----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:49:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.101138260000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.384121470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.930339189999998 Atomic positions (fractional): *1 S 0.75527293469358 0.45939444279894 0.36042319927812 32.065 2 S 0.25527293469358 0.04060555720106 0.63957680072189 32.065 3 S 0.74472706530642 0.54060555720106 0.86042319927811 32.065 4 S 0.24472706530642 0.95939444279894 0.13957680072188 32.065 5 S 0.24472706530642 0.54060555720106 0.63957680072189 32.065 6 S 0.74472706530642 0.95939444279894 0.36042319927812 32.065 7 S 0.25527293469358 0.45939444279894 0.13957680072188 32.065 8 S 0.75527293469358 0.04060555720106 0.86042319927811 32.065 *9 S 0.23577613793963 0.79299994183769 0.48562869148701 32.065 10 S 0.73577613793963 0.70700005816231 0.51437130851299 32.065 11 S 0.26422386206037 0.20700005816230 0.98562869148701 32.065 12 S 0.76422386206037 0.29299994183770 0.01437130851299 32.065 13 S 0.76422386206037 0.20700005816230 0.51437130851299 32.065 14 S 0.26422386206037 0.29299994183770 0.48562869148701 32.065 15 S 0.73577613793963 0.79299994183769 0.01437130851299 32.065 16 S 0.23577613793963 0.70700005816231 0.98562869148701 32.065 *17 S 0.42993184112953 0.56628158120958 0.38550517482920 32.065 *18 S 0.00573038941416 0.27928617917167 0.22185308978588 32.065 19 S 0.92993184112953 0.93371841879042 0.61449482517080 32.065 20 S 0.57006815887047 0.06628158120958 0.11449482517080 32.065 21 S 0.57006815887047 0.43371841879042 0.61449482517080 32.065 22 S 0.07006815887047 0.06628158120958 0.38550517482920 32.065 23 S 0.92993184112953 0.56628158120958 0.11449482517080 32.065 24 S 0.42993184112953 0.93371841879042 0.88550517482920 32.065 *25 S 0.90516317196242 0.02473981860992 0.12112002246364 32.065 26 S 0.40516317196242 0.47526018139008 0.87887997753636 32.065 27 S 0.59483682803758 0.97526018139008 0.62112002246364 32.065 28 S 0.09483682803758 0.52473981860992 0.37887997753636 32.065 29 S 0.09483682803758 0.97526018139008 0.87887997753636 32.065 30 S 0.59483682803758 0.52473981860992 0.12112002246364 32.065 31 S 0.40516317196242 0.02473981860992 0.37887997753636 32.065 32 S 0.90516317196242 0.47526018139008 0.62112002246364 32.065 33 S 0.00573038941416 0.22071382082833 0.72185308978588 32.065 34 S 0.50573038941416 0.27928617917167 0.27814691021412 32.065 35 S 0.49426961058584 0.77928617917167 0.22185308978588 32.065 36 S 0.99426961058584 0.72071382082833 0.77814691021412 32.065 37 S 0.99426961058584 0.77928617917167 0.27814691021412 32.065 38 S 0.49426961058584 0.72071382082833 0.72185308978588 32.065 39 S 0.50573038941416 0.22071382082833 0.77814691021412 32.065 40 S 0.07006815887047 0.43371841879042 0.88550517482920 32.065 *41 Ga 0.56010881028606 0.45093357916515 0.29775506955385 69.723 42 Ga 0.06010881028606 0.04906642083485 0.70224493044615 69.723 43 Ga 0.93989118971394 0.54906642083485 0.79775506955385 69.723 44 Ga 0.43989118971394 0.95093357916515 0.20224493044615 69.723 45 Ga 0.43989118971394 0.54906642083485 0.70224493044615 69.723 46 Ga 0.93989118971394 0.95093357916515 0.29775506955385 69.723 47 Ga 0.06010881028606 0.45093357916515 0.20224493044615 69.723 48 Ga 0.56010881028606 0.04906642083485 0.79775506955385 69.723 *49 Ga 0.77500180370664 0.02732902754100 0.53622756117792 69.723 50 Ga 0.27500180370664 0.47267097245900 0.46377243882208 69.723 51 Ga 0.72499819629336 0.97267097245900 0.03622756117792 69.723 52 Ga 0.22499819629336 0.52732902754100 0.96377243882208 69.723 53 Ga 0.22499819629336 0.97267097245900 0.46377243882208 69.723 54 Ga 0.72499819629336 0.52732902754100 0.53622756117792 69.723 55 Ga 0.27500180370664 0.02732902754100 0.96377243882208 69.723 56 Ga 0.77500180370664 0.47267097245900 0.03622756117792 69.723 *57 Sr 0.74793244915321 0.69092006605464 0.25493001450579 87.620 58 Sr 0.24793244915321 0.80907993394536 0.74506998549421 87.620 59 Sr 0.75206755084679 0.30907993394536 0.75493001450579 87.620 60 Sr 0.25206755084679 0.19092006605464 0.24506998549421 87.620 61 Sr 0.25206755084679 0.30907993394536 0.74506998549421 87.620 62 Sr 0.75206755084679 0.19092006605464 0.25493001450579 87.620 63 Sr 0.24793244915321 0.69092006605464 0.24506998549421 87.620 64 Sr 0.74793244915321 0.80907993394536 0.75493001450579 87.620 *65 Sr 0.49918407310735 0.80346560969093 0.47467975559156 87.620 66 Sr 0.99918407310735 0.69653439030907 0.52532024440844 87.620 67 Sr 0.00081592689265 0.19653439030907 0.97467975559156 87.620 68 Sr 0.50081592689265 0.30346560969093 0.02532024440844 87.620 69 Sr 0.50081592689265 0.19653439030907 0.52532024440844 87.620 70 Sr 0.00081592689265 0.30346560969093 0.47467975559156 87.620 71 Sr 0.99918407310735 0.80346560969093 0.02532024440844 87.620 72 Sr 0.49918407310735 0.69653439030907 0.97467975559156 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.101138260000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.384121470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.930339189999998 Atomic positions (fractional): *1 S 0.75527293469358 0.45939444279894 0.36042319927812 32.065 > 1 2 S 0.25527293469358 0.04060555720106 0.63957680072189 32.065 > 2 3 S 0.74472706530642 0.54060555720106 0.86042319927811 32.065 > 3 4 S 0.24472706530642 0.95939444279894 0.13957680072188 32.065 > 4 5 S 0.24472706530642 0.54060555720106 0.63957680072189 32.065 > 5 6 S 0.74472706530642 0.95939444279894 0.36042319927812 32.065 > 6 7 S 0.25527293469358 0.45939444279894 0.13957680072188 32.065 > 7 8 S 0.75527293469358 0.04060555720106 0.86042319927811 32.065 > 8 *9 S 0.23577613793963 0.79299994183769 0.48562869148701 32.065 > 9 10 S 0.73577613793963 0.70700005816231 0.51437130851299 32.065 > 10 11 S 0.26422386206037 0.20700005816230 0.98562869148701 32.065 > 11 12 S 0.76422386206037 0.29299994183770 0.01437130851299 32.065 > 12 13 S 0.76422386206037 0.20700005816230 0.51437130851299 32.065 > 13 14 S 0.26422386206037 0.29299994183770 0.48562869148701 32.065 > 14 15 S 0.73577613793963 0.79299994183769 0.01437130851299 32.065 > 15 16 S 0.23577613793963 0.70700005816231 0.98562869148701 32.065 > 16 *17 S 0.42993184112953 0.56628158120958 0.38550517482920 32.065 > 17 *18 S 0.00573038941416 0.27928617917167 0.22185308978588 32.065 > 18 19 S 0.92993184112953 0.93371841879042 0.61449482517080 32.065 > 19 20 S 0.57006815887047 0.06628158120958 0.11449482517080 32.065 > 20 21 S 0.57006815887047 0.43371841879042 0.61449482517080 32.065 > 21 22 S 0.07006815887047 0.06628158120958 0.38550517482920 32.065 > 22 23 S 0.92993184112953 0.56628158120958 0.11449482517080 32.065 > 23 24 S 0.42993184112953 0.93371841879042 0.88550517482920 32.065 > 24 *25 S 0.90516317196242 0.02473981860992 0.12112002246364 32.065 > 25 26 S 0.40516317196242 0.47526018139008 0.87887997753636 32.065 > 26 27 S 0.59483682803758 0.97526018139008 0.62112002246364 32.065 > 27 28 S 0.09483682803758 0.52473981860992 0.37887997753636 32.065 > 28 29 S 0.09483682803758 0.97526018139008 0.87887997753636 32.065 > 29 30 S 0.59483682803758 0.52473981860992 0.12112002246364 32.065 > 30 31 S 0.40516317196242 0.02473981860992 0.37887997753636 32.065 > 31 32 S 0.90516317196242 0.47526018139008 0.62112002246364 32.065 > 32 33 S 0.00573038941416 0.22071382082833 0.72185308978588 32.065 > 33 34 S 0.50573038941416 0.27928617917167 0.27814691021412 32.065 > 34 35 S 0.49426961058584 0.77928617917167 0.22185308978588 32.065 > 35 36 S 0.99426961058584 0.72071382082833 0.77814691021412 32.065 > 36 37 S 0.99426961058584 0.77928617917167 0.27814691021412 32.065 > 37 38 S 0.49426961058584 0.72071382082833 0.72185308978588 32.065 > 38 39 S 0.50573038941416 0.22071382082833 0.77814691021412 32.065 > 39 40 S 0.07006815887047 0.43371841879042 0.88550517482920 32.065 > 40 *41 Ga 0.56010881028606 0.45093357916515 0.29775506955385 69.723 > 41 42 Ga 0.06010881028606 0.04906642083485 0.70224493044615 69.723 > 42 43 Ga 0.93989118971394 0.54906642083485 0.79775506955385 69.723 > 43 44 Ga 0.43989118971394 0.95093357916515 0.20224493044615 69.723 > 44 45 Ga 0.43989118971394 0.54906642083485 0.70224493044615 69.723 > 45 46 Ga 0.93989118971394 0.95093357916515 0.29775506955385 69.723 > 46 47 Ga 0.06010881028606 0.45093357916515 0.20224493044615 69.723 > 47 48 Ga 0.56010881028606 0.04906642083485 0.79775506955385 69.723 > 48 *49 Ga 0.77500180370664 0.02732902754100 0.53622756117792 69.723 > 49 50 Ga 0.27500180370664 0.47267097245900 0.46377243882208 69.723 > 50 51 Ga 0.72499819629336 0.97267097245900 0.03622756117792 69.723 > 51 52 Ga 0.22499819629336 0.52732902754100 0.96377243882208 69.723 > 52 53 Ga 0.22499819629336 0.97267097245900 0.46377243882208 69.723 > 53 54 Ga 0.72499819629336 0.52732902754100 0.53622756117792 69.723 > 54 55 Ga 0.27500180370664 0.02732902754100 0.96377243882208 69.723 > 55 56 Ga 0.77500180370664 0.47267097245900 0.03622756117792 69.723 > 56 *57 Sr 0.74793244915321 0.69092006605464 0.25493001450579 87.620 > 57 58 Sr 0.24793244915321 0.80907993394536 0.74506998549421 87.620 > 58 59 Sr 0.75206755084679 0.30907993394536 0.75493001450579 87.620 > 59 60 Sr 0.25206755084679 0.19092006605464 0.24506998549421 87.620 > 60 61 Sr 0.25206755084679 0.30907993394536 0.74506998549421 87.620 > 61 62 Sr 0.75206755084679 0.19092006605464 0.25493001450579 87.620 > 62 63 Sr 0.24793244915321 0.69092006605464 0.24506998549421 87.620 > 63 64 Sr 0.74793244915321 0.80907993394536 0.75493001450579 87.620 > 64 *65 Sr 0.49918407310735 0.80346560969093 0.47467975559156 87.620 > 65 66 Sr 0.99918407310735 0.69653439030907 0.52532024440844 87.620 > 66 67 Sr 0.00081592689265 0.19653439030907 0.97467975559156 87.620 > 67 68 Sr 0.50081592689265 0.30346560969093 0.02532024440844 87.620 > 68 69 Sr 0.50081592689265 0.19653439030907 0.52532024440844 87.620 > 69 70 Sr 0.00081592689265 0.30346560969093 0.47467975559156 87.620 > 70 71 Sr 0.99918407310735 0.80346560969093 0.02532024440844 87.620 > 71 72 Sr 0.49918407310735 0.69653439030907 0.97467975559156 87.620 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 22.202276520000002 0.000000000000000 0.000000000000000 b 0.000000000000000 12.384121470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.930339189999998 Atomic positions (fractional): *1 S 0.37763646734679 0.45939444279894 0.36042319927812 32.065 > 1 2 S 0.87763646734679 0.45939444279894 0.36042319927812 32.065 > 1 3 S 0.12763646734679 0.04060555720106 0.63957680072189 32.065 > 2 4 S 0.62763646734679 0.04060555720106 0.63957680072189 32.065 > 2 5 S 0.37236353265321 0.54060555720106 0.86042319927811 32.065 > 3 6 S 0.87236353265321 0.54060555720106 0.86042319927811 32.065 > 3 7 S 0.12236353265321 0.95939444279894 0.13957680072188 32.065 > 4 8 S 0.62236353265321 0.95939444279894 0.13957680072188 32.065 > 4 9 S 0.12236353265321 0.54060555720106 0.63957680072189 32.065 > 5 10 S 0.62236353265321 0.54060555720106 0.63957680072189 32.065 > 5 11 S 0.37236353265321 0.95939444279894 0.36042319927812 32.065 > 6 12 S 0.87236353265321 0.95939444279894 0.36042319927812 32.065 > 6 13 S 0.12763646734679 0.45939444279894 0.13957680072188 32.065 > 7 14 S 0.62763646734679 0.45939444279894 0.13957680072188 32.065 > 7 15 S 0.37763646734679 0.04060555720106 0.86042319927811 32.065 > 8 16 S 0.87763646734679 0.04060555720106 0.86042319927811 32.065 > 8 *17 S 0.11788806896982 0.79299994183769 0.48562869148701 32.065 > 9 18 S 0.61788806896982 0.79299994183769 0.48562869148701 32.065 > 9 19 S 0.36788806896982 0.70700005816231 0.51437130851299 32.065 > 10 20 S 0.86788806896982 0.70700005816231 0.51437130851299 32.065 > 10 21 S 0.13211193103018 0.20700005816230 0.98562869148701 32.065 > 11 22 S 0.63211193103018 0.20700005816230 0.98562869148701 32.065 > 11 23 S 0.38211193103018 0.29299994183770 0.01437130851299 32.065 > 12 24 S 0.88211193103018 0.29299994183770 0.01437130851299 32.065 > 12 25 S 0.38211193103018 0.20700005816230 0.51437130851299 32.065 > 13 26 S 0.88211193103018 0.20700005816230 0.51437130851299 32.065 > 13 27 S 0.13211193103018 0.29299994183770 0.48562869148701 32.065 > 14 28 S 0.63211193103018 0.29299994183770 0.48562869148701 32.065 > 14 29 S 0.36788806896982 0.79299994183769 0.01437130851299 32.065 > 15 30 S 0.86788806896982 0.79299994183769 0.01437130851299 32.065 > 15 31 S 0.11788806896982 0.70700005816231 0.98562869148701 32.065 > 16 32 S 0.61788806896982 0.70700005816231 0.98562869148701 32.065 > 16 *33 S 0.21496592056477 0.56628158120958 0.38550517482920 32.065 > 17 34 S 0.71496592056477 0.56628158120958 0.38550517482920 32.065 > 17 *35 S 0.00286519470708 0.27928617917167 0.22185308978588 32.065 > 18 36 S 0.50286519470708 0.27928617917167 0.22185308978588 32.065 > 18 37 S 0.46496592056477 0.93371841879042 0.61449482517080 32.065 > 19 38 S 0.96496592056477 0.93371841879042 0.61449482517080 32.065 > 19 39 S 0.28503407943523 0.06628158120958 0.11449482517080 32.065 > 20 40 S 0.78503407943523 0.06628158120958 0.11449482517080 32.065 > 20 41 S 0.28503407943523 0.43371841879042 0.61449482517080 32.065 > 21 42 S 0.78503407943523 0.43371841879042 0.61449482517080 32.065 > 21 43 S 0.03503407943523 0.06628158120958 0.38550517482920 32.065 > 22 44 S 0.53503407943523 0.06628158120958 0.38550517482920 32.065 > 22 45 S 0.46496592056477 0.56628158120958 0.11449482517080 32.065 > 23 46 S 0.96496592056477 0.56628158120958 0.11449482517080 32.065 > 23 47 S 0.21496592056477 0.93371841879042 0.88550517482920 32.065 > 24 48 S 0.71496592056477 0.93371841879042 0.88550517482920 32.065 > 24 *49 S 0.45258158598121 0.02473981860992 0.12112002246364 32.065 > 25 50 S 0.95258158598121 0.02473981860992 0.12112002246364 32.065 > 25 51 S 0.20258158598121 0.47526018139008 0.87887997753636 32.065 > 26 52 S 0.70258158598121 0.47526018139008 0.87887997753636 32.065 > 26 53 S 0.29741841401879 0.97526018139008 0.62112002246364 32.065 > 27 54 S 0.79741841401879 0.97526018139008 0.62112002246364 32.065 > 27 55 S 0.04741841401879 0.52473981860992 0.37887997753636 32.065 > 28 56 S 0.54741841401879 0.52473981860992 0.37887997753636 32.065 > 28 57 S 0.04741841401879 0.97526018139008 0.87887997753636 32.065 > 29 58 S 0.54741841401879 0.97526018139008 0.87887997753636 32.065 > 29 59 S 0.29741841401879 0.52473981860992 0.12112002246364 32.065 > 30 60 S 0.79741841401879 0.52473981860992 0.12112002246364 32.065 > 30 61 S 0.20258158598121 0.02473981860992 0.37887997753636 32.065 > 31 62 S 0.70258158598121 0.02473981860992 0.37887997753636 32.065 > 31 63 S 0.45258158598121 0.47526018139008 0.62112002246364 32.065 > 32 64 S 0.95258158598121 0.47526018139008 0.62112002246364 32.065 > 32 65 S 0.00286519470708 0.22071382082833 0.72185308978588 32.065 > 33 66 S 0.50286519470708 0.22071382082833 0.72185308978588 32.065 > 33 67 S 0.25286519470708 0.27928617917167 0.27814691021412 32.065 > 34 68 S 0.75286519470708 0.27928617917167 0.27814691021412 32.065 > 34 69 S 0.24713480529292 0.77928617917167 0.22185308978588 32.065 > 35 70 S 0.74713480529292 0.77928617917167 0.22185308978588 32.065 > 35 71 S 0.49713480529292 0.72071382082833 0.77814691021412 32.065 > 36 72 S 0.99713480529292 0.72071382082833 0.77814691021412 32.065 > 36 73 S 0.49713480529292 0.77928617917167 0.27814691021412 32.065 > 37 74 S 0.99713480529292 0.77928617917167 0.27814691021412 32.065 > 37 75 S 0.24713480529292 0.72071382082833 0.72185308978588 32.065 > 38 76 S 0.74713480529292 0.72071382082833 0.72185308978588 32.065 > 38 77 S 0.25286519470708 0.22071382082833 0.77814691021412 32.065 > 39 78 S 0.75286519470708 0.22071382082833 0.77814691021412 32.065 > 39 79 S 0.03503407943523 0.43371841879042 0.88550517482920 32.065 > 40 80 S 0.53503407943523 0.43371841879042 0.88550517482920 32.065 > 40 *81 Ga 0.28005440514303 0.45093357916515 0.29775506955385 69.723 > 41 82 Ga 0.78005440514303 0.45093357916515 0.29775506955385 69.723 > 41 83 Ga 0.03005440514303 0.04906642083485 0.70224493044615 69.723 > 42 84 Ga 0.53005440514303 0.04906642083485 0.70224493044615 69.723 > 42 85 Ga 0.46994559485697 0.54906642083485 0.79775506955385 69.723 > 43 86 Ga 0.96994559485697 0.54906642083485 0.79775506955385 69.723 > 43 87 Ga 0.21994559485697 0.95093357916515 0.20224493044615 69.723 > 44 88 Ga 0.71994559485697 0.95093357916515 0.20224493044615 69.723 > 44 89 Ga 0.21994559485697 0.54906642083485 0.70224493044615 69.723 > 45 90 Ga 0.71994559485697 0.54906642083485 0.70224493044615 69.723 > 45 91 Ga 0.46994559485697 0.95093357916515 0.29775506955385 69.723 > 46 92 Ga 0.96994559485697 0.95093357916515 0.29775506955385 69.723 > 46 93 Ga 0.03005440514303 0.45093357916515 0.20224493044615 69.723 > 47 94 Ga 0.53005440514303 0.45093357916515 0.20224493044615 69.723 > 47 95 Ga 0.28005440514303 0.04906642083485 0.79775506955385 69.723 > 48 96 Ga 0.78005440514303 0.04906642083485 0.79775506955385 69.723 > 48 *97 Ga 0.38750090185332 0.02732902754100 0.53622756117792 69.723 > 49 98 Ga 0.88750090185332 0.02732902754100 0.53622756117792 69.723 > 49 99 Ga 0.13750090185332 0.47267097245900 0.46377243882208 69.723 > 50 100 Ga 0.63750090185332 0.47267097245900 0.46377243882208 69.723 > 50 101 Ga 0.36249909814668 0.97267097245900 0.03622756117792 69.723 > 51 102 Ga 0.86249909814668 0.97267097245900 0.03622756117792 69.723 > 51 103 Ga 0.11249909814668 0.52732902754100 0.96377243882208 69.723 > 52 104 Ga 0.61249909814668 0.52732902754100 0.96377243882208 69.723 > 52 105 Ga 0.11249909814668 0.97267097245900 0.46377243882208 69.723 > 53 106 Ga 0.61249909814668 0.97267097245900 0.46377243882208 69.723 > 53 107 Ga 0.36249909814668 0.52732902754100 0.53622756117792 69.723 > 54 108 Ga 0.86249909814668 0.52732902754100 0.53622756117792 69.723 > 54 109 Ga 0.13750090185332 0.02732902754100 0.96377243882208 69.723 > 55 110 Ga 0.63750090185332 0.02732902754100 0.96377243882208 69.723 > 55 111 Ga 0.38750090185332 0.47267097245900 0.03622756117792 69.723 > 56 112 Ga 0.88750090185332 0.47267097245900 0.03622756117792 69.723 > 56 *113 Sr 0.37396622457660 0.69092006605464 0.25493001450579 87.620 > 57 114 Sr 0.87396622457660 0.69092006605464 0.25493001450579 87.620 > 57 115 Sr 0.12396622457660 0.80907993394536 0.74506998549421 87.620 > 58 116 Sr 0.62396622457660 0.80907993394536 0.74506998549421 87.620 > 58 117 Sr 0.37603377542340 0.30907993394536 0.75493001450579 87.620 > 59 118 Sr 0.87603377542340 0.30907993394536 0.75493001450579 87.620 > 59 119 Sr 0.12603377542340 0.19092006605464 0.24506998549421 87.620 > 60 120 Sr 0.62603377542340 0.19092006605464 0.24506998549421 87.620 > 60 121 Sr 0.12603377542340 0.30907993394536 0.74506998549421 87.620 > 61 122 Sr 0.62603377542340 0.30907993394536 0.74506998549421 87.620 > 61 123 Sr 0.37603377542340 0.19092006605464 0.25493001450579 87.620 > 62 124 Sr 0.87603377542340 0.19092006605464 0.25493001450579 87.620 > 62 125 Sr 0.12396622457660 0.69092006605464 0.24506998549421 87.620 > 63 126 Sr 0.62396622457660 0.69092006605464 0.24506998549421 87.620 > 63 127 Sr 0.37396622457660 0.80907993394536 0.75493001450579 87.620 > 64 128 Sr 0.87396622457660 0.80907993394536 0.75493001450579 87.620 > 64 *129 Sr 0.24959203655367 0.80346560969093 0.47467975559156 87.620 > 65 130 Sr 0.74959203655367 0.80346560969093 0.47467975559156 87.620 > 65 131 Sr 0.49959203655367 0.69653439030907 0.52532024440844 87.620 > 66 132 Sr 0.99959203655367 0.69653439030907 0.52532024440844 87.620 > 66 133 Sr 0.00040796344633 0.19653439030907 0.97467975559156 87.620 > 67 134 Sr 0.50040796344633 0.19653439030907 0.97467975559156 87.620 > 67 135 Sr 0.25040796344633 0.30346560969093 0.02532024440844 87.620 > 68 136 Sr 0.75040796344633 0.30346560969093 0.02532024440844 87.620 > 68 137 Sr 0.25040796344633 0.19653439030907 0.52532024440844 87.620 > 69 138 Sr 0.75040796344633 0.19653439030907 0.52532024440844 87.620 > 69 139 Sr 0.00040796344633 0.30346560969093 0.47467975559156 87.620 > 70 140 Sr 0.50040796344633 0.30346560969093 0.47467975559156 87.620 > 70 141 Sr 0.49959203655367 0.80346560969093 0.02532024440844 87.620 > 71 142 Sr 0.99959203655367 0.80346560969093 0.02532024440844 87.620 > 71 143 Sr 0.24959203655367 0.69653439030907 0.97467975559156 87.620 > 72 144 Sr 0.74959203655367 0.69653439030907 0.97467975559156 87.620 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6664192 0.0000000 0.0000000 0.0000000 5.6996282 0.0000000 0.0000000 0.0000000 5.6744422 -------------------------- Born effective charges -------------------------- 1 S -1.9953657 0.0249987 -0.3184735 -0.0166515 -1.7691200 -0.3032516 -0.6240123 -0.2562958 -2.3322510 2 S -1.9953657 -0.0249987 0.3184735 0.0166515 -1.7691200 -0.3032516 0.6240123 -0.2562958 -2.3322510 3 S -1.9953657 0.0249987 0.3184735 -0.0166515 -1.7691200 0.3032516 0.6240123 0.2562958 -2.3322510 4 S -1.9953657 -0.0249987 -0.3184735 0.0166515 -1.7691200 0.3032516 -0.6240123 0.2562958 -2.3322510 5 S -1.9953657 0.0249987 -0.3184735 -0.0166515 -1.7691200 -0.3032516 -0.6240123 -0.2562958 -2.3322510 6 S -1.9953657 -0.0249987 0.3184735 0.0166515 -1.7691200 -0.3032516 0.6240123 -0.2562958 -2.3322510 7 S -1.9953657 0.0249987 0.3184735 -0.0166515 -1.7691200 0.3032516 0.6240123 0.2562958 -2.3322510 8 S -1.9953657 -0.0249987 -0.3184735 0.0166515 -1.7691200 0.3032516 -0.6240123 0.2562958 -2.3322510 9 S -2.0223121 -0.0446549 0.1847888 -0.0261842 -2.2626430 0.0072377 0.1159121 -0.0957837 -1.8653147 10 S -2.0223121 0.0446549 -0.1847888 0.0261842 -2.2626430 0.0072377 -0.1159121 -0.0957837 -1.8653147 11 S -2.0223121 -0.0446549 -0.1847888 -0.0261842 -2.2626430 -0.0072377 -0.1159121 0.0957837 -1.8653147 12 S -2.0223121 0.0446549 0.1847888 0.0261842 -2.2626430 -0.0072377 0.1159121 0.0957837 -1.8653147 13 S -2.0223121 -0.0446549 0.1847888 -0.0261842 -2.2626430 0.0072377 0.1159121 -0.0957837 -1.8653147 14 S -2.0223121 0.0446549 -0.1847888 0.0261842 -2.2626430 0.0072377 -0.1159121 -0.0957837 -1.8653147 15 S -2.0223121 -0.0446549 -0.1847888 -0.0261842 -2.2626430 -0.0072377 -0.1159121 0.0957837 -1.8653147 16 S -2.0223121 0.0446549 0.1847888 0.0261842 -2.2626430 -0.0072377 0.1159121 0.0957837 -1.8653147 17 S -2.4704931 0.0502992 0.4781665 0.0552962 -1.8851251 -0.1326619 0.4855201 -0.1372665 -1.5626710 18 S -1.9351243 -0.2096235 0.0910025 -0.2610835 -2.2186051 0.0747776 0.2644655 0.0257197 -1.9398428 19 S -2.4704931 -0.0502992 -0.4781665 -0.0552962 -1.8851251 -0.1326619 -0.4855201 -0.1372665 -1.5626710 20 S -2.4704931 -0.0502992 0.4781665 -0.0552962 -1.8851251 0.1326619 0.4855201 0.1372665 -1.5626710 21 S -2.4704931 0.0502992 0.4781665 0.0552962 -1.8851251 -0.1326619 0.4855201 -0.1372665 -1.5626710 22 S -2.4704931 -0.0502992 -0.4781665 -0.0552962 -1.8851251 -0.1326619 -0.4855201 -0.1372665 -1.5626710 23 S -2.4704931 0.0502992 -0.4781665 0.0552962 -1.8851251 0.1326619 -0.4855201 0.1372665 -1.5626710 24 S -2.4704931 -0.0502992 0.4781665 -0.0552962 -1.8851251 0.1326619 0.4855201 0.1372665 -1.5626710 25 S -2.1422667 0.0180134 -0.4299132 -0.0520383 -1.8815955 0.2003726 -0.3539781 0.2559847 -2.5929179 26 S -2.1422667 -0.0180134 0.4299132 0.0520383 -1.8815955 0.2003726 0.3539781 0.2559847 -2.5929179 27 S -2.1422667 0.0180134 0.4299132 -0.0520383 -1.8815955 -0.2003726 0.3539781 -0.2559847 -2.5929179 28 S -2.1422667 -0.0180134 -0.4299132 0.0520383 -1.8815955 -0.2003726 -0.3539781 -0.2559847 -2.5929179 29 S -2.1422667 0.0180134 -0.4299132 -0.0520383 -1.8815955 0.2003726 -0.3539781 0.2559847 -2.5929179 30 S -2.1422667 -0.0180134 0.4299132 0.0520383 -1.8815955 0.2003726 0.3539781 0.2559847 -2.5929179 31 S -2.1422667 0.0180134 0.4299132 -0.0520383 -1.8815955 -0.2003726 0.3539781 -0.2559847 -2.5929179 32 S -2.1422667 -0.0180134 -0.4299132 0.0520383 -1.8815955 -0.2003726 -0.3539781 -0.2559847 -2.5929179 33 S -1.9351243 0.2096235 0.0910025 0.2610835 -2.2186051 -0.0747776 0.2644655 -0.0257197 -1.9398428 34 S -1.9351243 -0.2096235 -0.0910025 -0.2610835 -2.2186051 -0.0747776 -0.2644655 -0.0257197 -1.9398428 35 S -1.9351243 0.2096235 -0.0910025 0.2610835 -2.2186051 0.0747776 -0.2644655 0.0257197 -1.9398428 36 S -1.9351243 -0.2096235 0.0910025 -0.2610835 -2.2186051 0.0747776 0.2644655 0.0257197 -1.9398428 37 S -1.9351243 0.2096235 0.0910025 0.2610835 -2.2186051 -0.0747776 0.2644655 -0.0257197 -1.9398428 38 S -1.9351243 -0.2096235 -0.0910025 -0.2610835 -2.2186051 -0.0747776 -0.2644655 -0.0257197 -1.9398428 39 S -1.9351243 0.2096235 -0.0910025 0.2610835 -2.2186051 0.0747776 -0.2644655 0.0257197 -1.9398428 40 S -2.4704931 0.0502992 -0.4781665 0.0552962 -1.8851251 0.1326619 -0.4855201 0.1372665 -1.5626710 41 Ga 2.6782658 -0.1012389 -0.5035750 0.1438127 2.4000277 0.0234955 0.4152223 0.0595273 2.6690367 42 Ga 2.6782658 0.1012389 0.5035750 -0.1438127 2.4000277 0.0234955 -0.4152223 0.0595273 2.6690367 43 Ga 2.6782658 -0.1012389 0.5035750 0.1438127 2.4000277 -0.0234955 -0.4152223 -0.0595273 2.6690367 44 Ga 2.6782658 0.1012389 -0.5035750 -0.1438127 2.4000277 -0.0234955 0.4152223 -0.0595273 2.6690367 45 Ga 2.6782658 -0.1012389 -0.5035750 0.1438127 2.4000277 0.0234955 0.4152223 0.0595273 2.6690367 46 Ga 2.6782658 0.1012389 0.5035750 -0.1438127 2.4000277 0.0234955 -0.4152223 0.0595273 2.6690367 47 Ga 2.6782658 -0.1012389 0.5035750 0.1438127 2.4000277 -0.0234955 -0.4152223 -0.0595273 2.6690367 48 Ga 2.6782658 0.1012389 -0.5035750 -0.1438127 2.4000277 -0.0234955 0.4152223 -0.0595273 2.6690367 49 Ga 2.7110900 -0.3689451 -0.2737458 -0.0858067 2.3650191 0.0198143 -0.1315058 -0.1840237 2.5711895 50 Ga 2.7110900 0.3689451 0.2737458 0.0858067 2.3650191 0.0198143 0.1315058 -0.1840237 2.5711895 51 Ga 2.7110900 -0.3689451 0.2737458 -0.0858067 2.3650191 -0.0198143 0.1315058 0.1840237 2.5711895 52 Ga 2.7110900 0.3689451 -0.2737458 0.0858067 2.3650191 -0.0198143 -0.1315058 0.1840237 2.5711895 53 Ga 2.7110900 -0.3689451 -0.2737458 -0.0858067 2.3650191 0.0198143 -0.1315058 -0.1840237 2.5711895 54 Ga 2.7110900 0.3689451 0.2737458 0.0858067 2.3650191 0.0198143 0.1315058 -0.1840237 2.5711895 55 Ga 2.7110900 -0.3689451 0.2737458 -0.0858067 2.3650191 -0.0198143 0.1315058 0.1840237 2.5711895 56 Ga 2.7110900 0.3689451 -0.2737458 0.0858067 2.3650191 -0.0198143 -0.1315058 0.1840237 2.5711895 57 Sr 2.4887412 0.1366177 -0.0354044 0.0214175 2.6833694 -0.0934834 0.0296881 0.0125574 2.4721942 58 Sr 2.4887412 -0.1366177 0.0354044 -0.0214175 2.6833694 -0.0934834 -0.0296881 0.0125574 2.4721942 59 Sr 2.4887412 0.1366177 0.0354044 0.0214175 2.6833694 0.0934834 -0.0296881 -0.0125574 2.4721942 60 Sr 2.4887412 -0.1366177 -0.0354044 -0.0214175 2.6833694 0.0934834 0.0296881 -0.0125574 2.4721942 61 Sr 2.4887412 0.1366177 -0.0354044 0.0214175 2.6833694 -0.0934834 0.0296881 0.0125574 2.4721942 62 Sr 2.4887412 -0.1366177 0.0354044 -0.0214175 2.6833694 -0.0934834 -0.0296881 0.0125574 2.4721942 63 Sr 2.4887412 0.1366177 0.0354044 0.0214175 2.6833694 0.0934834 -0.0296881 -0.0125574 2.4721942 64 Sr 2.4887412 -0.1366177 -0.0354044 -0.0214175 2.6833694 0.0934834 0.0296881 -0.0125574 2.4721942 65 Sr 2.6874649 0.0543331 0.2554154 -0.2150865 2.5686726 -0.1373943 0.4623237 0.0416673 2.5805770 66 Sr 2.6874649 -0.0543331 -0.2554154 0.2150865 2.5686726 -0.1373943 -0.4623237 0.0416673 2.5805770 67 Sr 2.6874649 0.0543331 -0.2554154 -0.2150865 2.5686726 0.1373943 -0.4623237 -0.0416673 2.5805770 68 Sr 2.6874649 -0.0543331 0.2554154 0.2150865 2.5686726 0.1373943 0.4623237 -0.0416673 2.5805770 69 Sr 2.6874649 0.0543331 0.2554154 -0.2150865 2.5686726 -0.1373943 0.4623237 0.0416673 2.5805770 70 Sr 2.6874649 -0.0543331 -0.2554154 0.2150865 2.5686726 -0.1373943 -0.4623237 0.0416673 2.5805770 71 Sr 2.6874649 0.0543331 -0.2554154 -0.2150865 2.5686726 0.1373943 -0.4623237 -0.0416673 2.5805770 72 Sr 2.6874649 -0.0543331 0.2554154 0.2150865 2.5686726 0.1373943 0.4623237 -0.0416673 2.5805770 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 53 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 53 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5913), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 35), data: (1296, 53) @ (53, 35) |-- (296, 278), data: True |-- (500, 483), data: False |-- (500, 11), data: (500, 28) @ (28, 11) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 280), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 236), data: True |-- (250, 238), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 35), data: (1296, 53) @ (53, 35) |-- (296, 278), data: True |-- (500, 483), data: False |-- (500, 10), data: (500, 27) @ (27, 10) |-- (250, 233), data: True |-- (250, 240), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.821 Solver_block: 200 / 1120 - Time: 1.624 Solver_block: 300 / 1120 - Time: 1.620 Solver_block: 400 / 1120 - Time: 1.617 Solver_block: 500 / 1120 - Time: 1.617 Solver_block: 600 / 1120 - Time: 1.621 Solver_block: 700 / 1120 - Time: 1.617 Solver_block: 800 / 1120 - Time: 1.621 Solver_block: 900 / 1120 - Time: 1.616 Solver_block: 1000 / 1120 - Time: 1.615 Solver_block: 1100 / 1120 - Time: 1.618 Solver_block: 1120 / 1120 - Time: 0.505 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.016 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 53 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 53 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5913), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 35), data: (1296, 53) @ (53, 35) |-- (296, 278), data: True |-- (500, 483), data: False |-- (500, 11), data: (500, 28) @ (28, 11) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 280), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 236), data: True |-- (250, 238), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 35), data: (1296, 53) @ (53, 35) |-- (296, 278), data: True |-- (500, 483), data: False |-- (500, 10), data: (500, 27) @ (27, 10) |-- (250, 233), data: True |-- (250, 240), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:51:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:51:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.101138260000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.384121470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.930339189999998 Atomic positions (fractional): 1 S 0.75527293469358 0.45939444279894 0.36042319927812 32.065 2 S 0.25527293469358 0.04060555720106 0.63957680072189 32.065 3 S 0.74472706530642 0.54060555720106 0.86042319927811 32.065 4 S 0.24472706530642 0.95939444279894 0.13957680072188 32.065 5 S 0.24472706530642 0.54060555720106 0.63957680072189 32.065 6 S 0.74472706530642 0.95939444279894 0.36042319927812 32.065 7 S 0.25527293469358 0.45939444279894 0.13957680072188 32.065 8 S 0.75527293469358 0.04060555720106 0.86042319927811 32.065 9 S 0.23577613793963 0.79299994183769 0.48562869148701 32.065 10 S 0.73577613793963 0.70700005816231 0.51437130851299 32.065 11 S 0.26422386206037 0.20700005816230 0.98562869148701 32.065 12 S 0.76422386206037 0.29299994183770 0.01437130851299 32.065 13 S 0.76422386206037 0.20700005816230 0.51437130851299 32.065 14 S 0.26422386206037 0.29299994183770 0.48562869148701 32.065 15 S 0.73577613793963 0.79299994183769 0.01437130851299 32.065 16 S 0.23577613793963 0.70700005816231 0.98562869148701 32.065 17 S 0.42993184112953 0.56628158120958 0.38550517482920 32.065 18 S 0.00573038941416 0.27928617917167 0.22185308978588 32.065 19 S 0.92993184112953 0.93371841879042 0.61449482517080 32.065 20 S 0.57006815887047 0.06628158120958 0.11449482517080 32.065 21 S 0.57006815887047 0.43371841879042 0.61449482517080 32.065 22 S 0.07006815887047 0.06628158120958 0.38550517482920 32.065 23 S 0.92993184112953 0.56628158120958 0.11449482517080 32.065 24 S 0.42993184112953 0.93371841879042 0.88550517482920 32.065 25 S 0.90516317196242 0.02473981860992 0.12112002246364 32.065 26 S 0.40516317196242 0.47526018139008 0.87887997753636 32.065 27 S 0.59483682803758 0.97526018139008 0.62112002246364 32.065 28 S 0.09483682803758 0.52473981860992 0.37887997753636 32.065 29 S 0.09483682803758 0.97526018139008 0.87887997753636 32.065 30 S 0.59483682803758 0.52473981860992 0.12112002246364 32.065 31 S 0.40516317196242 0.02473981860992 0.37887997753636 32.065 32 S 0.90516317196242 0.47526018139008 0.62112002246364 32.065 33 S 0.00573038941416 0.22071382082833 0.72185308978588 32.065 34 S 0.50573038941416 0.27928617917167 0.27814691021412 32.065 35 S 0.49426961058584 0.77928617917167 0.22185308978588 32.065 36 S 0.99426961058584 0.72071382082833 0.77814691021412 32.065 37 S 0.99426961058584 0.77928617917167 0.27814691021412 32.065 38 S 0.49426961058584 0.72071382082833 0.72185308978588 32.065 39 S 0.50573038941416 0.22071382082833 0.77814691021412 32.065 40 S 0.07006815887047 0.43371841879042 0.88550517482920 32.065 41 Ga 0.56010881028606 0.45093357916515 0.29775506955385 69.723 42 Ga 0.06010881028606 0.04906642083485 0.70224493044615 69.723 43 Ga 0.93989118971394 0.54906642083485 0.79775506955385 69.723 44 Ga 0.43989118971394 0.95093357916515 0.20224493044615 69.723 45 Ga 0.43989118971394 0.54906642083485 0.70224493044615 69.723 46 Ga 0.93989118971394 0.95093357916515 0.29775506955385 69.723 47 Ga 0.06010881028606 0.45093357916515 0.20224493044615 69.723 48 Ga 0.56010881028606 0.04906642083485 0.79775506955385 69.723 49 Ga 0.77500180370664 0.02732902754100 0.53622756117792 69.723 50 Ga 0.27500180370664 0.47267097245900 0.46377243882208 69.723 51 Ga 0.72499819629336 0.97267097245900 0.03622756117792 69.723 52 Ga 0.22499819629336 0.52732902754100 0.96377243882208 69.723 53 Ga 0.22499819629336 0.97267097245900 0.46377243882208 69.723 54 Ga 0.72499819629336 0.52732902754100 0.53622756117792 69.723 55 Ga 0.27500180370664 0.02732902754100 0.96377243882208 69.723 56 Ga 0.77500180370664 0.47267097245900 0.03622756117792 69.723 57 Sr 0.74793244915321 0.69092006605464 0.25493001450579 87.620 58 Sr 0.24793244915321 0.80907993394536 0.74506998549421 87.620 59 Sr 0.75206755084679 0.30907993394536 0.75493001450579 87.620 60 Sr 0.25206755084679 0.19092006605464 0.24506998549421 87.620 61 Sr 0.25206755084679 0.30907993394536 0.74506998549421 87.620 62 Sr 0.75206755084679 0.19092006605464 0.25493001450579 87.620 63 Sr 0.24793244915321 0.69092006605464 0.24506998549421 87.620 64 Sr 0.74793244915321 0.80907993394536 0.75493001450579 87.620 65 Sr 0.49918407310735 0.80346560969093 0.47467975559156 87.620 66 Sr 0.99918407310735 0.69653439030907 0.52532024440844 87.620 67 Sr 0.00081592689265 0.19653439030907 0.97467975559156 87.620 68 Sr 0.50081592689265 0.30346560969093 0.02532024440844 87.620 69 Sr 0.50081592689265 0.19653439030907 0.52532024440844 87.620 70 Sr 0.00081592689265 0.30346560969093 0.47467975559156 87.620 71 Sr 0.99918407310735 0.80346560969093 0.02532024440844 87.620 72 Sr 0.49918407310735 0.69653439030907 0.97467975559156 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.202276520000002 0.000000000000000 0.000000000000000 b 0.000000000000000 12.384121470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.930339189999998 Atomic positions (fractional): 1 S 0.37763646734679 0.45939444279894 0.36042319927812 32.065 > 1 2 S 0.87763646734679 0.45939444279894 0.36042319927812 32.065 > 1 3 S 0.12763646734679 0.04060555720106 0.63957680072189 32.065 > 3 4 S 0.62763646734679 0.04060555720106 0.63957680072189 32.065 > 3 5 S 0.37236353265321 0.54060555720106 0.86042319927811 32.065 > 5 6 S 0.87236353265321 0.54060555720106 0.86042319927811 32.065 > 5 7 S 0.12236353265321 0.95939444279894 0.13957680072188 32.065 > 7 8 S 0.62236353265321 0.95939444279894 0.13957680072188 32.065 > 7 9 S 0.12236353265321 0.54060555720106 0.63957680072189 32.065 > 9 10 S 0.62236353265321 0.54060555720106 0.63957680072189 32.065 > 9 11 S 0.37236353265321 0.95939444279894 0.36042319927812 32.065 > 11 12 S 0.87236353265321 0.95939444279894 0.36042319927812 32.065 > 11 13 S 0.12763646734679 0.45939444279894 0.13957680072188 32.065 > 13 14 S 0.62763646734679 0.45939444279894 0.13957680072188 32.065 > 13 15 S 0.37763646734679 0.04060555720106 0.86042319927811 32.065 > 15 16 S 0.87763646734679 0.04060555720106 0.86042319927811 32.065 > 15 17 S 0.11788806896982 0.79299994183769 0.48562869148701 32.065 > 17 18 S 0.61788806896982 0.79299994183769 0.48562869148701 32.065 > 17 19 S 0.36788806896982 0.70700005816231 0.51437130851299 32.065 > 19 20 S 0.86788806896982 0.70700005816231 0.51437130851299 32.065 > 19 21 S 0.13211193103018 0.20700005816230 0.98562869148701 32.065 > 21 22 S 0.63211193103018 0.20700005816230 0.98562869148701 32.065 > 21 23 S 0.38211193103018 0.29299994183770 0.01437130851299 32.065 > 23 24 S 0.88211193103018 0.29299994183770 0.01437130851299 32.065 > 23 25 S 0.38211193103018 0.20700005816230 0.51437130851299 32.065 > 25 26 S 0.88211193103018 0.20700005816230 0.51437130851299 32.065 > 25 27 S 0.13211193103018 0.29299994183770 0.48562869148701 32.065 > 27 28 S 0.63211193103018 0.29299994183770 0.48562869148701 32.065 > 27 29 S 0.36788806896982 0.79299994183769 0.01437130851299 32.065 > 29 30 S 0.86788806896982 0.79299994183769 0.01437130851299 32.065 > 29 31 S 0.11788806896982 0.70700005816231 0.98562869148701 32.065 > 31 32 S 0.61788806896982 0.70700005816231 0.98562869148701 32.065 > 31 33 S 0.21496592056477 0.56628158120958 0.38550517482920 32.065 > 33 34 S 0.71496592056477 0.56628158120958 0.38550517482920 32.065 > 33 35 S 0.00286519470708 0.27928617917167 0.22185308978588 32.065 > 35 36 S 0.50286519470708 0.27928617917167 0.22185308978588 32.065 > 35 37 S 0.46496592056477 0.93371841879042 0.61449482517080 32.065 > 37 38 S 0.96496592056477 0.93371841879042 0.61449482517080 32.065 > 37 39 S 0.28503407943523 0.06628158120958 0.11449482517080 32.065 > 39 40 S 0.78503407943523 0.06628158120958 0.11449482517080 32.065 > 39 41 S 0.28503407943523 0.43371841879042 0.61449482517080 32.065 > 41 42 S 0.78503407943523 0.43371841879042 0.61449482517080 32.065 > 41 43 S 0.03503407943523 0.06628158120958 0.38550517482920 32.065 > 43 44 S 0.53503407943523 0.06628158120958 0.38550517482920 32.065 > 43 45 S 0.46496592056477 0.56628158120958 0.11449482517080 32.065 > 45 46 S 0.96496592056477 0.56628158120958 0.11449482517080 32.065 > 45 47 S 0.21496592056477 0.93371841879042 0.88550517482920 32.065 > 47 48 S 0.71496592056477 0.93371841879042 0.88550517482920 32.065 > 47 49 S 0.45258158598121 0.02473981860992 0.12112002246364 32.065 > 49 50 S 0.95258158598121 0.02473981860992 0.12112002246364 32.065 > 49 51 S 0.20258158598121 0.47526018139008 0.87887997753636 32.065 > 51 52 S 0.70258158598121 0.47526018139008 0.87887997753636 32.065 > 51 53 S 0.29741841401879 0.97526018139008 0.62112002246364 32.065 > 53 54 S 0.79741841401879 0.97526018139008 0.62112002246364 32.065 > 53 55 S 0.04741841401879 0.52473981860992 0.37887997753636 32.065 > 55 56 S 0.54741841401879 0.52473981860992 0.37887997753636 32.065 > 55 57 S 0.04741841401879 0.97526018139008 0.87887997753636 32.065 > 57 58 S 0.54741841401879 0.97526018139008 0.87887997753636 32.065 > 57 59 S 0.29741841401879 0.52473981860992 0.12112002246364 32.065 > 59 60 S 0.79741841401879 0.52473981860992 0.12112002246364 32.065 > 59 61 S 0.20258158598121 0.02473981860992 0.37887997753636 32.065 > 61 62 S 0.70258158598121 0.02473981860992 0.37887997753636 32.065 > 61 63 S 0.45258158598121 0.47526018139008 0.62112002246364 32.065 > 63 64 S 0.95258158598121 0.47526018139008 0.62112002246364 32.065 > 63 65 S 0.00286519470708 0.22071382082833 0.72185308978588 32.065 > 65 66 S 0.50286519470708 0.22071382082833 0.72185308978588 32.065 > 65 67 S 0.25286519470708 0.27928617917167 0.27814691021412 32.065 > 67 68 S 0.75286519470708 0.27928617917167 0.27814691021412 32.065 > 67 69 S 0.24713480529292 0.77928617917167 0.22185308978588 32.065 > 69 70 S 0.74713480529292 0.77928617917167 0.22185308978588 32.065 > 69 71 S 0.49713480529292 0.72071382082833 0.77814691021412 32.065 > 71 72 S 0.99713480529292 0.72071382082833 0.77814691021412 32.065 > 71 73 S 0.49713480529292 0.77928617917167 0.27814691021412 32.065 > 73 74 S 0.99713480529292 0.77928617917167 0.27814691021412 32.065 > 73 75 S 0.24713480529292 0.72071382082833 0.72185308978588 32.065 > 75 76 S 0.74713480529292 0.72071382082833 0.72185308978588 32.065 > 75 77 S 0.25286519470708 0.22071382082833 0.77814691021412 32.065 > 77 78 S 0.75286519470708 0.22071382082833 0.77814691021412 32.065 > 77 79 S 0.03503407943523 0.43371841879042 0.88550517482920 32.065 > 79 80 S 0.53503407943523 0.43371841879042 0.88550517482920 32.065 > 79 81 Ga 0.28005440514303 0.45093357916515 0.29775506955385 69.723 > 81 82 Ga 0.78005440514303 0.45093357916515 0.29775506955385 69.723 > 81 83 Ga 0.03005440514303 0.04906642083485 0.70224493044615 69.723 > 83 84 Ga 0.53005440514303 0.04906642083485 0.70224493044615 69.723 > 83 85 Ga 0.46994559485697 0.54906642083485 0.79775506955385 69.723 > 85 86 Ga 0.96994559485697 0.54906642083485 0.79775506955385 69.723 > 85 87 Ga 0.21994559485697 0.95093357916515 0.20224493044615 69.723 > 87 88 Ga 0.71994559485697 0.95093357916515 0.20224493044615 69.723 > 87 89 Ga 0.21994559485697 0.54906642083485 0.70224493044615 69.723 > 89 90 Ga 0.71994559485697 0.54906642083485 0.70224493044615 69.723 > 89 91 Ga 0.46994559485697 0.95093357916515 0.29775506955385 69.723 > 91 92 Ga 0.96994559485697 0.95093357916515 0.29775506955385 69.723 > 91 93 Ga 0.03005440514303 0.45093357916515 0.20224493044615 69.723 > 93 94 Ga 0.53005440514303 0.45093357916515 0.20224493044615 69.723 > 93 95 Ga 0.28005440514303 0.04906642083485 0.79775506955385 69.723 > 95 96 Ga 0.78005440514303 0.04906642083485 0.79775506955385 69.723 > 95 97 Ga 0.38750090185332 0.02732902754100 0.53622756117792 69.723 > 97 98 Ga 0.88750090185332 0.02732902754100 0.53622756117792 69.723 > 97 99 Ga 0.13750090185332 0.47267097245900 0.46377243882208 69.723 > 99 100 Ga 0.63750090185332 0.47267097245900 0.46377243882208 69.723 > 99 101 Ga 0.36249909814668 0.97267097245900 0.03622756117792 69.723 > 101 102 Ga 0.86249909814668 0.97267097245900 0.03622756117792 69.723 > 101 103 Ga 0.11249909814668 0.52732902754100 0.96377243882208 69.723 > 103 104 Ga 0.61249909814668 0.52732902754100 0.96377243882208 69.723 > 103 105 Ga 0.11249909814668 0.97267097245900 0.46377243882208 69.723 > 105 106 Ga 0.61249909814668 0.97267097245900 0.46377243882208 69.723 > 105 107 Ga 0.36249909814668 0.52732902754100 0.53622756117792 69.723 > 107 108 Ga 0.86249909814668 0.52732902754100 0.53622756117792 69.723 > 107 109 Ga 0.13750090185332 0.02732902754100 0.96377243882208 69.723 > 109 110 Ga 0.63750090185332 0.02732902754100 0.96377243882208 69.723 > 109 111 Ga 0.38750090185332 0.47267097245900 0.03622756117792 69.723 > 111 112 Ga 0.88750090185332 0.47267097245900 0.03622756117792 69.723 > 111 113 Sr 0.37396622457660 0.69092006605464 0.25493001450579 87.620 > 113 114 Sr 0.87396622457660 0.69092006605464 0.25493001450579 87.620 > 113 115 Sr 0.12396622457660 0.80907993394536 0.74506998549421 87.620 > 115 116 Sr 0.62396622457660 0.80907993394536 0.74506998549421 87.620 > 115 117 Sr 0.37603377542340 0.30907993394536 0.75493001450579 87.620 > 117 118 Sr 0.87603377542340 0.30907993394536 0.75493001450579 87.620 > 117 119 Sr 0.12603377542340 0.19092006605464 0.24506998549421 87.620 > 119 120 Sr 0.62603377542340 0.19092006605464 0.24506998549421 87.620 > 119 121 Sr 0.12603377542340 0.30907993394536 0.74506998549421 87.620 > 121 122 Sr 0.62603377542340 0.30907993394536 0.74506998549421 87.620 > 121 123 Sr 0.37603377542340 0.19092006605464 0.25493001450579 87.620 > 123 124 Sr 0.87603377542340 0.19092006605464 0.25493001450579 87.620 > 123 125 Sr 0.12396622457660 0.69092006605464 0.24506998549421 87.620 > 125 126 Sr 0.62396622457660 0.69092006605464 0.24506998549421 87.620 > 125 127 Sr 0.37396622457660 0.80907993394536 0.75493001450579 87.620 > 127 128 Sr 0.87396622457660 0.80907993394536 0.75493001450579 87.620 > 127 129 Sr 0.24959203655367 0.80346560969093 0.47467975559156 87.620 > 129 130 Sr 0.74959203655367 0.80346560969093 0.47467975559156 87.620 > 129 131 Sr 0.49959203655367 0.69653439030907 0.52532024440844 87.620 > 131 132 Sr 0.99959203655367 0.69653439030907 0.52532024440844 87.620 > 131 133 Sr 0.00040796344633 0.19653439030907 0.97467975559156 87.620 > 133 134 Sr 0.50040796344633 0.19653439030907 0.97467975559156 87.620 > 133 135 Sr 0.25040796344633 0.30346560969093 0.02532024440844 87.620 > 135 136 Sr 0.75040796344633 0.30346560969093 0.02532024440844 87.620 > 135 137 Sr 0.25040796344633 0.19653439030907 0.52532024440844 87.620 > 137 138 Sr 0.75040796344633 0.19653439030907 0.52532024440844 87.620 > 137 139 Sr 0.00040796344633 0.30346560969093 0.47467975559156 87.620 > 139 140 Sr 0.50040796344633 0.30346560969093 0.47467975559156 87.620 > 139 141 Sr 0.49959203655367 0.80346560969093 0.02532024440844 87.620 > 141 142 Sr 0.99959203655367 0.80346560969093 0.02532024440844 87.620 > 141 143 Sr 0.24959203655367 0.69653439030907 0.97467975559156 87.620 > 143 144 Sr 0.74959203655367 0.69653439030907 0.97467975559156 87.620 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6664192 0.0000000 0.0000000 0.0000000 5.6996282 0.0000000 0.0000000 0.0000000 5.6744422 -------------------------- Born effective charges -------------------------- 1 S -1.9953657 0.0249987 -0.3184735 -0.0166515 -1.7691200 -0.3032516 -0.6240123 -0.2562958 -2.3322510 2 S -1.9953657 -0.0249987 0.3184735 0.0166515 -1.7691200 -0.3032516 0.6240123 -0.2562958 -2.3322510 3 S -1.9953657 0.0249987 0.3184735 -0.0166515 -1.7691200 0.3032516 0.6240123 0.2562958 -2.3322510 4 S -1.9953657 -0.0249987 -0.3184735 0.0166515 -1.7691200 0.3032516 -0.6240123 0.2562958 -2.3322510 5 S -1.9953657 0.0249987 -0.3184735 -0.0166515 -1.7691200 -0.3032516 -0.6240123 -0.2562958 -2.3322510 6 S -1.9953657 -0.0249987 0.3184735 0.0166515 -1.7691200 -0.3032516 0.6240123 -0.2562958 -2.3322510 7 S -1.9953657 0.0249987 0.3184735 -0.0166515 -1.7691200 0.3032516 0.6240123 0.2562958 -2.3322510 8 S -1.9953657 -0.0249987 -0.3184735 0.0166515 -1.7691200 0.3032516 -0.6240123 0.2562958 -2.3322510 9 S -2.0223121 -0.0446549 0.1847888 -0.0261842 -2.2626430 0.0072377 0.1159121 -0.0957837 -1.8653147 10 S -2.0223121 0.0446549 -0.1847888 0.0261842 -2.2626430 0.0072377 -0.1159121 -0.0957837 -1.8653147 11 S -2.0223121 -0.0446549 -0.1847888 -0.0261842 -2.2626430 -0.0072377 -0.1159121 0.0957837 -1.8653147 12 S -2.0223121 0.0446549 0.1847888 0.0261842 -2.2626430 -0.0072377 0.1159121 0.0957837 -1.8653147 13 S -2.0223121 -0.0446549 0.1847888 -0.0261842 -2.2626430 0.0072377 0.1159121 -0.0957837 -1.8653147 14 S -2.0223121 0.0446549 -0.1847888 0.0261842 -2.2626430 0.0072377 -0.1159121 -0.0957837 -1.8653147 15 S -2.0223121 -0.0446549 -0.1847888 -0.0261842 -2.2626430 -0.0072377 -0.1159121 0.0957837 -1.8653147 16 S -2.0223121 0.0446549 0.1847888 0.0261842 -2.2626430 -0.0072377 0.1159121 0.0957837 -1.8653147 17 S -2.4704931 0.0502992 0.4781665 0.0552962 -1.8851251 -0.1326619 0.4855201 -0.1372665 -1.5626710 18 S -1.9351243 -0.2096235 0.0910025 -0.2610835 -2.2186051 0.0747776 0.2644655 0.0257197 -1.9398428 19 S -2.4704931 -0.0502992 -0.4781665 -0.0552962 -1.8851251 -0.1326619 -0.4855201 -0.1372665 -1.5626710 20 S -2.4704931 -0.0502992 0.4781665 -0.0552962 -1.8851251 0.1326619 0.4855201 0.1372665 -1.5626710 21 S -2.4704931 0.0502992 0.4781665 0.0552962 -1.8851251 -0.1326619 0.4855201 -0.1372665 -1.5626710 22 S -2.4704931 -0.0502992 -0.4781665 -0.0552962 -1.8851251 -0.1326619 -0.4855201 -0.1372665 -1.5626710 23 S -2.4704931 0.0502992 -0.4781665 0.0552962 -1.8851251 0.1326619 -0.4855201 0.1372665 -1.5626710 24 S -2.4704931 -0.0502992 0.4781665 -0.0552962 -1.8851251 0.1326619 0.4855201 0.1372665 -1.5626710 25 S -2.1422667 0.0180134 -0.4299132 -0.0520383 -1.8815955 0.2003726 -0.3539781 0.2559847 -2.5929179 26 S -2.1422667 -0.0180134 0.4299132 0.0520383 -1.8815955 0.2003726 0.3539781 0.2559847 -2.5929179 27 S -2.1422667 0.0180134 0.4299132 -0.0520383 -1.8815955 -0.2003726 0.3539781 -0.2559847 -2.5929179 28 S -2.1422667 -0.0180134 -0.4299132 0.0520383 -1.8815955 -0.2003726 -0.3539781 -0.2559847 -2.5929179 29 S -2.1422667 0.0180134 -0.4299132 -0.0520383 -1.8815955 0.2003726 -0.3539781 0.2559847 -2.5929179 30 S -2.1422667 -0.0180134 0.4299132 0.0520383 -1.8815955 0.2003726 0.3539781 0.2559847 -2.5929179 31 S -2.1422667 0.0180134 0.4299132 -0.0520383 -1.8815955 -0.2003726 0.3539781 -0.2559847 -2.5929179 32 S -2.1422667 -0.0180134 -0.4299132 0.0520383 -1.8815955 -0.2003726 -0.3539781 -0.2559847 -2.5929179 33 S -1.9351243 0.2096235 0.0910025 0.2610835 -2.2186051 -0.0747776 0.2644655 -0.0257197 -1.9398428 34 S -1.9351243 -0.2096235 -0.0910025 -0.2610835 -2.2186051 -0.0747776 -0.2644655 -0.0257197 -1.9398428 35 S -1.9351243 0.2096235 -0.0910025 0.2610835 -2.2186051 0.0747776 -0.2644655 0.0257197 -1.9398428 36 S -1.9351243 -0.2096235 0.0910025 -0.2610835 -2.2186051 0.0747776 0.2644655 0.0257197 -1.9398428 37 S -1.9351243 0.2096235 0.0910025 0.2610835 -2.2186051 -0.0747776 0.2644655 -0.0257197 -1.9398428 38 S -1.9351243 -0.2096235 -0.0910025 -0.2610835 -2.2186051 -0.0747776 -0.2644655 -0.0257197 -1.9398428 39 S -1.9351243 0.2096235 -0.0910025 0.2610835 -2.2186051 0.0747776 -0.2644655 0.0257197 -1.9398428 40 S -2.4704931 0.0502992 -0.4781665 0.0552962 -1.8851251 0.1326619 -0.4855201 0.1372665 -1.5626710 41 Ga 2.6782658 -0.1012389 -0.5035750 0.1438127 2.4000277 0.0234955 0.4152223 0.0595273 2.6690367 42 Ga 2.6782658 0.1012389 0.5035750 -0.1438127 2.4000277 0.0234955 -0.4152223 0.0595273 2.6690367 43 Ga 2.6782658 -0.1012389 0.5035750 0.1438127 2.4000277 -0.0234955 -0.4152223 -0.0595273 2.6690367 44 Ga 2.6782658 0.1012389 -0.5035750 -0.1438127 2.4000277 -0.0234955 0.4152223 -0.0595273 2.6690367 45 Ga 2.6782658 -0.1012389 -0.5035750 0.1438127 2.4000277 0.0234955 0.4152223 0.0595273 2.6690367 46 Ga 2.6782658 0.1012389 0.5035750 -0.1438127 2.4000277 0.0234955 -0.4152223 0.0595273 2.6690367 47 Ga 2.6782658 -0.1012389 0.5035750 0.1438127 2.4000277 -0.0234955 -0.4152223 -0.0595273 2.6690367 48 Ga 2.6782658 0.1012389 -0.5035750 -0.1438127 2.4000277 -0.0234955 0.4152223 -0.0595273 2.6690367 49 Ga 2.7110900 -0.3689451 -0.2737458 -0.0858067 2.3650191 0.0198143 -0.1315058 -0.1840237 2.5711895 50 Ga 2.7110900 0.3689451 0.2737458 0.0858067 2.3650191 0.0198143 0.1315058 -0.1840237 2.5711895 51 Ga 2.7110900 -0.3689451 0.2737458 -0.0858067 2.3650191 -0.0198143 0.1315058 0.1840237 2.5711895 52 Ga 2.7110900 0.3689451 -0.2737458 0.0858067 2.3650191 -0.0198143 -0.1315058 0.1840237 2.5711895 53 Ga 2.7110900 -0.3689451 -0.2737458 -0.0858067 2.3650191 0.0198143 -0.1315058 -0.1840237 2.5711895 54 Ga 2.7110900 0.3689451 0.2737458 0.0858067 2.3650191 0.0198143 0.1315058 -0.1840237 2.5711895 55 Ga 2.7110900 -0.3689451 0.2737458 -0.0858067 2.3650191 -0.0198143 0.1315058 0.1840237 2.5711895 56 Ga 2.7110900 0.3689451 -0.2737458 0.0858067 2.3650191 -0.0198143 -0.1315058 0.1840237 2.5711895 57 Sr 2.4887412 0.1366177 -0.0354044 0.0214175 2.6833694 -0.0934834 0.0296881 0.0125574 2.4721942 58 Sr 2.4887412 -0.1366177 0.0354044 -0.0214175 2.6833694 -0.0934834 -0.0296881 0.0125574 2.4721942 59 Sr 2.4887412 0.1366177 0.0354044 0.0214175 2.6833694 0.0934834 -0.0296881 -0.0125574 2.4721942 60 Sr 2.4887412 -0.1366177 -0.0354044 -0.0214175 2.6833694 0.0934834 0.0296881 -0.0125574 2.4721942 61 Sr 2.4887412 0.1366177 -0.0354044 0.0214175 2.6833694 -0.0934834 0.0296881 0.0125574 2.4721942 62 Sr 2.4887412 -0.1366177 0.0354044 -0.0214175 2.6833694 -0.0934834 -0.0296881 0.0125574 2.4721942 63 Sr 2.4887412 0.1366177 0.0354044 0.0214175 2.6833694 0.0934834 -0.0296881 -0.0125574 2.4721942 64 Sr 2.4887412 -0.1366177 -0.0354044 -0.0214175 2.6833694 0.0934834 0.0296881 -0.0125574 2.4721942 65 Sr 2.6874649 0.0543331 0.2554154 -0.2150865 2.5686726 -0.1373943 0.4623237 0.0416673 2.5805770 66 Sr 2.6874649 -0.0543331 -0.2554154 0.2150865 2.5686726 -0.1373943 -0.4623237 0.0416673 2.5805770 67 Sr 2.6874649 0.0543331 -0.2554154 -0.2150865 2.5686726 0.1373943 -0.4623237 -0.0416673 2.5805770 68 Sr 2.6874649 -0.0543331 0.2554154 0.2150865 2.5686726 0.1373943 0.4623237 -0.0416673 2.5805770 69 Sr 2.6874649 0.0543331 0.2554154 -0.2150865 2.5686726 -0.1373943 0.4623237 0.0416673 2.5805770 70 Sr 2.6874649 -0.0543331 -0.2554154 0.2150865 2.5686726 -0.1373943 -0.4623237 0.0416673 2.5805770 71 Sr 2.6874649 0.0543331 -0.2554154 -0.2150865 2.5686726 0.1373943 -0.4623237 -0.0416673 2.5805770 72 Sr 2.6874649 -0.0543331 0.2554154 0.2150865 2.5686726 0.1373943 0.4623237 -0.0416673 2.5805770 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, 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[ 113, 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[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 00:52:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:52:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.101138260000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.384121470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.930339189999998 Atomic positions (fractional): 1 S 0.75527293469358 0.45939444279894 0.36042319927812 32.065 2 S 0.25527293469358 0.04060555720106 0.63957680072189 32.065 3 S 0.74472706530642 0.54060555720106 0.86042319927811 32.065 4 S 0.24472706530642 0.95939444279894 0.13957680072188 32.065 5 S 0.24472706530642 0.54060555720106 0.63957680072189 32.065 6 S 0.74472706530642 0.95939444279894 0.36042319927812 32.065 7 S 0.25527293469358 0.45939444279894 0.13957680072188 32.065 8 S 0.75527293469358 0.04060555720106 0.86042319927811 32.065 9 S 0.23577613793963 0.79299994183769 0.48562869148701 32.065 10 S 0.73577613793963 0.70700005816231 0.51437130851299 32.065 11 S 0.26422386206037 0.20700005816230 0.98562869148701 32.065 12 S 0.76422386206037 0.29299994183770 0.01437130851299 32.065 13 S 0.76422386206037 0.20700005816230 0.51437130851299 32.065 14 S 0.26422386206037 0.29299994183770 0.48562869148701 32.065 15 S 0.73577613793963 0.79299994183769 0.01437130851299 32.065 16 S 0.23577613793963 0.70700005816231 0.98562869148701 32.065 17 S 0.42993184112953 0.56628158120958 0.38550517482920 32.065 18 S 0.00573038941416 0.27928617917167 0.22185308978588 32.065 19 S 0.92993184112953 0.93371841879042 0.61449482517080 32.065 20 S 0.57006815887047 0.06628158120958 0.11449482517080 32.065 21 S 0.57006815887047 0.43371841879042 0.61449482517080 32.065 22 S 0.07006815887047 0.06628158120958 0.38550517482920 32.065 23 S 0.92993184112953 0.56628158120958 0.11449482517080 32.065 24 S 0.42993184112953 0.93371841879042 0.88550517482920 32.065 25 S 0.90516317196242 0.02473981860992 0.12112002246364 32.065 26 S 0.40516317196242 0.47526018139008 0.87887997753636 32.065 27 S 0.59483682803758 0.97526018139008 0.62112002246364 32.065 28 S 0.09483682803758 0.52473981860992 0.37887997753636 32.065 29 S 0.09483682803758 0.97526018139008 0.87887997753636 32.065 30 S 0.59483682803758 0.52473981860992 0.12112002246364 32.065 31 S 0.40516317196242 0.02473981860992 0.37887997753636 32.065 32 S 0.90516317196242 0.47526018139008 0.62112002246364 32.065 33 S 0.00573038941416 0.22071382082833 0.72185308978588 32.065 34 S 0.50573038941416 0.27928617917167 0.27814691021412 32.065 35 S 0.49426961058584 0.77928617917167 0.22185308978588 32.065 36 S 0.99426961058584 0.72071382082833 0.77814691021412 32.065 37 S 0.99426961058584 0.77928617917167 0.27814691021412 32.065 38 S 0.49426961058584 0.72071382082833 0.72185308978588 32.065 39 S 0.50573038941416 0.22071382082833 0.77814691021412 32.065 40 S 0.07006815887047 0.43371841879042 0.88550517482920 32.065 41 Ga 0.56010881028606 0.45093357916515 0.29775506955385 69.723 42 Ga 0.06010881028606 0.04906642083485 0.70224493044615 69.723 43 Ga 0.93989118971394 0.54906642083485 0.79775506955385 69.723 44 Ga 0.43989118971394 0.95093357916515 0.20224493044615 69.723 45 Ga 0.43989118971394 0.54906642083485 0.70224493044615 69.723 46 Ga 0.93989118971394 0.95093357916515 0.29775506955385 69.723 47 Ga 0.06010881028606 0.45093357916515 0.20224493044615 69.723 48 Ga 0.56010881028606 0.04906642083485 0.79775506955385 69.723 49 Ga 0.77500180370664 0.02732902754100 0.53622756117792 69.723 50 Ga 0.27500180370664 0.47267097245900 0.46377243882208 69.723 51 Ga 0.72499819629336 0.97267097245900 0.03622756117792 69.723 52 Ga 0.22499819629336 0.52732902754100 0.96377243882208 69.723 53 Ga 0.22499819629336 0.97267097245900 0.46377243882208 69.723 54 Ga 0.72499819629336 0.52732902754100 0.53622756117792 69.723 55 Ga 0.27500180370664 0.02732902754100 0.96377243882208 69.723 56 Ga 0.77500180370664 0.47267097245900 0.03622756117792 69.723 57 Sr 0.74793244915321 0.69092006605464 0.25493001450579 87.620 58 Sr 0.24793244915321 0.80907993394536 0.74506998549421 87.620 59 Sr 0.75206755084679 0.30907993394536 0.75493001450579 87.620 60 Sr 0.25206755084679 0.19092006605464 0.24506998549421 87.620 61 Sr 0.25206755084679 0.30907993394536 0.74506998549421 87.620 62 Sr 0.75206755084679 0.19092006605464 0.25493001450579 87.620 63 Sr 0.24793244915321 0.69092006605464 0.24506998549421 87.620 64 Sr 0.74793244915321 0.80907993394536 0.75493001450579 87.620 65 Sr 0.49918407310735 0.80346560969093 0.47467975559156 87.620 66 Sr 0.99918407310735 0.69653439030907 0.52532024440844 87.620 67 Sr 0.00081592689265 0.19653439030907 0.97467975559156 87.620 68 Sr 0.50081592689265 0.30346560969093 0.02532024440844 87.620 69 Sr 0.50081592689265 0.19653439030907 0.52532024440844 87.620 70 Sr 0.00081592689265 0.30346560969093 0.47467975559156 87.620 71 Sr 0.99918407310735 0.80346560969093 0.02532024440844 87.620 72 Sr 0.49918407310735 0.69653439030907 0.97467975559156 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.202276520000002 0.000000000000000 0.000000000000000 b 0.000000000000000 12.384121470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.930339189999998 Atomic positions (fractional): 1 S 0.37763646734679 0.45939444279894 0.36042319927812 32.065 > 1 2 S 0.87763646734679 0.45939444279894 0.36042319927812 32.065 > 1 3 S 0.12763646734679 0.04060555720106 0.63957680072189 32.065 > 3 4 S 0.62763646734679 0.04060555720106 0.63957680072189 32.065 > 3 5 S 0.37236353265321 0.54060555720106 0.86042319927811 32.065 > 5 6 S 0.87236353265321 0.54060555720106 0.86042319927811 32.065 > 5 7 S 0.12236353265321 0.95939444279894 0.13957680072188 32.065 > 7 8 S 0.62236353265321 0.95939444279894 0.13957680072188 32.065 > 7 9 S 0.12236353265321 0.54060555720106 0.63957680072189 32.065 > 9 10 S 0.62236353265321 0.54060555720106 0.63957680072189 32.065 > 9 11 S 0.37236353265321 0.95939444279894 0.36042319927812 32.065 > 11 12 S 0.87236353265321 0.95939444279894 0.36042319927812 32.065 > 11 13 S 0.12763646734679 0.45939444279894 0.13957680072188 32.065 > 13 14 S 0.62763646734679 0.45939444279894 0.13957680072188 32.065 > 13 15 S 0.37763646734679 0.04060555720106 0.86042319927811 32.065 > 15 16 S 0.87763646734679 0.04060555720106 0.86042319927811 32.065 > 15 17 S 0.11788806896982 0.79299994183769 0.48562869148701 32.065 > 17 18 S 0.61788806896982 0.79299994183769 0.48562869148701 32.065 > 17 19 S 0.36788806896982 0.70700005816231 0.51437130851299 32.065 > 19 20 S 0.86788806896982 0.70700005816231 0.51437130851299 32.065 > 19 21 S 0.13211193103018 0.20700005816230 0.98562869148701 32.065 > 21 22 S 0.63211193103018 0.20700005816230 0.98562869148701 32.065 > 21 23 S 0.38211193103018 0.29299994183770 0.01437130851299 32.065 > 23 24 S 0.88211193103018 0.29299994183770 0.01437130851299 32.065 > 23 25 S 0.38211193103018 0.20700005816230 0.51437130851299 32.065 > 25 26 S 0.88211193103018 0.20700005816230 0.51437130851299 32.065 > 25 27 S 0.13211193103018 0.29299994183770 0.48562869148701 32.065 > 27 28 S 0.63211193103018 0.29299994183770 0.48562869148701 32.065 > 27 29 S 0.36788806896982 0.79299994183769 0.01437130851299 32.065 > 29 30 S 0.86788806896982 0.79299994183769 0.01437130851299 32.065 > 29 31 S 0.11788806896982 0.70700005816231 0.98562869148701 32.065 > 31 32 S 0.61788806896982 0.70700005816231 0.98562869148701 32.065 > 31 33 S 0.21496592056477 0.56628158120958 0.38550517482920 32.065 > 33 34 S 0.71496592056477 0.56628158120958 0.38550517482920 32.065 > 33 35 S 0.00286519470708 0.27928617917167 0.22185308978588 32.065 > 35 36 S 0.50286519470708 0.27928617917167 0.22185308978588 32.065 > 35 37 S 0.46496592056477 0.93371841879042 0.61449482517080 32.065 > 37 38 S 0.96496592056477 0.93371841879042 0.61449482517080 32.065 > 37 39 S 0.28503407943523 0.06628158120958 0.11449482517080 32.065 > 39 40 S 0.78503407943523 0.06628158120958 0.11449482517080 32.065 > 39 41 S 0.28503407943523 0.43371841879042 0.61449482517080 32.065 > 41 42 S 0.78503407943523 0.43371841879042 0.61449482517080 32.065 > 41 43 S 0.03503407943523 0.06628158120958 0.38550517482920 32.065 > 43 44 S 0.53503407943523 0.06628158120958 0.38550517482920 32.065 > 43 45 S 0.46496592056477 0.56628158120958 0.11449482517080 32.065 > 45 46 S 0.96496592056477 0.56628158120958 0.11449482517080 32.065 > 45 47 S 0.21496592056477 0.93371841879042 0.88550517482920 32.065 > 47 48 S 0.71496592056477 0.93371841879042 0.88550517482920 32.065 > 47 49 S 0.45258158598121 0.02473981860992 0.12112002246364 32.065 > 49 50 S 0.95258158598121 0.02473981860992 0.12112002246364 32.065 > 49 51 S 0.20258158598121 0.47526018139008 0.87887997753636 32.065 > 51 52 S 0.70258158598121 0.47526018139008 0.87887997753636 32.065 > 51 53 S 0.29741841401879 0.97526018139008 0.62112002246364 32.065 > 53 54 S 0.79741841401879 0.97526018139008 0.62112002246364 32.065 > 53 55 S 0.04741841401879 0.52473981860992 0.37887997753636 32.065 > 55 56 S 0.54741841401879 0.52473981860992 0.37887997753636 32.065 > 55 57 S 0.04741841401879 0.97526018139008 0.87887997753636 32.065 > 57 58 S 0.54741841401879 0.97526018139008 0.87887997753636 32.065 > 57 59 S 0.29741841401879 0.52473981860992 0.12112002246364 32.065 > 59 60 S 0.79741841401879 0.52473981860992 0.12112002246364 32.065 > 59 61 S 0.20258158598121 0.02473981860992 0.37887997753636 32.065 > 61 62 S 0.70258158598121 0.02473981860992 0.37887997753636 32.065 > 61 63 S 0.45258158598121 0.47526018139008 0.62112002246364 32.065 > 63 64 S 0.95258158598121 0.47526018139008 0.62112002246364 32.065 > 63 65 S 0.00286519470708 0.22071382082833 0.72185308978588 32.065 > 65 66 S 0.50286519470708 0.22071382082833 0.72185308978588 32.065 > 65 67 S 0.25286519470708 0.27928617917167 0.27814691021412 32.065 > 67 68 S 0.75286519470708 0.27928617917167 0.27814691021412 32.065 > 67 69 S 0.24713480529292 0.77928617917167 0.22185308978588 32.065 > 69 70 S 0.74713480529292 0.77928617917167 0.22185308978588 32.065 > 69 71 S 0.49713480529292 0.72071382082833 0.77814691021412 32.065 > 71 72 S 0.99713480529292 0.72071382082833 0.77814691021412 32.065 > 71 73 S 0.49713480529292 0.77928617917167 0.27814691021412 32.065 > 73 74 S 0.99713480529292 0.77928617917167 0.27814691021412 32.065 > 73 75 S 0.24713480529292 0.72071382082833 0.72185308978588 32.065 > 75 76 S 0.74713480529292 0.72071382082833 0.72185308978588 32.065 > 75 77 S 0.25286519470708 0.22071382082833 0.77814691021412 32.065 > 77 78 S 0.75286519470708 0.22071382082833 0.77814691021412 32.065 > 77 79 S 0.03503407943523 0.43371841879042 0.88550517482920 32.065 > 79 80 S 0.53503407943523 0.43371841879042 0.88550517482920 32.065 > 79 81 Ga 0.28005440514303 0.45093357916515 0.29775506955385 69.723 > 81 82 Ga 0.78005440514303 0.45093357916515 0.29775506955385 69.723 > 81 83 Ga 0.03005440514303 0.04906642083485 0.70224493044615 69.723 > 83 84 Ga 0.53005440514303 0.04906642083485 0.70224493044615 69.723 > 83 85 Ga 0.46994559485697 0.54906642083485 0.79775506955385 69.723 > 85 86 Ga 0.96994559485697 0.54906642083485 0.79775506955385 69.723 > 85 87 Ga 0.21994559485697 0.95093357916515 0.20224493044615 69.723 > 87 88 Ga 0.71994559485697 0.95093357916515 0.20224493044615 69.723 > 87 89 Ga 0.21994559485697 0.54906642083485 0.70224493044615 69.723 > 89 90 Ga 0.71994559485697 0.54906642083485 0.70224493044615 69.723 > 89 91 Ga 0.46994559485697 0.95093357916515 0.29775506955385 69.723 > 91 92 Ga 0.96994559485697 0.95093357916515 0.29775506955385 69.723 > 91 93 Ga 0.03005440514303 0.45093357916515 0.20224493044615 69.723 > 93 94 Ga 0.53005440514303 0.45093357916515 0.20224493044615 69.723 > 93 95 Ga 0.28005440514303 0.04906642083485 0.79775506955385 69.723 > 95 96 Ga 0.78005440514303 0.04906642083485 0.79775506955385 69.723 > 95 97 Ga 0.38750090185332 0.02732902754100 0.53622756117792 69.723 > 97 98 Ga 0.88750090185332 0.02732902754100 0.53622756117792 69.723 > 97 99 Ga 0.13750090185332 0.47267097245900 0.46377243882208 69.723 > 99 100 Ga 0.63750090185332 0.47267097245900 0.46377243882208 69.723 > 99 101 Ga 0.36249909814668 0.97267097245900 0.03622756117792 69.723 > 101 102 Ga 0.86249909814668 0.97267097245900 0.03622756117792 69.723 > 101 103 Ga 0.11249909814668 0.52732902754100 0.96377243882208 69.723 > 103 104 Ga 0.61249909814668 0.52732902754100 0.96377243882208 69.723 > 103 105 Ga 0.11249909814668 0.97267097245900 0.46377243882208 69.723 > 105 106 Ga 0.61249909814668 0.97267097245900 0.46377243882208 69.723 > 105 107 Ga 0.36249909814668 0.52732902754100 0.53622756117792 69.723 > 107 108 Ga 0.86249909814668 0.52732902754100 0.53622756117792 69.723 > 107 109 Ga 0.13750090185332 0.02732902754100 0.96377243882208 69.723 > 109 110 Ga 0.63750090185332 0.02732902754100 0.96377243882208 69.723 > 109 111 Ga 0.38750090185332 0.47267097245900 0.03622756117792 69.723 > 111 112 Ga 0.88750090185332 0.47267097245900 0.03622756117792 69.723 > 111 113 Sr 0.37396622457660 0.69092006605464 0.25493001450579 87.620 > 113 114 Sr 0.87396622457660 0.69092006605464 0.25493001450579 87.620 > 113 115 Sr 0.12396622457660 0.80907993394536 0.74506998549421 87.620 > 115 116 Sr 0.62396622457660 0.80907993394536 0.74506998549421 87.620 > 115 117 Sr 0.37603377542340 0.30907993394536 0.75493001450579 87.620 > 117 118 Sr 0.87603377542340 0.30907993394536 0.75493001450579 87.620 > 117 119 Sr 0.12603377542340 0.19092006605464 0.24506998549421 87.620 > 119 120 Sr 0.62603377542340 0.19092006605464 0.24506998549421 87.620 > 119 121 Sr 0.12603377542340 0.30907993394536 0.74506998549421 87.620 > 121 122 Sr 0.62603377542340 0.30907993394536 0.74506998549421 87.620 > 121 123 Sr 0.37603377542340 0.19092006605464 0.25493001450579 87.620 > 123 124 Sr 0.87603377542340 0.19092006605464 0.25493001450579 87.620 > 123 125 Sr 0.12396622457660 0.69092006605464 0.24506998549421 87.620 > 125 126 Sr 0.62396622457660 0.69092006605464 0.24506998549421 87.620 > 125 127 Sr 0.37396622457660 0.80907993394536 0.75493001450579 87.620 > 127 128 Sr 0.87396622457660 0.80907993394536 0.75493001450579 87.620 > 127 129 Sr 0.24959203655367 0.80346560969093 0.47467975559156 87.620 > 129 130 Sr 0.74959203655367 0.80346560969093 0.47467975559156 87.620 > 129 131 Sr 0.49959203655367 0.69653439030907 0.52532024440844 87.620 > 131 132 Sr 0.99959203655367 0.69653439030907 0.52532024440844 87.620 > 131 133 Sr 0.00040796344633 0.19653439030907 0.97467975559156 87.620 > 133 134 Sr 0.50040796344633 0.19653439030907 0.97467975559156 87.620 > 133 135 Sr 0.25040796344633 0.30346560969093 0.02532024440844 87.620 > 135 136 Sr 0.75040796344633 0.30346560969093 0.02532024440844 87.620 > 135 137 Sr 0.25040796344633 0.19653439030907 0.52532024440844 87.620 > 137 138 Sr 0.75040796344633 0.19653439030907 0.52532024440844 87.620 > 137 139 Sr 0.00040796344633 0.30346560969093 0.47467975559156 87.620 > 139 140 Sr 0.50040796344633 0.30346560969093 0.47467975559156 87.620 > 139 141 Sr 0.49959203655367 0.80346560969093 0.02532024440844 87.620 > 141 142 Sr 0.99959203655367 0.80346560969093 0.02532024440844 87.620 > 141 143 Sr 0.24959203655367 0.69653439030907 0.97467975559156 87.620 > 143 144 Sr 0.74959203655367 0.69653439030907 0.97467975559156 87.620 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6664192 0.0000000 0.0000000 0.0000000 5.6996282 0.0000000 0.0000000 0.0000000 5.6744422 -------------------------- Born effective charges -------------------------- 1 S -1.9953657 0.0249987 -0.3184735 -0.0166515 -1.7691200 -0.3032516 -0.6240123 -0.2562958 -2.3322510 2 S -1.9953657 -0.0249987 0.3184735 0.0166515 -1.7691200 -0.3032516 0.6240123 -0.2562958 -2.3322510 3 S -1.9953657 0.0249987 0.3184735 -0.0166515 -1.7691200 0.3032516 0.6240123 0.2562958 -2.3322510 4 S -1.9953657 -0.0249987 -0.3184735 0.0166515 -1.7691200 0.3032516 -0.6240123 0.2562958 -2.3322510 5 S -1.9953657 0.0249987 -0.3184735 -0.0166515 -1.7691200 -0.3032516 -0.6240123 -0.2562958 -2.3322510 6 S -1.9953657 -0.0249987 0.3184735 0.0166515 -1.7691200 -0.3032516 0.6240123 -0.2562958 -2.3322510 7 S -1.9953657 0.0249987 0.3184735 -0.0166515 -1.7691200 0.3032516 0.6240123 0.2562958 -2.3322510 8 S -1.9953657 -0.0249987 -0.3184735 0.0166515 -1.7691200 0.3032516 -0.6240123 0.2562958 -2.3322510 9 S -2.0223121 -0.0446549 0.1847888 -0.0261842 -2.2626430 0.0072377 0.1159121 -0.0957837 -1.8653147 10 S -2.0223121 0.0446549 -0.1847888 0.0261842 -2.2626430 0.0072377 -0.1159121 -0.0957837 -1.8653147 11 S -2.0223121 -0.0446549 -0.1847888 -0.0261842 -2.2626430 -0.0072377 -0.1159121 0.0957837 -1.8653147 12 S -2.0223121 0.0446549 0.1847888 0.0261842 -2.2626430 -0.0072377 0.1159121 0.0957837 -1.8653147 13 S -2.0223121 -0.0446549 0.1847888 -0.0261842 -2.2626430 0.0072377 0.1159121 -0.0957837 -1.8653147 14 S -2.0223121 0.0446549 -0.1847888 0.0261842 -2.2626430 0.0072377 -0.1159121 -0.0957837 -1.8653147 15 S -2.0223121 -0.0446549 -0.1847888 -0.0261842 -2.2626430 -0.0072377 -0.1159121 0.0957837 -1.8653147 16 S -2.0223121 0.0446549 0.1847888 0.0261842 -2.2626430 -0.0072377 0.1159121 0.0957837 -1.8653147 17 S -2.4704931 0.0502992 0.4781665 0.0552962 -1.8851251 -0.1326619 0.4855201 -0.1372665 -1.5626710 18 S -1.9351243 -0.2096235 0.0910025 -0.2610835 -2.2186051 0.0747776 0.2644655 0.0257197 -1.9398428 19 S -2.4704931 -0.0502992 -0.4781665 -0.0552962 -1.8851251 -0.1326619 -0.4855201 -0.1372665 -1.5626710 20 S -2.4704931 -0.0502992 0.4781665 -0.0552962 -1.8851251 0.1326619 0.4855201 0.1372665 -1.5626710 21 S -2.4704931 0.0502992 0.4781665 0.0552962 -1.8851251 -0.1326619 0.4855201 -0.1372665 -1.5626710 22 S -2.4704931 -0.0502992 -0.4781665 -0.0552962 -1.8851251 -0.1326619 -0.4855201 -0.1372665 -1.5626710 23 S -2.4704931 0.0502992 -0.4781665 0.0552962 -1.8851251 0.1326619 -0.4855201 0.1372665 -1.5626710 24 S -2.4704931 -0.0502992 0.4781665 -0.0552962 -1.8851251 0.1326619 0.4855201 0.1372665 -1.5626710 25 S -2.1422667 0.0180134 -0.4299132 -0.0520383 -1.8815955 0.2003726 -0.3539781 0.2559847 -2.5929179 26 S -2.1422667 -0.0180134 0.4299132 0.0520383 -1.8815955 0.2003726 0.3539781 0.2559847 -2.5929179 27 S -2.1422667 0.0180134 0.4299132 -0.0520383 -1.8815955 -0.2003726 0.3539781 -0.2559847 -2.5929179 28 S -2.1422667 -0.0180134 -0.4299132 0.0520383 -1.8815955 -0.2003726 -0.3539781 -0.2559847 -2.5929179 29 S -2.1422667 0.0180134 -0.4299132 -0.0520383 -1.8815955 0.2003726 -0.3539781 0.2559847 -2.5929179 30 S -2.1422667 -0.0180134 0.4299132 0.0520383 -1.8815955 0.2003726 0.3539781 0.2559847 -2.5929179 31 S -2.1422667 0.0180134 0.4299132 -0.0520383 -1.8815955 -0.2003726 0.3539781 -0.2559847 -2.5929179 32 S -2.1422667 -0.0180134 -0.4299132 0.0520383 -1.8815955 -0.2003726 -0.3539781 -0.2559847 -2.5929179 33 S -1.9351243 0.2096235 0.0910025 0.2610835 -2.2186051 -0.0747776 0.2644655 -0.0257197 -1.9398428 34 S -1.9351243 -0.2096235 -0.0910025 -0.2610835 -2.2186051 -0.0747776 -0.2644655 -0.0257197 -1.9398428 35 S -1.9351243 0.2096235 -0.0910025 0.2610835 -2.2186051 0.0747776 -0.2644655 0.0257197 -1.9398428 36 S -1.9351243 -0.2096235 0.0910025 -0.2610835 -2.2186051 0.0747776 0.2644655 0.0257197 -1.9398428 37 S -1.9351243 0.2096235 0.0910025 0.2610835 -2.2186051 -0.0747776 0.2644655 -0.0257197 -1.9398428 38 S -1.9351243 -0.2096235 -0.0910025 -0.2610835 -2.2186051 -0.0747776 -0.2644655 -0.0257197 -1.9398428 39 S -1.9351243 0.2096235 -0.0910025 0.2610835 -2.2186051 0.0747776 -0.2644655 0.0257197 -1.9398428 40 S -2.4704931 0.0502992 -0.4781665 0.0552962 -1.8851251 0.1326619 -0.4855201 0.1372665 -1.5626710 41 Ga 2.6782658 -0.1012389 -0.5035750 0.1438127 2.4000277 0.0234955 0.4152223 0.0595273 2.6690367 42 Ga 2.6782658 0.1012389 0.5035750 -0.1438127 2.4000277 0.0234955 -0.4152223 0.0595273 2.6690367 43 Ga 2.6782658 -0.1012389 0.5035750 0.1438127 2.4000277 -0.0234955 -0.4152223 -0.0595273 2.6690367 44 Ga 2.6782658 0.1012389 -0.5035750 -0.1438127 2.4000277 -0.0234955 0.4152223 -0.0595273 2.6690367 45 Ga 2.6782658 -0.1012389 -0.5035750 0.1438127 2.4000277 0.0234955 0.4152223 0.0595273 2.6690367 46 Ga 2.6782658 0.1012389 0.5035750 -0.1438127 2.4000277 0.0234955 -0.4152223 0.0595273 2.6690367 47 Ga 2.6782658 -0.1012389 0.5035750 0.1438127 2.4000277 -0.0234955 -0.4152223 -0.0595273 2.6690367 48 Ga 2.6782658 0.1012389 -0.5035750 -0.1438127 2.4000277 -0.0234955 0.4152223 -0.0595273 2.6690367 49 Ga 2.7110900 -0.3689451 -0.2737458 -0.0858067 2.3650191 0.0198143 -0.1315058 -0.1840237 2.5711895 50 Ga 2.7110900 0.3689451 0.2737458 0.0858067 2.3650191 0.0198143 0.1315058 -0.1840237 2.5711895 51 Ga 2.7110900 -0.3689451 0.2737458 -0.0858067 2.3650191 -0.0198143 0.1315058 0.1840237 2.5711895 52 Ga 2.7110900 0.3689451 -0.2737458 0.0858067 2.3650191 -0.0198143 -0.1315058 0.1840237 2.5711895 53 Ga 2.7110900 -0.3689451 -0.2737458 -0.0858067 2.3650191 0.0198143 -0.1315058 -0.1840237 2.5711895 54 Ga 2.7110900 0.3689451 0.2737458 0.0858067 2.3650191 0.0198143 0.1315058 -0.1840237 2.5711895 55 Ga 2.7110900 -0.3689451 0.2737458 -0.0858067 2.3650191 -0.0198143 0.1315058 0.1840237 2.5711895 56 Ga 2.7110900 0.3689451 -0.2737458 0.0858067 2.3650191 -0.0198143 -0.1315058 0.1840237 2.5711895 57 Sr 2.4887412 0.1366177 -0.0354044 0.0214175 2.6833694 -0.0934834 0.0296881 0.0125574 2.4721942 58 Sr 2.4887412 -0.1366177 0.0354044 -0.0214175 2.6833694 -0.0934834 -0.0296881 0.0125574 2.4721942 59 Sr 2.4887412 0.1366177 0.0354044 0.0214175 2.6833694 0.0934834 -0.0296881 -0.0125574 2.4721942 60 Sr 2.4887412 -0.1366177 -0.0354044 -0.0214175 2.6833694 0.0934834 0.0296881 -0.0125574 2.4721942 61 Sr 2.4887412 0.1366177 -0.0354044 0.0214175 2.6833694 -0.0934834 0.0296881 0.0125574 2.4721942 62 Sr 2.4887412 -0.1366177 0.0354044 -0.0214175 2.6833694 -0.0934834 -0.0296881 0.0125574 2.4721942 63 Sr 2.4887412 0.1366177 0.0354044 0.0214175 2.6833694 0.0934834 -0.0296881 -0.0125574 2.4721942 64 Sr 2.4887412 -0.1366177 -0.0354044 -0.0214175 2.6833694 0.0934834 0.0296881 -0.0125574 2.4721942 65 Sr 2.6874649 0.0543331 0.2554154 -0.2150865 2.5686726 -0.1373943 0.4623237 0.0416673 2.5805770 66 Sr 2.6874649 -0.0543331 -0.2554154 0.2150865 2.5686726 -0.1373943 -0.4623237 0.0416673 2.5805770 67 Sr 2.6874649 0.0543331 -0.2554154 -0.2150865 2.5686726 0.1373943 -0.4623237 -0.0416673 2.5805770 68 Sr 2.6874649 -0.0543331 0.2554154 0.2150865 2.5686726 0.1373943 0.4623237 -0.0416673 2.5805770 69 Sr 2.6874649 0.0543331 0.2554154 -0.2150865 2.5686726 -0.1373943 0.4623237 0.0416673 2.5805770 70 Sr 2.6874649 -0.0543331 -0.2554154 0.2150865 2.5686726 -0.1373943 -0.4623237 0.0416673 2.5805770 71 Sr 2.6874649 0.0543331 -0.2554154 -0.2150865 2.5686726 0.1373943 -0.4623237 -0.0416673 2.5805770 72 Sr 2.6874649 -0.0543331 0.2554154 0.2150865 2.5686726 0.1373943 0.4623237 -0.0416673 2.5805770 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 4 4 ] 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: 0.35, Number of G-points: 299, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/27) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 27 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 1.517 ( 0.000 0.000 0.000) 0.000 1.557 ( 0.000 0.000 0.000) 0.000 1.709 ( 0.000 0.000 0.000) 0.000 1.757 ( 0.000 0.000 0.000) 0.000 1.778 ( 0.000 0.000 0.000) 0.000 1.805 ( 0.000 0.000 0.000) 0.000 1.814 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.144 ( 0.000 0.000 0.000) 0.000 2.164 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.422 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.684 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 3.581 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.678 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.711 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 3.842 ( 0.000 0.000 0.000) 0.000 3.879 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 3.921 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 0.000 0.000) 0.000 4.015 ( 0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.271 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.490 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 4.756 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.822 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 5.065 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 5.453 ( 0.000 0.000 0.000) 0.000 5.484 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.670 ( 0.000 0.000 0.000) 0.000 5.687 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 5.764 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.014 ( 0.000 0.000 0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.078 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.440 ( 0.000 0.000 0.000) 0.000 6.465 ( 0.000 0.000 0.000) 0.000 6.513 ( 0.000 0.000 0.000) 0.000 6.515 ( 0.000 0.000 0.000) 0.000 6.562 ( 0.000 0.000 0.000) 0.000 6.585 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.614 ( 0.000 0.000 0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.358 ( 0.000 0.000 0.000) 0.000 7.379 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.416 ( 0.000 0.000 0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000 8.599 ( 0.000 0.000 0.000) 0.000 8.611 ( 0.000 0.000 0.000) 0.000 8.638 ( 0.000 0.000 0.000) 0.000 8.667 ( 0.000 0.000 0.000) 0.000 8.673 ( 0.000 0.000 0.000) 0.000 8.675 ( 0.000 0.000 0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 8.709 ( 0.000 0.000 0.000) 0.000 8.723 ( 0.000 0.000 0.000) 0.000 8.743 ( 0.000 0.000 0.000) 0.000 8.744 ( 0.000 0.000 0.000) 0.000 8.772 ( 0.000 0.000 0.000) 0.000 8.801 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 0.000 0.000) 0.000 8.869 ( 0.000 0.000 0.000) 0.000 8.920 ( 0.000 0.000 0.000) 0.000 8.925 ( 0.000 0.000 0.000) 0.000 8.942 ( 0.000 0.000 0.000) 0.000 8.995 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.133 ( 0.000 0.000 0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.432 ( 0.000 0.000 0.000) 0.000 9.520 ( 0.000 0.000 0.000) 0.000 9.536 ( 0.000 0.000 0.000) 0.000 9.604 ( 0.000 0.000 0.000) 0.000 9.624 ( 0.000 0.000 0.000) 0.000 9.671 ( 0.000 0.000 0.000) 0.000 9.770 ( 0.000 0.000 0.000) 0.000 9.811 ( 0.000 0.000 0.000) 0.000 9.840 ( 0.000 0.000 0.000) 0.000 9.892 ( 0.000 0.000 0.000) 0.000 9.905 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.123 ( 0.000 0.000 0.000) 0.000 10.124 ( 0.000 0.000 0.000) 0.000 10.265 ( 0.000 0.000 0.000) 0.000 10.271 ( 0.000 0.000 0.000) 0.000 10.338 ( 0.000 0.000 0.000) 0.000 10.379 ( 0.000 0.000 0.000) 0.000 10.391 ( 0.000 0.000 0.000) 0.000 10.419 ( 0.000 0.000 0.000) 0.000 10.422 ( 0.000 0.000 0.000) 0.000 10.455 ( 0.000 0.000 0.000) 0.000 10.491 ( 0.000 0.000 0.000) 0.000 10.517 ( 0.000 0.000 0.000) 0.000 10.582 ( 0.000 0.000 0.000) 0.000 10.634 ( 0.000 0.000 0.000) 0.000 10.780 ( 0.000 0.000 0.000) 0.000 10.824 ( 0.000 0.000 0.000) 0.000 10.912 ( 0.000 0.000 0.000) 0.000 10.921 ( 0.000 0.000 0.000) 0.000 10.923 ( 0.000 0.000 0.000) 0.000 10.944 ( 0.000 0.000 0.000) 0.000 11.019 ( 0.000 0.000 0.000) 0.000 11.032 ( 0.000 0.000 0.000) 0.000 11.189 ( 0.000 0.000 0.000) 0.000 11.214 ( 0.000 0.000 0.000) 0.000 11.221 ( 0.000 0.000 0.000) 0.000 11.264 ( 0.000 0.000 0.000) 0.000 11.312 ( 0.000 0.000 0.000) 0.000 11.377 ( 0.000 0.000 0.000) 0.000 11.617 ( 0.000 0.000 0.000) 0.000 11.695 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/27) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 23.484 0.000 0.000) 23.484 0.530 ( 28.855 0.000 0.000) 28.855 0.734 ( 38.759 0.000 0.000) 38.759 1.550 ( 2.330 0.000 0.000) 2.330 1.557 ( -9.190 0.000 0.000) 9.190 1.682 ( -2.619 0.000 0.000) 2.619 1.703 ( -1.570 0.000 0.000) 1.570 1.771 ( 1.315 0.000 0.000) 1.315 1.809 ( 0.618 0.000 0.000) 0.618 1.809 ( 1.698 0.000 0.000) 1.698 1.822 ( 1.337 0.000 0.000) 1.337 1.875 ( 0.486 0.000 0.000) 0.486 1.888 ( -12.081 0.000 0.000) 12.081 1.919 ( 1.736 0.000 0.000) 1.736 1.983 ( 0.317 0.000 0.000) 0.317 2.043 ( -2.520 0.000 0.000) 2.520 2.149 ( -0.167 0.000 0.000) 0.167 2.158 ( -0.463 0.000 0.000) 0.463 2.204 ( 5.173 0.000 0.000) 5.173 2.227 ( 2.720 0.000 0.000) 2.720 2.252 ( -5.559 0.000 0.000) 5.559 2.270 ( 5.785 0.000 0.000) 5.785 2.290 ( 0.596 0.000 0.000) 0.596 2.345 ( -0.197 0.000 0.000) 0.197 2.365 ( 9.725 0.000 0.000) 9.725 2.376 ( 2.953 0.000 0.000) 2.953 2.390 ( 1.072 0.000 0.000) 1.072 2.398 ( 0.142 0.000 0.000) 0.142 2.407 ( -0.590 0.000 0.000) 0.590 2.451 ( 5.073 0.000 0.000) 5.073 2.494 ( -6.367 0.000 0.000) 6.367 2.516 ( -2.907 0.000 0.000) 2.907 2.535 ( 2.749 0.000 0.000) 2.749 2.536 ( -1.167 0.000 0.000) 1.167 2.572 ( 2.382 0.000 0.000) 2.382 2.589 ( -3.787 0.000 0.000) 3.787 2.613 ( -4.633 0.000 0.000) 4.633 2.712 ( 2.258 0.000 0.000) 2.258 2.727 ( 0.657 0.000 0.000) 0.657 2.735 ( 3.585 0.000 0.000) 3.585 2.744 ( 0.880 0.000 0.000) 0.880 2.828 ( -0.989 0.000 0.000) 0.989 2.832 ( 2.298 0.000 0.000) 2.298 2.835 ( -7.919 0.000 0.000) 7.919 2.846 ( 0.221 0.000 0.000) 0.221 2.868 ( 4.905 0.000 0.000) 4.905 2.869 ( -1.493 0.000 0.000) 1.493 2.905 ( 2.766 0.000 0.000) 2.766 2.913 ( 0.866 0.000 0.000) 0.866 2.961 ( -1.236 0.000 0.000) 1.236 2.994 ( 5.131 0.000 0.000) 5.131 2.996 ( -2.355 0.000 0.000) 2.355 3.006 ( 1.318 0.000 0.000) 1.318 3.045 ( 8.404 0.000 0.000) 8.404 3.048 ( -5.869 0.000 0.000) 5.869 3.063 ( -2.954 0.000 0.000) 2.954 3.082 ( 2.691 0.000 0.000) 2.691 3.107 ( -0.213 0.000 0.000) 0.213 3.117 ( 0.418 0.000 0.000) 0.418 3.154 ( -4.415 0.000 0.000) 4.415 3.295 ( -0.584 0.000 0.000) 0.584 3.325 ( -3.254 0.000 0.000) 3.254 3.379 ( -0.106 0.000 0.000) 0.106 3.414 ( -0.955 0.000 0.000) 0.955 3.486 ( 6.658 0.000 0.000) 6.658 3.510 ( 3.847 0.000 0.000) 3.847 3.599 ( -8.476 0.000 0.000) 8.476 3.612 ( 4.114 0.000 0.000) 4.114 3.620 ( -2.237 0.000 0.000) 2.237 3.636 ( -3.351 0.000 0.000) 3.351 3.662 ( 1.328 0.000 0.000) 1.328 3.672 ( 10.226 0.000 0.000) 10.226 3.695 ( 1.686 0.000 0.000) 1.686 3.743 ( -5.015 0.000 0.000) 5.015 3.745 ( 4.443 0.000 0.000) 4.443 3.754 ( 4.552 0.000 0.000) 4.552 3.837 ( -2.407 0.000 0.000) 2.407 3.850 ( 1.276 0.000 0.000) 1.276 3.906 ( -4.579 0.000 0.000) 4.579 3.922 ( 1.314 0.000 0.000) 1.314 3.991 ( -0.923 0.000 0.000) 0.923 4.048 ( -0.192 0.000 0.000) 0.192 4.063 ( 1.388 0.000 0.000) 1.388 4.075 ( 6.837 0.000 0.000) 6.837 4.109 ( -0.821 0.000 0.000) 0.821 4.171 ( 6.153 0.000 0.000) 6.153 4.203 ( -5.332 0.000 0.000) 5.332 4.204 ( -1.360 0.000 0.000) 1.360 4.220 ( -4.344 0.000 0.000) 4.344 4.263 ( -6.122 0.000 0.000) 6.122 4.316 ( 4.550 0.000 0.000) 4.550 4.406 ( -3.875 0.000 0.000) 3.875 4.440 ( -4.326 0.000 0.000) 4.326 4.466 ( -0.318 0.000 0.000) 0.318 4.509 ( -3.035 0.000 0.000) 3.035 4.532 ( -9.212 0.000 0.000) 9.212 4.560 ( -1.436 0.000 0.000) 1.436 4.593 ( -1.939 0.000 0.000) 1.939 4.623 ( 4.347 0.000 0.000) 4.347 4.645 ( -0.798 0.000 0.000) 0.798 4.673 ( -5.745 0.000 0.000) 5.745 4.686 ( -2.596 0.000 0.000) 2.596 4.725 ( -2.196 0.000 0.000) 2.196 4.738 ( -1.586 0.000 0.000) 1.586 4.876 ( 3.943 0.000 0.000) 3.943 4.939 ( -1.044 0.000 0.000) 1.044 4.995 ( -2.278 0.000 0.000) 2.278 5.022 ( -0.414 0.000 0.000) 0.414 5.061 ( -0.183 0.000 0.000) 0.183 5.083 ( 1.986 0.000 0.000) 1.986 5.124 ( 1.032 0.000 0.000) 1.032 5.124 ( 4.185 0.000 0.000) 4.185 5.206 ( -0.181 0.000 0.000) 0.181 5.248 ( -5.300 0.000 0.000) 5.300 5.317 ( -0.786 0.000 0.000) 0.786 5.416 ( -4.012 0.000 0.000) 4.012 5.497 ( -2.445 0.000 0.000) 2.445 5.508 ( 1.667 0.000 0.000) 1.667 5.609 ( 1.558 0.000 0.000) 1.558 5.618 ( 3.228 0.000 0.000) 3.228 5.634 ( -3.284 0.000 0.000) 3.284 5.648 ( -1.333 0.000 0.000) 1.333 5.685 ( 2.023 0.000 0.000) 2.023 5.701 ( -1.416 0.000 0.000) 1.416 5.782 ( 2.392 0.000 0.000) 2.392 5.786 ( 2.956 0.000 0.000) 2.956 5.892 ( 1.718 0.000 0.000) 1.718 5.901 ( -0.358 0.000 0.000) 0.358 5.941 ( -1.481 0.000 0.000) 1.481 5.991 ( -4.982 0.000 0.000) 4.982 6.008 ( -1.067 0.000 0.000) 1.067 6.081 ( 1.935 0.000 0.000) 1.935 6.124 ( -3.708 0.000 0.000) 3.708 6.138 ( -2.080 0.000 0.000) 2.080 6.206 ( -2.232 0.000 0.000) 2.232 6.406 ( -10.585 0.000 0.000) 10.585 6.456 ( 1.834 0.000 0.000) 1.834 6.487 ( 1.967 0.000 0.000) 1.967 6.558 ( 4.285 0.000 0.000) 4.285 6.588 ( 1.954 0.000 0.000) 1.954 6.633 ( 1.672 0.000 0.000) 1.672 6.653 ( 2.984 0.000 0.000) 2.984 6.671 ( 0.397 0.000 0.000) 0.397 6.829 ( -3.230 0.000 0.000) 3.230 7.316 ( 3.155 0.000 0.000) 3.155 7.365 ( 0.850 0.000 0.000) 0.850 7.387 ( 0.562 0.000 0.000) 0.562 7.469 ( 4.617 0.000 0.000) 4.617 7.479 ( 3.108 0.000 0.000) 3.108 7.484 ( -1.044 0.000 0.000) 1.044 7.497 ( 4.171 0.000 0.000) 4.171 7.736 ( -2.435 0.000 0.000) 2.435 8.598 ( -0.016 0.000 0.000) 0.016 8.612 ( 0.092 0.000 0.000) 0.092 8.631 ( -0.606 0.000 0.000) 0.606 8.651 ( -1.810 0.000 0.000) 1.810 8.675 ( -0.100 0.000 0.000) 0.100 8.688 ( -0.299 0.000 0.000) 0.299 8.699 ( -0.678 0.000 0.000) 0.678 8.718 ( -1.823 0.000 0.000) 1.823 8.742 ( 1.589 0.000 0.000) 1.589 8.773 ( 2.559 0.000 0.000) 2.559 8.791 ( 1.570 0.000 0.000) 1.570 8.805 ( 0.772 0.000 0.000) 0.772 8.812 ( 1.340 0.000 0.000) 1.340 8.827 ( 1.554 0.000 0.000) 1.554 8.913 ( -0.724 0.000 0.000) 0.724 8.918 ( -1.829 0.000 0.000) 1.829 8.963 ( 3.918 0.000 0.000) 3.918 9.001 ( 1.000 0.000 0.000) 1.000 9.007 ( 1.233 0.000 0.000) 1.233 9.025 ( 0.077 0.000 0.000) 0.077 9.184 ( 0.912 0.000 0.000) 0.912 9.405 ( -2.871 0.000 0.000) 2.871 9.446 ( 0.084 0.000 0.000) 0.084 9.503 ( -1.653 0.000 0.000) 1.653 9.631 ( 2.864 0.000 0.000) 2.864 9.640 ( 1.931 0.000 0.000) 1.931 9.680 ( 0.771 0.000 0.000) 0.771 9.776 ( 0.374 0.000 0.000) 0.374 9.788 ( -2.074 0.000 0.000) 2.074 9.835 ( 1.595 0.000 0.000) 1.595 9.849 ( 0.989 0.000 0.000) 0.989 9.875 ( -1.722 0.000 0.000) 1.722 9.905 ( -0.101 0.000 0.000) 0.101 10.042 ( -6.937 0.000 0.000) 6.937 10.046 ( -2.349 0.000 0.000) 2.349 10.078 ( -4.487 0.000 0.000) 4.487 10.282 ( 0.482 0.000 0.000) 0.482 10.318 ( -1.627 0.000 0.000) 1.627 10.362 ( 0.903 0.000 0.000) 0.903 10.366 ( -1.301 0.000 0.000) 1.301 10.376 ( 1.313 0.000 0.000) 1.313 10.435 ( 0.968 0.000 0.000) 0.968 10.453 ( 2.430 0.000 0.000) 2.430 10.467 ( 0.966 0.000 0.000) 0.966 10.521 ( 2.512 0.000 0.000) 2.512 10.544 ( 1.891 0.000 0.000) 1.891 10.616 ( 3.928 0.000 0.000) 3.928 10.793 ( 1.490 0.000 0.000) 1.490 10.815 ( -0.622 0.000 0.000) 0.622 10.912 ( -0.840 0.000 0.000) 0.840 10.913 ( -1.086 0.000 0.000) 1.086 10.914 ( 0.024 0.000 0.000) 0.024 10.941 ( -0.358 0.000 0.000) 0.358 10.992 ( -2.776 0.000 0.000) 2.776 11.038 ( 0.690 0.000 0.000) 0.690 11.145 ( -2.422 0.000 0.000) 2.422 11.191 ( 0.692 0.000 0.000) 0.692 11.217 ( 0.299 0.000 0.000) 0.299 11.229 ( 0.411 0.000 0.000) 0.411 11.258 ( -0.658 0.000 0.000) 0.658 11.366 ( 5.211 0.000 0.000) 5.211 11.407 ( 3.155 0.000 0.000) 3.155 11.637 ( -2.855 0.000 0.000) 2.855 11.665 ( -3.199 0.000 0.000) 3.199 ======================= Grid point 2 (3/27) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 22.711 0.000 0.000) 22.711 1.026 ( 25.476 0.000 0.000) 25.476 1.239 ( -20.939 0.000 0.000) 20.939 1.300 ( 13.313 0.000 0.000) 13.313 1.528 ( -3.053 0.000 0.000) 3.053 1.623 ( -4.061 0.000 0.000) 4.061 1.689 ( 0.044 0.000 0.000) 0.044 1.761 ( 2.724 0.000 0.000) 2.724 1.787 ( -0.155 0.000 0.000) 0.155 1.813 ( -4.224 0.000 0.000) 4.224 1.854 ( 4.404 0.000 0.000) 4.404 1.887 ( 4.931 0.000 0.000) 4.931 1.938 ( -1.687 0.000 0.000) 1.687 1.948 ( 3.192 0.000 0.000) 3.192 2.002 ( 1.004 0.000 0.000) 1.004 2.012 ( 2.103 0.000 0.000) 2.103 2.093 ( -9.565 0.000 0.000) 9.565 2.106 ( -4.746 0.000 0.000) 4.746 2.167 ( 1.927 0.000 0.000) 1.927 2.238 ( -5.167 0.000 0.000) 5.167 2.282 ( 3.216 0.000 0.000) 3.216 2.282 ( 2.910 0.000 0.000) 2.910 2.320 ( 1.327 0.000 0.000) 1.327 2.346 ( -4.827 0.000 0.000) 4.827 2.373 ( 1.574 0.000 0.000) 1.574 2.378 ( 0.024 0.000 0.000) 0.024 2.388 ( -1.060 0.000 0.000) 1.060 2.435 ( -2.769 0.000 0.000) 2.769 2.442 ( 2.045 0.000 0.000) 2.045 2.467 ( 4.578 0.000 0.000) 4.578 2.505 ( 0.343 0.000 0.000) 0.343 2.516 ( -1.815 0.000 0.000) 1.815 2.534 ( -2.610 0.000 0.000) 2.610 2.541 ( -4.615 0.000 0.000) 4.615 2.576 ( 7.793 0.000 0.000) 7.793 2.587 ( 4.741 0.000 0.000) 4.741 2.641 ( -5.171 0.000 0.000) 5.171 2.695 ( -4.427 0.000 0.000) 4.427 2.729 ( 10.566 0.000 0.000) 10.566 2.770 ( 1.798 0.000 0.000) 1.798 2.787 ( 1.974 0.000 0.000) 1.974 2.790 ( 1.229 0.000 0.000) 1.229 2.830 ( -1.104 0.000 0.000) 1.104 2.843 ( 0.825 0.000 0.000) 0.825 2.857 ( 0.691 0.000 0.000) 0.691 2.881 ( 2.158 0.000 0.000) 2.158 2.887 ( 3.594 0.000 0.000) 3.594 2.913 ( -6.317 0.000 0.000) 6.317 2.926 ( -2.976 0.000 0.000) 2.976 2.940 ( -3.620 0.000 0.000) 3.620 2.947 ( -2.581 0.000 0.000) 2.581 2.985 ( -4.318 0.000 0.000) 4.318 2.997 ( 4.683 0.000 0.000) 4.683 3.013 ( -0.914 0.000 0.000) 0.914 3.026 ( -0.691 0.000 0.000) 0.691 3.062 ( -3.319 0.000 0.000) 3.319 3.123 ( 1.557 0.000 0.000) 1.557 3.126 ( 1.697 0.000 0.000) 1.697 3.153 ( 7.172 0.000 0.000) 7.172 3.250 ( -3.816 0.000 0.000) 3.816 3.293 ( 1.218 0.000 0.000) 1.218 3.325 ( 15.236 0.000 0.000) 15.236 3.361 ( -3.095 0.000 0.000) 3.095 3.397 ( -0.632 0.000 0.000) 0.632 3.422 ( -6.560 0.000 0.000) 6.560 3.538 ( -7.864 0.000 0.000) 7.864 3.545 ( 1.599 0.000 0.000) 1.599 3.609 ( 2.330 0.000 0.000) 2.330 3.629 ( -6.288 0.000 0.000) 6.288 3.629 ( 6.811 0.000 0.000) 6.811 3.699 ( -4.921 0.000 0.000) 4.921 3.701 ( -0.472 0.000 0.000) 0.472 3.734 ( 7.372 0.000 0.000) 7.372 3.811 ( 3.325 0.000 0.000) 3.325 3.835 ( 1.527 0.000 0.000) 1.527 3.848 ( 3.486 0.000 0.000) 3.486 3.872 ( 3.455 0.000 0.000) 3.455 3.886 ( 1.831 0.000 0.000) 1.831 3.903 ( 4.877 0.000 0.000) 4.877 3.946 ( -11.074 0.000 0.000) 11.074 3.948 ( 7.218 0.000 0.000) 7.218 3.994 ( 2.330 0.000 0.000) 2.330 4.027 ( -2.580 0.000 0.000) 2.580 4.090 ( -5.745 0.000 0.000) 5.745 4.091 ( -0.636 0.000 0.000) 0.636 4.092 ( 3.588 0.000 0.000) 3.588 4.196 ( -5.801 0.000 0.000) 5.801 4.205 ( 3.094 0.000 0.000) 3.094 4.242 ( 5.329 0.000 0.000) 5.329 4.270 ( -13.178 0.000 0.000) 13.178 4.288 ( 3.433 0.000 0.000) 3.433 4.338 ( -0.340 0.000 0.000) 0.340 4.343 ( -10.649 0.000 0.000) 10.649 4.404 ( 4.630 0.000 0.000) 4.630 4.428 ( -5.931 0.000 0.000) 5.931 4.462 ( -1.482 0.000 0.000) 1.482 4.551 ( 0.808 0.000 0.000) 0.808 4.582 ( 1.125 0.000 0.000) 1.125 4.589 ( -3.207 0.000 0.000) 3.207 4.623 ( -2.852 0.000 0.000) 2.852 4.634 ( 0.061 0.000 0.000) 0.061 4.663 ( -3.388 0.000 0.000) 3.388 4.699 ( 2.321 0.000 0.000) 2.321 4.718 ( -0.533 0.000 0.000) 0.533 4.926 ( 0.136 0.000 0.000) 0.136 4.947 ( 3.684 0.000 0.000) 3.684 4.952 ( -2.354 0.000 0.000) 2.354 5.000 ( -2.068 0.000 0.000) 2.068 5.071 ( 1.699 0.000 0.000) 1.699 5.128 ( -4.113 0.000 0.000) 4.113 5.135 ( 3.180 0.000 0.000) 3.180 5.163 ( 1.900 0.000 0.000) 1.900 5.201 ( 0.656 0.000 0.000) 0.656 5.232 ( 4.506 0.000 0.000) 4.506 5.268 ( -4.463 0.000 0.000) 4.463 5.326 ( -5.443 0.000 0.000) 5.443 5.496 ( 2.616 0.000 0.000) 2.616 5.536 ( 1.655 0.000 0.000) 1.655 5.575 ( -5.264 0.000 0.000) 5.264 5.576 ( -2.865 0.000 0.000) 2.865 5.641 ( 1.875 0.000 0.000) 1.875 5.670 ( 2.504 0.000 0.000) 2.504 5.674 ( -1.679 0.000 0.000) 1.679 5.705 ( -1.012 0.000 0.000) 1.012 5.847 ( 3.647 0.000 0.000) 3.647 5.864 ( 5.368 0.000 0.000) 5.368 5.902 ( 0.287 0.000 0.000) 0.287 5.906 ( -2.618 0.000 0.000) 2.618 5.928 ( 2.189 0.000 0.000) 2.189 5.966 ( 2.215 0.000 0.000) 2.215 5.971 ( -2.617 0.000 0.000) 2.617 6.040 ( -5.077 0.000 0.000) 5.077 6.094 ( -0.386 0.000 0.000) 0.386 6.123 ( 2.456 0.000 0.000) 2.456 6.165 ( -2.230 0.000 0.000) 2.230 6.198 ( -10.767 0.000 0.000) 10.767 6.496 ( 2.024 0.000 0.000) 2.024 6.512 ( 0.369 0.000 0.000) 0.369 6.633 ( 2.172 0.000 0.000) 2.172 6.650 ( 5.588 0.000 0.000) 5.588 6.653 ( 0.016 0.000 0.000) 0.016 6.683 ( 0.947 0.000 0.000) 0.947 6.688 ( 0.765 0.000 0.000) 0.765 6.750 ( -5.290 0.000 0.000) 5.290 7.384 ( 0.974 0.000 0.000) 0.974 7.386 ( 4.156 0.000 0.000) 4.156 7.393 ( -0.015 0.000 0.000) 0.015 7.451 ( -2.763 0.000 0.000) 2.763 7.532 ( 2.052 0.000 0.000) 2.052 7.535 ( 1.932 0.000 0.000) 1.932 7.586 ( 5.230 0.000 0.000) 5.230 7.674 ( -4.307 0.000 0.000) 4.307 8.602 ( 0.550 0.000 0.000) 0.550 8.614 ( 0.207 0.000 0.000) 0.207 8.620 ( -1.428 0.000 0.000) 1.428 8.621 ( -0.486 0.000 0.000) 0.486 8.675 ( 0.176 0.000 0.000) 0.176 8.681 ( -0.427 0.000 0.000) 0.427 8.689 ( -0.298 0.000 0.000) 0.298 8.693 ( -0.831 0.000 0.000) 0.831 8.774 ( 1.791 0.000 0.000) 1.791 8.802 ( -1.095 0.000 0.000) 1.095 8.809 ( 1.092 0.000 0.000) 1.092 8.812 ( 0.618 0.000 0.000) 0.618 8.847 ( 2.261 0.000 0.000) 2.261 8.862 ( 2.090 0.000 0.000) 2.090 8.886 ( -1.929 0.000 0.000) 1.929 8.894 ( -1.378 0.000 0.000) 1.378 9.015 ( 0.607 0.000 0.000) 0.607 9.023 ( -0.290 0.000 0.000) 0.290 9.029 ( 2.063 0.000 0.000) 2.063 9.032 ( 1.132 0.000 0.000) 1.132 9.230 ( 4.687 0.000 0.000) 4.687 9.330 ( -5.389 0.000 0.000) 5.389 9.452 ( 0.622 0.000 0.000) 0.622 9.472 ( -1.568 0.000 0.000) 1.568 9.690 ( 2.270 0.000 0.000) 2.270 9.693 ( 0.689 0.000 0.000) 0.689 9.697 ( 4.143 0.000 0.000) 4.143 9.764 ( -2.351 0.000 0.000) 2.351 9.765 ( 1.029 0.000 0.000) 1.029 9.828 ( -3.787 0.000 0.000) 3.787 9.869 ( 2.165 0.000 0.000) 2.165 9.872 ( 1.406 0.000 0.000) 1.406 9.896 ( -1.004 0.000 0.000) 1.004 9.927 ( -4.876 0.000 0.000) 4.876 10.002 ( -2.493 0.000 0.000) 2.493 10.003 ( -1.884 0.000 0.000) 1.884 10.286 ( 0.145 0.000 0.000) 0.145 10.294 ( -0.901 0.000 0.000) 0.901 10.357 ( 0.048 0.000 0.000) 0.048 10.360 ( -0.200 0.000 0.000) 0.200 10.421 ( 2.289 0.000 0.000) 2.289 10.444 ( -0.227 0.000 0.000) 0.227 10.480 ( 0.626 0.000 0.000) 0.626 10.481 ( 0.471 0.000 0.000) 0.471 10.558 ( 1.260 0.000 0.000) 1.260 10.565 ( 0.371 0.000 0.000) 0.371 10.708 ( 5.390 0.000 0.000) 5.390 10.786 ( -2.931 0.000 0.000) 2.931 10.837 ( 3.302 0.000 0.000) 3.302 10.894 ( -0.626 0.000 0.000) 0.626 10.896 ( -0.755 0.000 0.000) 0.755 10.897 ( -2.557 0.000 0.000) 2.557 10.935 ( -0.128 0.000 0.000) 0.128 10.943 ( -1.552 0.000 0.000) 1.552 11.060 ( 1.722 0.000 0.000) 1.722 11.099 ( -2.536 0.000 0.000) 2.536 11.214 ( 1.590 0.000 0.000) 1.590 11.224 ( 0.444 0.000 0.000) 0.444 11.231 ( -0.202 0.000 0.000) 0.202 11.241 ( -1.278 0.000 0.000) 1.278 11.475 ( 6.441 0.000 0.000) 6.441 11.481 ( 4.727 0.000 0.000) 4.727 11.567 ( -4.584 0.000 0.000) 4.584 11.585 ( -5.497 0.000 0.000) 5.497 ======================= Grid point 5 (4/27) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 0.000 23.184 0.000) 23.184 0.503 ( 0.000 24.431 0.000) 24.431 0.831 ( 0.000 40.458 0.000) 40.458 1.320 ( 0.000 -16.315 0.000) 16.315 1.374 ( 0.000 -16.433 0.000) 16.433 1.626 ( 0.000 -1.940 0.000) 1.940 1.757 ( 0.000 -4.737 0.000) 4.737 1.767 ( 0.000 2.573 0.000) 2.573 1.803 ( 0.000 3.791 0.000) 3.791 1.914 ( 0.000 0.260 0.000) 0.260 1.923 ( 0.000 4.210 0.000) 4.210 1.940 ( 0.000 -2.783 0.000) 2.783 1.950 ( 0.000 2.849 0.000) 2.849 2.003 ( 0.000 6.325 0.000) 6.325 2.012 ( 0.000 -4.002 0.000) 4.002 2.033 ( 0.000 5.927 0.000) 5.927 2.036 ( 0.000 -0.199 0.000) 0.199 2.113 ( 0.000 -2.004 0.000) 2.004 2.132 ( 0.000 -6.330 0.000) 6.330 2.185 ( 0.000 -3.791 0.000) 3.791 2.187 ( 0.000 -1.722 0.000) 1.722 2.295 ( 0.000 -4.812 0.000) 4.812 2.297 ( 0.000 7.527 0.000) 7.527 2.308 ( 0.000 -5.115 0.000) 5.115 2.311 ( 0.000 -0.045 0.000) 0.045 2.370 ( 0.000 -6.679 0.000) 6.679 2.375 ( 0.000 2.266 0.000) 2.266 2.377 ( 0.000 -2.767 0.000) 2.767 2.381 ( 0.000 2.324 0.000) 2.324 2.408 ( 0.000 0.231 0.000) 0.231 2.464 ( 0.000 6.720 0.000) 6.720 2.476 ( 0.000 -3.704 0.000) 3.704 2.521 ( 0.000 -2.277 0.000) 2.277 2.529 ( 0.000 -10.529 0.000) 10.529 2.554 ( 0.000 -4.467 0.000) 4.467 2.612 ( 0.000 -3.945 0.000) 3.945 2.629 ( 0.000 -4.515 0.000) 4.515 2.653 ( 0.000 -2.726 0.000) 2.726 2.674 ( 0.000 -0.160 0.000) 0.160 2.711 ( 0.000 -0.450 0.000) 0.450 2.718 ( 0.000 -2.710 0.000) 2.710 2.762 ( 0.000 -0.720 0.000) 0.720 2.805 ( 0.000 1.560 0.000) 1.560 2.812 ( 0.000 -3.026 0.000) 3.026 2.815 ( 0.000 -2.083 0.000) 2.083 2.828 ( 0.000 -0.928 0.000) 0.928 2.857 ( 0.000 0.609 0.000) 0.609 2.879 ( 0.000 0.554 0.000) 0.554 2.916 ( 0.000 -3.731 0.000) 3.731 2.921 ( 0.000 -1.946 0.000) 1.946 2.975 ( 0.000 2.499 0.000) 2.499 3.024 ( 0.000 2.914 0.000) 2.914 3.034 ( 0.000 2.246 0.000) 2.246 3.046 ( 0.000 6.185 0.000) 6.185 3.081 ( 0.000 2.336 0.000) 2.336 3.092 ( 0.000 -3.926 0.000) 3.926 3.137 ( 0.000 0.080 0.000) 0.080 3.152 ( 0.000 0.522 0.000) 0.522 3.213 ( 0.000 2.399 0.000) 2.399 3.221 ( 0.000 1.415 0.000) 1.415 3.312 ( 0.000 0.815 0.000) 0.815 3.364 ( 0.000 2.744 0.000) 2.744 3.419 ( 0.000 3.899 0.000) 3.899 3.430 ( 0.000 -0.865 0.000) 0.865 3.465 ( 0.000 2.034 0.000) 2.034 3.477 ( 0.000 -2.705 0.000) 2.705 3.519 ( 0.000 5.813 0.000) 5.813 3.538 ( 0.000 0.970 0.000) 0.970 3.604 ( 0.000 -2.370 0.000) 2.370 3.628 ( 0.000 -4.244 0.000) 4.244 3.709 ( 0.000 1.387 0.000) 1.387 3.748 ( 0.000 1.760 0.000) 1.760 3.761 ( 0.000 1.963 0.000) 1.963 3.761 ( 0.000 5.570 0.000) 5.570 3.845 ( 0.000 -0.032 0.000) 0.032 3.846 ( 0.000 -3.617 0.000) 3.617 3.875 ( 0.000 1.171 0.000) 1.171 3.894 ( 0.000 5.243 0.000) 5.243 3.912 ( 0.000 5.632 0.000) 5.632 3.931 ( 0.000 -2.580 0.000) 2.580 3.954 ( 0.000 2.110 0.000) 2.110 3.982 ( 0.000 -0.940 0.000) 0.940 3.989 ( 0.000 -3.119 0.000) 3.119 4.067 ( 0.000 -4.262 0.000) 4.262 4.113 ( 0.000 2.453 0.000) 2.453 4.129 ( 0.000 2.021 0.000) 2.021 4.219 ( 0.000 0.048 0.000) 0.048 4.263 ( 0.000 -0.055 0.000) 0.055 4.268 ( 0.000 1.116 0.000) 1.116 4.310 ( 0.000 -0.715 0.000) 0.715 4.349 ( 0.000 -1.585 0.000) 1.585 4.410 ( 0.000 -5.440 0.000) 5.440 4.473 ( 0.000 -0.393 0.000) 0.393 4.494 ( 0.000 -1.564 0.000) 1.564 4.539 ( 0.000 0.741 0.000) 0.741 4.573 ( 0.000 3.725 0.000) 3.725 4.580 ( 0.000 3.271 0.000) 3.271 4.609 ( 0.000 2.822 0.000) 2.822 4.691 ( 0.000 -2.412 0.000) 2.412 4.709 ( 0.000 0.546 0.000) 0.546 4.713 ( 0.000 2.739 0.000) 2.739 4.718 ( 0.000 -3.648 0.000) 3.648 4.728 ( 0.000 0.731 0.000) 0.731 4.808 ( 0.000 -2.247 0.000) 2.247 4.856 ( 0.000 2.937 0.000) 2.937 4.918 ( 0.000 -1.918 0.000) 1.918 4.961 ( 0.000 -2.434 0.000) 2.434 4.992 ( 0.000 -2.753 0.000) 2.753 5.057 ( 0.000 -0.658 0.000) 0.658 5.096 ( 0.000 -2.123 0.000) 2.123 5.140 ( 0.000 5.277 0.000) 5.277 5.152 ( 0.000 5.323 0.000) 5.323 5.319 ( 0.000 0.544 0.000) 0.544 5.325 ( 0.000 0.458 0.000) 0.458 5.453 ( 0.000 -2.659 0.000) 2.659 5.455 ( 0.000 0.317 0.000) 0.317 5.490 ( 0.000 -4.689 0.000) 4.689 5.510 ( 0.000 -1.934 0.000) 1.934 5.569 ( 0.000 1.224 0.000) 1.224 5.611 ( 0.000 0.233 0.000) 0.233 5.629 ( 0.000 0.209 0.000) 0.209 5.671 ( 0.000 -1.246 0.000) 1.246 5.693 ( 0.000 1.612 0.000) 1.612 5.700 ( 0.000 -0.470 0.000) 0.470 5.723 ( 0.000 -0.492 0.000) 0.492 5.799 ( 0.000 -2.597 0.000) 2.597 5.843 ( 0.000 5.276 0.000) 5.276 5.903 ( 0.000 -0.001 0.000) 0.001 5.941 ( 0.000 -1.366 0.000) 1.366 6.031 ( 0.000 -2.875 0.000) 2.875 6.043 ( 0.000 2.372 0.000) 2.372 6.106 ( 0.000 2.354 0.000) 2.354 6.132 ( 0.000 -1.826 0.000) 1.826 6.187 ( 0.000 -0.735 0.000) 0.735 6.286 ( 0.000 4.371 0.000) 4.371 6.452 ( 0.000 1.086 0.000) 1.086 6.471 ( 0.000 0.744 0.000) 0.744 6.476 ( 0.000 -3.405 0.000) 3.405 6.506 ( 0.000 -1.015 0.000) 1.015 6.536 ( 0.000 -1.848 0.000) 1.848 6.605 ( 0.000 1.358 0.000) 1.358 6.624 ( 0.000 0.833 0.000) 0.833 6.659 ( 0.000 -0.689 0.000) 0.689 6.665 ( 0.000 -1.274 0.000) 1.274 7.307 ( 0.000 2.024 0.000) 2.024 7.359 ( 0.000 -0.216 0.000) 0.216 7.369 ( 0.000 -0.757 0.000) 0.757 7.386 ( 0.000 0.504 0.000) 0.504 7.406 ( 0.000 -1.107 0.000) 1.107 7.432 ( 0.000 -2.030 0.000) 2.030 7.461 ( 0.000 1.155 0.000) 1.155 7.492 ( 0.000 -0.184 0.000) 0.184 8.601 ( 0.000 0.132 0.000) 0.132 8.609 ( 0.000 -0.173 0.000) 0.173 8.637 ( 0.000 0.067 0.000) 0.067 8.662 ( 0.000 -0.891 0.000) 0.891 8.672 ( 0.000 -0.186 0.000) 0.186 8.676 ( 0.000 0.839 0.000) 0.839 8.710 ( 0.000 -0.227 0.000) 0.227 8.710 ( 0.000 -0.076 0.000) 0.076 8.726 ( 0.000 -1.213 0.000) 1.213 8.743 ( 0.000 -2.582 0.000) 2.582 8.744 ( 0.000 0.075 0.000) 0.075 8.750 ( 0.000 -0.004 0.000) 0.004 8.821 ( 0.000 2.986 0.000) 2.986 8.858 ( 0.000 1.592 0.000) 1.592 8.881 ( 0.000 1.123 0.000) 1.123 8.929 ( 0.000 0.762 0.000) 0.762 8.936 ( 0.000 -0.750 0.000) 0.750 8.954 ( 0.000 -0.596 0.000) 0.596 8.998 ( 0.000 0.312 0.000) 0.312 9.019 ( 0.000 -0.410 0.000) 0.410 9.146 ( 0.000 1.276 0.000) 1.276 9.220 ( 0.000 -1.713 0.000) 1.713 9.439 ( 0.000 0.726 0.000) 0.726 9.496 ( 0.000 -1.856 0.000) 1.856 9.535 ( 0.000 -0.021 0.000) 0.021 9.563 ( 0.000 -1.800 0.000) 1.800 9.689 ( 0.000 3.938 0.000) 3.938 9.701 ( 0.000 2.472 0.000) 2.472 9.777 ( 0.000 0.152 0.000) 0.152 9.801 ( 0.000 -1.019 0.000) 1.019 9.842 ( 0.000 0.441 0.000) 0.441 9.898 ( 0.000 -0.139 0.000) 0.139 9.917 ( 0.000 1.248 0.000) 1.248 10.029 ( 0.000 -3.508 0.000) 3.508 10.082 ( 0.000 -2.263 0.000) 2.263 10.101 ( 0.000 -1.778 0.000) 1.778 10.283 ( 0.000 0.885 0.000) 0.885 10.290 ( 0.000 2.124 0.000) 2.124 10.351 ( 0.000 -2.825 0.000) 2.825 10.357 ( 0.000 -0.856 0.000) 0.856 10.445 ( 0.000 4.070 0.000) 4.070 10.458 ( 0.000 0.190 0.000) 0.190 10.477 ( 0.000 -0.937 0.000) 0.937 10.483 ( 0.000 2.228 0.000) 2.228 10.542 ( 0.000 -1.791 0.000) 1.791 10.571 ( 0.000 4.639 0.000) 4.639 10.574 ( 0.000 -3.942 0.000) 3.942 10.617 ( 0.000 2.971 0.000) 2.971 10.847 ( 0.000 5.867 0.000) 5.867 10.870 ( 0.000 -2.918 0.000) 2.918 10.900 ( 0.000 5.358 0.000) 5.358 10.902 ( 0.000 -1.791 0.000) 1.791 10.918 ( 0.000 -5.694 0.000) 5.694 10.967 ( 0.000 3.015 0.000) 3.015 10.998 ( 0.000 -5.217 0.000) 5.217 11.119 ( 0.000 -5.904 0.000) 5.904 11.210 ( 0.000 3.364 0.000) 3.364 11.286 ( 0.000 3.855 0.000) 3.855 11.292 ( 0.000 3.720 0.000) 3.720 11.303 ( 0.000 -0.843 0.000) 0.843 11.374 ( 0.000 -0.531 0.000) 0.531 11.535 ( 0.000 -6.300 0.000) 6.300 11.735 ( 0.000 2.332 0.000) 2.332 11.807 ( 0.000 -1.258 0.000) 1.258 ======================= Grid point 6 (5/27) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 12.687 17.053 0.000) 21.255 0.726 ( 20.496 16.436 0.000) 26.272 1.104 ( 24.011 27.574 0.000) 36.563 1.369 ( 4.924 -14.923 0.000) 15.714 1.450 ( 7.475 -14.380 0.000) 16.206 1.520 ( -11.979 -3.498 0.000) 12.479 1.661 ( -8.134 -6.774 0.000) 10.585 1.785 ( -0.349 2.286 0.000) 2.313 1.809 ( 0.152 2.500 0.000) 2.505 1.859 ( 0.879 1.229 0.000) 1.511 1.877 ( -4.675 3.219 0.000) 5.676 1.925 ( -2.317 -1.119 0.000) 2.573 1.931 ( -1.317 0.541 0.000) 1.424 1.955 ( -1.484 6.990 0.000) 7.146 1.998 ( -3.091 2.874 0.000) 4.220 2.054 ( 1.531 4.125 0.000) 4.400 2.091 ( 3.629 -1.208 0.000) 3.825 2.142 ( -2.397 -1.601 0.000) 2.882 2.205 ( 1.030 -6.708 0.000) 6.786 2.209 ( 3.939 -3.427 0.000) 5.221 2.228 ( 0.730 -6.248 0.000) 6.291 2.263 ( 5.841 -1.285 0.000) 5.980 2.287 ( -1.393 -2.068 0.000) 2.494 2.325 ( 1.875 4.330 0.000) 4.719 2.341 ( -1.463 -5.117 0.000) 5.322 2.376 ( 0.380 -1.370 0.000) 1.421 2.393 ( 0.993 -1.043 0.000) 1.440 2.396 ( 0.862 -1.739 0.000) 1.941 2.419 ( -0.470 1.332 0.000) 1.412 2.436 ( 5.009 -0.850 0.000) 5.081 2.459 ( -0.509 -4.898 0.000) 4.925 2.459 ( 2.390 5.202 0.000) 5.725 2.487 ( 2.891 -3.689 0.000) 4.687 2.537 ( 1.218 0.193 0.000) 1.233 2.568 ( -1.618 1.051 0.000) 1.929 2.601 ( -1.155 -1.014 0.000) 1.537 2.617 ( 2.698 -2.722 0.000) 3.832 2.658 ( 0.326 -4.889 0.000) 4.900 2.679 ( 0.211 -2.369 0.000) 2.379 2.727 ( -2.122 -1.383 0.000) 2.533 2.753 ( 2.441 -1.346 0.000) 2.787 2.773 ( -5.614 -3.427 0.000) 6.578 2.787 ( 2.332 0.171 0.000) 2.338 2.820 ( 1.160 -2.290 0.000) 2.567 2.822 ( 5.009 -0.938 0.000) 5.096 2.852 ( 1.360 0.796 0.000) 1.576 2.879 ( 3.098 0.352 0.000) 3.118 2.887 ( 0.326 -1.214 0.000) 1.257 2.938 ( 0.104 -1.990 0.000) 1.992 2.942 ( 4.419 -0.393 0.000) 4.437 2.996 ( -0.621 3.507 0.000) 3.562 3.022 ( -1.757 2.828 0.000) 3.329 3.032 ( 0.345 0.033 0.000) 0.347 3.040 ( -0.184 -0.127 0.000) 0.224 3.044 ( -1.518 2.442 0.000) 2.876 3.062 ( 1.066 1.069 0.000) 1.510 3.132 ( -1.278 0.859 0.000) 1.540 3.159 ( -0.722 0.268 0.000) 0.770 3.162 ( -4.157 1.829 0.000) 4.541 3.192 ( -1.759 5.543 0.000) 5.816 3.318 ( 1.002 1.048 0.000) 1.449 3.346 ( -3.380 0.337 0.000) 3.396 3.422 ( -2.623 3.470 0.000) 4.349 3.443 ( 0.544 1.467 0.000) 1.564 3.475 ( -1.094 -1.755 0.000) 2.068 3.479 ( -1.027 -1.390 0.000) 1.729 3.554 ( 4.058 4.137 0.000) 5.795 3.576 ( 0.936 0.719 0.000) 1.180 3.597 ( -2.863 -2.262 0.000) 3.649 3.620 ( 2.334 -5.148 0.000) 5.653 3.649 ( 2.771 -1.041 0.000) 2.960 3.731 ( -0.382 1.776 0.000) 1.817 3.765 ( 1.804 2.368 0.000) 2.976 3.778 ( 1.468 -0.024 0.000) 1.469 3.781 ( -0.969 4.128 0.000) 4.240 3.818 ( -2.599 0.285 0.000) 2.614 3.858 ( -0.508 4.250 0.000) 4.280 3.862 ( -2.461 3.960 0.000) 4.662 3.916 ( -0.266 4.979 0.000) 4.986 3.926 ( 1.246 -3.042 0.000) 3.287 3.986 ( 0.110 -1.635 0.000) 1.639 4.001 ( 0.707 -3.331 0.000) 3.405 4.029 ( 1.130 -1.890 0.000) 2.202 4.079 ( 4.796 -2.198 0.000) 5.275 4.128 ( -2.159 1.392 0.000) 2.569 4.179 ( -0.182 -0.986 0.000) 1.002 4.219 ( -5.868 1.141 0.000) 5.978 4.224 ( 4.919 4.203 0.000) 6.470 4.256 ( -4.935 1.187 0.000) 5.076 4.268 ( -4.541 0.066 0.000) 4.541 4.287 ( 0.339 -1.580 0.000) 1.616 4.432 ( 1.908 -1.821 0.000) 2.637 4.443 ( -5.249 -0.190 0.000) 5.252 4.469 ( -2.520 -1.292 0.000) 2.832 4.520 ( -1.316 0.866 0.000) 1.575 4.543 ( -4.724 2.092 0.000) 5.166 4.548 ( -2.036 5.720 0.000) 6.072 4.602 ( -0.603 2.360 0.000) 2.436 4.635 ( -4.575 -2.602 0.000) 5.263 4.685 ( -1.624 2.797 0.000) 3.234 4.689 ( -2.059 0.777 0.000) 2.201 4.700 ( -2.644 1.873 0.000) 3.240 4.705 ( -0.694 -3.012 0.000) 3.091 4.773 ( -3.324 1.837 0.000) 3.798 4.858 ( 2.035 -1.138 0.000) 2.331 4.917 ( -0.309 -1.976 0.000) 2.000 4.960 ( -0.546 -1.870 0.000) 1.948 4.994 ( -0.439 -2.256 0.000) 2.299 5.047 ( -0.013 -0.235 0.000) 0.235 5.111 ( 1.438 -1.821 0.000) 2.321 5.126 ( 0.067 3.583 0.000) 3.584 5.174 ( 1.849 3.095 0.000) 3.605 5.252 ( -5.402 0.795 0.000) 5.460 5.312 ( -7.682 6.232 0.000) 9.892 5.322 ( -1.150 0.253 0.000) 1.178 5.410 ( -4.490 -0.541 0.000) 4.523 5.463 ( -1.354 -2.683 0.000) 3.005 5.485 ( 2.136 -2.195 0.000) 3.062 5.601 ( 2.592 0.337 0.000) 2.614 5.619 ( -3.904 -0.909 0.000) 4.009 5.631 ( 1.966 0.126 0.000) 1.970 5.638 ( -2.388 -1.059 0.000) 2.612 5.682 ( 2.098 0.058 0.000) 2.099 5.701 ( -0.373 0.030 0.000) 0.375 5.753 ( 3.047 0.068 0.000) 3.047 5.826 ( 1.406 -1.468 0.000) 2.032 5.896 ( 3.819 3.617 0.000) 5.260 5.899 ( -0.329 0.048 0.000) 0.332 5.933 ( -0.887 -0.993 0.000) 1.332 6.026 ( -3.463 0.997 0.000) 3.604 6.029 ( -1.750 1.925 0.000) 2.602 6.065 ( 0.233 -0.213 0.000) 0.315 6.107 ( -2.733 -1.308 0.000) 3.030 6.135 ( -3.051 -0.830 0.000) 3.162 6.245 ( -3.839 3.224 0.000) 5.013 6.381 ( -9.606 -2.391 0.000) 9.899 6.469 ( 2.038 1.268 0.000) 2.400 6.502 ( 2.839 1.629 0.000) 3.273 6.540 ( 3.757 -1.592 0.000) 4.081 6.609 ( 2.269 0.749 0.000) 2.389 6.627 ( 3.314 -1.269 0.000) 3.548 6.643 ( 1.687 0.876 0.000) 1.901 6.671 ( 1.037 -0.096 0.000) 1.041 6.765 ( 2.040 -4.991 0.000) 5.392 7.335 ( 2.919 1.880 0.000) 3.472 7.367 ( 1.425 0.363 0.000) 1.470 7.394 ( 0.875 0.671 0.000) 1.102 7.452 ( 4.063 -1.676 0.000) 4.395 7.458 ( 2.135 -2.156 0.000) 3.034 7.469 ( 3.627 -2.323 0.000) 4.308 7.493 ( 0.419 0.166 0.000) 0.451 7.550 ( 6.704 -8.210 0.000) 10.599 8.600 ( -0.001 0.161 0.000) 0.161 8.610 ( 0.095 -0.186 0.000) 0.209 8.631 ( -0.545 0.085 0.000) 0.552 8.644 ( -1.476 -0.469 0.000) 1.549 8.672 ( -0.040 -0.142 0.000) 0.147 8.688 ( -0.032 0.275 0.000) 0.277 8.697 ( -0.694 -0.374 0.000) 0.788 8.714 ( -1.426 -0.488 0.000) 1.507 8.733 ( 1.619 -0.454 0.000) 1.682 8.755 ( 1.298 -1.855 0.000) 2.264 8.761 ( 1.884 -0.451 0.000) 1.938 8.790 ( 1.833 -1.190 0.000) 2.185 8.839 ( 1.772 2.181 0.000) 2.810 8.864 ( 0.666 1.511 0.000) 1.651 8.911 ( 0.046 0.192 0.000) 0.197 8.922 ( -0.967 0.166 0.000) 0.981 8.962 ( 4.318 0.599 0.000) 4.359 9.004 ( 3.009 -0.376 0.000) 3.033 9.010 ( 1.252 0.316 0.000) 1.291 9.024 ( 0.447 -0.108 0.000) 0.460 9.182 ( 2.269 0.378 0.000) 2.300 9.325 ( 9.201 -8.716 0.000) 12.673 9.418 ( -2.376 1.157 0.000) 2.643 9.484 ( -1.200 -1.603 0.000) 2.002 9.577 ( 4.271 -3.196 0.000) 5.334 9.591 ( 3.868 -2.887 0.000) 4.827 9.701 ( -0.126 1.906 0.000) 1.910 9.702 ( 1.572 3.333 0.000) 3.685 9.781 ( 0.257 0.005 0.000) 0.257 9.784 ( -1.503 -0.621 0.000) 1.626 9.826 ( -1.706 -1.016 0.000) 1.986 9.880 ( -2.212 -1.289 0.000) 2.560 9.913 ( -0.311 1.436 0.000) 1.469 10.018 ( -4.147 0.921 0.000) 4.248 10.036 ( 0.621 -3.279 0.000) 3.338 10.106 ( -1.673 -0.231 0.000) 1.689 10.286 ( 0.194 0.647 0.000) 0.675 10.302 ( 1.107 1.049 0.000) 1.525 10.352 ( -0.707 -1.036 0.000) 1.254 10.359 ( 0.023 -2.868 0.000) 2.868 10.405 ( -1.242 2.159 0.000) 2.491 10.442 ( -2.421 1.700 0.000) 2.958 10.479 ( -0.602 0.427 0.000) 0.739 10.488 ( 1.118 1.107 0.000) 1.573 10.498 ( -0.152 -1.169 0.000) 1.178 10.579 ( -0.019 3.398 0.000) 3.398 10.646 ( 4.135 -7.638 0.000) 8.686 10.667 ( 4.174 3.122 0.000) 5.212 10.846 ( -0.269 4.595 0.000) 4.603 10.846 ( -1.718 -2.890 0.000) 3.362 10.880 ( -1.385 5.203 0.000) 5.384 10.902 ( -0.003 -1.551 0.000) 1.551 10.965 ( 3.469 -4.837 0.000) 5.952 10.988 ( -0.362 -3.030 0.000) 3.051 10.990 ( 1.581 1.900 0.000) 2.471 11.113 ( -0.695 -5.339 0.000) 5.384 11.215 ( 0.682 3.730 0.000) 3.792 11.286 ( 0.201 4.112 0.000) 4.117 11.288 ( -0.471 3.479 0.000) 3.510 11.351 ( 4.681 -1.511 0.000) 4.919 11.399 ( 2.682 -1.017 0.000) 2.868 11.486 ( -5.880 -0.780 0.000) 5.932 11.641 ( -9.652 4.822 0.000) 10.790 11.703 ( -4.799 1.407 0.000) 5.001 ======================= Grid point 7 (6/27) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 18.069 6.596 0.000) 19.236 1.116 ( 16.757 8.154 0.000) 18.636 1.237 ( -12.720 1.993 0.000) 12.875 1.393 ( 2.105 -1.748 0.000) 2.736 1.535 ( -3.819 -9.034 0.000) 9.808 1.545 ( 1.431 -3.067 0.000) 3.384 1.616 ( 0.116 7.523 0.000) 7.524 1.629 ( 7.486 -11.527 0.000) 13.744 1.821 ( -0.372 2.772 0.000) 2.796 1.865 ( 1.333 1.840 0.000) 2.273 1.869 ( -2.699 3.772 0.000) 4.638 1.879 ( -1.304 -1.124 0.000) 1.721 1.954 ( 1.937 2.348 0.000) 3.043 1.962 ( 5.069 2.974 0.000) 5.877 1.999 ( 1.546 0.324 0.000) 1.580 2.038 ( -2.304 1.864 0.000) 2.963 2.060 ( -5.219 -3.411 0.000) 6.234 2.124 ( -3.641 -0.277 0.000) 3.652 2.182 ( -1.030 -2.787 0.000) 2.971 2.204 ( -4.123 2.124 0.000) 4.638 2.248 ( 1.058 -3.920 0.000) 4.060 2.257 ( 0.384 -6.508 0.000) 6.520 2.294 ( 3.454 -6.002 0.000) 6.925 2.348 ( -1.680 -2.114 0.000) 2.701 2.371 ( 0.372 -0.206 0.000) 0.426 2.375 ( 1.512 3.123 0.000) 3.470 2.398 ( -0.957 2.102 0.000) 2.310 2.422 ( 0.537 -0.003 0.000) 0.537 2.434 ( 2.957 0.358 0.000) 2.978 2.465 ( 1.239 1.519 0.000) 1.960 2.495 ( -0.528 2.141 0.000) 2.205 2.526 ( 0.242 0.412 0.000) 0.478 2.550 ( 1.142 1.553 0.000) 1.928 2.561 ( 0.868 1.161 0.000) 1.449 2.579 ( 4.793 -0.180 0.000) 4.796 2.611 ( 1.704 0.975 0.000) 1.964 2.625 ( 0.811 -1.846 0.000) 2.016 2.657 ( -1.658 -1.619 0.000) 2.317 2.660 ( -3.450 -4.184 0.000) 5.423 2.665 ( -1.510 -5.102 0.000) 5.321 2.806 ( 3.402 1.192 0.000) 3.605 2.808 ( 8.328 -5.501 0.000) 9.981 2.840 ( -0.382 -0.192 0.000) 0.428 2.850 ( 1.636 -1.364 0.000) 2.130 2.860 ( 4.507 2.742 0.000) 5.276 2.873 ( -0.073 0.652 0.000) 0.657 2.876 ( -2.696 -3.461 0.000) 4.387 2.926 ( -0.106 -1.038 0.000) 1.043 2.928 ( -0.826 -0.760 0.000) 1.122 2.964 ( -0.863 4.131 0.000) 4.220 2.968 ( -3.314 3.633 0.000) 4.917 3.005 ( 2.597 2.249 0.000) 3.435 3.007 ( -4.205 2.876 0.000) 5.094 3.028 ( 2.194 0.962 0.000) 2.396 3.044 ( -1.810 0.657 0.000) 1.925 3.087 ( -4.400 1.497 0.000) 4.648 3.098 ( 3.564 -0.809 0.000) 3.655 3.128 ( 1.143 -0.890 0.000) 1.449 3.150 ( -0.067 -1.707 0.000) 1.708 3.228 ( -8.217 -1.756 0.000) 8.403 3.248 ( 6.005 -0.077 0.000) 6.006 3.344 ( -5.985 -3.193 0.000) 6.784 3.383 ( 5.963 1.780 0.000) 6.223 3.408 ( -1.118 2.498 0.000) 2.737 3.432 ( -1.743 -3.306 0.000) 3.737 3.481 ( 5.612 3.721 0.000) 6.733 3.526 ( -7.954 -4.588 0.000) 9.182 3.579 ( -1.930 0.297 0.000) 1.953 3.582 ( 1.272 -1.806 0.000) 2.209 3.677 ( -5.381 -0.187 0.000) 5.384 3.733 ( 5.487 -2.248 0.000) 5.930 3.735 ( 2.972 2.492 0.000) 3.879 3.784 ( 2.659 1.643 0.000) 3.126 3.797 ( 1.332 2.634 0.000) 2.952 3.854 ( 1.575 4.276 0.000) 4.556 3.869 ( 2.389 -0.610 0.000) 2.466 3.871 ( 3.142 1.324 0.000) 3.410 3.890 ( 4.420 2.304 0.000) 4.984 3.929 ( 2.506 2.265 0.000) 3.378 3.956 ( 3.726 -1.439 0.000) 3.994 3.972 ( -4.285 2.327 0.000) 4.876 4.001 ( 1.826 -0.870 0.000) 2.023 4.007 ( 0.194 -1.197 0.000) 1.212 4.080 ( -6.697 2.411 0.000) 7.118 4.081 ( 1.969 0.273 0.000) 1.988 4.145 ( -2.934 -0.343 0.000) 2.954 4.171 ( -4.725 -1.879 0.000) 5.084 4.182 ( -1.183 -3.849 0.000) 4.026 4.188 ( 1.593 -0.480 0.000) 1.664 4.263 ( 0.610 -2.056 0.000) 2.144 4.281 ( -9.897 1.075 0.000) 9.955 4.347 ( -10.025 -0.593 0.000) 10.043 4.367 ( 5.372 3.018 0.000) 6.161 4.448 ( -4.086 2.016 0.000) 4.556 4.474 ( 2.384 3.078 0.000) 3.893 4.519 ( 1.494 -0.775 0.000) 1.683 4.521 ( -2.240 4.345 0.000) 4.888 4.563 ( -3.239 -1.756 0.000) 3.685 4.605 ( 1.246 0.854 0.000) 1.511 4.646 ( -2.810 -0.674 0.000) 2.890 4.653 ( -1.082 1.573 0.000) 1.909 4.659 ( -1.682 3.135 0.000) 3.558 4.713 ( 1.321 -0.356 0.000) 1.368 4.735 ( -0.990 1.829 0.000) 2.080 4.904 ( 2.089 -1.906 0.000) 2.828 4.919 ( 1.452 -2.575 0.000) 2.956 4.935 ( -1.908 -1.396 0.000) 2.364 4.965 ( -2.548 -2.682 0.000) 3.699 5.074 ( 2.978 1.017 0.000) 3.147 5.137 ( -2.093 1.549 0.000) 2.604 5.156 ( 3.609 -1.573 0.000) 3.937 5.176 ( -0.088 2.417 0.000) 2.419 5.218 ( 1.716 -0.756 0.000) 1.875 5.231 ( -2.826 3.063 0.000) 4.167 5.275 ( -2.378 -0.033 0.000) 2.379 5.321 ( -4.861 -0.686 0.000) 4.909 5.474 ( 2.554 -1.125 0.000) 2.790 5.522 ( 2.257 -1.647 0.000) 2.794 5.541 ( -4.404 -1.257 0.000) 4.580 5.575 ( -3.656 -1.315 0.000) 3.885 5.647 ( 2.493 0.601 0.000) 2.564 5.671 ( 2.243 -0.051 0.000) 2.243 5.685 ( -1.491 0.840 0.000) 1.711 5.702 ( -0.786 -0.194 0.000) 0.809 5.835 ( 5.493 0.034 0.000) 5.493 5.872 ( 3.133 -0.426 0.000) 3.162 5.897 ( -0.193 -0.195 0.000) 0.274 5.910 ( -1.834 -0.022 0.000) 1.834 5.959 ( 1.930 2.506 0.000) 3.163 5.978 ( 0.095 0.844 0.000) 0.849 5.981 ( -2.868 1.124 0.000) 3.080 6.038 ( -4.535 -0.430 0.000) 4.556 6.076 ( 1.446 -0.625 0.000) 1.575 6.124 ( 2.449 -0.662 0.000) 2.537 6.174 ( -4.586 0.673 0.000) 4.635 6.194 ( -8.730 -0.273 0.000) 8.734 6.516 ( 2.482 1.898 0.000) 3.125 6.537 ( 0.473 2.387 0.000) 2.433 6.617 ( 4.122 -2.364 0.000) 4.751 6.645 ( 1.203 0.257 0.000) 1.230 6.665 ( 0.473 0.996 0.000) 1.102 6.666 ( 0.696 -0.992 0.000) 1.212 6.694 ( 1.608 0.294 0.000) 1.634 6.739 ( -3.201 -1.394 0.000) 3.491 7.394 ( 1.151 1.091 0.000) 1.587 7.394 ( 2.307 1.118 0.000) 2.564 7.411 ( 1.560 1.432 0.000) 2.118 7.455 ( -1.892 0.357 0.000) 1.926 7.514 ( 1.996 -1.875 0.000) 2.739 7.517 ( 1.335 -1.317 0.000) 1.875 7.540 ( 3.836 -3.884 0.000) 5.459 7.590 ( -1.151 -6.297 0.000) 6.402 8.604 ( 0.478 0.146 0.000) 0.499 8.613 ( 0.269 -0.146 0.000) 0.306 8.619 ( -1.191 -0.055 0.000) 1.192 8.621 ( -0.563 0.000 0.000) 0.563 8.673 ( 0.244 -0.054 0.000) 0.250 8.681 ( -0.552 0.075 0.000) 0.557 8.687 ( -0.252 -0.304 0.000) 0.395 8.692 ( -0.780 -0.197 0.000) 0.805 8.762 ( 1.514 -0.675 0.000) 1.658 8.780 ( -0.114 -0.869 0.000) 0.876 8.783 ( 1.541 -1.364 0.000) 2.058 8.802 ( -0.345 -0.969 0.000) 1.029 8.875 ( 1.934 1.093 0.000) 2.222 8.880 ( 1.055 1.390 0.000) 1.745 8.899 ( -1.087 0.823 0.000) 1.364 8.903 ( -1.088 0.643 0.000) 1.264 9.026 ( 1.144 0.881 0.000) 1.444 9.030 ( 0.244 0.568 0.000) 0.618 9.035 ( 1.132 0.282 0.000) 1.166 9.037 ( 1.272 0.525 0.000) 1.376 9.249 ( 5.533 2.086 0.000) 5.913 9.352 ( -4.985 2.125 0.000) 5.419 9.423 ( 2.624 -3.440 0.000) 4.327 9.458 ( -1.616 -1.517 0.000) 2.217 9.643 ( 3.578 -2.060 0.000) 4.129 9.690 ( -1.366 -0.113 0.000) 1.371 9.704 ( 5.930 -7.897 0.000) 9.876 9.742 ( 1.994 1.871 0.000) 2.734 9.769 ( -1.834 0.298 0.000) 1.858 9.773 ( 1.358 -0.310 0.000) 1.393 9.792 ( -2.579 -4.897 0.000) 5.535 9.817 ( -3.543 -1.387 0.000) 3.804 9.914 ( 0.716 2.439 0.000) 2.542 9.953 ( -3.326 3.689 0.000) 4.967 10.047 ( 0.561 -0.841 0.000) 1.011 10.064 ( -1.805 1.601 0.000) 2.413 10.291 ( 0.477 0.586 0.000) 0.756 10.306 ( -0.983 0.847 0.000) 1.297 10.345 ( 0.322 -1.785 0.000) 1.814 10.350 ( -0.320 -1.575 0.000) 1.607 10.412 ( 0.459 -0.867 0.000) 0.981 10.413 ( -0.372 1.109 0.000) 1.170 10.473 ( 0.271 -1.350 0.000) 1.377 10.486 ( -0.749 -0.756 0.000) 1.064 10.532 ( 2.322 0.069 0.000) 2.323 10.566 ( -1.375 1.864 0.000) 2.316 10.709 ( 2.727 -7.168 0.000) 7.669 10.725 ( 1.514 -1.285 0.000) 1.986 10.822 ( -0.686 -0.644 0.000) 0.941 10.830 ( -1.227 2.798 0.000) 3.055 10.870 ( 0.305 4.305 0.000) 4.316 10.886 ( -1.366 0.989 0.000) 1.687 10.995 ( 1.177 -2.105 0.000) 2.412 11.007 ( 0.143 -0.070 0.000) 0.159 11.035 ( 3.588 -2.370 0.000) 4.300 11.089 ( -2.189 -3.693 0.000) 4.293 11.239 ( 1.928 4.321 0.000) 4.731 11.273 ( -1.364 3.305 0.000) 3.576 11.299 ( 1.466 5.152 0.000) 5.357 11.360 ( -5.962 7.613 0.000) 9.670 11.440 ( 4.516 -2.544 0.000) 5.183 11.478 ( 6.232 -1.199 0.000) 6.346 11.522 ( -4.818 -1.922 0.000) 5.187 11.599 ( -6.592 -0.312 0.000) 6.600 ======================= Grid point 10 (7/27) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.000 -21.143 0.000) 21.143 0.927 ( 0.000 21.143 0.000) 21.143 0.975 ( 0.000 -22.088 0.000) 22.088 0.975 ( 0.000 22.088 0.000) 22.088 1.605 ( 0.000 -32.710 0.000) 32.710 1.605 ( 0.000 32.710 0.000) 32.710 1.651 ( 0.000 -4.170 0.000) 4.170 1.651 ( 0.000 4.170 0.000) 4.170 1.851 ( 0.000 -4.978 0.000) 4.978 1.851 ( 0.000 4.978 0.000) 4.978 1.930 ( 0.000 -1.109 0.000) 1.109 1.930 ( 0.000 1.109 0.000) 1.109 1.955 ( 0.000 -1.875 0.000) 1.875 1.955 ( 0.000 1.875 0.000) 1.875 1.991 ( 0.000 -1.587 0.000) 1.587 1.991 ( 0.000 1.587 0.000) 1.587 2.128 ( 0.000 -5.500 0.000) 5.500 2.128 ( 0.000 5.500 0.000) 5.500 2.164 ( 0.000 -7.714 0.000) 7.714 2.164 ( 0.000 7.714 0.000) 7.714 2.198 ( 0.000 -2.293 0.000) 2.293 2.198 ( 0.000 2.293 0.000) 2.293 2.228 ( 0.000 -9.946 0.000) 9.946 2.228 ( 0.000 9.946 0.000) 9.946 2.288 ( 0.000 -1.720 0.000) 1.720 2.288 ( 0.000 1.720 0.000) 1.720 2.401 ( 0.000 -1.877 0.000) 1.877 2.401 ( 0.000 1.877 0.000) 1.877 2.432 ( 0.000 -2.949 0.000) 2.949 2.432 ( 0.000 2.949 0.000) 2.949 2.454 ( 0.000 -4.701 0.000) 4.701 2.454 ( 0.000 4.701 0.000) 4.701 2.473 ( 0.000 -2.166 0.000) 2.166 2.473 ( 0.000 2.166 0.000) 2.166 2.594 ( 0.000 -2.877 0.000) 2.877 2.594 ( 0.000 2.877 0.000) 2.877 2.608 ( 0.000 -3.101 0.000) 3.101 2.608 ( 0.000 3.101 0.000) 3.101 2.618 ( 0.000 -5.747 0.000) 5.747 2.618 ( 0.000 5.747 0.000) 5.747 2.736 ( 0.000 -1.604 0.000) 1.604 2.736 ( 0.000 1.604 0.000) 1.604 2.783 ( 0.000 -0.472 0.000) 0.472 2.783 ( 0.000 0.472 0.000) 0.472 2.831 ( 0.000 -0.425 0.000) 0.425 2.831 ( 0.000 0.425 0.000) 0.425 2.877 ( 0.000 -1.222 0.000) 1.222 2.877 ( 0.000 1.222 0.000) 1.222 2.889 ( 0.000 -0.641 0.000) 0.641 2.889 ( 0.000 0.641 0.000) 0.641 3.014 ( 0.000 -1.914 0.000) 1.914 3.014 ( 0.000 1.914 0.000) 1.914 3.061 ( 0.000 -0.208 0.000) 0.208 3.061 ( 0.000 0.208 0.000) 0.208 3.112 ( 0.000 -1.433 0.000) 1.433 3.112 ( 0.000 1.433 0.000) 1.433 3.142 ( 0.000 -1.649 0.000) 1.649 3.142 ( 0.000 1.649 0.000) 1.649 3.277 ( 0.000 -3.951 0.000) 3.951 3.277 ( 0.000 3.951 0.000) 3.951 3.308 ( 0.000 -5.840 0.000) 5.840 3.308 ( 0.000 5.840 0.000) 5.840 3.446 ( 0.000 -3.141 0.000) 3.141 3.446 ( 0.000 3.141 0.000) 3.141 3.484 ( 0.000 -0.776 0.000) 0.776 3.484 ( 0.000 0.776 0.000) 0.776 3.558 ( 0.000 -1.383 0.000) 1.383 3.558 ( 0.000 1.383 0.000) 1.383 3.609 ( 0.000 -0.387 0.000) 0.387 3.609 ( 0.000 0.387 0.000) 0.387 3.761 ( 0.000 -3.382 0.000) 3.382 3.761 ( 0.000 3.382 0.000) 3.382 3.800 ( 0.000 -4.104 0.000) 4.104 3.800 ( 0.000 4.104 0.000) 4.104 3.825 ( 0.000 -4.542 0.000) 4.542 3.825 ( 0.000 4.542 0.000) 4.542 3.897 ( 0.000 -4.988 0.000) 4.988 3.897 ( 0.000 4.988 0.000) 4.988 3.930 ( 0.000 -5.693 0.000) 5.693 3.930 ( 0.000 5.693 0.000) 5.693 3.972 ( 0.000 -1.500 0.000) 1.500 3.972 ( 0.000 1.500 0.000) 1.500 3.989 ( 0.000 -0.793 0.000) 0.793 3.989 ( 0.000 0.793 0.000) 0.793 4.149 ( 0.000 -0.236 0.000) 0.236 4.149 ( 0.000 0.236 0.000) 0.236 4.270 ( 0.000 -5.845 0.000) 5.845 4.270 ( 0.000 5.845 0.000) 5.845 4.285 ( 0.000 -1.734 0.000) 1.734 4.285 ( 0.000 1.734 0.000) 1.734 4.309 ( 0.000 -2.246 0.000) 2.246 4.309 ( 0.000 2.246 0.000) 2.246 4.478 ( 0.000 -0.614 0.000) 0.614 4.478 ( 0.000 0.614 0.000) 0.614 4.621 ( 0.000 -5.385 0.000) 5.385 4.621 ( 0.000 5.385 0.000) 5.385 4.632 ( 0.000 -1.997 0.000) 1.997 4.632 ( 0.000 1.997 0.000) 1.997 4.676 ( 0.000 -3.127 0.000) 3.127 4.676 ( 0.000 3.127 0.000) 3.127 4.694 ( 0.000 -5.657 0.000) 5.657 4.694 ( 0.000 5.657 0.000) 5.657 4.750 ( 0.000 -0.979 0.000) 0.979 4.750 ( 0.000 0.979 0.000) 0.979 4.901 ( 0.000 -0.928 0.000) 0.928 4.901 ( 0.000 0.928 0.000) 0.928 4.947 ( 0.000 -1.105 0.000) 1.105 4.947 ( 0.000 1.105 0.000) 1.105 5.056 ( 0.000 -1.132 0.000) 1.132 5.056 ( 0.000 1.132 0.000) 1.132 5.220 ( 0.000 -0.445 0.000) 0.445 5.220 ( 0.000 0.445 0.000) 0.445 5.327 ( 0.000 -0.260 0.000) 0.260 5.327 ( 0.000 0.260 0.000) 0.260 5.418 ( 0.000 -0.902 0.000) 0.902 5.418 ( 0.000 0.902 0.000) 0.902 5.472 ( 0.000 -1.467 0.000) 1.467 5.472 ( 0.000 1.467 0.000) 1.467 5.597 ( 0.000 -1.345 0.000) 1.345 5.597 ( 0.000 1.345 0.000) 1.345 5.643 ( 0.000 -1.195 0.000) 1.195 5.643 ( 0.000 1.195 0.000) 1.195 5.705 ( 0.000 -0.638 0.000) 0.638 5.705 ( 0.000 0.638 0.000) 0.638 5.742 ( 0.000 -2.609 0.000) 2.609 5.742 ( 0.000 2.609 0.000) 2.609 5.914 ( 0.000 -1.084 0.000) 1.084 5.914 ( 0.000 1.084 0.000) 1.084 5.951 ( 0.000 -4.941 0.000) 4.941 5.951 ( 0.000 4.941 0.000) 4.941 6.092 ( 0.000 -2.261 0.000) 2.261 6.092 ( 0.000 2.261 0.000) 2.261 6.156 ( 0.000 -2.244 0.000) 2.244 6.156 ( 0.000 2.244 0.000) 2.244 6.386 ( 0.000 -5.134 0.000) 5.134 6.386 ( 0.000 5.134 0.000) 5.134 6.480 ( 0.000 -1.496 0.000) 1.496 6.480 ( 0.000 1.496 0.000) 1.496 6.497 ( 0.000 -1.774 0.000) 1.774 6.497 ( 0.000 1.774 0.000) 1.774 6.635 ( 0.000 -1.563 0.000) 1.563 6.635 ( 0.000 1.563 0.000) 1.563 6.643 ( 0.000 -0.914 0.000) 0.914 6.643 ( 0.000 0.914 0.000) 0.914 7.358 ( 0.000 -0.232 0.000) 0.232 7.358 ( 0.000 0.232 0.000) 0.232 7.360 ( 0.000 -2.974 0.000) 2.974 7.360 ( 0.000 2.974 0.000) 2.974 7.401 ( 0.000 -0.985 0.000) 0.985 7.401 ( 0.000 0.985 0.000) 0.985 7.482 ( 0.000 -0.803 0.000) 0.803 7.482 ( 0.000 0.803 0.000) 0.803 8.605 ( 0.000 -0.255 0.000) 0.255 8.605 ( 0.000 0.255 0.000) 0.255 8.645 ( 0.000 -0.714 0.000) 0.714 8.645 ( 0.000 0.714 0.000) 0.714 8.683 ( 0.000 -1.415 0.000) 1.415 8.683 ( 0.000 1.415 0.000) 1.415 8.699 ( 0.000 -1.357 0.000) 1.357 8.699 ( 0.000 1.357 0.000) 1.357 8.718 ( 0.000 -0.547 0.000) 0.547 8.718 ( 0.000 0.547 0.000) 0.547 8.747 ( 0.000 -0.203 0.000) 0.203 8.747 ( 0.000 0.203 0.000) 0.203 8.864 ( 0.000 -1.046 0.000) 1.046 8.864 ( 0.000 1.046 0.000) 1.046 8.910 ( 0.000 -1.588 0.000) 1.588 8.910 ( 0.000 1.588 0.000) 1.588 8.943 ( 0.000 -0.584 0.000) 0.584 8.943 ( 0.000 0.584 0.000) 0.584 9.008 ( 0.000 -0.622 0.000) 0.622 9.008 ( 0.000 0.622 0.000) 0.622 9.181 ( 0.000 -1.989 0.000) 1.989 9.181 ( 0.000 1.989 0.000) 1.989 9.461 ( 0.000 -1.448 0.000) 1.448 9.461 ( 0.000 1.448 0.000) 1.448 9.539 ( 0.000 -0.583 0.000) 0.583 9.539 ( 0.000 0.583 0.000) 0.583 9.754 ( 0.000 -2.339 0.000) 2.339 9.754 ( 0.000 2.339 0.000) 2.339 9.763 ( 0.000 -2.932 0.000) 2.932 9.763 ( 0.000 2.932 0.000) 2.932 9.870 ( 0.000 -2.095 0.000) 2.095 9.870 ( 0.000 2.095 0.000) 2.095 9.958 ( 0.000 -2.903 0.000) 2.903 9.958 ( 0.000 2.903 0.000) 2.903 10.071 ( 0.000 -0.897 0.000) 0.897 10.071 ( 0.000 0.897 0.000) 0.897 10.307 ( 0.000 -1.611 0.000) 1.611 10.307 ( 0.000 1.611 0.000) 1.611 10.333 ( 0.000 -1.728 0.000) 1.728 10.333 ( 0.000 1.728 0.000) 1.728 10.463 ( 0.000 -0.434 0.000) 0.434 10.463 ( 0.000 0.434 0.000) 0.434 10.503 ( 0.000 -0.860 0.000) 0.860 10.503 ( 0.000 0.860 0.000) 0.860 10.523 ( 0.000 -0.637 0.000) 0.637 10.523 ( 0.000 0.637 0.000) 0.637 10.649 ( 0.000 -1.452 0.000) 1.452 10.649 ( 0.000 1.452 0.000) 1.452 10.837 ( 0.000 -1.107 0.000) 1.107 10.837 ( 0.000 1.107 0.000) 1.107 10.901 ( 0.000 -2.883 0.000) 2.883 10.901 ( 0.000 2.883 0.000) 2.883 10.976 ( 0.000 -4.399 0.000) 4.399 10.976 ( 0.000 4.399 0.000) 4.399 10.992 ( 0.000 -4.831 0.000) 4.831 10.992 ( 0.000 4.831 0.000) 4.831 11.272 ( 0.000 -2.356 0.000) 2.356 11.272 ( 0.000 2.356 0.000) 2.356 11.348 ( 0.000 -2.197 0.000) 2.197 11.348 ( 0.000 2.197 0.000) 2.197 11.397 ( 0.000 -6.679 0.000) 6.679 11.397 ( 0.000 6.679 0.000) 6.679 11.776 ( 0.000 -1.797 0.000) 1.797 11.776 ( 0.000 1.797 0.000) 1.797 ======================= Grid point 12 (8/27) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 6.045 -20.099 0.000) 20.989 0.988 ( 6.045 20.099 0.000) 20.989 1.098 ( 12.516 -19.022 0.000) 22.770 1.098 ( 12.516 19.022 0.000) 22.770 1.530 ( -10.985 -4.367 0.000) 11.821 1.530 ( -10.985 4.367 0.000) 11.821 1.683 ( 5.838 -22.272 0.000) 23.025 1.683 ( 5.838 22.272 0.000) 23.025 1.868 ( 2.590 -5.228 0.000) 5.834 1.868 ( 2.590 5.228 0.000) 5.834 1.888 ( -1.055 -1.964 0.000) 2.229 1.888 ( -1.055 1.964 0.000) 2.229 1.976 ( 1.532 -5.103 0.000) 5.328 1.976 ( 1.532 5.103 0.000) 5.328 2.076 ( 2.494 -2.131 0.000) 3.281 2.076 ( 2.494 2.131 0.000) 3.281 2.085 ( -3.111 -4.074 0.000) 5.126 2.085 ( -3.111 4.074 0.000) 5.126 2.147 ( -1.424 -2.636 0.000) 2.996 2.147 ( -1.424 2.636 0.000) 2.996 2.159 ( -4.608 -2.830 0.000) 5.408 2.159 ( -4.608 2.830 0.000) 5.408 2.264 ( 3.128 -5.719 0.000) 6.519 2.264 ( 3.128 5.719 0.000) 6.519 2.327 ( 4.368 -3.233 0.000) 5.435 2.327 ( 4.368 3.233 0.000) 5.435 2.384 ( 0.565 -2.025 0.000) 2.103 2.384 ( 0.565 2.025 0.000) 2.103 2.444 ( 1.620 -0.485 0.000) 1.691 2.444 ( 1.620 0.485 0.000) 1.691 2.488 ( 1.728 -4.076 0.000) 4.427 2.488 ( 1.728 4.076 0.000) 4.427 2.489 ( 4.457 -4.300 0.000) 6.193 2.489 ( 4.457 4.300 0.000) 6.193 2.578 ( -0.851 -1.750 0.000) 1.945 2.578 ( -0.851 1.750 0.000) 1.945 2.639 ( 1.137 -5.588 0.000) 5.703 2.639 ( 1.137 5.588 0.000) 5.703 2.645 ( -1.380 -1.721 0.000) 2.206 2.645 ( -1.380 1.721 0.000) 2.206 2.742 ( 2.362 -3.191 0.000) 3.970 2.742 ( 2.362 3.191 0.000) 3.970 2.782 ( 0.603 -1.446 0.000) 1.567 2.782 ( 0.603 1.446 0.000) 1.567 2.853 ( 2.145 -1.350 0.000) 2.534 2.853 ( 2.145 1.350 0.000) 2.534 2.891 ( 0.319 -1.871 0.000) 1.898 2.891 ( 0.319 1.871 0.000) 1.898 2.901 ( 3.283 -1.950 0.000) 3.819 2.901 ( 3.283 1.950 0.000) 3.819 3.030 ( 1.583 -0.974 0.000) 1.859 3.030 ( 1.583 0.974 0.000) 1.859 3.064 ( -0.113 -0.846 0.000) 0.854 3.064 ( -0.113 0.846 0.000) 0.854 3.099 ( -1.398 -2.431 0.000) 2.804 3.099 ( -1.398 2.431 0.000) 2.804 3.115 ( -2.738 -4.149 0.000) 4.971 3.115 ( -2.738 4.149 0.000) 4.971 3.259 ( -4.943 -6.311 0.000) 8.017 3.259 ( -4.943 6.311 0.000) 8.017 3.277 ( 0.224 -3.997 0.000) 4.003 3.277 ( 0.224 3.997 0.000) 4.003 3.485 ( 3.963 -4.015 0.000) 5.642 3.485 ( 3.963 4.015 0.000) 5.642 3.514 ( -0.518 -4.055 0.000) 4.087 3.514 ( -0.518 4.055 0.000) 4.087 3.544 ( -4.764 -3.883 0.000) 6.146 3.544 ( -4.764 3.883 0.000) 6.146 3.566 ( -3.591 -2.943 0.000) 4.642 3.566 ( -3.591 2.943 0.000) 4.642 3.684 ( 1.135 -3.855 0.000) 4.019 3.684 ( 1.135 3.855 0.000) 4.019 3.819 ( 2.694 -1.914 0.000) 3.305 3.819 ( 2.694 1.914 0.000) 3.305 3.830 ( 0.468 -4.179 0.000) 4.205 3.830 ( 0.468 4.179 0.000) 4.205 3.898 ( -0.709 -6.053 0.000) 6.094 3.898 ( -0.709 6.053 0.000) 6.094 3.922 ( -2.114 -2.831 0.000) 3.533 3.922 ( -2.114 2.831 0.000) 3.533 3.974 ( 0.675 -4.165 0.000) 4.219 3.974 ( 0.675 4.165 0.000) 4.219 4.003 ( 3.144 -2.786 0.000) 4.200 4.003 ( 3.144 2.786 0.000) 4.200 4.158 ( -1.408 -1.273 0.000) 1.899 4.158 ( -1.408 1.273 0.000) 1.899 4.249 ( -4.556 -1.430 0.000) 4.775 4.249 ( -4.556 1.430 0.000) 4.775 4.267 ( -3.320 -0.201 0.000) 3.326 4.267 ( -3.320 0.201 0.000) 3.326 4.335 ( 5.742 -5.709 0.000) 8.098 4.335 ( 5.742 5.709 0.000) 8.098 4.454 ( -3.194 -0.940 0.000) 3.329 4.454 ( -3.194 0.940 0.000) 3.329 4.580 ( -5.262 -2.101 0.000) 5.666 4.580 ( -5.262 2.101 0.000) 5.666 4.605 ( -1.689 -4.772 0.000) 5.062 4.605 ( -1.689 4.772 0.000) 5.062 4.669 ( 0.102 -2.292 0.000) 2.294 4.669 ( 0.102 2.292 0.000) 2.294 4.671 ( -2.443 -4.584 0.000) 5.194 4.671 ( -2.443 4.584 0.000) 5.194 4.751 ( -0.364 -2.425 0.000) 2.452 4.751 ( -0.364 2.425 0.000) 2.452 4.873 ( -1.468 -1.908 0.000) 2.407 4.873 ( -1.468 1.908 0.000) 2.407 4.953 ( -0.157 -1.196 0.000) 1.206 4.953 ( -0.157 1.196 0.000) 1.206 5.066 ( 1.273 -2.033 0.000) 2.399 5.066 ( 1.273 2.033 0.000) 2.399 5.189 ( -1.910 -1.782 0.000) 2.613 5.189 ( -1.910 1.782 0.000) 2.613 5.299 ( -2.879 -2.917 0.000) 4.098 5.299 ( -2.879 2.917 0.000) 4.098 5.389 ( -6.493 -1.912 0.000) 6.769 5.389 ( -6.493 1.912 0.000) 6.769 5.440 ( 1.906 -1.251 0.000) 2.280 5.440 ( 1.906 1.251 0.000) 2.280 5.616 ( -3.622 -0.687 0.000) 3.686 5.616 ( -3.622 0.687 0.000) 3.686 5.619 ( 2.102 -1.083 0.000) 2.365 5.619 ( 2.102 1.083 0.000) 2.365 5.692 ( 0.902 -0.768 0.000) 1.185 5.692 ( 0.902 0.768 0.000) 1.185 5.781 ( 2.805 -2.229 0.000) 3.583 5.781 ( 2.805 2.229 0.000) 3.583 5.909 ( -0.418 -1.019 0.000) 1.101 5.909 ( -0.418 1.019 0.000) 1.101 5.983 ( 2.509 -3.897 0.000) 4.635 5.983 ( 2.509 3.897 0.000) 4.635 6.073 ( -2.153 -2.115 0.000) 3.018 6.073 ( -2.153 2.115 0.000) 3.018 6.101 ( -4.112 -2.250 0.000) 4.687 6.101 ( -4.112 2.250 0.000) 4.687 6.317 ( -6.796 -3.617 0.000) 7.698 6.317 ( -6.796 3.617 0.000) 7.698 6.503 ( 2.761 -1.921 0.000) 3.363 6.503 ( 2.761 1.921 0.000) 3.363 6.554 ( 4.084 -3.344 0.000) 5.279 6.554 ( 4.084 3.344 0.000) 5.279 6.662 ( 1.621 -0.806 0.000) 1.810 6.662 ( 1.621 0.806 0.000) 1.810 6.675 ( 2.718 -3.632 0.000) 4.536 6.675 ( 2.718 3.632 0.000) 4.536 7.385 ( 2.408 -2.571 0.000) 3.522 7.385 ( 2.408 2.571 0.000) 3.522 7.392 ( 2.973 -2.473 0.000) 3.866 7.392 ( 2.973 2.473 0.000) 3.866 7.431 ( 2.832 -1.092 0.000) 3.035 7.431 ( 2.832 1.092 0.000) 3.035 7.496 ( 1.187 -0.478 0.000) 1.280 7.496 ( 1.187 0.478 0.000) 1.280 8.605 ( 0.060 -0.294 0.000) 0.300 8.605 ( 0.060 0.294 0.000) 0.300 8.636 ( -0.846 -0.351 0.000) 0.916 8.636 ( -0.846 0.351 0.000) 0.916 8.679 ( -0.267 -0.959 0.000) 0.996 8.679 ( -0.267 0.959 0.000) 0.996 8.700 ( -0.608 -0.748 0.000) 0.964 8.700 ( -0.608 0.748 0.000) 0.964 8.734 ( 1.460 -0.536 0.000) 1.556 8.734 ( 1.460 0.536 0.000) 1.556 8.767 ( 1.706 -0.921 0.000) 1.939 8.767 ( 1.706 0.921 0.000) 1.939 8.871 ( 0.826 -0.793 0.000) 1.145 8.871 ( 0.826 0.793 0.000) 1.145 8.920 ( -0.171 -0.431 0.000) 0.463 8.920 ( -0.171 0.431 0.000) 0.463 8.984 ( 4.522 -1.306 0.000) 4.707 8.984 ( 4.522 1.306 0.000) 4.707 9.019 ( 1.042 -0.417 0.000) 1.123 9.019 ( 1.042 0.417 0.000) 1.123 9.215 ( 4.157 -3.048 0.000) 5.154 9.215 ( 4.157 3.048 0.000) 5.154 9.448 ( -1.389 -1.777 0.000) 2.255 9.448 ( -1.389 1.777 0.000) 2.255 9.561 ( 2.424 -0.606 0.000) 2.499 9.561 ( 2.424 0.606 0.000) 2.499 9.749 ( -0.804 -2.616 0.000) 2.737 9.749 ( -0.804 2.616 0.000) 2.737 9.759 ( -0.142 -2.062 0.000) 2.066 9.759 ( -0.142 2.062 0.000) 2.066 9.839 ( -2.918 -1.955 0.000) 3.513 9.839 ( -2.918 1.955 0.000) 3.513 9.962 ( 0.488 -3.346 0.000) 3.382 9.962 ( 0.488 3.346 0.000) 3.382 10.067 ( -0.752 -2.892 0.000) 2.988 10.067 ( -0.752 2.892 0.000) 2.988 10.310 ( 0.157 -1.741 0.000) 1.748 10.310 ( 0.157 1.741 0.000) 1.748 10.330 ( -0.342 -1.263 0.000) 1.308 10.330 ( -0.342 1.263 0.000) 1.308 10.461 ( -2.945 -2.272 0.000) 3.720 10.461 ( -2.945 2.272 0.000) 3.720 10.466 ( -0.326 -1.162 0.000) 1.207 10.466 ( -0.326 1.162 0.000) 1.207 10.537 ( 2.008 -3.556 0.000) 4.084 10.537 ( 2.008 3.556 0.000) 4.084 10.662 ( 0.135 -3.784 0.000) 3.787 10.662 ( 0.135 3.784 0.000) 3.787 10.855 ( 1.746 -4.310 0.000) 4.650 10.855 ( 1.746 4.310 0.000) 4.650 10.919 ( 1.959 -3.130 0.000) 3.693 10.919 ( 1.959 3.130 0.000) 3.693 10.955 ( -1.721 -3.625 0.000) 4.013 10.955 ( -1.721 3.625 0.000) 4.013 11.000 ( 0.249 -4.386 0.000) 4.393 11.000 ( 0.249 4.386 0.000) 4.393 11.297 ( 2.375 -3.509 0.000) 4.237 11.297 ( 2.375 3.509 0.000) 4.237 11.361 ( 1.756 -2.763 0.000) 3.274 11.361 ( 1.756 2.763 0.000) 3.274 11.387 ( -1.048 -6.022 0.000) 6.113 11.387 ( -1.048 6.022 0.000) 6.113 11.705 ( -7.001 -1.282 0.000) 7.118 11.705 ( -7.001 1.282 0.000) 7.118 ======================= Grid point 14 (9/27) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 9.168 -15.861 0.000) 18.320 1.126 ( 9.168 15.861 0.000) 18.320 1.308 ( -8.368 -9.984 0.000) 13.027 1.308 ( -8.368 9.984 0.000) 13.027 1.388 ( 13.744 -10.612 0.000) 17.364 1.388 ( 13.744 10.612 0.000) 17.364 1.651 ( -10.659 -5.728 0.000) 12.100 1.651 ( -10.659 5.728 0.000) 12.100 1.883 ( 0.155 -0.884 0.000) 0.897 1.883 ( 0.155 0.884 0.000) 0.897 1.895 ( -1.280 -3.107 0.000) 3.360 1.895 ( -1.280 3.107 0.000) 3.360 2.020 ( 2.941 -5.498 0.000) 6.235 2.020 ( 2.941 5.498 0.000) 6.235 2.063 ( -2.394 -5.437 0.000) 5.941 2.063 ( -2.394 5.437 0.000) 5.941 2.066 ( 2.541 -4.987 0.000) 5.597 2.066 ( 2.541 4.987 0.000) 5.597 2.114 ( -2.156 -3.162 0.000) 3.827 2.114 ( -2.156 3.162 0.000) 3.827 2.171 ( 6.215 -3.142 0.000) 6.964 2.171 ( 6.215 3.142 0.000) 6.964 2.278 ( -3.091 -2.736 0.000) 4.128 2.278 ( -3.091 2.736 0.000) 4.128 2.400 ( 3.195 -1.501 0.000) 3.530 2.400 ( 3.195 1.501 0.000) 3.530 2.419 ( 1.774 -0.767 0.000) 1.933 2.419 ( 1.774 0.767 0.000) 1.933 2.499 ( 0.044 -4.918 0.000) 4.918 2.499 ( 0.044 4.918 0.000) 4.918 2.501 ( 2.478 -1.726 0.000) 3.020 2.501 ( 2.478 1.726 0.000) 3.020 2.575 ( -0.035 -1.459 0.000) 1.460 2.575 ( -0.035 1.459 0.000) 1.460 2.580 ( -0.918 -2.422 0.000) 2.590 2.580 ( -0.918 2.422 0.000) 2.590 2.602 ( 4.661 -1.638 0.000) 4.940 2.602 ( 4.661 1.638 0.000) 4.940 2.650 ( 0.347 -3.375 0.000) 3.393 2.650 ( 0.347 3.375 0.000) 3.393 2.770 ( 1.036 -4.410 0.000) 4.530 2.770 ( 1.036 4.410 0.000) 4.530 2.807 ( 0.437 -1.626 0.000) 1.684 2.807 ( 0.437 1.626 0.000) 1.684 2.883 ( 0.103 -1.142 0.000) 1.146 2.883 ( 0.103 1.142 0.000) 1.146 2.885 ( -1.578 -3.143 0.000) 3.517 2.885 ( -1.578 3.143 0.000) 3.517 2.984 ( 4.843 -4.307 0.000) 6.482 2.984 ( 4.843 4.307 0.000) 6.482 3.049 ( -1.910 -1.723 0.000) 2.572 3.049 ( -1.910 1.723 0.000) 2.572 3.061 ( -1.693 -1.942 0.000) 2.577 3.061 ( -1.693 1.942 0.000) 2.577 3.063 ( 1.920 -2.607 0.000) 3.238 3.063 ( 1.920 2.607 0.000) 3.238 3.075 ( -0.862 -5.129 0.000) 5.201 3.075 ( -0.862 5.129 0.000) 5.201 3.146 ( -6.260 -4.714 0.000) 7.837 3.146 ( -6.260 4.714 0.000) 7.837 3.301 ( 2.669 -4.576 0.000) 5.298 3.301 ( 2.669 4.576 0.000) 5.298 3.372 ( -6.266 -4.200 0.000) 7.543 3.372 ( -6.266 4.200 0.000) 7.543 3.493 ( -0.821 -5.557 0.000) 5.617 3.493 ( -0.821 5.557 0.000) 5.617 3.524 ( -2.523 -3.439 0.000) 4.265 3.524 ( -2.523 3.439 0.000) 4.265 3.614 ( 7.581 -7.373 0.000) 10.575 3.614 ( 7.581 7.373 0.000) 10.575 3.728 ( -2.451 -3.522 0.000) 4.291 3.728 ( -2.451 3.522 0.000) 4.291 3.860 ( 0.519 -1.618 0.000) 1.700 3.860 ( 0.519 1.618 0.000) 1.700 3.863 ( 0.275 -3.692 0.000) 3.702 3.863 ( 0.275 3.692 0.000) 3.702 3.924 ( 6.778 -1.891 0.000) 7.037 3.924 ( 6.778 1.891 0.000) 7.037 3.925 ( 3.612 -1.264 0.000) 3.827 3.925 ( 3.612 1.264 0.000) 3.827 3.985 ( 0.998 -1.432 0.000) 1.746 3.985 ( 0.998 1.432 0.000) 1.746 4.051 ( 0.395 -4.899 0.000) 4.915 4.051 ( 0.395 4.899 0.000) 4.915 4.114 ( -1.886 -2.796 0.000) 3.373 4.114 ( -1.886 2.796 0.000) 3.373 4.139 ( -6.060 -2.851 0.000) 6.697 4.139 ( -6.060 2.851 0.000) 6.697 4.218 ( -0.402 -2.369 0.000) 2.403 4.218 ( -0.402 2.369 0.000) 2.403 4.317 ( -10.347 -2.065 0.000) 10.551 4.317 ( -10.347 2.065 0.000) 10.551 4.435 ( 4.509 -3.400 0.000) 5.647 4.435 ( 4.509 3.400 0.000) 5.647 4.500 ( -3.296 -2.912 0.000) 4.398 4.500 ( -3.296 2.912 0.000) 4.398 4.581 ( 0.038 -3.110 0.000) 3.111 4.581 ( 0.038 3.110 0.000) 3.111 4.615 ( -3.162 -2.934 0.000) 4.313 4.615 ( -3.162 2.934 0.000) 4.313 4.694 ( 2.178 -1.888 0.000) 2.882 4.694 ( 2.178 1.888 0.000) 2.882 4.731 ( -1.699 -2.801 0.000) 3.276 4.731 ( -1.699 2.801 0.000) 3.276 4.879 ( 1.748 -0.533 0.000) 1.828 4.879 ( 1.748 0.533 0.000) 1.828 4.923 ( -2.739 -0.886 0.000) 2.879 4.923 ( -2.739 0.886 0.000) 2.879 5.112 ( 3.807 -2.400 0.000) 4.500 5.112 ( 3.807 2.400 0.000) 4.500 5.174 ( -1.405 -1.716 0.000) 2.218 5.174 ( -1.405 1.716 0.000) 2.218 5.248 ( -0.879 -2.470 0.000) 2.622 5.248 ( -0.879 2.470 0.000) 2.622 5.291 ( -4.266 -2.385 0.000) 4.888 5.291 ( -4.266 2.385 0.000) 4.888 5.481 ( 2.749 -1.773 0.000) 3.271 5.481 ( 2.749 1.773 0.000) 3.271 5.542 ( -4.019 -1.294 0.000) 4.222 5.542 ( -4.019 1.294 0.000) 4.222 5.663 ( 2.503 -0.755 0.000) 2.615 5.663 ( 2.503 0.755 0.000) 2.615 5.697 ( -0.954 -0.318 0.000) 1.005 5.697 ( -0.954 0.318 0.000) 1.005 5.851 ( 4.650 -1.282 0.000) 4.824 5.851 ( 4.650 1.282 0.000) 4.824 5.901 ( -0.730 -0.558 0.000) 0.919 5.901 ( -0.730 0.558 0.000) 0.919 5.988 ( -1.361 -0.133 0.000) 1.368 5.988 ( -1.361 0.133 0.000) 1.368 6.015 ( -3.866 -1.796 0.000) 4.263 6.015 ( -3.866 1.796 0.000) 4.263 6.093 ( 3.566 -1.987 0.000) 4.082 6.093 ( 3.566 1.987 0.000) 4.082 6.187 ( -6.643 -0.533 0.000) 6.665 6.187 ( -6.643 0.533 0.000) 6.665 6.565 ( 3.422 -2.706 0.000) 4.362 6.565 ( 3.422 2.706 0.000) 4.362 6.599 ( 0.293 -3.258 0.000) 3.271 6.599 ( 0.293 3.258 0.000) 3.271 6.687 ( 0.974 -0.900 0.000) 1.326 6.687 ( 0.974 0.900 0.000) 1.326 6.697 ( -0.052 -2.407 0.000) 2.408 6.697 ( -0.052 2.407 0.000) 2.408 7.428 ( 1.774 -1.196 0.000) 2.140 7.428 ( 1.774 1.196 0.000) 2.140 7.434 ( 1.189 -2.730 0.000) 2.978 7.434 ( 1.189 2.730 0.000) 2.978 7.481 ( 2.322 -0.018 0.000) 2.322 7.481 ( 2.322 0.018 0.000) 2.322 7.506 ( -0.380 -1.453 0.000) 1.501 7.506 ( -0.380 1.453 0.000) 1.501 8.608 ( 0.385 -0.292 0.000) 0.483 8.608 ( 0.385 0.292 0.000) 0.483 8.620 ( -0.845 -0.096 0.000) 0.850 8.620 ( -0.845 0.096 0.000) 0.850 8.677 ( 0.142 -0.482 0.000) 0.502 8.677 ( 0.142 0.482 0.000) 0.502 8.685 ( -0.754 -0.349 0.000) 0.831 8.685 ( -0.754 0.349 0.000) 0.831 8.763 ( 1.516 -0.654 0.000) 1.652 8.763 ( 1.516 0.654 0.000) 1.652 8.781 ( -0.271 -0.818 0.000) 0.862 8.781 ( -0.271 0.818 0.000) 0.862 8.891 ( 1.187 -0.317 0.000) 1.229 8.891 ( 1.187 0.317 0.000) 1.229 8.909 ( -0.832 -0.141 0.000) 0.844 8.909 ( -0.832 0.141 0.000) 0.844 9.038 ( 0.894 -0.085 0.000) 0.898 9.038 ( 0.894 0.085 0.000) 0.898 9.040 ( 1.125 -0.311 0.000) 1.167 9.040 ( 1.125 0.311 0.000) 1.167 9.322 ( 6.356 -5.147 0.000) 8.179 9.322 ( 6.356 5.147 0.000) 8.179 9.408 ( -3.235 -3.102 0.000) 4.482 9.408 ( -3.235 3.102 0.000) 4.482 9.624 ( 4.396 -0.691 0.000) 4.450 9.624 ( 4.396 0.691 0.000) 4.450 9.707 ( -4.081 -2.283 0.000) 4.677 9.707 ( -4.081 2.283 0.000) 4.677 9.767 ( 1.098 -0.663 0.000) 1.282 9.767 ( 1.098 0.663 0.000) 1.282 9.793 ( -1.779 -1.247 0.000) 2.172 9.793 ( -1.779 1.247 0.000) 2.172 9.983 ( 2.115 -4.064 0.000) 4.581 9.983 ( 2.115 4.064 0.000) 4.581 10.033 ( -2.874 -3.646 0.000) 4.642 10.033 ( -2.874 3.646 0.000) 4.642 10.312 ( 0.248 -1.503 0.000) 1.523 10.312 ( 0.248 1.503 0.000) 1.523 10.321 ( -0.617 -0.731 0.000) 0.957 10.321 ( -0.617 0.731 0.000) 0.957 10.434 ( 0.008 -2.045 0.000) 2.045 10.434 ( 0.008 2.045 0.000) 2.045 10.449 ( -1.234 -1.996 0.000) 2.347 10.449 ( -1.234 1.996 0.000) 2.347 10.589 ( 3.243 -4.696 0.000) 5.707 10.589 ( 3.243 4.696 0.000) 5.707 10.641 ( -2.266 -4.944 0.000) 5.439 10.641 ( -2.266 4.944 0.000) 5.439 10.888 ( 1.805 -5.184 0.000) 5.489 10.888 ( 1.805 5.184 0.000) 5.489 10.921 ( -1.901 -4.264 0.000) 4.669 10.921 ( -1.901 4.264 0.000) 4.669 10.962 ( 2.383 -3.923 0.000) 4.590 10.962 ( 2.383 3.923 0.000) 4.590 10.994 ( -1.015 -4.316 0.000) 4.434 10.994 ( -1.015 4.316 0.000) 4.434 11.336 ( 1.676 -3.652 0.000) 4.018 11.336 ( 1.676 3.652 0.000) 4.018 11.363 ( -1.460 -4.592 0.000) 4.819 11.363 ( -1.460 4.592 0.000) 4.819 11.430 ( 5.971 -3.018 0.000) 6.691 11.430 ( 5.971 3.018 0.000) 6.691 11.561 ( -8.160 -3.401 0.000) 8.841 11.561 ( -8.160 3.401 0.000) 8.841 ======================= Grid point 25 (10/27) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 0.000 0.000 23.510) 23.510 0.592 ( 0.000 0.000 27.531) 27.531 1.006 ( 0.000 0.000 46.254) 46.254 1.421 ( 0.000 0.000 -16.961) 16.961 1.550 ( 0.000 0.000 -13.345) 13.345 1.644 ( 0.000 0.000 4.405) 4.405 1.722 ( 0.000 0.000 1.499) 1.499 1.728 ( 0.000 0.000 7.623) 7.623 1.815 ( 0.000 0.000 -0.209) 0.209 1.820 ( 0.000 0.000 3.326) 3.326 1.888 ( 0.000 0.000 0.288) 0.288 1.913 ( 0.000 0.000 -0.569) 0.569 1.962 ( 0.000 0.000 -0.181) 0.181 2.010 ( 0.000 0.000 -0.534) 0.534 2.013 ( 0.000 0.000 2.696) 2.696 2.063 ( 0.000 0.000 5.667) 5.667 2.092 ( 0.000 0.000 -2.549) 2.549 2.124 ( 0.000 0.000 0.787) 0.787 2.188 ( 0.000 0.000 -0.574) 0.574 2.188 ( 0.000 0.000 1.927) 1.927 2.228 ( 0.000 0.000 -2.078) 2.078 2.257 ( 0.000 0.000 -3.821) 3.821 2.262 ( 0.000 0.000 -5.514) 5.514 2.337 ( 0.000 0.000 5.481) 5.481 2.351 ( 0.000 0.000 -1.307) 1.307 2.367 ( 0.000 0.000 -0.106) 0.106 2.371 ( 0.000 0.000 -3.533) 3.533 2.376 ( 0.000 0.000 0.084) 0.084 2.384 ( 0.000 0.000 4.074) 4.074 2.448 ( 0.000 0.000 3.206) 3.206 2.462 ( 0.000 0.000 3.773) 3.773 2.552 ( 0.000 0.000 4.274) 4.274 2.573 ( 0.000 0.000 2.940) 2.940 2.606 ( 0.000 0.000 -1.657) 1.657 2.643 ( 0.000 0.000 -0.781) 0.781 2.654 ( 0.000 0.000 -3.333) 3.333 2.673 ( 0.000 0.000 -3.988) 3.988 2.673 ( 0.000 0.000 1.536) 1.536 2.708 ( 0.000 0.000 -1.861) 1.861 2.726 ( 0.000 0.000 -2.779) 2.779 2.743 ( 0.000 0.000 -15.290) 15.290 2.777 ( 0.000 0.000 4.438) 4.438 2.788 ( 0.000 0.000 -0.041) 0.041 2.794 ( 0.000 0.000 5.122) 5.122 2.811 ( 0.000 0.000 -10.786) 10.786 2.828 ( 0.000 0.000 -1.173) 1.173 2.859 ( 0.000 0.000 -1.058) 1.058 2.862 ( 0.000 0.000 -0.146) 0.146 2.887 ( 0.000 0.000 1.874) 1.874 2.922 ( 0.000 0.000 0.609) 0.609 2.959 ( 0.000 0.000 7.010) 7.010 2.974 ( 0.000 0.000 -1.145) 1.145 3.014 ( 0.000 0.000 -3.618) 3.618 3.040 ( 0.000 0.000 -5.962) 5.962 3.044 ( 0.000 0.000 3.346) 3.346 3.059 ( 0.000 0.000 1.398) 1.398 3.116 ( 0.000 0.000 -1.616) 1.616 3.117 ( 0.000 0.000 -0.491) 0.491 3.122 ( 0.000 0.000 -0.340) 0.340 3.130 ( 0.000 0.000 0.392) 0.392 3.238 ( 0.000 0.000 -5.501) 5.501 3.298 ( 0.000 0.000 5.198) 5.198 3.300 ( 0.000 0.000 2.179) 2.179 3.387 ( 0.000 0.000 0.977) 0.977 3.415 ( 0.000 0.000 -8.856) 8.856 3.433 ( 0.000 0.000 -5.475) 5.475 3.495 ( 0.000 0.000 -3.297) 3.297 3.547 ( 0.000 0.000 -6.292) 6.292 3.596 ( 0.000 0.000 -1.828) 1.828 3.657 ( 0.000 0.000 -1.661) 1.661 3.704 ( 0.000 0.000 2.133) 2.133 3.711 ( 0.000 0.000 0.973) 0.973 3.738 ( 0.000 0.000 4.189) 4.189 3.750 ( 0.000 0.000 4.377) 4.377 3.784 ( 0.000 0.000 2.165) 2.165 3.824 ( 0.000 0.000 0.750) 0.750 3.868 ( 0.000 0.000 0.241) 0.241 3.876 ( 0.000 0.000 -0.213) 0.213 3.885 ( 0.000 0.000 -0.958) 0.958 3.911 ( 0.000 0.000 1.473) 1.473 3.975 ( 0.000 0.000 -3.481) 3.481 4.010 ( 0.000 0.000 -1.390) 1.390 4.045 ( 0.000 0.000 5.759) 5.759 4.083 ( 0.000 0.000 2.533) 2.533 4.126 ( 0.000 0.000 2.701) 2.701 4.153 ( 0.000 0.000 4.478) 4.478 4.231 ( 0.000 0.000 0.808) 0.808 4.275 ( 0.000 0.000 1.541) 1.541 4.321 ( 0.000 0.000 3.249) 3.249 4.371 ( 0.000 0.000 7.673) 7.673 4.413 ( 0.000 0.000 3.626) 3.626 4.419 ( 0.000 0.000 -0.077) 0.077 4.445 ( 0.000 0.000 -1.266) 1.266 4.451 ( 0.000 0.000 -3.473) 3.473 4.542 ( 0.000 0.000 -2.501) 2.501 4.556 ( 0.000 0.000 3.359) 3.359 4.559 ( 0.000 0.000 0.625) 0.625 4.565 ( 0.000 0.000 0.461) 0.461 4.664 ( 0.000 0.000 -6.818) 6.818 4.676 ( 0.000 0.000 -3.748) 3.748 4.677 ( 0.000 0.000 -1.774) 1.774 4.705 ( 0.000 0.000 -0.186) 0.186 4.724 ( 0.000 0.000 -2.068) 2.068 4.779 ( 0.000 0.000 3.717) 3.717 4.854 ( 0.000 0.000 1.234) 1.234 4.942 ( 0.000 0.000 -6.824) 6.824 4.945 ( 0.000 0.000 -6.698) 6.698 4.945 ( 0.000 0.000 -0.554) 0.554 5.058 ( 0.000 0.000 0.786) 0.786 5.076 ( 0.000 0.000 1.572) 1.572 5.114 ( 0.000 0.000 -0.042) 0.042 5.114 ( 0.000 0.000 1.819) 1.819 5.232 ( 0.000 0.000 1.519) 1.519 5.355 ( 0.000 0.000 2.764) 2.764 5.417 ( 0.000 0.000 -1.285) 1.285 5.429 ( 0.000 0.000 -8.172) 8.172 5.497 ( 0.000 0.000 -2.515) 2.515 5.532 ( 0.000 0.000 -0.760) 0.760 5.555 ( 0.000 0.000 2.575) 2.575 5.610 ( 0.000 0.000 -5.232) 5.232 5.640 ( 0.000 0.000 1.142) 1.142 5.718 ( 0.000 0.000 1.731) 1.731 5.741 ( 0.000 0.000 0.274) 0.274 5.750 ( 0.000 0.000 2.875) 2.875 5.796 ( 0.000 0.000 -1.107) 1.107 5.809 ( 0.000 0.000 2.875) 2.875 5.907 ( 0.000 0.000 0.838) 0.838 5.955 ( 0.000 0.000 5.322) 5.322 5.973 ( 0.000 0.000 1.152) 1.152 6.047 ( 0.000 0.000 -0.971) 0.971 6.055 ( 0.000 0.000 -2.015) 2.015 6.126 ( 0.000 0.000 -0.841) 0.841 6.173 ( 0.000 0.000 1.092) 1.092 6.222 ( 0.000 0.000 -0.813) 0.813 6.342 ( 0.000 0.000 2.612) 2.612 6.458 ( 0.000 0.000 1.610) 1.610 6.479 ( 0.000 0.000 -3.021) 3.021 6.481 ( 0.000 0.000 1.597) 1.597 6.554 ( 0.000 0.000 -2.240) 2.240 6.577 ( 0.000 0.000 -2.003) 2.003 6.580 ( 0.000 0.000 1.508) 1.508 6.623 ( 0.000 0.000 0.116) 0.116 6.702 ( 0.000 0.000 2.268) 2.268 6.770 ( 0.000 0.000 -0.838) 0.838 7.292 ( 0.000 0.000 0.529) 0.529 7.331 ( 0.000 0.000 -1.399) 1.399 7.384 ( 0.000 0.000 0.426) 0.426 7.409 ( 0.000 0.000 -0.531) 0.531 7.416 ( 0.000 0.000 2.116) 2.116 7.449 ( 0.000 0.000 0.243) 0.243 7.456 ( 0.000 0.000 -0.033) 0.033 7.484 ( 0.000 0.000 -0.842) 0.842 8.629 ( 0.000 0.000 2.193) 2.193 8.641 ( 0.000 0.000 2.352) 2.352 8.658 ( 0.000 0.000 -0.488) 0.488 8.682 ( 0.000 0.000 0.555) 0.555 8.696 ( 0.000 0.000 0.542) 0.542 8.713 ( 0.000 0.000 -0.039) 0.039 8.715 ( 0.000 0.000 -1.204) 1.204 8.729 ( 0.000 0.000 1.578) 1.578 8.734 ( 0.000 0.000 -0.676) 0.676 8.752 ( 0.000 0.000 -1.652) 1.652 8.755 ( 0.000 0.000 5.452) 5.452 8.764 ( 0.000 0.000 -2.518) 2.518 8.805 ( 0.000 0.000 0.074) 0.074 8.897 ( 0.000 0.000 1.599) 1.599 8.927 ( 0.000 0.000 0.173) 0.173 8.930 ( 0.000 0.000 0.118) 0.118 8.967 ( 0.000 0.000 3.223) 3.223 8.993 ( 0.000 0.000 5.133) 5.133 9.000 ( 0.000 0.000 2.034) 2.034 9.094 ( 0.000 0.000 -3.705) 3.705 9.170 ( 0.000 0.000 -0.597) 0.597 9.239 ( 0.000 0.000 -2.122) 2.122 9.404 ( 0.000 0.000 -10.597) 10.597 9.439 ( 0.000 0.000 -11.001) 11.001 9.491 ( 0.000 0.000 5.064) 5.064 9.686 ( 0.000 0.000 5.143) 5.143 9.742 ( 0.000 0.000 3.464) 3.464 9.743 ( 0.000 0.000 -4.518) 4.518 9.847 ( 0.000 0.000 3.451) 3.451 9.861 ( 0.000 0.000 3.195) 3.195 9.879 ( 0.000 0.000 -2.369) 2.369 9.889 ( 0.000 0.000 -1.547) 1.547 10.039 ( 0.000 0.000 -2.783) 2.783 10.076 ( 0.000 0.000 -4.193) 4.193 10.084 ( 0.000 0.000 0.307) 0.307 10.097 ( 0.000 0.000 -1.307) 1.307 10.297 ( 0.000 0.000 2.545) 2.545 10.329 ( 0.000 0.000 -0.401) 0.401 10.344 ( 0.000 0.000 -0.434) 0.434 10.401 ( 0.000 0.000 -1.839) 1.839 10.416 ( 0.000 0.000 2.636) 2.636 10.420 ( 0.000 0.000 0.295) 0.295 10.434 ( 0.000 0.000 3.300) 3.300 10.456 ( 0.000 0.000 -0.007) 0.007 10.459 ( 0.000 0.000 -1.395) 1.395 10.566 ( 0.000 0.000 -1.651) 1.651 10.571 ( 0.000 0.000 3.193) 3.193 10.645 ( 0.000 0.000 0.486) 0.486 10.777 ( 0.000 0.000 -0.221) 0.221 10.799 ( 0.000 0.000 -1.674) 1.674 10.911 ( 0.000 0.000 0.042) 0.042 10.921 ( 0.000 0.000 -0.212) 0.212 10.964 ( 0.000 0.000 1.743) 1.743 11.040 ( 0.000 0.000 1.715) 1.715 11.061 ( 0.000 0.000 1.864) 1.864 11.064 ( 0.000 0.000 -2.087) 2.087 11.188 ( 0.000 0.000 -0.145) 0.145 11.199 ( 0.000 0.000 -1.204) 1.204 11.227 ( 0.000 0.000 0.510) 0.510 11.255 ( 0.000 0.000 -0.674) 0.674 11.327 ( 0.000 0.000 1.221) 1.221 11.384 ( 0.000 0.000 -1.131) 1.131 11.618 ( 0.000 0.000 0.263) 0.263 11.674 ( 0.000 0.000 -1.751) 1.751 ======================= Grid point 26 (11/27) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 15.202 0.000 17.786) 23.398 0.736 ( 15.743 0.000 20.158) 25.577 1.246 ( 20.896 0.000 33.768) 39.710 1.478 ( 5.822 0.000 -15.309) 16.379 1.608 ( 0.444 0.000 -13.400) 13.407 1.618 ( -0.911 0.000 4.105) 4.205 1.622 ( -7.593 0.000 2.577) 8.019 1.753 ( 1.899 0.000 2.806) 3.388 1.792 ( -0.158 0.000 6.191) 6.193 1.813 ( -2.057 0.000 0.838) 2.221 1.873 ( -4.741 0.000 0.693) 4.791 1.883 ( -7.616 0.000 1.239) 7.716 1.893 ( 2.560 0.000 2.842) 3.825 1.969 ( -2.517 0.000 1.519) 2.940 2.006 ( -1.019 0.000 -4.707) 4.816 2.033 ( -2.194 0.000 1.501) 2.658 2.096 ( -1.098 0.000 2.122) 2.389 2.145 ( 3.839 0.000 -4.809) 6.153 2.183 ( -0.750 0.000 1.226) 1.437 2.232 ( 3.385 0.000 -2.390) 4.144 2.257 ( 2.583 0.000 -3.000) 3.959 2.294 ( 2.114 0.000 -2.235) 3.076 2.303 ( 0.195 0.000 1.864) 1.874 2.319 ( 1.126 0.000 1.976) 2.274 2.359 ( -1.709 0.000 1.860) 2.526 2.372 ( 0.687 0.000 -2.708) 2.794 2.379 ( 1.332 0.000 0.935) 1.627 2.432 ( 2.674 0.000 0.515) 2.723 2.442 ( 6.062 0.000 0.759) 6.109 2.465 ( 2.864 0.000 4.996) 5.759 2.505 ( 3.293 0.000 -0.367) 3.313 2.523 ( -5.165 0.000 -0.898) 5.242 2.535 ( -2.211 0.000 0.897) 2.386 2.581 ( 4.228 0.000 6.163) 7.474 2.616 ( -2.092 0.000 1.839) 2.785 2.628 ( -2.044 0.000 3.448) 4.008 2.674 ( 0.300 0.000 -2.691) 2.708 2.684 ( -1.691 0.000 3.449) 3.841 2.722 ( 3.045 0.000 -1.262) 3.296 2.729 ( 1.894 0.000 -2.972) 3.524 2.770 ( 0.771 0.000 -4.176) 4.246 2.795 ( 0.387 0.000 -6.605) 6.617 2.797 ( -2.115 0.000 -2.142) 3.010 2.801 ( -0.327 0.000 2.322) 2.345 2.820 ( 0.705 0.000 0.531) 0.882 2.837 ( 2.691 0.000 -1.655) 3.159 2.850 ( 2.238 0.000 -11.954) 12.162 2.916 ( -3.283 0.000 4.832) 5.841 2.923 ( 6.294 0.000 1.568) 6.486 2.928 ( 3.210 0.000 3.042) 4.422 2.975 ( -1.363 0.000 -4.159) 4.377 2.984 ( 3.315 0.000 -0.510) 3.354 2.998 ( -3.632 0.000 -2.802) 4.587 3.018 ( 1.061 0.000 0.245) 1.089 3.043 ( -6.010 0.000 0.064) 6.010 3.045 ( 2.772 0.000 2.124) 3.492 3.078 ( 3.005 0.000 -5.857) 6.582 3.128 ( -0.326 0.000 -1.226) 1.269 3.139 ( -0.941 0.000 2.698) 2.858 3.167 ( 1.606 0.000 4.180) 4.478 3.180 ( -2.150 0.000 4.129) 4.655 3.248 ( 1.257 0.000 -4.615) 4.783 3.397 ( -1.887 0.000 1.463) 2.388 3.419 ( -4.633 0.000 -4.163) 6.229 3.437 ( 3.608 0.000 -8.564) 9.293 3.453 ( 7.507 0.000 1.062) 7.582 3.493 ( 3.555 0.000 -6.080) 7.043 3.556 ( -2.315 0.000 -3.254) 3.994 3.564 ( -0.270 0.000 -6.919) 6.924 3.633 ( -5.063 0.000 0.797) 5.125 3.641 ( -1.669 0.000 -0.602) 1.774 3.720 ( -0.075 0.000 3.467) 3.468 3.738 ( 0.062 0.000 0.533) 0.536 3.780 ( -2.108 0.000 2.379) 3.178 3.784 ( 3.966 0.000 0.850) 4.056 3.800 ( -1.587 0.000 3.484) 3.829 3.840 ( 3.082 0.000 1.655) 3.498 3.870 ( 0.396 0.000 -2.159) 2.195 3.904 ( 3.077 0.000 -0.076) 3.078 3.962 ( -0.793 0.000 3.266) 3.361 3.982 ( 1.440 0.000 -2.838) 3.183 4.006 ( -0.227 0.000 1.232) 1.253 4.055 ( 2.239 0.000 1.889) 2.930 4.127 ( 1.034 0.000 1.326) 1.681 4.149 ( -1.313 0.000 1.662) 2.119 4.163 ( 3.551 0.000 2.098) 4.125 4.211 ( -2.234 0.000 2.127) 3.084 4.298 ( -2.079 0.000 7.646) 7.923 4.299 ( -7.415 0.000 3.917) 8.386 4.307 ( 2.821 0.000 -0.299) 2.837 4.342 ( -2.667 0.000 6.086) 6.645 4.393 ( -1.470 0.000 -4.545) 4.776 4.444 ( -3.260 0.000 -1.369) 3.535 4.460 ( -2.797 0.000 2.368) 3.665 4.491 ( -5.621 0.000 -0.051) 5.621 4.532 ( -2.337 0.000 2.324) 3.296 4.556 ( 0.886 0.000 -1.634) 1.859 4.585 ( 1.562 0.000 -0.789) 1.750 4.610 ( -4.819 0.000 -2.183) 5.290 4.637 ( -0.675 0.000 -2.239) 2.339 4.661 ( -1.873 0.000 -1.506) 2.403 4.663 ( -5.489 0.000 -0.985) 5.577 4.680 ( -0.852 0.000 -2.030) 2.201 4.771 ( -2.192 0.000 2.039) 2.993 4.880 ( 2.133 0.000 -0.019) 2.133 4.892 ( -4.367 0.000 -6.243) 7.619 4.918 ( -3.360 0.000 -1.509) 3.683 4.932 ( -0.959 0.000 -6.664) 6.733 5.073 ( 0.929 0.000 -1.859) 2.078 5.090 ( 1.503 0.000 1.246) 1.952 5.123 ( 0.627 0.000 -2.833) 2.901 5.143 ( 2.152 0.000 1.885) 2.861 5.210 ( -1.403 0.000 2.794) 3.126 5.332 ( -5.724 0.000 2.053) 6.081 5.365 ( -0.699 0.000 3.215) 3.290 5.438 ( -1.392 0.000 -3.610) 3.869 5.493 ( 1.051 0.000 0.205) 1.071 5.547 ( -1.348 0.000 -0.332) 1.388 5.561 ( 2.813 0.000 -2.723) 3.915 5.565 ( -2.966 0.000 -1.442) 3.298 5.671 ( 2.010 0.000 1.121) 2.301 5.691 ( -1.904 0.000 3.791) 4.242 5.732 ( -1.470 0.000 2.961) 3.306 5.738 ( -1.965 0.000 3.646) 4.142 5.785 ( 1.636 0.000 -2.199) 2.741 5.815 ( 0.478 0.000 1.595) 1.665 5.905 ( -0.320 0.000 0.978) 1.029 5.930 ( 0.014 0.000 3.987) 3.987 5.979 ( -2.193 0.000 2.398) 3.250 5.987 ( -3.320 0.000 -0.330) 3.336 6.056 ( 0.262 0.000 -0.572) 0.629 6.099 ( -7.363 0.000 5.576) 9.236 6.119 ( -2.669 0.000 -0.924) 2.824 6.143 ( -3.097 0.000 0.719) 3.179 6.207 ( -2.630 0.000 0.299) 2.647 6.367 ( -10.668 0.000 -3.507) 11.229 6.486 ( 1.617 0.000 2.098) 2.649 6.503 ( 2.053 0.000 1.713) 2.674 6.566 ( 2.212 0.000 -1.718) 2.801 6.578 ( 3.365 0.000 1.699) 3.769 6.604 ( 1.827 0.000 -2.242) 2.892 6.639 ( 2.039 0.000 -0.485) 2.096 6.718 ( 0.764 0.000 2.564) 2.676 6.806 ( -1.289 0.000 -1.761) 2.182 7.321 ( 3.018 0.000 0.432) 3.049 7.348 ( 1.734 0.000 -0.913) 1.960 7.412 ( -0.200 0.000 1.642) 1.654 7.468 ( 4.799 0.000 0.059) 4.800 7.473 ( -0.578 0.000 -0.968) 1.127 7.486 ( 3.469 0.000 0.516) 3.507 7.495 ( 3.500 0.000 -0.326) 3.515 7.573 ( 8.422 0.000 -7.143) 11.044 8.627 ( -0.109 0.000 2.182) 2.185 8.632 ( -0.033 0.000 2.035) 2.036 8.671 ( -1.133 0.000 0.348) 1.186 8.676 ( 0.263 0.000 0.484) 0.551 8.687 ( -0.620 0.000 0.739) 0.965 8.699 ( -1.421 0.000 0.997) 1.735 8.704 ( -1.145 0.000 -0.038) 1.146 8.713 ( -2.095 0.000 -0.080) 2.097 8.732 ( 1.432 0.000 0.428) 1.495 8.755 ( 2.276 0.000 -1.032) 2.499 8.772 ( 0.829 0.000 -1.618) 1.818 8.806 ( 0.274 0.000 -1.234) 1.264 8.825 ( 4.151 0.000 3.915) 5.706 8.881 ( 0.199 0.000 3.151) 3.157 8.948 ( 1.004 0.000 0.878) 1.334 8.952 ( -0.426 0.000 1.758) 1.809 8.977 ( 1.931 0.000 2.986) 3.555 8.999 ( 1.513 0.000 3.360) 3.685 9.010 ( 1.110 0.000 1.250) 1.672 9.076 ( -1.004 0.000 0.678) 1.212 9.179 ( 1.185 0.000 -0.337) 1.232 9.325 ( 5.898 0.000 -7.596) 9.616 9.413 ( -3.289 0.000 -4.916) 5.915 9.435 ( 3.318 0.000 -11.086) 11.572 9.508 ( 2.455 0.000 -1.516) 2.886 9.641 ( -3.992 0.000 1.344) 4.212 9.671 ( -8.811 0.000 0.685) 8.837 9.757 ( 1.468 0.000 3.583) 3.872 9.800 ( -4.697 0.000 1.010) 4.805 9.826 ( 0.261 0.000 -0.849) 0.888 9.877 ( -1.163 0.000 -1.082) 1.589 9.911 ( 1.975 0.000 -0.133) 1.979 9.942 ( -3.063 0.000 1.806) 3.556 10.019 ( -1.984 0.000 -1.711) 2.620 10.063 ( -3.224 0.000 -1.053) 3.392 10.073 ( -3.463 0.000 0.578) 3.511 10.296 ( 0.039 0.000 1.047) 1.048 10.326 ( 0.349 0.000 -1.301) 1.347 10.348 ( -1.045 0.000 2.057) 2.307 10.404 ( -1.160 0.000 1.922) 2.245 10.420 ( 0.467 0.000 1.753) 1.814 10.430 ( 1.123 0.000 0.714) 1.331 10.446 ( 0.795 0.000 -0.090) 0.801 10.487 ( 1.204 0.000 0.886) 1.495 10.508 ( 4.269 0.000 0.006) 4.269 10.593 ( 1.581 0.000 3.169) 3.542 10.603 ( 4.562 0.000 -1.945) 4.960 10.751 ( 4.209 0.000 -7.362) 8.480 10.789 ( 1.449 0.000 -0.237) 1.468 10.804 ( 1.327 0.000 -1.172) 1.771 10.920 ( 0.805 0.000 0.567) 0.984 10.943 ( 1.026 0.000 0.042) 1.027 10.950 ( -1.549 0.000 0.980) 1.833 11.014 ( -2.465 0.000 1.833) 3.072 11.029 ( -1.319 0.000 -1.879) 2.296 11.074 ( -0.210 0.000 -1.222) 1.240 11.191 ( 0.790 0.000 0.042) 0.791 11.206 ( 0.653 0.000 -0.957) 1.159 11.228 ( 0.014 0.000 0.474) 0.474 11.256 ( -0.336 0.000 -0.308) 0.456 11.371 ( 4.551 0.000 0.529) 4.582 11.410 ( 2.799 0.000 -0.661) 2.876 11.608 ( -1.650 0.000 -0.731) 1.805 11.647 ( -2.969 0.000 -1.550) 3.349 ======================= Grid point 27 (12/27) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 19.170 0.000 11.470) 22.340 1.090 ( 21.441 0.000 8.950) 23.234 1.319 ( -18.569 0.000 6.980) 19.837 1.429 ( -11.062 0.000 6.242) 12.702 1.568 ( 4.992 0.000 -9.292) 10.548 1.638 ( -4.618 0.000 4.245) 6.273 1.712 ( 4.097 0.000 -9.811) 10.632 1.757 ( 9.187 0.000 9.909) 13.512 1.772 ( -2.814 0.000 -3.717) 4.662 1.780 ( 4.389 0.000 1.643) 4.686 1.855 ( 5.897 0.000 0.308) 5.905 1.886 ( -3.320 0.000 0.810) 3.417 1.916 ( -0.395 0.000 -1.910) 1.951 1.918 ( 0.196 0.000 2.216) 2.225 2.010 ( 1.539 0.000 -1.215) 1.961 2.042 ( 2.980 0.000 5.424) 6.189 2.064 ( -3.180 0.000 1.907) 3.708 2.158 ( -5.643 0.000 3.888) 6.853 2.199 ( 0.053 0.000 2.725) 2.726 2.203 ( 2.775 0.000 -3.470) 4.443 2.254 ( -2.601 0.000 -2.825) 3.840 2.271 ( -5.753 0.000 2.693) 6.352 2.306 ( 2.282 0.000 0.801) 2.418 2.347 ( -1.253 0.000 -0.530) 1.360 2.369 ( 5.862 0.000 1.113) 5.966 2.389 ( 1.709 0.000 -1.439) 2.233 2.418 ( 2.289 0.000 0.998) 2.497 2.440 ( -3.526 0.000 -2.486) 4.314 2.488 ( 0.325 0.000 0.313) 0.451 2.502 ( -0.445 0.000 0.304) 0.539 2.537 ( 5.866 0.000 -1.699) 6.107 2.543 ( -0.765 0.000 -0.259) 0.808 2.567 ( 5.091 0.000 6.112) 7.955 2.585 ( -6.318 0.000 2.895) 6.950 2.608 ( 3.266 0.000 3.767) 4.986 2.610 ( -1.278 0.000 3.574) 3.796 2.654 ( -2.650 0.000 -1.696) 3.147 2.668 ( -2.792 0.000 3.151) 4.210 2.742 ( -0.098 0.000 0.072) 0.122 2.744 ( 0.259 0.000 2.648) 2.661 2.754 ( -0.909 0.000 -2.538) 2.696 2.760 ( -1.145 0.000 -1.189) 1.651 2.817 ( 1.975 0.000 -2.951) 3.551 2.830 ( 4.772 0.000 1.821) 5.107 2.844 ( 2.242 0.000 0.669) 2.340 2.871 ( 2.034 0.000 0.701) 2.152 2.897 ( -3.318 0.000 -5.039) 6.033 2.913 ( -2.994 0.000 0.585) 3.050 2.939 ( 1.683 0.000 -1.630) 2.343 2.952 ( 3.283 0.000 0.211) 3.290 2.978 ( 4.195 0.000 -5.847) 7.196 2.998 ( -4.521 0.000 -0.453) 4.544 3.003 ( 3.573 0.000 -0.170) 3.577 3.018 ( 3.482 0.000 1.189) 3.680 3.026 ( -0.977 0.000 3.527) 3.660 3.054 ( -4.171 0.000 2.321) 4.774 3.083 ( -3.423 0.000 -5.693) 6.643 3.085 ( -4.560 0.000 3.037) 5.479 3.153 ( 6.669 0.000 -0.237) 6.673 3.175 ( 6.083 0.000 -7.362) 9.550 3.250 ( -2.479 0.000 1.185) 2.748 3.269 ( -1.391 0.000 -4.526) 4.735 3.345 ( -0.606 0.000 -5.279) 5.314 3.392 ( 8.151 0.000 3.776) 8.983 3.434 ( -7.860 0.000 -1.461) 7.995 3.521 ( -2.310 0.000 -1.809) 2.934 3.537 ( 5.903 0.000 -5.826) 8.293 3.551 ( -1.930 0.000 -0.993) 2.170 3.569 ( 1.379 0.000 2.639) 2.977 3.604 ( 5.158 0.000 -6.203) 8.067 3.662 ( -2.307 0.000 -6.515) 6.912 3.708 ( -2.446 0.000 1.033) 2.656 3.715 ( 0.898 0.000 -4.817) 4.900 3.722 ( -2.714 0.000 3.225) 4.215 3.819 ( 4.625 0.000 1.557) 4.880 3.832 ( 0.464 0.000 -5.283) 5.303 3.870 ( -1.737 0.000 -4.293) 4.631 3.915 ( -2.425 0.000 6.252) 6.706 3.951 ( 4.302 0.000 4.378) 6.138 4.000 ( 6.619 0.000 -0.937) 6.685 4.001 ( -7.379 0.000 4.608) 8.700 4.021 ( 3.163 0.000 1.478) 3.491 4.058 ( 5.465 0.000 5.546) 7.787 4.100 ( 1.552 0.000 1.289) 2.018 4.101 ( -1.167 0.000 -0.856) 1.447 4.164 ( -3.392 0.000 1.979) 3.927 4.219 ( -3.578 0.000 1.551) 3.900 4.244 ( -10.590 0.000 -0.193) 10.592 4.248 ( 2.990 0.000 0.950) 3.138 4.283 ( 0.319 0.000 8.498) 8.504 4.292 ( -1.843 0.000 0.041) 1.843 4.347 ( -4.591 0.000 0.035) 4.591 4.396 ( 2.903 0.000 -1.014) 3.075 4.405 ( -0.293 0.000 4.842) 4.851 4.437 ( -1.647 0.000 -2.496) 2.990 4.463 ( -5.050 0.000 3.022) 5.885 4.527 ( -3.014 0.000 -0.891) 3.143 4.538 ( -3.363 0.000 -2.621) 4.264 4.605 ( 1.079 0.000 1.367) 1.741 4.624 ( -1.238 0.000 -0.033) 1.238 4.632 ( 3.064 0.000 0.025) 3.064 4.671 ( 3.600 0.000 -2.928) 4.640 4.706 ( -4.399 0.000 1.476) 4.640 4.713 ( 2.518 0.000 -0.292) 2.535 4.806 ( -4.101 0.000 -8.696) 9.614 4.835 ( -4.891 0.000 -4.764) 6.828 4.909 ( 0.922 0.000 -3.305) 3.431 4.920 ( -0.480 0.000 -6.526) 6.544 5.093 ( 1.626 0.000 -1.011) 1.915 5.113 ( 0.952 0.000 -1.214) 1.543 5.129 ( -0.393 0.000 -2.958) 2.984 5.135 ( -2.657 0.000 -0.240) 2.668 5.221 ( 3.295 0.000 3.435) 4.760 5.305 ( -5.022 0.000 2.292) 5.520 5.307 ( 3.065 0.000 5.499) 6.295 5.383 ( -4.287 0.000 1.899) 4.688 5.523 ( -0.303 0.000 -2.233) 2.253 5.534 ( -1.296 0.000 -1.766) 2.191 5.551 ( 4.584 0.000 3.515) 5.777 5.619 ( 1.498 0.000 -3.015) 3.367 5.648 ( -1.813 0.000 3.890) 4.292 5.678 ( 0.498 0.000 3.232) 3.270 5.700 ( -3.278 0.000 0.037) 3.278 5.701 ( -1.815 0.000 2.706) 3.258 5.841 ( 3.828 0.000 -0.929) 3.939 5.858 ( 4.402 0.000 -0.954) 4.504 5.904 ( -0.084 0.000 0.504) 0.511 5.911 ( -3.912 0.000 0.874) 4.009 5.955 ( 2.220 0.000 2.133) 3.078 5.990 ( 2.696 0.000 1.919) 3.309 6.006 ( -3.264 0.000 2.671) 4.217 6.054 ( -3.729 0.000 0.696) 3.793 6.083 ( -1.449 0.000 -0.614) 1.574 6.107 ( 2.861 0.000 -1.586) 3.271 6.159 ( -2.759 0.000 -0.702) 2.847 6.169 ( -9.687 0.000 -2.374) 9.974 6.518 ( 1.635 0.000 1.937) 2.535 6.530 ( 0.475 0.000 1.679) 1.745 6.610 ( 1.929 0.000 -1.805) 2.642 6.625 ( 0.259 0.000 -2.065) 2.081 6.659 ( 5.088 0.000 0.813) 5.153 6.683 ( 2.479 0.000 0.080) 2.481 6.716 ( -1.023 0.000 1.446) 1.771 6.748 ( -4.486 0.000 -0.206) 4.491 7.382 ( 1.749 0.000 0.017) 1.750 7.386 ( 3.790 0.000 -0.012) 3.790 7.405 ( -0.720 0.000 0.908) 1.159 7.444 ( -2.456 0.000 -0.601) 2.529 7.535 ( 2.412 0.000 0.389) 2.443 7.544 ( 1.716 0.000 0.754) 1.874 7.572 ( 4.233 0.000 -1.128) 4.381 7.625 ( -1.054 0.000 -3.363) 3.524 8.629 ( 0.403 0.000 1.886) 1.928 8.640 ( 0.870 0.000 2.096) 2.270 8.645 ( -1.369 0.000 1.415) 1.969 8.662 ( -1.396 0.000 2.185) 2.592 8.681 ( 0.058 0.000 0.450) 0.454 8.686 ( -0.439 0.000 0.507) 0.670 8.686 ( -0.532 0.000 -0.407) 0.670 8.688 ( -0.627 0.000 -0.500) 0.802 8.763 ( 1.557 0.000 -0.586) 1.664 8.780 ( -0.201 0.000 -1.208) 1.225 8.791 ( 1.450 0.000 -1.305) 1.951 8.806 ( -0.319 0.000 -1.222) 1.263 8.895 ( 3.288 0.000 4.273) 5.392 8.900 ( 1.592 0.000 3.830) 4.147 8.929 ( -1.564 0.000 3.812) 4.120 8.939 ( -1.527 0.000 3.941) 4.227 9.027 ( 1.972 0.000 0.192) 1.981 9.031 ( 1.730 0.000 2.444) 2.994 9.032 ( 0.966 0.000 0.477) 1.077 9.057 ( -1.165 0.000 2.262) 2.544 9.227 ( 4.480 0.000 -0.499) 4.507 9.327 ( -5.819 0.000 -1.776) 6.084 9.417 ( 4.933 0.000 -6.582) 8.225 9.503 ( 3.248 0.000 -12.692) 13.101 9.521 ( -6.108 0.000 1.787) 6.364 9.573 ( -3.845 0.000 -4.774) 6.130 9.581 ( 5.441 0.000 -4.503) 7.062 9.692 ( -6.461 0.000 -2.419) 6.899 9.798 ( 2.603 0.000 2.170) 3.389 9.847 ( -2.402 0.000 0.593) 2.474 9.856 ( 2.450 0.000 -0.998) 2.645 9.900 ( -2.083 0.000 -1.266) 2.438 9.957 ( 2.380 0.000 2.780) 3.659 9.988 ( -0.593 0.000 0.016) 0.593 10.006 ( -3.327 0.000 3.014) 4.489 10.007 ( -2.428 0.000 -0.242) 2.440 10.303 ( 0.747 0.000 1.433) 1.617 10.323 ( -1.447 0.000 2.439) 2.836 10.344 ( 1.501 0.000 -0.737) 1.672 10.374 ( -1.715 0.000 0.846) 1.913 10.438 ( 0.986 0.000 0.974) 1.386 10.446 ( 0.250 0.000 0.354) 0.433 10.466 ( 1.256 0.000 -0.694) 1.435 10.486 ( -0.822 0.000 -0.274) 0.866 10.579 ( 2.938 0.000 2.199) 3.670 10.607 ( -0.260 0.000 3.192) 3.202 10.694 ( 4.667 0.000 -1.473) 4.894 10.754 ( -1.950 0.000 -3.114) 3.674 10.831 ( 3.221 0.000 -0.331) 3.238 10.852 ( 3.093 0.000 -1.900) 3.630 10.896 ( -3.550 0.000 0.116) 3.552 10.913 ( -3.452 0.000 0.176) 3.456 10.945 ( 1.184 0.000 1.130) 1.637 10.972 ( -1.899 0.000 2.070) 2.809 11.038 ( 1.421 0.000 -2.848) 3.183 11.061 ( -1.077 0.000 -1.899) 2.183 11.215 ( 1.581 0.000 0.079) 1.583 11.217 ( 0.556 0.000 -0.356) 0.660 11.226 ( -0.307 0.000 0.096) 0.322 11.241 ( -1.205 0.000 -0.032) 1.205 11.470 ( 5.940 0.000 -0.363) 5.951 11.478 ( 4.349 0.000 -0.462) 4.374 11.555 ( -3.966 0.000 -0.679) 4.024 11.572 ( -5.126 0.000 -1.057) 5.233 ======================= Grid point 30 (13/27) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.000 14.139 21.138) 25.431 0.759 ( 0.000 20.202 15.237) 25.304 1.243 ( 0.000 20.923 33.057) 39.122 1.409 ( 0.000 -8.959 4.005) 9.813 1.502 ( 0.000 0.200 -9.441) 9.443 1.536 ( 0.000 -14.690 11.803) 18.844 1.599 ( 0.000 4.263 -9.905) 10.784 1.707 ( 0.000 -1.515 -1.249) 1.963 1.879 ( 0.000 -3.647 0.215) 3.653 1.881 ( 0.000 4.410 -3.442) 5.595 1.887 ( 0.000 2.366 1.925) 3.050 1.933 ( 0.000 0.775 0.883) 1.175 1.936 ( 0.000 -3.513 -3.728) 5.122 1.991 ( 0.000 -0.265 1.010) 1.044 2.016 ( 0.000 1.139 -1.579) 1.947 2.022 ( 0.000 -0.636 0.724) 0.963 2.043 ( 0.000 -7.422 -1.045) 7.496 2.094 ( 0.000 0.109 -2.068) 2.071 2.162 ( 0.000 -2.579 -0.922) 2.739 2.188 ( 0.000 -4.609 1.055) 4.728 2.203 ( 0.000 -1.505 -1.528) 2.145 2.234 ( 0.000 -1.627 -1.745) 2.386 2.257 ( 0.000 0.257 -1.607) 1.628 2.304 ( 0.000 -2.649 -2.011) 3.326 2.341 ( 0.000 -1.528 -1.832) 2.385 2.347 ( 0.000 -1.794 4.504) 4.848 2.367 ( 0.000 -1.558 0.334) 1.594 2.395 ( 0.000 1.292 -2.201) 2.552 2.432 ( 0.000 0.782 6.098) 6.148 2.435 ( 0.000 -0.076 4.308) 4.308 2.466 ( 0.000 2.699 0.098) 2.701 2.492 ( 0.000 -2.188 2.931) 3.658 2.534 ( 0.000 -2.616 2.052) 3.324 2.591 ( 0.000 -6.092 2.704) 6.665 2.616 ( 0.000 -2.181 -2.225) 3.116 2.618 ( 0.000 2.668 2.430) 3.608 2.649 ( 0.000 -3.058 -1.037) 3.229 2.683 ( 0.000 -4.651 4.543) 6.502 2.705 ( 0.000 -2.482 0.092) 2.484 2.708 ( 0.000 0.106 -0.863) 0.869 2.747 ( 0.000 2.045 -1.352) 2.452 2.763 ( 0.000 -2.673 2.881) 3.931 2.776 ( 0.000 1.935 -0.010) 1.935 2.807 ( 0.000 0.895 0.088) 0.899 2.815 ( 0.000 2.230 1.162) 2.514 2.840 ( 0.000 1.297 -9.767) 9.852 2.868 ( 0.000 0.197 0.770) 0.795 2.872 ( 0.000 1.386 -4.885) 5.078 2.895 ( 0.000 -0.335 1.101) 1.151 2.933 ( 0.000 2.293 -5.041) 5.539 2.949 ( 0.000 -1.667 1.725) 2.399 2.961 ( 0.000 -1.013 -1.160) 1.540 2.987 ( 0.000 1.424 -0.277) 1.451 3.046 ( 0.000 2.919 1.623) 3.340 3.070 ( 0.000 -0.513 -2.314) 2.370 3.077 ( 0.000 -2.036 0.946) 2.245 3.083 ( 0.000 -0.989 -0.697) 1.210 3.155 ( 0.000 2.439 -3.806) 4.521 3.158 ( 0.000 4.872 -4.135) 6.390 3.161 ( 0.000 -2.354 1.142) 2.616 3.224 ( 0.000 0.981 -7.424) 7.489 3.303 ( 0.000 0.809 4.076) 4.156 3.341 ( 0.000 -1.205 -6.457) 6.569 3.385 ( 0.000 -2.522 -1.096) 2.750 3.401 ( 0.000 1.234 -1.877) 2.246 3.449 ( 0.000 2.607 -8.601) 8.987 3.475 ( 0.000 1.783 -2.909) 3.412 3.508 ( 0.000 0.614 -4.852) 4.890 3.585 ( 0.000 -4.274 -0.513) 4.305 3.631 ( 0.000 -5.425 1.823) 5.723 3.665 ( 0.000 1.295 -7.248) 7.362 3.748 ( 0.000 5.223 3.948) 6.547 3.787 ( 0.000 0.471 -2.150) 2.201 3.816 ( 0.000 1.355 0.145) 1.362 3.827 ( 0.000 2.176 3.921) 4.485 3.852 ( 0.000 2.060 2.869) 3.531 3.881 ( 0.000 2.769 -0.268) 2.782 3.897 ( 0.000 5.317 -0.689) 5.361 3.923 ( 0.000 0.659 -1.036) 1.227 3.934 ( 0.000 2.008 2.666) 3.338 3.963 ( 0.000 -1.724 -0.401) 1.770 3.995 ( 0.000 -0.610 0.129) 0.624 4.034 ( 0.000 -0.405 6.481) 6.494 4.095 ( 0.000 -3.726 1.948) 4.204 4.144 ( 0.000 4.724 3.111) 5.657 4.170 ( 0.000 1.090 2.782) 2.988 4.233 ( 0.000 0.220 1.711) 1.725 4.298 ( 0.000 1.850 0.247) 1.866 4.343 ( 0.000 1.154 3.157) 3.361 4.344 ( 0.000 -2.024 6.665) 6.965 4.394 ( 0.000 -2.599 2.122) 3.355 4.405 ( 0.000 -0.172 3.632) 3.636 4.467 ( 0.000 0.269 -1.343) 1.370 4.471 ( 0.000 3.490 -0.795) 3.580 4.524 ( 0.000 -3.411 1.107) 3.586 4.539 ( 0.000 1.563 -2.421) 2.882 4.583 ( 0.000 1.762 -2.127) 2.762 4.596 ( 0.000 2.292 0.076) 2.294 4.636 ( 0.000 -2.630 -6.139) 6.679 4.667 ( 0.000 -2.837 -0.705) 2.924 4.685 ( 0.000 0.553 -4.032) 4.070 4.709 ( 0.000 -0.173 -0.924) 0.940 4.729 ( 0.000 3.437 -0.299) 3.450 4.812 ( 0.000 2.283 -1.001) 2.493 4.848 ( 0.000 -0.849 1.420) 1.655 4.901 ( 0.000 -2.454 -3.824) 4.543 4.918 ( 0.000 -1.408 -4.560) 4.772 4.934 ( 0.000 -1.725 0.050) 1.725 5.080 ( 0.000 0.311 -0.844) 0.900 5.084 ( 0.000 -0.694 0.426) 0.814 5.119 ( 0.000 1.605 -1.269) 2.046 5.143 ( 0.000 2.747 0.322) 2.765 5.261 ( 0.000 2.454 0.313) 2.474 5.355 ( 0.000 -0.362 2.331) 2.359 5.390 ( 0.000 -2.018 -3.638) 4.161 5.404 ( 0.000 -1.337 -1.120) 1.745 5.518 ( 0.000 -0.095 0.701) 0.707 5.527 ( 0.000 1.653 -4.333) 4.638 5.567 ( 0.000 0.321 0.259) 0.412 5.594 ( 0.000 -1.496 -3.651) 3.946 5.655 ( 0.000 1.448 1.924) 2.408 5.711 ( 0.000 -0.604 2.459) 2.532 5.738 ( 0.000 0.035 1.760) 1.760 5.748 ( 0.000 -0.294 1.865) 1.888 5.781 ( 0.000 -0.741 0.044) 0.742 5.855 ( 0.000 3.535 0.839) 3.633 5.863 ( 0.000 -3.388 5.255) 6.252 5.959 ( 0.000 -0.859 1.739) 1.939 5.974 ( 0.000 0.183 4.042) 4.046 6.013 ( 0.000 -3.330 -1.203) 3.541 6.075 ( 0.000 1.355 -2.224) 2.604 6.100 ( 0.000 -1.920 0.906) 2.123 6.164 ( 0.000 -0.135 2.192) 2.196 6.252 ( 0.000 -5.456 5.968) 8.086 6.266 ( 0.000 3.695 -1.826) 4.121 6.444 ( 0.000 -3.289 -2.957) 4.423 6.470 ( 0.000 1.139 1.627) 1.986 6.488 ( 0.000 0.718 1.559) 1.717 6.541 ( 0.000 -1.161 -0.183) 1.175 6.546 ( 0.000 -2.416 1.064) 2.639 6.595 ( 0.000 1.389 -0.084) 1.392 6.626 ( 0.000 0.357 -0.167) 0.394 6.659 ( 0.000 -2.327 1.303) 2.667 6.692 ( 0.000 -3.323 0.908) 3.444 7.311 ( 0.000 1.803 0.367) 1.840 7.340 ( 0.000 0.789 -0.994) 1.269 7.374 ( 0.000 -0.825 0.503) 0.966 7.400 ( 0.000 -1.065 -0.472) 1.165 7.416 ( 0.000 -0.075 1.942) 1.944 7.437 ( 0.000 -1.438 0.497) 1.522 7.458 ( 0.000 0.763 -0.273) 0.810 7.482 ( 0.000 -0.202 -0.871) 0.894 8.628 ( 0.000 -0.093 2.051) 2.053 8.630 ( 0.000 -0.536 2.069) 2.137 8.663 ( 0.000 0.328 -0.180) 0.374 8.668 ( 0.000 -0.705 0.746) 1.026 8.699 ( 0.000 0.341 0.274) 0.438 8.706 ( 0.000 -0.989 -0.223) 1.013 8.706 ( 0.000 -0.622 -0.573) 0.846 8.729 ( 0.000 -2.023 -1.090) 2.298 8.731 ( 0.000 0.497 -0.414) 0.647 8.736 ( 0.000 0.391 0.985) 1.060 8.760 ( 0.000 0.480 5.281) 5.303 8.781 ( 0.000 1.069 -0.212) 1.090 8.836 ( 0.000 1.882 -0.609) 1.978 8.884 ( 0.000 -2.077 3.976) 4.486 8.905 ( 0.000 0.754 1.446) 1.631 8.941 ( 0.000 -0.194 -0.496) 0.533 8.974 ( 0.000 0.645 2.960) 3.029 8.992 ( 0.000 -0.099 5.217) 5.218 9.000 ( 0.000 0.077 2.026) 2.027 9.090 ( 0.000 -6.149 4.686) 7.731 9.109 ( 0.000 1.436 -3.372) 3.665 9.185 ( 0.000 -2.116 -2.660) 3.399 9.408 ( 0.000 0.427 -10.356) 10.365 9.436 ( 0.000 -0.523 -10.724) 10.737 9.505 ( 0.000 1.397 5.348) 5.528 9.672 ( 0.000 -10.817 11.936) 16.108 9.680 ( 0.000 -0.135 4.011) 4.014 9.761 ( 0.000 1.456 -4.359) 4.596 9.785 ( 0.000 -3.165 2.395) 3.969 9.786 ( 0.000 2.764 3.316) 4.317 9.870 ( 0.000 0.052 -2.879) 2.879 9.898 ( 0.000 0.597 3.175) 3.230 9.937 ( 0.000 1.294 1.243) 1.794 9.995 ( 0.000 -2.689 -2.736) 3.836 10.048 ( 0.000 -2.868 -2.956) 4.119 10.077 ( 0.000 -0.890 -2.016) 2.204 10.284 ( 0.000 -0.122 0.942) 0.950 10.307 ( 0.000 0.828 1.246) 1.496 10.346 ( 0.000 -2.468 -0.457) 2.510 10.382 ( 0.000 -1.341 -1.051) 1.704 10.444 ( 0.000 1.859 1.787) 2.579 10.467 ( 0.000 0.207 -0.452) 0.497 10.476 ( 0.000 2.647 1.773) 3.186 10.481 ( 0.000 2.817 -0.486) 2.859 10.512 ( 0.000 0.024 -1.838) 1.838 10.564 ( 0.000 -1.185 0.652) 1.352 10.598 ( 0.000 -0.682 0.522) 0.859 10.600 ( 0.000 3.158 -1.723) 3.597 10.848 ( 0.000 5.991 0.231) 5.996 10.871 ( 0.000 3.698 -1.148) 3.872 10.887 ( 0.000 -3.287 1.285) 3.529 10.906 ( 0.000 -1.732 0.301) 1.758 10.957 ( 0.000 -3.760 2.126) 4.320 10.973 ( 0.000 2.878 0.667) 2.954 11.004 ( 0.000 -5.503 0.205) 5.507 11.086 ( 0.000 -3.939 -3.161) 5.050 11.218 ( 0.000 3.471 0.805) 3.563 11.272 ( 0.000 3.762 -1.172) 3.940 11.289 ( 0.000 2.650 0.293) 2.666 11.321 ( 0.000 0.367 1.001) 1.066 11.361 ( 0.000 0.878 -0.911) 1.265 11.542 ( 0.000 12.210 -13.254) 18.021 11.551 ( 0.000 -5.390 1.599) 5.622 11.690 ( 0.000 0.394 -3.753) 3.774 ======================= Grid point 31 (14/27) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 7.594 13.424 16.148) 22.330 0.912 ( 13.756 14.735 14.980) 25.115 1.402 ( 8.894 4.550 14.775) 17.836 1.476 ( 7.795 -4.118 10.632) 13.812 1.505 ( 3.860 3.756 -5.523) 7.715 1.573 ( -0.618 -9.515 7.418) 12.081 1.586 ( -5.031 -4.825 5.966) 9.175 1.667 ( 4.196 4.154 -11.553) 12.975 1.779 ( -4.982 -1.696 -0.111) 5.264 1.848 ( -2.995 2.090 -3.339) 4.948 1.866 ( -5.700 2.432 2.405) 6.648 1.905 ( -0.260 0.375 1.246) 1.327 1.954 ( -5.688 -4.080 -1.563) 7.172 1.978 ( -1.919 0.390 -0.840) 2.131 1.989 ( -0.595 0.455 0.705) 1.029 2.037 ( 1.230 -4.155 -4.653) 6.358 2.059 ( 1.077 3.075 -0.822) 3.360 2.109 ( 2.581 -2.388 -5.231) 6.303 2.124 ( -2.183 -2.398 1.295) 3.492 2.194 ( 4.556 -1.682 -2.789) 5.601 2.235 ( 0.424 -4.489 -0.504) 4.537 2.252 ( 0.349 -1.636 -2.810) 3.270 2.260 ( 0.524 -3.157 2.332) 3.960 2.324 ( -0.773 -1.087 1.282) 1.850 2.368 ( 0.149 -2.043 -1.527) 2.555 2.374 ( 2.486 -0.020 -0.662) 2.573 2.415 ( 4.555 -2.178 0.111) 5.050 2.426 ( 4.034 -2.024 1.859) 4.882 2.444 ( 1.968 0.538 2.178) 2.984 2.460 ( 0.121 4.630 0.997) 4.737 2.471 ( 2.697 -2.881 3.091) 5.013 2.504 ( 1.213 -0.667 5.874) 6.034 2.519 ( 0.570 0.126 2.962) 3.019 2.589 ( -0.529 -2.120 0.923) 2.372 2.609 ( 0.192 3.806 2.601) 4.614 2.631 ( 0.045 -2.634 1.188) 2.890 2.655 ( 3.380 -1.989 1.036) 4.057 2.673 ( -1.308 -2.082 4.705) 5.309 2.684 ( -0.217 -1.452 1.391) 2.022 2.737 ( -0.286 -0.517 -2.233) 2.310 2.760 ( 0.488 1.136 0.902) 1.531 2.779 ( 1.493 -2.316 1.902) 3.348 2.808 ( 0.374 -0.945 -3.970) 4.098 2.819 ( 3.048 -0.936 -1.206) 3.409 2.826 ( 1.614 1.080 1.534) 2.475 2.846 ( 0.956 0.293 -2.778) 2.952 2.853 ( 0.126 1.783 -2.000) 2.682 2.894 ( 0.308 3.195 -3.775) 4.955 2.915 ( 2.591 -1.062 -0.489) 2.843 2.936 ( 0.863 0.291 -1.121) 1.444 2.956 ( 0.683 0.601 -0.203) 0.933 2.996 ( 0.162 0.456 -1.522) 1.597 3.005 ( 1.512 0.255 -0.023) 1.534 3.014 ( 0.012 -0.363 -0.627) 0.725 3.062 ( 0.570 2.191 1.251) 2.587 3.083 ( -1.111 0.711 -1.253) 1.819 3.102 ( -0.955 -2.128 -1.740) 2.910 3.138 ( 1.593 1.632 -0.405) 2.317 3.162 ( -0.372 -0.000 0.458) 0.590 3.173 ( 2.342 4.791 -4.653) 7.078 3.219 ( -4.553 2.905 0.756) 5.454 3.256 ( 1.550 0.507 -3.779) 4.115 3.361 ( -3.106 -2.007 -0.914) 3.810 3.411 ( 5.878 -4.505 -7.713) 10.692 3.446 ( 1.538 0.053 -3.196) 3.547 3.467 ( 2.011 1.928 -1.183) 3.027 3.497 ( 1.830 0.438 -4.890) 5.240 3.507 ( -0.985 2.610 -4.456) 5.257 3.588 ( 1.282 -2.350 -1.437) 3.039 3.604 ( -4.413 -0.756 0.421) 4.497 3.655 ( -0.491 -1.591 -0.707) 1.809 3.679 ( -1.858 1.618 -1.539) 2.905 3.758 ( -1.809 1.097 -0.805) 2.264 3.788 ( -4.135 0.006 -0.845) 4.220 3.825 ( -0.231 -1.657 2.812) 3.271 3.834 ( -2.162 1.253 -0.188) 2.506 3.859 ( -1.067 2.233 0.046) 2.475 3.870 ( 1.253 4.463 1.527) 4.880 3.894 ( -0.285 -0.996 -0.711) 1.257 3.962 ( -0.667 -0.077 1.677) 1.806 4.000 ( 1.792 -0.058 2.517) 3.090 4.024 ( 2.135 1.790 0.544) 2.839 4.057 ( 3.360 -0.294 3.396) 4.786 4.102 ( 1.238 -2.262 0.703) 2.673 4.167 ( -1.057 0.136 2.197) 2.442 4.201 ( 0.510 1.422 2.869) 3.242 4.207 ( -2.697 2.101 0.977) 3.555 4.285 ( -1.320 -0.345 0.864) 1.615 4.304 ( -5.357 0.788 3.452) 6.421 4.332 ( -2.570 -0.028 6.114) 6.632 4.341 ( 1.792 1.541 6.003) 6.452 4.409 ( -1.059 0.695 -1.268) 1.792 4.444 ( -4.862 0.238 -0.304) 4.877 4.474 ( -0.544 1.634 0.488) 1.790 4.504 ( -1.903 -0.435 0.004) 1.952 4.531 ( -0.605 1.218 -0.754) 1.555 4.567 ( -1.999 0.209 -1.386) 2.441 4.586 ( -0.988 1.033 -1.551) 2.110 4.619 ( -1.210 -2.151 -2.896) 3.805 4.624 ( -3.516 -0.106 -3.176) 4.739 4.645 ( -2.401 -0.031 -1.598) 2.884 4.672 ( -2.683 0.222 -1.424) 3.045 4.710 ( -0.898 3.386 -1.263) 3.723 4.774 ( -3.295 0.576 0.274) 3.356 4.853 ( -1.085 -2.559 -1.322) 3.078 4.878 ( -2.214 -2.445 -4.684) 5.729 4.893 ( -1.660 -0.055 -2.207) 2.762 4.933 ( -0.756 -0.690 -1.994) 2.242 5.072 ( 0.402 0.333 -0.476) 0.706 5.117 ( 1.580 1.076 -2.301) 2.992 5.126 ( 0.868 0.711 -0.531) 1.241 5.159 ( 1.218 1.177 -0.671) 1.822 5.225 ( -2.266 1.339 1.528) 3.044 5.299 ( -4.248 -1.950 2.949) 5.526 5.387 ( -0.360 0.975 1.185) 1.576 5.424 ( -0.971 -1.013 -2.044) 2.479 5.503 ( -0.591 0.640 2.156) 2.325 5.549 ( -2.618 -0.752 -1.152) 2.957 5.550 ( 1.282 0.288 -2.345) 2.688 5.568 ( 0.342 0.131 -1.888) 1.923 5.674 ( 0.755 0.059 2.848) 2.947 5.695 ( -2.113 0.661 3.157) 3.856 5.716 ( -1.634 -1.510 3.296) 3.976 5.740 ( -2.671 -0.184 3.744) 4.603 5.780 ( 2.764 -0.243 0.516) 2.822 5.821 ( -0.092 -0.050 1.441) 1.445 5.891 ( 0.996 0.414 -0.096) 1.083 5.940 ( -0.359 -0.164 1.512) 1.563 5.963 ( -1.092 -0.442 3.428) 3.625 6.016 ( -3.781 1.568 -0.953) 4.203 6.035 ( 2.020 -1.684 -1.838) 3.209 6.079 ( -3.279 -1.267 1.775) 3.938 6.121 ( -4.876 0.296 2.075) 5.307 6.144 ( -3.631 -0.191 1.524) 3.942 6.233 ( -3.528 2.209 -1.140) 4.316 6.343 ( -9.617 -2.273 -3.452) 10.467 6.499 ( 1.961 1.175 2.345) 3.274 6.517 ( 2.836 1.549 1.401) 3.522 6.552 ( 3.328 -1.203 0.745) 3.616 6.592 ( 2.190 0.408 -1.252) 2.555 6.614 ( 2.486 1.437 -0.626) 2.939 6.644 ( 1.961 0.497 -0.499) 2.084 6.694 ( 1.439 -2.001 1.778) 3.039 6.755 ( 1.780 -4.246 -0.887) 4.689 7.339 ( 2.830 1.714 0.317) 3.323 7.359 ( 2.027 1.081 -0.544) 2.361 7.411 ( 0.564 -0.101 1.242) 1.368 7.446 ( 3.356 -2.232 -0.432) 4.054 7.458 ( 3.158 -1.483 0.077) 3.490 7.474 ( 3.315 -1.991 0.361) 3.884 7.485 ( 1.074 -0.220 -0.765) 1.337 7.509 ( 5.409 -2.951 -2.165) 6.531 8.627 ( 0.024 -0.020 1.923) 1.924 8.630 ( 0.050 -0.164 2.082) 2.089 8.662 ( -0.741 -0.424 0.860) 1.212 8.671 ( 0.112 -0.335 0.415) 0.545 8.689 ( -0.833 0.004 -0.280) 0.879 8.692 ( -0.949 -0.358 0.957) 1.395 8.700 ( -0.948 -0.408 0.343) 1.087 8.705 ( -1.537 -0.755 -0.679) 1.842 8.742 ( 1.148 0.324 0.320) 1.235 8.754 ( 1.775 -0.041 0.408) 1.821 8.767 ( 0.932 0.594 1.181) 1.617 8.807 ( 0.888 -0.467 -0.260) 1.036 8.852 ( 2.460 1.894 2.168) 3.786 8.882 ( 0.748 0.054 2.734) 2.835 8.943 ( 1.402 -0.114 1.696) 2.203 8.951 ( 0.381 0.125 1.447) 1.502 8.990 ( 1.683 0.918 3.194) 3.726 9.002 ( 1.877 0.305 2.766) 3.356 9.011 ( 1.230 0.202 1.203) 1.732 9.072 ( -0.565 -0.896 2.061) 2.317 9.165 ( 2.709 -0.928 -1.225) 3.114 9.247 ( 7.128 -5.524 -5.523) 10.574 9.417 ( -1.399 0.496 -7.287) 7.437 9.439 ( 1.685 0.241 -10.641) 10.776 9.508 ( 1.293 0.100 0.907) 1.583 9.600 ( -5.827 -5.031 6.662) 10.180 9.654 ( -2.997 1.002 0.408) 3.187 9.738 ( -1.934 -1.896 0.306) 2.726 9.785 ( -1.006 -0.893 0.651) 1.495 9.806 ( 1.349 -0.517 1.090) 1.810 9.861 ( -1.137 -0.473 -1.850) 2.222 9.899 ( 0.481 1.128 3.287) 3.508 9.915 ( -1.834 -1.941 -0.670) 2.753 10.008 ( 0.747 1.264 -0.396) 1.521 10.028 ( 0.227 -1.960 -0.054) 1.973 10.101 ( 0.087 0.097 -0.786) 0.797 10.282 ( 0.016 -0.180 0.402) 0.441 10.310 ( 0.209 0.453 0.455) 0.676 10.353 ( -0.532 -1.947 -0.423) 2.063 10.367 ( -0.362 -1.814 -0.307) 1.875 10.423 ( -1.279 1.415 2.672) 3.283 10.450 ( -1.564 1.234 0.410) 2.034 10.459 ( -0.110 0.346 -0.518) 0.632 10.497 ( 0.968 -0.904 0.021) 1.325 10.519 ( 0.748 1.511 1.522) 2.271 10.585 ( 1.107 0.464 -0.239) 1.223 10.626 ( 3.570 -1.968 -1.189) 4.246 10.653 ( 3.562 -0.223 -1.068) 3.725 10.838 ( -1.018 2.356 0.214) 2.576 10.858 ( -0.215 3.814 -0.357) 3.836 10.883 ( -1.354 -0.017 1.154) 1.779 10.910 ( -0.502 -0.655 0.467) 0.948 10.966 ( 2.101 -0.993 -0.066) 2.324 10.989 ( -0.361 -4.093 -0.034) 4.109 11.008 ( 2.159 -0.301 1.417) 2.600 11.092 ( -0.044 -3.730 -2.015) 4.239 11.221 ( 0.543 3.671 0.568) 3.754 11.270 ( 0.006 4.030 -1.372) 4.257 11.292 ( -0.326 3.887 0.453) 3.927 11.348 ( 2.548 -0.333 -0.637) 2.648 11.383 ( 2.270 0.938 -0.992) 2.649 11.457 ( -5.088 6.767 -3.965) 9.348 11.557 ( -1.535 -2.364 -1.876) 3.386 11.657 ( -3.564 -0.209 -3.421) 4.945 ======================= Grid point 32 (15/27) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 14.992 5.880 11.259) 19.649 1.207 ( 14.786 9.060 8.785) 19.440 1.311 ( -12.258 1.830 6.941) 14.205 1.467 ( -1.528 -4.155 5.332) 6.930 1.530 ( 0.845 -4.373 -4.055) 6.023 1.601 ( -12.169 -0.325 3.584) 12.690 1.688 ( 5.554 -7.291 3.100) 9.675 1.713 ( 3.274 -2.827 -2.516) 5.004 1.737 ( 0.948 0.351 2.679) 2.863 1.794 ( 4.322 1.873 -5.223) 7.033 1.836 ( -4.995 -1.676 -4.748) 7.092 1.855 ( 4.790 4.373 -1.217) 6.599 1.895 ( -3.169 -2.331 -2.731) 4.789 1.952 ( 0.115 -0.588 -2.771) 2.835 1.992 ( -2.299 -0.551 1.809) 2.977 2.042 ( -2.980 1.150 2.562) 4.095 2.089 ( 3.446 -1.279 0.306) 3.689 2.108 ( 1.498 -2.384 2.403) 3.701 2.152 ( 2.698 -4.680 -5.082) 7.417 2.189 ( -2.031 -1.701 0.916) 2.803 2.234 ( 0.021 -0.356 -0.967) 1.031 2.256 ( -1.005 1.285 1.529) 2.236 2.317 ( 4.119 -0.292 -1.063) 4.264 2.336 ( 4.406 -1.689 2.330) 5.262 2.390 ( -1.972 0.905 0.181) 2.177 2.405 ( 2.574 -1.133 -0.982) 2.979 2.419 ( -2.028 -2.908 1.761) 3.959 2.428 ( -0.859 2.453 2.205) 3.408 2.478 ( 0.370 1.174 0.018) 1.231 2.491 ( 2.395 0.171 4.410) 5.021 2.521 ( 1.112 -2.215 4.703) 5.316 2.560 ( -0.112 0.032 0.510) 0.523 2.572 ( -0.808 1.776 1.251) 2.318 2.579 ( 1.284 -1.064 1.811) 2.462 2.601 ( 2.174 2.399 1.900) 3.754 2.624 ( 0.083 -1.219 2.567) 2.843 2.647 ( -2.215 0.757 2.085) 3.135 2.673 ( -1.164 -1.162 3.844) 4.181 2.690 ( 2.242 0.637 2.516) 3.429 2.722 ( -0.356 0.484 1.351) 1.479 2.798 ( 0.956 -0.231 -2.186) 2.397 2.808 ( -1.262 1.068 -2.270) 2.808 2.829 ( 3.221 1.364 -0.040) 3.499 2.849 ( -0.637 0.823 -1.089) 1.507 2.852 ( 0.448 0.146 -1.949) 2.005 2.875 ( 1.808 -0.485 -0.233) 1.887 2.885 ( 2.116 -2.150 0.370) 3.039 2.898 ( 3.665 -1.204 -2.072) 4.379 2.919 ( -1.311 -1.707 1.403) 2.569 2.961 ( -1.156 0.326 2.699) 2.954 2.968 ( 2.091 0.453 -2.666) 3.418 2.986 ( -0.483 1.374 -1.065) 1.804 3.010 ( -0.077 1.941 1.306) 2.341 3.018 ( 0.044 0.839 1.111) 1.393 3.061 ( -2.558 0.048 -2.666) 3.695 3.064 ( -0.492 0.433 0.834) 1.061 3.106 ( 1.209 -0.688 -0.671) 1.544 3.116 ( -3.499 3.184 1.257) 4.895 3.148 ( 2.181 0.303 -0.081) 2.204 3.211 ( 3.289 3.244 -6.612) 8.066 3.240 ( 1.041 -0.942 0.936) 1.688 3.299 ( 0.379 -1.940 -2.453) 3.150 3.321 ( -0.583 3.364 -3.350) 4.783 3.402 ( -5.828 0.864 -2.886) 6.560 3.429 ( 1.204 -1.362 1.720) 2.503 3.483 ( 0.766 -1.543 -1.582) 2.339 3.512 ( 1.014 -2.444 -0.690) 2.735 3.547 ( 2.756 0.644 -3.079) 4.182 3.577 ( 2.166 0.761 0.154) 2.301 3.624 ( 0.991 -1.156 -1.662) 2.254 3.685 ( 1.348 0.221 -5.801) 5.959 3.691 ( -1.865 0.706 -1.250) 2.353 3.730 ( 0.015 2.421 -4.520) 5.128 3.748 ( 3.183 -1.970 -3.411) 5.065 3.770 ( -4.129 0.745 -3.541) 5.490 3.815 ( -2.989 0.269 -3.438) 4.563 3.874 ( 3.259 -4.493 0.933) 5.628 3.889 ( 1.141 -0.304 0.440) 1.260 3.912 ( 3.077 -1.751 -1.304) 3.773 3.955 ( -2.729 -0.515 1.164) 3.011 4.036 ( 1.519 2.237 2.764) 3.867 4.059 ( -2.415 1.143 0.922) 2.826 4.065 ( 4.366 -0.430 4.134) 6.028 4.110 ( -4.886 1.962 0.948) 5.350 4.132 ( 0.803 -0.492 3.005) 3.149 4.146 ( 0.861 -0.104 0.783) 1.169 4.183 ( -1.683 -3.514 1.288) 4.104 4.216 ( -5.530 -0.655 2.460) 6.088 4.271 ( -1.509 0.093 3.088) 3.438 4.284 ( -4.836 1.450 2.965) 5.855 4.302 ( -1.169 1.104 5.791) 6.010 4.354 ( -5.283 -0.238 1.871) 5.609 4.412 ( 4.343 2.202 3.277) 5.869 4.468 ( 0.048 4.243 -2.345) 4.848 4.476 ( -0.800 2.164 -0.650) 2.397 4.491 ( -3.213 2.281 1.890) 4.371 4.526 ( -1.500 1.284 -1.702) 2.607 4.546 ( -2.926 0.554 -0.825) 3.090 4.607 ( 1.390 -1.080 1.559) 2.351 4.623 ( -0.410 -0.373 -1.906) 1.985 4.634 ( 0.577 0.137 -1.829) 1.923 4.657 ( 2.986 -0.932 -3.134) 4.427 4.690 ( -2.448 0.758 0.557) 2.623 4.738 ( -1.120 0.784 0.270) 1.394 4.797 ( -1.992 -1.308 -7.740) 8.098 4.833 ( -3.026 0.703 -4.253) 5.267 4.883 ( 0.445 -2.581 -3.508) 4.378 4.906 ( -1.827 -1.131 -4.071) 4.603 5.088 ( 1.291 0.808 -0.464) 1.592 5.117 ( -1.640 0.566 -2.133) 2.749 5.140 ( 0.840 0.723 -2.017) 2.302 5.161 ( -1.190 0.447 -2.843) 3.114 5.229 ( 3.433 1.021 4.025) 5.388 5.289 ( 2.238 -0.865 4.765) 5.335 5.325 ( -4.440 0.882 2.842) 5.345 5.372 ( -4.324 -1.027 1.697) 4.758 5.511 ( 1.103 -0.279 1.090) 1.575 5.535 ( -0.826 0.115 -0.192) 0.855 5.553 ( 1.745 -0.259 1.331) 2.210 5.597 ( -0.339 -1.673 -1.418) 2.219 5.649 ( 0.158 0.315 2.852) 2.873 5.676 ( 0.358 -0.762 2.783) 2.908 5.691 ( -1.724 0.190 0.239) 1.751 5.709 ( -2.171 0.120 1.757) 2.796 5.842 ( 3.907 -0.072 0.363) 3.924 5.855 ( 3.200 -0.098 -1.110) 3.389 5.890 ( -0.825 -0.310 -0.828) 1.209 5.915 ( -3.023 -0.537 -0.169) 3.075 5.976 ( 1.655 1.793 1.526) 2.878 5.996 ( 2.253 0.413 1.700) 2.852 6.016 ( -3.028 0.879 2.737) 4.175 6.049 ( -1.167 -0.487 -0.082) 1.267 6.075 ( -2.004 -0.109 0.735) 2.137 6.101 ( 2.506 -0.925 -1.905) 3.281 6.161 ( -6.702 0.013 -1.568) 6.883 6.168 ( -5.760 -0.054 -1.975) 6.089 6.539 ( 2.001 1.857 1.962) 3.362 6.554 ( 0.648 2.273 1.502) 2.800 6.617 ( 2.567 -0.531 -0.508) 2.670 6.626 ( 1.148 0.376 -1.444) 1.882 6.658 ( 2.582 0.584 0.280) 2.662 6.683 ( 1.868 -0.257 0.097) 1.888 6.702 ( -0.418 -1.072 0.965) 1.502 6.735 ( -2.800 -1.487 -0.372) 3.192 7.393 ( 2.180 1.241 0.193) 2.516 7.402 ( 2.610 1.374 0.163) 2.954 7.415 ( 0.007 1.059 0.581) 1.208 7.450 ( -1.670 0.447 -0.546) 1.813 7.515 ( 2.043 -1.840 0.185) 2.755 7.520 ( 1.575 -1.977 0.263) 2.542 7.534 ( 3.001 -3.240 -0.474) 4.442 7.565 ( 0.195 -4.699 -1.805) 5.037 8.629 ( 0.326 0.075 1.768) 1.799 8.636 ( 0.308 -0.188 1.728) 1.765 8.644 ( -0.619 -0.128 1.611) 1.731 8.658 ( -1.291 -0.489 1.988) 2.420 8.677 ( -0.151 -0.152 0.154) 0.264 8.679 ( -0.333 -0.076 -0.306) 0.458 8.688 ( -0.426 -0.173 -0.281) 0.538 8.689 ( -0.430 -0.200 0.123) 0.490 8.765 ( 1.116 0.270 -0.056) 1.149 8.774 ( 0.227 0.226 0.536) 0.625 8.790 ( 1.394 -0.281 -0.546) 1.523 8.808 ( -0.519 -0.316 -0.431) 0.745 8.904 ( 2.409 0.580 3.589) 4.362 8.907 ( 1.974 0.586 3.233) 3.833 8.935 ( -1.317 0.457 3.560) 3.823 8.943 ( -1.338 0.235 3.550) 3.801 9.034 ( 1.355 0.468 1.363) 1.978 9.037 ( 1.173 0.637 0.425) 1.401 9.038 ( 1.887 0.508 1.629) 2.544 9.061 ( -0.852 0.147 1.931) 2.115 9.233 ( 5.480 0.930 -1.696) 5.812 9.343 ( -5.814 1.627 -2.850) 6.676 9.374 ( 6.269 -4.279 -6.524) 10.009 9.471 ( -3.047 -3.434 -9.915) 10.926 9.518 ( 1.479 0.670 0.273) 1.647 9.566 ( 3.009 -0.680 -3.428) 4.612 9.589 ( -2.556 0.852 -4.346) 5.113 9.666 ( -5.440 -2.191 -2.154) 6.247 9.790 ( 1.636 -0.307 0.386) 1.709 9.828 ( -2.248 -1.022 0.322) 2.490 9.831 ( 1.535 -2.759 0.342) 3.176 9.866 ( -2.379 -2.563 -1.067) 3.656 9.941 ( 3.083 1.963 4.067) 5.469 9.998 ( -2.423 3.414 3.254) 5.302 10.049 ( 1.632 1.197 0.475) 2.079 10.079 ( -1.645 1.732 0.269) 2.404 10.293 ( 1.157 -0.616 0.290) 1.343 10.315 ( -0.437 -0.402 0.673) 0.898 10.329 ( -0.194 -1.362 -0.993) 1.697 10.353 ( -1.500 -2.596 -0.099) 3.000 10.423 ( 0.541 -0.267 1.343) 1.472 10.433 ( -0.692 0.797 1.483) 1.820 10.471 ( 1.080 -0.542 -0.024) 1.209 10.487 ( -0.724 -0.348 -0.246) 0.840 10.560 ( 2.276 -0.632 2.331) 3.319 10.586 ( -0.702 -0.430 1.821) 1.999 10.688 ( 2.318 -5.672 -2.075) 6.469 10.699 ( 1.181 -2.025 -2.129) 3.167 10.828 ( 0.274 1.655 0.816) 1.866 10.851 ( -1.843 1.250 1.275) 2.566 10.863 ( 0.668 3.738 -0.514) 3.832 10.884 ( -1.735 1.207 -0.228) 2.126 11.003 ( 1.755 -0.339 0.326) 1.817 11.009 ( 1.259 -0.952 0.389) 1.625 11.039 ( 1.521 -2.052 0.346) 2.577 11.074 ( -1.878 -2.128 -1.352) 3.144 11.242 ( 1.769 4.167 0.359) 4.541 11.274 ( -0.929 3.760 -0.126) 3.875 11.282 ( 0.732 4.903 -1.049) 5.067 11.324 ( -3.715 7.692 -2.416) 8.877 11.443 ( 3.614 -2.073 0.034) 4.167 11.465 ( 5.246 -1.639 -1.017) 5.589 11.509 ( -3.434 -3.252 -0.449) 4.751 11.570 ( -5.713 -1.245 -2.316) 6.289 ======================= Grid point 35 (16/27) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.000 -14.492 13.607) 19.878 1.081 ( 0.000 14.492 13.607) 19.878 1.185 ( 0.000 -16.908 13.882) 21.877 1.185 ( 0.000 16.908 13.882) 21.877 1.609 ( 0.000 -6.106 -4.774) 7.751 1.609 ( 0.000 6.106 -4.774) 7.751 1.713 ( 0.000 -8.083 1.915) 8.307 1.713 ( 0.000 8.083 1.915) 8.307 1.817 ( 0.000 -7.428 0.117) 7.429 1.817 ( 0.000 7.428 0.117) 7.429 1.890 ( 0.000 -2.956 -1.293) 3.227 1.890 ( 0.000 2.956 -1.293) 3.227 1.933 ( 0.000 -2.417 0.115) 2.420 1.933 ( 0.000 2.417 0.115) 2.420 1.985 ( 0.000 -0.129 2.142) 2.146 1.985 ( 0.000 0.129 2.142) 2.146 2.050 ( 0.000 -3.831 -3.346) 5.086 2.050 ( 0.000 3.831 -3.346) 5.086 2.126 ( 0.000 -0.293 -0.416) 0.509 2.126 ( 0.000 0.293 -0.416) 0.509 2.198 ( 0.000 -0.970 -2.475) 2.658 2.198 ( 0.000 0.970 -2.475) 2.658 2.239 ( 0.000 -2.311 0.572) 2.380 2.239 ( 0.000 2.311 0.572) 2.380 2.299 ( 0.000 -2.425 -0.335) 2.448 2.299 ( 0.000 2.425 -0.335) 2.448 2.405 ( 0.000 -0.123 -0.106) 0.162 2.405 ( 0.000 0.123 -0.106) 0.162 2.450 ( 0.000 -0.382 0.618) 0.727 2.450 ( 0.000 0.382 0.618) 0.727 2.494 ( 0.000 -0.049 4.451) 4.451 2.494 ( 0.000 0.049 4.451) 4.451 2.551 ( 0.000 -3.930 -0.948) 4.043 2.551 ( 0.000 3.930 -0.948) 4.043 2.567 ( 0.000 -3.745 5.031) 6.272 2.567 ( 0.000 3.745 5.031) 6.272 2.635 ( 0.000 -2.263 3.655) 4.299 2.635 ( 0.000 2.263 3.655) 4.299 2.694 ( 0.000 -1.446 2.520) 2.905 2.694 ( 0.000 1.446 2.520) 2.905 2.747 ( 0.000 -1.068 -1.266) 1.657 2.747 ( 0.000 1.068 -1.266) 1.657 2.819 ( 0.000 -1.391 0.941) 1.679 2.819 ( 0.000 1.391 0.941) 1.679 2.833 ( 0.000 -0.436 1.353) 1.422 2.833 ( 0.000 0.436 1.353) 1.422 2.875 ( 0.000 -0.421 1.468) 1.527 2.875 ( 0.000 0.421 1.468) 1.527 2.904 ( 0.000 -0.306 0.052) 0.310 2.904 ( 0.000 0.306 0.052) 0.310 3.001 ( 0.000 -6.125 -10.520) 12.173 3.001 ( 0.000 6.125 -10.520) 12.173 3.020 ( 0.000 -0.583 0.383) 0.698 3.020 ( 0.000 0.583 0.383) 0.698 3.059 ( 0.000 -3.055 -5.155) 5.992 3.059 ( 0.000 3.055 -5.155) 5.992 3.099 ( 0.000 -1.580 2.414) 2.885 3.099 ( 0.000 1.580 2.414) 2.885 3.213 ( 0.000 -3.324 -5.609) 6.520 3.213 ( 0.000 3.324 -5.609) 6.520 3.243 ( 0.000 -4.027 -5.860) 7.111 3.243 ( 0.000 4.027 -5.860) 7.111 3.344 ( 0.000 -2.839 -0.103) 2.841 3.344 ( 0.000 2.839 -0.103) 2.841 3.464 ( 0.000 -3.443 -1.074) 3.607 3.464 ( 0.000 3.443 -1.074) 3.607 3.511 ( 0.000 -1.170 -8.020) 8.105 3.511 ( 0.000 1.170 -8.020) 8.105 3.551 ( 0.000 -1.759 0.109) 1.762 3.551 ( 0.000 1.759 0.109) 1.762 3.732 ( 0.000 -4.708 -7.769) 9.084 3.732 ( 0.000 4.708 -7.769) 9.084 3.823 ( 0.000 -1.312 4.570) 4.755 3.823 ( 0.000 1.312 4.570) 4.755 3.874 ( 0.000 -4.376 2.164) 4.882 3.874 ( 0.000 4.376 2.164) 4.882 3.907 ( 0.000 -1.853 0.843) 2.036 3.907 ( 0.000 1.853 0.843) 2.036 3.944 ( 0.000 -0.229 -1.250) 1.271 3.944 ( 0.000 0.229 -1.250) 1.271 4.001 ( 0.000 -4.112 4.672) 6.224 4.001 ( 0.000 4.112 4.672) 6.224 4.021 ( 0.000 -2.118 2.808) 3.518 4.021 ( 0.000 2.118 2.808) 3.518 4.189 ( 0.000 -0.591 3.057) 3.113 4.189 ( 0.000 0.591 3.057) 3.113 4.289 ( 0.000 -4.981 2.394) 5.527 4.289 ( 0.000 4.981 2.394) 5.527 4.320 ( 0.000 -0.204 3.193) 3.199 4.320 ( 0.000 0.204 3.193) 3.199 4.392 ( 0.000 -1.415 6.145) 6.306 4.392 ( 0.000 1.415 6.145) 6.306 4.473 ( 0.000 -1.059 -1.158) 1.569 4.473 ( 0.000 1.059 -1.158) 1.569 4.557 ( 0.000 -3.895 -4.213) 5.738 4.557 ( 0.000 3.895 -4.213) 5.738 4.589 ( 0.000 -1.706 -3.309) 3.722 4.589 ( 0.000 1.706 -3.309) 3.722 4.639 ( 0.000 -0.858 -0.778) 1.159 4.639 ( 0.000 0.858 -0.778) 1.159 4.685 ( 0.000 -0.166 -3.243) 3.247 4.685 ( 0.000 0.166 -3.243) 3.247 4.807 ( 0.000 -3.114 1.660) 3.529 4.807 ( 0.000 3.114 1.660) 3.529 4.856 ( 0.000 -2.047 -3.528) 4.078 4.856 ( 0.000 2.047 -3.528) 4.078 4.910 ( 0.000 -0.541 -0.701) 0.885 4.910 ( 0.000 0.541 -0.701) 0.885 5.071 ( 0.000 -0.052 1.315) 1.316 5.071 ( 0.000 0.052 1.315) 1.316 5.161 ( 0.000 -1.278 -4.608) 4.783 5.161 ( 0.000 1.278 -4.608) 4.783 5.321 ( 0.000 -3.007 1.201) 3.238 5.321 ( 0.000 3.007 1.201) 3.238 5.377 ( 0.000 -0.677 -0.349) 0.762 5.377 ( 0.000 0.677 -0.349) 0.762 5.539 ( 0.000 -1.169 -1.951) 2.274 5.539 ( 0.000 1.169 -1.951) 2.274 5.567 ( 0.000 -0.242 -0.789) 0.825 5.567 ( 0.000 0.242 -0.789) 0.825 5.690 ( 0.000 -1.599 2.360) 2.851 5.690 ( 0.000 1.599 2.360) 2.851 5.742 ( 0.000 -0.144 0.668) 0.684 5.742 ( 0.000 0.144 0.668) 0.684 5.793 ( 0.000 -2.589 6.407) 6.910 5.793 ( 0.000 2.589 6.407) 6.910 5.933 ( 0.000 -3.796 -1.074) 3.945 5.933 ( 0.000 3.796 -1.074) 3.945 5.958 ( 0.000 -1.029 3.319) 3.475 5.958 ( 0.000 1.029 3.319) 3.475 6.088 ( 0.000 -0.073 -0.991) 0.994 6.088 ( 0.000 0.073 -0.991) 0.994 6.183 ( 0.000 -2.021 3.134) 3.729 6.183 ( 0.000 2.021 3.134) 3.729 6.356 ( 0.000 -4.885 -2.817) 5.639 6.356 ( 0.000 4.885 -2.817) 5.639 6.498 ( 0.000 -1.270 1.537) 1.994 6.498 ( 0.000 1.270 1.537) 1.994 6.516 ( 0.000 -0.851 1.295) 1.550 6.516 ( 0.000 0.851 1.295) 1.550 6.631 ( 0.000 -1.635 -0.302) 1.663 6.631 ( 0.000 1.635 -0.302) 1.663 6.639 ( 0.000 -1.367 -0.385) 1.420 6.639 ( 0.000 1.367 -0.385) 1.420 7.352 ( 0.000 -1.595 -0.016) 1.595 7.352 ( 0.000 1.595 -0.016) 1.595 7.364 ( 0.000 -1.956 -0.127) 1.960 7.364 ( 0.000 1.956 -0.127) 1.960 7.417 ( 0.000 -0.405 1.417) 1.473 7.417 ( 0.000 0.405 1.417) 1.473 7.474 ( 0.000 -0.666 -0.786) 1.030 7.474 ( 0.000 0.666 -0.786) 1.030 8.626 ( 0.000 -0.012 1.958) 1.958 8.626 ( 0.000 0.012 1.958) 1.958 8.666 ( 0.000 -0.168 0.550) 0.575 8.666 ( 0.000 0.168 0.550) 0.575 8.692 ( 0.000 -0.205 -0.287) 0.353 8.692 ( 0.000 0.205 -0.287) 0.353 8.707 ( 0.000 -0.370 -0.819) 0.899 8.707 ( 0.000 0.370 -0.819) 0.899 8.739 ( 0.000 -0.160 0.870) 0.884 8.739 ( 0.000 0.160 0.870) 0.884 8.776 ( 0.000 -1.022 3.911) 4.042 8.776 ( 0.000 1.022 3.911) 4.042 8.863 ( 0.000 -0.673 1.201) 1.377 8.863 ( 0.000 0.673 1.201) 1.377 8.925 ( 0.000 -1.136 0.775) 1.375 8.925 ( 0.000 1.136 0.775) 1.375 8.988 ( 0.000 -0.436 5.129) 5.148 8.988 ( 0.000 0.436 5.129) 5.148 9.013 ( 0.000 -1.750 0.883) 1.960 9.013 ( 0.000 1.750 0.883) 1.960 9.145 ( 0.000 -1.948 -2.907) 3.500 9.145 ( 0.000 1.948 -2.907) 3.500 9.421 ( 0.000 -0.800 -10.202) 10.234 9.421 ( 0.000 0.800 -10.202) 10.234 9.550 ( 0.000 -3.229 6.906) 7.623 9.550 ( 0.000 3.229 6.906) 7.623 9.715 ( 0.000 -2.827 1.748) 3.324 9.715 ( 0.000 2.827 1.748) 3.324 9.806 ( 0.000 -1.472 -1.164) 1.876 9.806 ( 0.000 1.472 -1.164) 1.876 9.882 ( 0.000 -1.269 -0.567) 1.390 9.882 ( 0.000 1.269 -0.567) 1.390 9.952 ( 0.000 -1.422 0.516) 1.512 9.952 ( 0.000 1.422 0.516) 1.512 10.047 ( 0.000 -1.669 -1.949) 2.566 10.047 ( 0.000 1.669 -1.949) 2.566 10.296 ( 0.000 -1.265 0.137) 1.272 10.296 ( 0.000 1.265 0.137) 1.272 10.347 ( 0.000 -1.802 -0.399) 1.846 10.347 ( 0.000 1.802 -0.399) 1.846 10.461 ( 0.000 -0.498 0.339) 0.603 10.461 ( 0.000 0.498 0.339) 0.603 10.510 ( 0.000 -0.124 -0.871) 0.880 10.510 ( 0.000 0.124 -0.871) 0.880 10.526 ( 0.000 -1.291 2.073) 2.442 10.526 ( 0.000 1.291 2.073) 2.442 10.635 ( 0.000 -0.966 -1.510) 1.792 10.635 ( 0.000 0.966 -1.510) 1.792 10.852 ( 0.000 -1.016 1.350) 1.689 10.852 ( 0.000 1.016 1.350) 1.689 10.904 ( 0.000 -2.659 -0.068) 2.660 10.904 ( 0.000 2.659 -0.068) 2.660 10.978 ( 0.000 -5.152 0.063) 5.152 10.978 ( 0.000 5.152 0.063) 5.152 10.986 ( 0.000 -3.107 -0.309) 3.123 10.986 ( 0.000 3.107 -0.309) 3.123 11.278 ( 0.000 -2.142 0.592) 2.223 11.278 ( 0.000 2.142 0.592) 2.223 11.329 ( 0.000 -1.602 -1.405) 2.131 11.329 ( 0.000 1.602 -1.405) 2.131 11.428 ( 0.000 -6.070 2.767) 6.671 11.428 ( 0.000 6.070 2.767) 6.671 11.672 ( 0.000 -2.556 -7.963) 8.364 11.672 ( 0.000 2.556 -7.963) 8.364 ======================= Grid point 37 (17/27) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 4.003 -16.400 11.541) 20.449 1.118 ( 4.003 16.400 11.541) 20.449 1.258 ( 8.080 -16.705 11.759) 21.969 1.258 ( 8.080 16.705 11.759) 21.969 1.537 ( -6.854 -0.688 -1.142) 6.983 1.537 ( -6.854 0.688 -1.142) 6.983 1.755 ( -1.612 -8.043 -4.718) 9.463 1.755 ( -1.612 8.043 -4.718) 9.463 1.800 ( 1.701 -5.939 4.916) 7.895 1.800 ( 1.701 5.939 4.916) 7.895 1.887 ( 2.320 -3.069 -6.439) 7.500 1.887 ( 2.320 3.069 -6.439) 7.500 1.920 ( -3.368 -0.577 -4.046) 5.296 1.920 ( -3.368 0.577 -4.046) 5.296 2.006 ( 1.354 -4.143 1.426) 4.586 2.006 ( 1.354 4.143 1.426) 4.586 2.063 ( 0.255 -2.062 1.650) 2.653 2.063 ( 0.255 2.062 1.650) 2.653 2.145 ( -0.377 -2.708 0.389) 2.762 2.145 ( -0.377 2.708 0.389) 2.762 2.176 ( 2.655 -0.085 0.841) 2.786 2.176 ( 2.655 0.085 0.841) 2.786 2.287 ( 1.481 -2.523 0.402) 2.953 2.287 ( 1.481 2.523 0.402) 2.953 2.310 ( 2.675 -4.229 -0.985) 5.100 2.310 ( 2.675 4.229 -0.985) 5.100 2.409 ( 1.293 -0.464 1.263) 1.866 2.409 ( 1.293 0.464 1.263) 1.866 2.458 ( 1.455 -1.111 1.659) 2.470 2.458 ( 1.455 1.111 1.659) 2.470 2.514 ( 2.170 -1.364 1.922) 3.204 2.514 ( 2.170 1.364 1.922) 3.204 2.550 ( 0.219 -3.550 0.292) 3.568 2.550 ( 0.219 3.550 0.292) 3.568 2.578 ( 1.831 -3.021 4.537) 5.750 2.578 ( 1.831 3.021 4.537) 5.750 2.660 ( 1.428 -1.033 3.686) 4.086 2.660 ( 1.428 1.033 3.686) 4.086 2.712 ( -1.212 -2.156 2.786) 3.725 2.712 ( -1.212 2.156 2.786) 3.725 2.762 ( 3.232 -0.692 -1.046) 3.467 2.762 ( 3.232 0.692 -1.046) 3.467 2.808 ( -0.435 -0.597 -0.581) 0.940 2.808 ( -0.435 0.597 -0.581) 0.940 2.843 ( 1.463 -0.702 1.003) 1.907 2.843 ( 1.463 0.702 1.003) 1.907 2.880 ( 0.409 -1.496 0.764) 1.729 2.880 ( 0.409 1.496 0.764) 1.729 2.946 ( 3.142 -1.723 1.894) 4.053 2.946 ( 3.142 1.723 1.894) 4.053 2.995 ( -1.013 -1.930 -4.454) 4.959 2.995 ( -1.013 1.930 -4.454) 4.959 3.020 ( 0.524 -2.115 -4.852) 5.319 3.020 ( 0.524 2.115 -4.852) 5.319 3.061 ( 0.339 -2.232 -1.657) 2.801 3.061 ( 0.339 2.232 -1.657) 2.801 3.108 ( 0.019 -2.323 1.057) 2.552 3.108 ( 0.019 2.323 1.057) 2.552 3.207 ( 0.280 -3.194 -4.082) 5.190 3.207 ( 0.280 3.194 -4.082) 5.190 3.273 ( 1.668 -5.060 -2.857) 6.045 3.273 ( 1.668 5.060 -2.857) 6.045 3.324 ( -0.333 -4.530 -4.101) 6.120 3.324 ( -0.333 4.530 -4.101) 6.120 3.486 ( 0.274 -1.303 -3.562) 3.803 3.486 ( 0.274 1.303 -3.562) 3.803 3.519 ( 0.676 -0.879 -1.876) 2.179 3.519 ( 0.676 0.879 -1.876) 2.179 3.559 ( 2.312 -0.747 -2.830) 3.730 3.559 ( 2.312 0.747 -2.830) 3.730 3.702 ( -4.924 -2.244 -1.391) 5.587 3.702 ( -4.924 2.244 -1.391) 5.587 3.767 ( -3.489 -1.546 -0.725) 3.885 3.767 ( -3.489 1.546 -0.725) 3.885 3.826 ( -2.134 -2.106 1.036) 3.172 3.826 ( -2.134 2.106 1.036) 3.172 3.874 ( -2.081 -2.054 -1.001) 3.090 3.874 ( -2.081 2.054 -1.001) 3.090 3.949 ( -0.153 -2.754 -0.511) 2.806 3.949 ( -0.153 2.754 -0.511) 2.806 4.012 ( 1.651 -1.772 3.925) 4.612 4.012 ( 1.651 1.772 3.925) 4.612 4.063 ( 3.265 -1.519 3.159) 4.790 4.063 ( 3.265 1.519 3.159) 4.790 4.184 ( -2.287 -1.491 2.530) 3.722 4.184 ( -2.287 1.491 2.530) 3.722 4.273 ( -3.360 -2.338 1.450) 4.343 4.273 ( -3.360 2.338 1.450) 4.343 4.320 ( -1.170 -0.562 4.333) 4.524 4.320 ( -1.170 0.562 4.333) 4.524 4.389 ( 2.221 -2.421 4.998) 5.982 4.389 ( 2.221 2.421 4.998) 5.982 4.456 ( -3.594 -1.432 -0.200) 3.874 4.456 ( -3.594 1.432 -0.200) 3.874 4.545 ( -0.598 -2.952 -5.225) 6.031 4.545 ( -0.598 2.952 -5.225) 6.031 4.575 ( -1.319 -1.151 -0.455) 1.809 4.575 ( -1.319 1.151 -0.455) 1.809 4.613 ( -1.965 -1.308 -2.174) 3.209 4.613 ( -1.965 1.308 -2.174) 3.209 4.654 ( -2.478 -0.880 -3.251) 4.181 4.654 ( -2.478 0.880 -3.251) 4.181 4.789 ( -1.259 -3.189 1.214) 3.637 4.789 ( -1.259 3.189 1.214) 3.637 4.815 ( -3.560 -3.131 -3.592) 5.948 4.815 ( -3.560 3.131 -3.592) 5.948 4.909 ( -0.662 -1.293 -1.141) 1.847 4.909 ( -0.662 1.293 -1.141) 1.847 5.096 ( 1.988 -1.746 0.708) 2.739 5.096 ( 1.988 1.746 0.708) 2.739 5.160 ( -0.117 -1.227 -5.164) 5.310 5.160 ( -0.117 1.227 -5.164) 5.310 5.262 ( -3.376 -1.998 3.417) 5.203 5.262 ( -3.376 1.998 3.417) 5.203 5.403 ( -0.079 -0.910 -0.511) 1.047 5.403 ( -0.079 0.910 -0.511) 1.047 5.524 ( -1.921 -1.362 2.159) 3.195 5.524 ( -1.921 1.362 2.159) 3.195 5.564 ( 0.963 -0.598 -2.989) 3.197 5.564 ( 0.963 0.598 -2.989) 3.197 5.683 ( -2.415 -1.183 4.897) 5.587 5.683 ( -2.415 1.183 4.897) 5.587 5.719 ( -0.724 -1.468 2.225) 2.762 5.719 ( -0.724 1.468 2.225) 2.762 5.797 ( 1.524 -1.657 1.951) 2.979 5.797 ( 1.524 1.657 1.951) 2.979 5.921 ( -0.970 -1.450 0.200) 1.756 5.921 ( -0.970 1.450 0.200) 1.756 5.982 ( 2.432 -2.311 0.282) 3.367 5.982 ( 2.432 2.311 0.282) 3.367 6.054 ( -3.095 -1.452 -1.697) 3.817 6.054 ( -3.095 1.452 -1.697) 3.817 6.132 ( -4.017 -0.754 2.910) 5.017 6.132 ( -4.017 0.754 2.910) 5.017 6.287 ( -6.552 -2.962 -2.817) 7.723 6.287 ( -6.552 2.962 -2.817) 7.723 6.526 ( 2.692 -1.363 1.849) 3.539 6.526 ( 2.692 1.363 1.849) 3.539 6.564 ( 3.767 -2.579 0.605) 4.605 6.564 ( 3.767 2.579 0.605) 4.605 6.659 ( 1.773 -1.098 -0.170) 2.092 6.659 ( 1.773 1.098 -0.170) 2.092 6.671 ( 2.595 -3.608 -0.386) 4.461 6.671 ( 2.595 3.608 -0.386) 4.461 7.384 ( 2.881 -2.534 0.070) 3.837 7.384 ( 2.881 2.534 0.070) 3.837 7.394 ( 2.767 -2.339 -0.028) 3.624 7.394 ( 2.767 2.339 -0.028) 3.624 7.441 ( 2.266 -0.842 0.931) 2.590 7.441 ( 2.266 0.842 0.931) 2.590 7.487 ( 1.154 -0.432 -0.815) 1.477 7.487 ( 1.154 0.432 -0.815) 1.477 8.627 ( 0.142 -0.100 1.918) 1.925 8.627 ( 0.142 0.100 1.918) 1.925 8.663 ( -0.548 -0.481 0.947) 1.195 8.663 ( -0.548 0.481 0.947) 1.195 8.687 ( -0.627 -0.421 0.077) 0.759 8.687 ( -0.627 0.421 0.077) 0.759 8.695 ( -0.814 -0.235 -0.421) 0.946 8.695 ( -0.814 0.235 -0.421) 0.946 8.750 ( 1.307 -0.428 0.815) 1.598 8.750 ( 1.307 0.428 0.815) 1.598 8.788 ( 0.732 -1.198 1.760) 2.251 8.788 ( 0.732 1.198 1.760) 2.251 8.878 ( 1.538 -0.614 1.862) 2.492 8.878 ( 1.538 0.614 1.862) 2.492 8.949 ( 0.969 -0.383 1.592) 1.903 8.949 ( 0.969 0.383 1.592) 1.903 9.005 ( 2.098 -0.224 3.525) 4.108 9.005 ( 2.098 0.224 3.525) 4.108 9.031 ( 1.926 -2.170 1.435) 3.237 9.031 ( 1.926 2.170 1.435) 3.237 9.173 ( 3.637 -1.935 -3.451) 5.374 9.173 ( 3.637 1.935 -3.451) 5.374 9.432 ( 0.693 -0.829 -10.086) 10.144 9.432 ( 0.693 0.829 -10.086) 10.144 9.528 ( -1.719 -2.149 4.941) 5.655 9.528 ( -1.719 2.149 4.941) 5.655 9.690 ( -2.813 -2.463 0.584) 3.785 9.690 ( -2.813 2.463 0.584) 3.785 9.792 ( -0.869 -1.390 -1.418) 2.168 9.792 ( -0.869 1.390 -1.418) 2.168 9.870 ( -1.821 -1.598 -0.718) 2.527 9.870 ( -1.821 1.598 -0.718) 2.527 9.955 ( 1.564 -3.579 2.089) 4.429 9.955 ( 1.564 3.579 2.089) 4.429 10.071 ( 1.584 -2.669 -0.420) 3.132 10.071 ( 1.584 2.669 -0.420) 3.132 10.301 ( 0.249 -1.713 0.041) 1.731 10.301 ( 0.249 1.713 0.041) 1.731 10.337 ( -1.089 -1.375 -0.473) 1.817 10.337 ( -1.089 1.375 -0.473) 1.817 10.452 ( -1.512 -0.910 0.319) 1.793 10.452 ( -1.512 0.910 0.319) 1.793 10.474 ( -0.730 -1.064 0.401) 1.351 10.474 ( -0.730 1.064 0.401) 1.351 10.555 ( 1.488 -2.438 1.271) 3.126 10.555 ( 1.488 2.438 1.271) 3.126 10.640 ( -0.010 -2.913 -1.924) 3.492 10.640 ( -0.010 2.913 -1.924) 3.492 10.870 ( 1.646 -3.905 1.253) 4.419 10.870 ( 1.646 3.905 1.253) 4.419 10.915 ( 1.052 -2.713 -0.386) 2.935 10.915 ( 1.052 2.713 -0.386) 2.935 10.968 ( -0.595 -2.901 0.896) 3.094 10.968 ( -0.595 2.901 0.896) 3.094 10.995 ( 0.449 -3.577 -0.435) 3.631 10.995 ( 0.449 3.577 -0.435) 3.631 11.299 ( 2.070 -3.204 0.268) 3.824 11.299 ( 2.070 3.204 0.268) 3.824 11.340 ( 1.325 -2.204 -1.395) 2.926 11.340 ( 1.325 2.204 -1.395) 2.926 11.416 ( -1.135 -5.196 2.417) 5.842 11.416 ( -1.135 5.196 2.417) 5.842 11.622 ( -5.047 -3.485 -6.471) 8.915 11.622 ( -5.047 3.485 -6.471) 8.915 ======================= Grid point 39 (18/27) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 7.481 -13.896 8.517) 17.933 1.222 ( 7.481 13.896 8.517) 17.933 1.375 ( -8.090 -7.974 5.608) 12.668 1.375 ( -8.090 7.974 5.608) 12.668 1.471 ( 12.549 -11.169 7.089) 18.234 1.471 ( 12.549 11.169 7.089) 18.234 1.716 ( -11.867 -6.172 5.136) 14.328 1.716 ( -11.867 6.172 5.136) 14.328 1.753 ( 1.797 -5.419 -8.536) 10.269 1.753 ( 1.797 5.419 -8.536) 10.269 1.813 ( -4.854 -2.424 -7.845) 9.538 1.813 ( -4.854 2.424 -7.845) 9.538 1.959 ( 4.527 -6.071 -8.212) 11.170 1.959 ( 4.527 6.071 -8.212) 11.170 2.009 ( -0.119 -3.458 -0.158) 3.463 2.009 ( -0.119 3.458 -0.158) 3.463 2.088 ( 0.064 -1.555 -1.720) 2.320 2.088 ( 0.064 1.555 -1.720) 2.320 2.123 ( -2.853 -4.261 0.911) 5.208 2.123 ( -2.853 4.261 0.911) 5.208 2.258 ( 5.708 -3.705 4.392) 8.099 2.258 ( 5.708 3.705 4.392) 8.099 2.313 ( -0.415 -2.781 0.609) 2.877 2.313 ( -0.415 2.781 0.609) 2.877 2.371 ( 5.209 -1.720 2.720) 6.123 2.371 ( 5.209 1.720 2.720) 6.123 2.431 ( -0.110 -2.059 3.434) 4.005 2.431 ( -0.110 2.059 3.434) 4.005 2.495 ( 1.681 -0.214 2.203) 2.780 2.495 ( 1.681 0.214 2.203) 2.780 2.529 ( -2.100 -3.332 1.986) 4.411 2.529 ( -2.100 3.332 1.986) 4.411 2.583 ( 4.283 -0.473 -0.124) 4.311 2.583 ( 4.283 0.473 -0.124) 4.311 2.626 ( 0.612 -0.708 3.750) 3.865 2.626 ( 0.612 0.708 3.750) 3.865 2.681 ( 2.094 -3.842 3.056) 5.337 2.681 ( 2.094 3.842 3.056) 5.337 2.699 ( 1.108 -1.925 3.067) 3.787 2.699 ( 1.108 1.925 3.067) 3.787 2.771 ( -0.174 -2.993 -1.061) 3.180 2.771 ( -0.174 2.993 -1.061) 3.180 2.838 ( -3.816 -2.147 1.151) 4.527 2.838 ( -3.816 2.147 1.151) 4.527 2.852 ( 3.908 -0.810 0.331) 4.005 2.852 ( 3.908 0.810 0.331) 4.005 2.901 ( 1.044 -0.685 -2.381) 2.689 2.901 ( 1.044 0.685 -2.381) 2.689 2.962 ( 0.230 -2.415 0.540) 2.486 2.962 ( 0.230 2.415 0.540) 2.486 2.991 ( -0.266 -3.255 -2.266) 3.975 2.991 ( -0.266 3.255 -2.266) 3.975 3.030 ( -0.038 -0.794 -1.497) 1.695 3.030 ( -0.038 0.794 -1.497) 1.695 3.050 ( -1.699 -0.851 -0.563) 1.982 3.050 ( -1.699 0.851 -0.563) 1.982 3.115 ( 2.014 -2.201 1.607) 3.388 3.115 ( 2.014 2.201 1.607) 3.388 3.181 ( -5.124 -4.105 2.234) 6.935 3.181 ( -5.124 4.105 2.234) 6.935 3.283 ( 4.646 -3.366 -3.081) 6.512 3.283 ( 4.646 3.366 -3.081) 6.512 3.366 ( -1.312 -4.870 -3.945) 6.403 3.366 ( -1.312 4.870 -3.945) 6.403 3.480 ( -1.150 -2.703 -1.948) 3.525 3.480 ( -1.150 2.703 -1.948) 3.525 3.498 ( -3.363 -3.772 2.430) 5.608 3.498 ( -3.363 3.772 2.430) 5.608 3.577 ( 7.358 -2.455 -1.912) 7.989 3.577 ( 7.358 2.455 -1.912) 7.989 3.726 ( -0.186 -0.633 -4.515) 4.563 3.726 ( -0.186 0.633 -4.515) 4.563 3.751 ( -0.658 -1.015 -4.151) 4.324 3.751 ( -0.658 1.015 -4.151) 4.324 3.777 ( -0.570 -1.895 -3.724) 4.217 3.777 ( -0.570 1.895 -3.724) 4.217 3.843 ( 2.066 -2.211 -2.609) 3.996 3.843 ( 2.066 2.211 -2.609) 3.996 3.933 ( -2.708 -2.976 -2.347) 4.658 3.933 ( -2.708 2.976 -2.347) 4.658 4.060 ( 2.657 -0.871 3.497) 4.477 4.060 ( 2.657 0.871 3.497) 4.477 4.101 ( -0.913 -2.299 0.975) 2.659 4.101 ( -0.913 2.299 0.975) 2.659 4.127 ( -0.544 -0.821 2.846) 3.012 4.127 ( -0.544 0.821 2.846) 3.012 4.178 ( -5.892 -2.834 1.339) 6.674 4.178 ( -5.892 2.834 1.339) 6.674 4.290 ( -0.553 -0.956 6.598) 6.690 4.290 ( -0.553 0.956 6.598) 6.690 4.334 ( -6.148 -1.630 2.470) 6.823 4.334 ( -6.148 1.630 2.470) 6.823 4.463 ( 3.961 -2.293 2.332) 5.137 4.463 ( 3.961 2.293 2.332) 5.137 4.529 ( -2.804 -0.944 0.670) 3.034 4.529 ( -2.804 0.944 0.670) 3.034 4.559 ( 0.717 -2.845 -1.412) 3.256 4.559 ( 0.717 2.845 -1.412) 3.256 4.596 ( -2.056 -2.757 -3.066) 4.607 4.596 ( -2.056 2.757 -3.066) 4.607 4.639 ( 3.128 -0.590 -3.097) 4.441 4.639 ( 3.128 0.590 -3.097) 4.441 4.723 ( -5.156 -2.111 -1.115) 5.682 4.723 ( -5.156 2.111 -1.115) 5.682 4.811 ( 2.690 -3.021 -3.881) 5.605 4.811 ( 2.690 3.021 -3.881) 5.605 4.873 ( -3.262 -1.894 -2.457) 4.502 4.873 ( -3.262 1.894 -2.457) 4.502 5.123 ( 1.054 -1.961 -0.839) 2.379 5.123 ( 1.054 1.961 -0.839) 2.379 5.145 ( -1.467 -1.524 -3.603) 4.178 5.145 ( -1.467 1.524 -3.603) 4.178 5.262 ( 3.425 -1.793 4.353) 5.822 5.262 ( 3.425 1.793 4.353) 5.822 5.347 ( -5.040 -1.294 2.091) 5.608 5.347 ( -5.040 1.294 2.091) 5.608 5.523 ( 1.714 -1.184 2.317) 3.116 5.523 ( 1.714 1.184 2.317) 3.116 5.563 ( -1.943 -1.479 -0.209) 2.451 5.563 ( -1.943 1.479 -0.209) 2.451 5.660 ( 1.457 -0.690 2.182) 2.713 5.660 ( 1.457 0.690 2.182) 2.713 5.701 ( -2.042 -0.699 0.867) 2.326 5.701 ( -2.042 0.699 0.867) 2.326 5.847 ( 3.374 -0.561 -0.282) 3.432 5.847 ( 3.374 0.561 -0.282) 3.432 5.898 ( -1.970 -0.901 -0.919) 2.353 5.898 ( -1.970 0.901 -0.919) 2.353 5.998 ( 0.430 -0.325 1.122) 1.245 5.998 ( 0.430 0.325 1.122) 1.245 6.042 ( -1.735 -1.120 1.470) 2.535 6.042 ( -1.735 1.120 1.470) 2.535 6.077 ( 1.677 -0.818 -0.732) 2.005 6.077 ( 1.677 0.818 -0.732) 2.005 6.164 ( -6.269 -0.309 -2.010) 6.591 6.164 ( -6.269 0.309 -2.010) 6.591 6.582 ( 3.025 -2.168 1.469) 4.001 6.582 ( 3.025 2.168 1.469) 4.001 6.609 ( 0.637 -2.343 0.716) 2.531 6.609 ( 0.637 2.343 0.716) 2.531 6.684 ( 0.831 -0.609 -0.256) 1.061 6.684 ( 0.831 0.609 -0.256) 1.061 6.692 ( -0.016 -2.368 -0.390) 2.400 6.692 ( -0.016 2.368 -0.390) 2.400 7.431 ( 1.811 -1.251 0.264) 2.217 7.431 ( 1.811 1.251 0.264) 2.217 7.437 ( 1.318 -1.984 0.163) 2.388 7.437 ( 1.318 1.984 0.163) 2.388 7.481 ( 1.835 -0.263 0.080) 1.855 7.481 ( 1.835 0.263 0.080) 1.855 7.500 ( -0.085 -1.191 -0.565) 1.321 7.500 ( -0.085 1.191 -0.565) 1.321 8.632 ( 0.485 -0.232 1.752) 1.833 8.632 ( 0.485 0.232 1.752) 1.833 8.646 ( -1.026 -0.455 1.525) 1.893 8.646 ( -1.026 0.455 1.525) 1.893 8.679 ( -0.106 -0.296 -0.000) 0.314 8.679 ( -0.106 0.296 -0.000) 0.314 8.683 ( -0.495 -0.204 -0.205) 0.573 8.683 ( -0.495 0.204 -0.205) 0.573 8.776 ( 1.359 -0.706 0.677) 1.674 8.776 ( 1.359 0.706 0.677) 1.674 8.792 ( -0.351 -1.001 0.615) 1.226 8.792 ( -0.351 1.001 0.615) 1.226 8.912 ( 2.023 -0.148 2.932) 3.565 8.912 ( 2.023 0.148 2.932) 3.565 8.943 ( -1.213 -0.241 3.278) 3.504 8.943 ( -1.213 0.241 3.278) 3.504 9.041 ( 1.571 -0.114 1.332) 2.063 9.041 ( 1.571 0.114 1.332) 2.063 9.056 ( 0.198 -0.728 1.403) 1.594 9.056 ( 0.198 0.728 1.403) 1.594 9.280 ( 7.169 -3.931 -4.404) 9.287 9.280 ( 7.169 3.931 -4.404) 9.287 9.395 ( -5.011 -3.512 -5.254) 8.065 9.395 ( -5.011 3.512 -5.254) 8.065 9.542 ( 3.465 -1.450 -2.566) 4.549 9.542 ( 3.465 1.450 -2.566) 4.549 9.620 ( -4.571 -2.104 -2.628) 5.677 9.620 ( -4.571 2.104 -2.628) 5.677 9.794 ( 1.061 -0.853 -0.090) 1.365 9.794 ( 1.061 0.853 -0.090) 1.365 9.827 ( -2.427 -0.935 0.013) 2.601 9.827 ( -2.427 0.935 0.013) 2.601 10.009 ( 3.821 -3.596 3.183) 6.137 10.009 ( 3.821 3.596 3.183) 6.137 10.070 ( -2.122 -2.524 2.092) 3.905 10.070 ( -2.122 2.524 2.092) 3.905 10.301 ( 0.180 -1.466 -0.727) 1.646 10.301 ( 0.180 1.466 -0.727) 1.646 10.315 ( -1.170 -0.127 -0.868) 1.463 10.315 ( -1.170 0.127 -0.868) 1.463 10.443 ( 0.666 -1.565 1.154) 2.056 10.443 ( 0.666 1.565 1.154) 2.056 10.462 ( -1.031 -1.645 0.902) 2.141 10.462 ( -1.031 1.645 0.902) 2.141 10.588 ( 2.164 -3.442 -0.120) 4.068 10.588 ( 2.164 3.442 -0.120) 4.068 10.625 ( -1.671 -3.838 -1.422) 4.421 10.625 ( -1.671 3.838 -1.422) 4.421 10.899 ( 1.478 -4.351 0.906) 4.684 10.899 ( 1.478 4.351 0.906) 4.684 10.921 ( -0.749 -1.416 -0.018) 1.602 10.921 ( -0.749 1.416 -0.018) 1.602 10.975 ( 1.365 -1.846 0.885) 2.460 10.975 ( 1.365 1.846 0.885) 2.460 10.995 ( -0.589 -3.478 0.018) 3.528 10.995 ( -0.589 3.478 0.018) 3.528 11.337 ( 1.899 -3.224 0.197) 3.747 11.337 ( 1.899 3.224 0.197) 3.747 11.364 ( -0.441 -2.589 -0.152) 2.630 11.364 ( -0.441 2.589 -0.152) 2.630 11.418 ( 3.346 -1.273 -0.503) 3.616 11.418 ( 3.346 1.273 -0.503) 3.616 11.515 ( -6.311 -3.955 -3.732) 8.330 11.515 ( -6.311 3.955 -3.732) 8.330 ======================= Grid point 50 (19/27) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.000 0.000 -22.364) 22.364 0.980 ( 0.000 0.000 22.364) 22.364 1.135 ( 0.000 0.000 -23.744) 23.744 1.135 ( 0.000 0.000 23.744) 23.744 1.762 ( 0.000 0.000 -1.975) 1.975 1.762 ( 0.000 0.000 1.975) 1.975 1.803 ( 0.000 0.000 -7.690) 7.690 1.803 ( 0.000 0.000 7.690) 7.690 1.877 ( 0.000 0.000 -15.796) 15.796 1.877 ( 0.000 0.000 15.797) 15.797 1.892 ( 0.000 0.000 -1.793) 1.793 1.892 ( 0.000 0.000 1.793) 1.793 1.966 ( 0.000 0.000 -16.478) 16.478 1.966 ( 0.000 0.000 16.478) 16.478 2.048 ( 0.000 0.000 -4.957) 4.957 2.048 ( 0.000 0.000 4.957) 4.957 2.085 ( 0.000 0.000 -7.326) 7.326 2.085 ( 0.000 0.000 7.326) 7.326 2.162 ( 0.000 0.000 -2.636) 2.636 2.162 ( 0.000 0.000 2.636) 2.636 2.190 ( 0.000 0.000 -2.076) 2.076 2.190 ( 0.000 0.000 2.076) 2.076 2.212 ( 0.000 0.000 -0.849) 0.849 2.212 ( 0.000 0.000 0.849) 0.849 2.359 ( 0.000 0.000 -0.825) 0.825 2.359 ( 0.000 0.000 0.825) 0.825 2.387 ( 0.000 0.000 -0.036) 0.036 2.387 ( 0.000 0.000 0.036) 0.036 2.399 ( 0.000 0.000 -3.534) 3.534 2.399 ( 0.000 0.000 3.534) 3.534 2.534 ( 0.000 0.000 -4.402) 4.402 2.534 ( 0.000 0.000 4.402) 4.402 2.541 ( 0.000 0.000 -4.100) 4.100 2.541 ( 0.000 0.000 4.100) 4.100 2.620 ( 0.000 0.000 -0.661) 0.661 2.620 ( 0.000 0.000 0.661) 0.661 2.649 ( 0.000 0.000 -3.601) 3.601 2.649 ( 0.000 0.000 3.601) 3.601 2.721 ( 0.000 0.000 -3.784) 3.784 2.721 ( 0.000 0.000 3.784) 3.784 2.724 ( 0.000 0.000 -1.734) 1.734 2.724 ( 0.000 0.000 1.734) 1.734 2.829 ( 0.000 0.000 -4.554) 4.554 2.829 ( 0.000 0.000 4.554) 4.554 2.854 ( 0.000 0.000 -4.006) 4.006 2.854 ( 0.000 0.000 4.006) 4.006 2.876 ( 0.000 0.000 -5.038) 5.038 2.876 ( 0.000 0.000 5.038) 5.038 2.935 ( 0.000 0.000 -5.164) 5.164 2.935 ( 0.000 0.000 5.164) 5.164 2.938 ( 0.000 0.000 -3.339) 3.339 2.938 ( 0.000 0.000 3.339) 3.339 3.019 ( 0.000 0.000 -1.403) 1.403 3.019 ( 0.000 0.000 1.403) 1.403 3.023 ( 0.000 0.000 -6.125) 6.125 3.023 ( 0.000 0.000 6.125) 6.125 3.090 ( 0.000 0.000 -1.585) 1.585 3.090 ( 0.000 0.000 1.585) 1.585 3.162 ( 0.000 0.000 -1.726) 1.726 3.162 ( 0.000 0.000 1.726) 1.726 3.207 ( 0.000 0.000 -9.854) 9.854 3.207 ( 0.000 0.000 9.854) 9.854 3.357 ( 0.000 0.000 -1.115) 1.115 3.357 ( 0.000 0.000 1.115) 1.115 3.402 ( 0.000 0.000 -4.737) 4.737 3.402 ( 0.000 0.000 4.737) 4.737 3.438 ( 0.000 0.000 -4.449) 4.449 3.438 ( 0.000 0.000 4.449) 4.449 3.606 ( 0.000 0.000 -2.514) 2.514 3.606 ( 0.000 0.000 2.514) 2.514 3.760 ( 0.000 0.000 -2.835) 2.835 3.760 ( 0.000 0.000 2.835) 2.835 3.761 ( 0.000 0.000 -2.038) 2.038 3.761 ( 0.000 0.000 2.038) 2.038 3.843 ( 0.000 0.000 -1.413) 1.413 3.843 ( 0.000 0.000 1.413) 1.413 3.852 ( 0.000 0.000 -3.856) 3.856 3.852 ( 0.000 0.000 3.856) 3.856 3.892 ( 0.000 0.000 -2.186) 2.186 3.892 ( 0.000 0.000 2.186) 2.186 3.960 ( 0.000 0.000 -3.438) 3.438 3.960 ( 0.000 0.000 3.438) 3.438 4.157 ( 0.000 0.000 -4.132) 4.132 4.157 ( 0.000 0.000 4.132) 4.132 4.192 ( 0.000 0.000 -3.686) 3.686 4.192 ( 0.000 0.000 3.686) 3.686 4.196 ( 0.000 0.000 -5.700) 5.700 4.196 ( 0.000 0.000 5.700) 5.700 4.409 ( 0.000 0.000 -2.526) 2.526 4.409 ( 0.000 0.000 2.526) 2.526 4.443 ( 0.000 0.000 -4.238) 4.238 4.443 ( 0.000 0.000 4.238) 4.238 4.484 ( 0.000 0.000 -3.057) 3.057 4.484 ( 0.000 0.000 3.057) 3.057 4.537 ( 0.000 0.000 -4.843) 4.843 4.537 ( 0.000 0.000 4.843) 4.843 4.568 ( 0.000 0.000 -5.906) 5.906 4.568 ( 0.000 0.000 5.906) 5.906 4.611 ( 0.000 0.000 -4.234) 4.234 4.611 ( 0.000 0.000 4.234) 4.234 4.701 ( 0.000 0.000 -0.027) 0.027 4.701 ( 0.000 0.000 0.027) 0.027 4.728 ( 0.000 0.000 -8.907) 8.907 4.728 ( 0.000 0.000 8.907) 8.907 4.823 ( 0.000 0.000 -2.719) 2.719 4.823 ( 0.000 0.000 2.719) 2.719 4.921 ( 0.000 0.000 -1.633) 1.633 4.921 ( 0.000 0.000 1.633) 1.633 5.093 ( 0.000 0.000 -1.894) 1.894 5.093 ( 0.000 0.000 1.894) 1.894 5.131 ( 0.000 0.000 -1.228) 1.228 5.131 ( 0.000 0.000 1.228) 1.228 5.271 ( 0.000 0.000 -4.680) 4.680 5.271 ( 0.000 0.000 4.680) 4.680 5.397 ( 0.000 0.000 -1.028) 1.028 5.397 ( 0.000 0.000 1.028) 1.028 5.512 ( 0.000 0.000 -3.563) 3.563 5.512 ( 0.000 0.000 3.563) 3.563 5.554 ( 0.000 0.000 -1.970) 1.970 5.554 ( 0.000 0.000 1.970) 1.970 5.682 ( 0.000 0.000 -3.112) 3.112 5.682 ( 0.000 0.000 3.112) 3.112 5.757 ( 0.000 0.000 -1.536) 1.536 5.757 ( 0.000 0.000 1.536) 1.536 5.834 ( 0.000 0.000 -1.194) 1.194 5.834 ( 0.000 0.000 1.194) 1.194 5.959 ( 0.000 0.000 -3.213) 3.213 5.959 ( 0.000 0.000 3.213) 3.213 6.006 ( 0.000 0.000 -2.177) 2.177 6.006 ( 0.000 0.000 2.177) 2.177 6.086 ( 0.000 0.000 -3.096) 3.096 6.086 ( 0.000 0.000 3.096) 3.096 6.199 ( 0.000 0.000 -1.300) 1.300 6.199 ( 0.000 0.000 1.300) 1.300 6.408 ( 0.000 0.000 -3.446) 3.446 6.408 ( 0.000 0.000 3.446) 3.446 6.503 ( 0.000 0.000 -2.499) 2.499 6.503 ( 0.000 0.000 2.499) 2.499 6.527 ( 0.000 0.000 -2.554) 2.554 6.527 ( 0.000 0.000 2.554) 2.554 6.611 ( 0.000 0.000 -1.168) 1.168 6.611 ( 0.000 0.000 1.168) 1.168 6.744 ( 0.000 0.000 -1.616) 1.616 6.744 ( 0.000 0.000 1.616) 1.616 7.307 ( 0.000 0.000 -0.926) 0.926 7.307 ( 0.000 0.000 0.926) 0.926 7.396 ( 0.000 0.000 -0.675) 0.675 7.396 ( 0.000 0.000 0.675) 0.675 7.454 ( 0.000 0.000 -0.173) 0.173 7.454 ( 0.000 0.000 0.173) 0.173 7.457 ( 0.000 0.000 -1.706) 1.706 7.457 ( 0.000 0.000 1.706) 1.706 8.654 ( 0.000 0.000 -0.084) 0.084 8.654 ( 0.000 0.000 0.084) 0.084 8.686 ( 0.000 0.000 -1.191) 1.191 8.686 ( 0.000 0.000 1.191) 1.191 8.703 ( 0.000 0.000 -0.366) 0.366 8.703 ( 0.000 0.000 0.366) 0.366 8.715 ( 0.000 0.000 -1.745) 1.745 8.715 ( 0.000 0.000 1.745) 1.745 8.726 ( 0.000 0.000 -0.058) 0.058 8.726 ( 0.000 0.000 0.058) 0.058 8.765 ( 0.000 0.000 -1.647) 1.647 8.765 ( 0.000 0.000 1.647) 1.647 8.900 ( 0.000 0.000 -3.085) 3.085 8.900 ( 0.000 0.000 3.085) 3.085 8.930 ( 0.000 0.000 -0.083) 0.083 8.930 ( 0.000 0.000 0.083) 0.083 8.999 ( 0.000 0.000 -3.391) 3.391 8.999 ( 0.000 0.000 3.391) 3.391 9.135 ( 0.000 0.000 -5.209) 5.209 9.135 ( 0.000 0.000 5.209) 5.209 9.163 ( 0.000 0.000 -11.042) 11.042 9.163 ( 0.000 0.000 11.042) 11.042 9.235 ( 0.000 0.000 -4.704) 4.704 9.235 ( 0.000 0.000 4.704) 4.704 9.617 ( 0.000 0.000 -6.527) 6.527 9.617 ( 0.000 0.000 6.527) 6.527 9.806 ( 0.000 0.000 -5.328) 5.328 9.806 ( 0.000 0.000 5.328) 5.328 9.815 ( 0.000 0.000 -3.149) 3.149 9.815 ( 0.000 0.000 3.149) 3.149 9.924 ( 0.000 0.000 -0.378) 0.378 9.924 ( 0.000 0.000 0.378) 0.378 9.987 ( 0.000 0.000 -1.073) 1.073 9.987 ( 0.000 0.000 1.073) 1.073 10.087 ( 0.000 0.000 -0.014) 0.014 10.087 ( 0.000 0.000 0.014) 0.014 10.332 ( 0.000 0.000 -0.578) 0.578 10.332 ( 0.000 0.000 0.578) 0.578 10.353 ( 0.000 0.000 -2.584) 2.584 10.353 ( 0.000 0.000 2.584) 2.584 10.435 ( 0.000 0.000 -0.977) 0.977 10.435 ( 0.000 0.000 0.977) 0.977 10.450 ( 0.000 0.000 -0.752) 0.752 10.450 ( 0.000 0.000 0.752) 0.752 10.512 ( 0.000 0.000 -3.415) 3.415 10.512 ( 0.000 0.000 3.415) 3.415 10.630 ( 0.000 0.000 -2.082) 2.082 10.630 ( 0.000 0.000 2.082) 2.082 10.777 ( 0.000 0.000 -0.372) 0.372 10.777 ( 0.000 0.000 0.372) 0.372 10.915 ( 0.000 0.000 -0.306) 0.306 10.915 ( 0.000 0.000 0.306) 0.306 11.012 ( 0.000 0.000 -2.621) 2.621 11.012 ( 0.000 0.000 2.621) 2.621 11.074 ( 0.000 0.000 -0.949) 0.949 11.074 ( 0.000 0.000 0.949) 0.949 11.183 ( 0.000 0.000 -0.011) 0.011 11.183 ( 0.000 0.000 0.011) 0.011 11.240 ( 0.000 0.000 -0.693) 0.693 11.240 ( 0.000 0.000 0.693) 0.693 11.356 ( 0.000 0.000 -1.476) 1.476 11.356 ( 0.000 0.000 1.476) 1.476 11.636 ( 0.000 0.000 -1.496) 1.496 11.636 ( 0.000 0.000 1.496) 1.496 ======================= Grid point 52 (20/27) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 8.779 0.000 -19.767) 21.629 1.064 ( 8.779 0.000 19.767) 21.629 1.205 ( 7.424 0.000 -21.697) 22.932 1.205 ( 7.424 0.000 21.697) 22.932 1.662 ( -7.307 0.000 -1.607) 7.481 1.662 ( -7.307 0.000 1.607) 7.481 1.814 ( -0.662 0.000 -1.262) 1.425 1.814 ( -0.662 0.000 1.262) 1.425 1.886 ( -3.583 0.000 -1.260) 3.798 1.886 ( -3.583 0.000 1.260) 3.798 1.910 ( -6.567 0.000 -4.032) 7.706 1.910 ( -6.567 0.000 4.032) 7.706 1.967 ( 0.485 0.000 -7.251) 7.268 1.967 ( 0.485 0.000 7.251) 7.268 1.996 ( 2.403 0.000 -2.963) 3.815 1.996 ( 2.403 0.000 2.963) 3.815 2.078 ( 6.442 0.000 -18.047) 19.162 2.078 ( 6.442 0.000 18.047) 19.162 2.200 ( 1.398 0.000 -0.609) 1.525 2.200 ( 1.398 0.000 0.609) 1.525 2.210 ( 3.861 0.000 -1.087) 4.012 2.210 ( 3.861 0.000 1.087) 4.012 2.317 ( 5.952 0.000 -2.384) 6.412 2.317 ( 5.952 0.000 2.384) 6.412 2.370 ( -0.591 0.000 -0.143) 0.608 2.370 ( -0.591 0.000 0.143) 0.608 2.384 ( 1.267 0.000 -2.677) 2.962 2.384 ( 1.267 0.000 2.677) 2.962 2.434 ( 2.655 0.000 -0.016) 2.655 2.434 ( 2.655 0.000 0.016) 2.655 2.499 ( -3.118 0.000 -1.766) 3.583 2.499 ( -3.118 0.000 1.766) 3.583 2.564 ( 2.936 0.000 -1.700) 3.393 2.564 ( 2.936 0.000 1.700) 3.393 2.610 ( 1.050 0.000 -0.812) 1.328 2.610 ( 1.050 0.000 0.812) 1.328 2.667 ( -0.633 0.000 -2.214) 2.303 2.667 ( -0.633 0.000 2.214) 2.303 2.706 ( 2.736 0.000 -2.661) 3.817 2.706 ( 2.736 0.000 2.661) 3.817 2.754 ( -0.045 0.000 -0.495) 0.497 2.754 ( -0.045 0.000 0.495) 0.497 2.827 ( -1.954 0.000 -1.724) 2.606 2.827 ( -1.954 0.000 1.724) 2.606 2.843 ( 1.038 0.000 -2.103) 2.345 2.843 ( 1.038 0.000 2.103) 2.345 2.869 ( -1.638 0.000 -0.262) 1.659 2.869 ( -1.638 0.000 0.262) 1.659 2.944 ( 2.519 0.000 -0.912) 2.679 2.944 ( 2.519 0.000 0.912) 2.679 2.996 ( 2.746 0.000 -3.893) 4.764 2.996 ( 2.746 0.000 3.893) 4.764 3.021 ( 1.075 0.000 -5.564) 5.667 3.021 ( 1.075 0.000 5.564) 5.667 3.041 ( -0.762 0.000 -6.121) 6.169 3.041 ( -0.762 0.000 6.121) 6.169 3.070 ( 0.280 0.000 -0.087) 0.293 3.070 ( 0.280 0.000 0.087) 0.293 3.123 ( 0.495 0.000 -0.818) 0.957 3.123 ( 0.495 0.000 0.818) 0.957 3.289 ( -5.822 0.000 -6.722) 8.893 3.289 ( -5.822 0.000 6.722) 8.893 3.311 ( 4.590 0.000 -5.851) 7.436 3.311 ( 4.590 0.000 5.851) 7.436 3.393 ( 2.588 0.000 -1.774) 3.138 3.393 ( 2.588 0.000 1.774) 3.138 3.473 ( 0.976 0.000 -0.559) 1.125 3.473 ( 0.976 0.000 0.559) 1.125 3.588 ( -2.636 0.000 -4.559) 5.266 3.588 ( -2.636 0.000 4.559) 5.266 3.693 ( -3.305 0.000 -4.026) 5.209 3.693 ( -3.305 0.000 4.026) 5.209 3.787 ( -0.878 0.000 -1.157) 1.453 3.787 ( -0.878 0.000 1.157) 1.453 3.811 ( -3.943 0.000 -2.105) 4.469 3.811 ( -3.943 0.000 2.105) 4.469 3.846 ( 2.324 0.000 -3.005) 3.798 3.846 ( 2.324 0.000 3.005) 3.798 3.924 ( 4.335 0.000 -3.942) 5.859 3.924 ( 4.335 0.000 3.942) 5.859 4.004 ( 3.745 0.000 -1.352) 3.982 4.004 ( 3.745 0.000 1.352) 3.982 4.127 ( -1.978 0.000 -2.853) 3.472 4.127 ( -1.978 0.000 2.853) 3.472 4.187 ( -0.546 0.000 -3.931) 3.969 4.187 ( -0.546 0.000 3.931) 3.969 4.244 ( 2.204 0.000 -4.384) 4.907 4.244 ( 2.204 0.000 4.384) 4.907 4.361 ( -3.464 0.000 -1.353) 3.719 4.361 ( -3.464 0.000 1.353) 3.719 4.438 ( -8.292 0.000 -0.174) 8.294 4.438 ( -8.292 0.000 0.174) 8.294 4.456 ( -0.891 0.000 -1.386) 1.647 4.456 ( -0.891 0.000 1.386) 1.647 4.513 ( -0.256 0.000 -1.290) 1.315 4.513 ( -0.256 0.000 1.290) 1.315 4.523 ( 0.099 0.000 -6.596) 6.596 4.523 ( 0.099 0.000 6.596) 6.596 4.604 ( -1.366 0.000 -1.737) 2.210 4.604 ( -1.366 0.000 1.737) 2.210 4.662 ( -3.802 0.000 -0.148) 3.805 4.662 ( -3.802 0.000 0.148) 3.805 4.738 ( 0.865 0.000 -7.873) 7.921 4.738 ( 0.865 0.000 7.873) 7.921 4.793 ( -3.900 0.000 -1.194) 4.079 4.793 ( -3.900 0.000 1.194) 4.079 4.898 ( -2.300 0.000 -0.237) 2.312 4.898 ( -2.300 0.000 0.237) 2.312 5.070 ( -0.974 0.000 -1.593) 1.867 5.070 ( -0.974 0.000 1.593) 1.867 5.139 ( -0.170 0.000 -2.240) 2.247 5.139 ( -0.170 0.000 2.240) 2.247 5.287 ( 1.298 0.000 -4.872) 5.042 5.287 ( 1.298 0.000 4.872) 5.042 5.403 ( -0.298 0.000 -0.699) 0.759 5.403 ( -0.298 0.000 0.699) 0.759 5.492 ( -0.905 0.000 -1.906) 2.110 5.492 ( -0.905 0.000 1.906) 2.110 5.566 ( 1.004 0.000 -1.018) 1.430 5.566 ( 1.004 0.000 1.018) 1.430 5.713 ( 2.183 0.000 -3.087) 3.780 5.713 ( 2.183 0.000 3.087) 3.780 5.747 ( -0.450 0.000 -1.285) 1.362 5.747 ( -0.450 0.000 1.285) 1.362 5.808 ( -2.617 0.000 -2.345) 3.514 5.808 ( -2.617 0.000 2.345) 3.514 5.952 ( -1.694 0.000 -2.004) 2.624 5.952 ( -1.694 0.000 2.004) 2.624 5.987 ( 1.418 0.000 -0.905) 1.682 5.987 ( 1.418 0.000 0.905) 1.682 6.079 ( -2.190 0.000 -2.821) 3.571 6.079 ( -2.190 0.000 2.821) 3.571 6.161 ( -4.132 0.000 -0.443) 4.156 6.161 ( -4.132 0.000 0.443) 4.156 6.270 ( -10.293 0.000 -5.354) 11.602 6.270 ( -10.293 0.000 5.354) 11.602 6.527 ( 2.409 0.000 -1.941) 3.094 6.527 ( 2.409 0.000 1.941) 3.094 6.553 ( 1.745 0.000 -2.582) 3.117 6.553 ( 1.745 0.000 2.582) 3.117 6.616 ( 2.206 0.000 -1.644) 2.751 6.616 ( 2.206 0.000 1.644) 2.751 6.766 ( 0.148 0.000 -2.041) 2.046 6.766 ( 0.148 0.000 2.041) 2.046 7.332 ( 2.554 0.000 -0.650) 2.635 7.332 ( 2.554 0.000 0.650) 2.635 7.446 ( -0.604 0.000 -1.532) 1.647 7.446 ( -0.604 0.000 1.532) 1.647 7.478 ( 5.230 0.000 -1.021) 5.329 7.478 ( 5.230 0.000 1.021) 5.329 7.500 ( 4.818 0.000 -1.047) 4.931 7.500 ( 4.818 0.000 1.047) 4.931 8.661 ( 0.611 0.000 -0.344) 0.701 8.661 ( 0.611 0.000 0.344) 0.701 8.676 ( -0.873 0.000 -0.049) 0.875 8.676 ( -0.873 0.000 0.049) 0.875 8.689 ( -1.057 0.000 -0.003) 1.057 8.689 ( -1.057 0.000 0.003) 1.057 8.707 ( -0.800 0.000 -0.557) 0.975 8.707 ( -0.800 0.000 0.557) 0.975 8.747 ( 1.528 0.000 -0.231) 1.546 8.747 ( 1.528 0.000 0.231) 1.546 8.769 ( 0.364 0.000 -1.889) 1.924 8.769 ( 0.364 0.000 1.889) 1.924 8.923 ( 2.311 0.000 -0.046) 2.312 8.923 ( 2.311 0.000 0.046) 2.312 8.954 ( 2.026 0.000 -1.675) 2.629 8.954 ( 2.026 0.000 1.675) 2.629 9.016 ( 1.862 0.000 -3.717) 4.157 9.016 ( 1.862 0.000 3.717) 4.157 9.129 ( -0.564 0.000 -1.934) 2.015 9.129 ( -0.564 0.000 1.934) 2.015 9.186 ( 2.258 0.000 -7.741) 8.064 9.186 ( 2.258 0.000 7.741) 8.064 9.248 ( 1.362 0.000 -2.922) 3.224 9.248 ( 1.362 0.000 2.922) 3.224 9.582 ( -3.086 0.000 -4.596) 5.536 9.582 ( -3.086 0.000 4.596) 5.536 9.767 ( -7.118 0.000 -4.259) 8.295 9.767 ( -7.118 0.000 4.259) 8.295 9.819 ( 0.913 0.000 -0.052) 0.914 9.819 ( 0.913 0.000 0.052) 0.914 9.869 ( -2.054 0.000 -2.800) 3.473 9.869 ( -2.054 0.000 2.800) 3.473 9.982 ( 0.071 0.000 -2.014) 2.016 9.982 ( 0.071 0.000 2.014) 2.016 10.060 ( -2.417 0.000 -0.849) 2.562 10.060 ( -2.417 0.000 0.849) 2.562 10.311 ( -0.048 0.000 -0.413) 0.415 10.311 ( -0.048 0.000 0.413) 0.415 10.389 ( 0.380 0.000 -1.686) 1.728 10.389 ( 0.380 0.000 1.686) 1.728 10.444 ( 0.565 0.000 -0.452) 0.723 10.444 ( 0.565 0.000 0.452) 0.723 10.483 ( -0.701 0.000 -1.737) 1.873 10.483 ( -0.701 0.000 1.737) 1.873 10.535 ( 6.171 0.000 -2.998) 6.861 10.535 ( 6.171 0.000 2.998) 6.861 10.658 ( 2.157 0.000 -2.946) 3.651 10.658 ( 2.157 0.000 2.946) 3.651 10.788 ( 1.368 0.000 -0.301) 1.400 10.788 ( 1.368 0.000 0.301) 1.400 10.934 ( 1.892 0.000 -0.687) 2.013 10.934 ( 1.892 0.000 0.687) 2.013 10.983 ( -3.076 0.000 -2.049) 3.696 10.983 ( -3.076 0.000 2.049) 3.696 11.054 ( -1.787 0.000 -1.588) 2.391 11.054 ( -1.787 0.000 1.588) 2.391 11.193 ( 1.024 0.000 -0.221) 1.047 11.193 ( 1.024 0.000 0.221) 1.047 11.243 ( -0.013 0.000 -0.822) 0.822 11.243 ( -0.013 0.000 0.822) 0.822 11.389 ( 3.458 0.000 -1.104) 3.630 11.389 ( 3.458 0.000 1.104) 3.630 11.615 ( -2.396 0.000 -1.150) 2.658 11.615 ( -2.396 0.000 1.150) 2.658 ======================= Grid point 54 (21/27) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 12.583 0.000 -13.756) 18.643 1.265 ( 12.583 0.000 13.756) 18.643 1.380 ( 10.176 0.000 -12.204) 15.890 1.380 ( 10.176 0.000 12.204) 15.890 1.506 ( -9.025 0.000 -2.745) 9.434 1.506 ( -9.025 0.000 2.745) 9.434 1.640 ( -13.845 0.000 -5.357) 14.846 1.640 ( -13.845 0.000 5.357) 14.846 1.831 ( 0.699 0.000 -3.475) 3.545 1.831 ( 0.699 0.000 3.475) 3.545 1.867 ( -2.730 0.000 -1.353) 3.047 1.867 ( -2.730 0.000 1.353) 3.047 2.022 ( 5.472 0.000 -4.033) 6.798 2.022 ( 5.472 0.000 4.033) 6.798 2.076 ( 3.073 0.000 -4.145) 5.160 2.076 ( 3.073 0.000 4.145) 5.160 2.147 ( 0.618 0.000 -3.477) 3.531 2.147 ( 0.618 0.000 3.477) 3.531 2.213 ( -3.753 0.000 -0.905) 3.860 2.213 ( -3.753 0.000 0.905) 3.860 2.236 ( 3.273 0.000 -4.425) 5.504 2.236 ( 3.273 0.000 4.425) 5.504 2.314 ( -4.644 0.000 -0.583) 4.680 2.314 ( -4.644 0.000 0.583) 4.680 2.408 ( 2.927 0.000 -1.855) 3.465 2.408 ( 2.927 0.000 1.855) 3.465 2.431 ( -0.216 0.000 -1.551) 1.566 2.431 ( -0.216 0.000 1.551) 1.566 2.479 ( 6.037 0.000 -5.700) 8.303 2.479 ( 6.037 0.000 5.700) 8.303 2.547 ( 4.022 0.000 -5.441) 6.766 2.547 ( 4.022 0.000 5.441) 6.766 2.566 ( 1.856 0.000 -6.477) 6.737 2.566 ( 1.856 0.000 6.477) 6.737 2.666 ( -0.015 0.000 -1.362) 1.362 2.666 ( -0.015 0.000 1.362) 1.362 2.700 ( 3.818 0.000 -0.766) 3.894 2.700 ( 3.818 0.000 0.766) 3.894 2.724 ( -2.978 0.000 -6.159) 6.842 2.724 ( -2.978 0.000 6.159) 6.842 2.746 ( 3.029 0.000 -2.210) 3.750 2.746 ( 3.029 0.000 2.210) 3.750 2.806 ( -0.044 0.000 -3.261) 3.261 2.806 ( -0.044 0.000 3.261) 3.261 2.842 ( -0.918 0.000 -1.958) 2.162 2.842 ( -0.918 0.000 1.958) 2.162 2.855 ( -0.284 0.000 -0.635) 0.696 2.855 ( -0.284 0.000 0.635) 0.696 2.925 ( -0.750 0.000 -0.409) 0.854 2.925 ( -0.750 0.000 0.409) 0.854 2.995 ( -6.224 0.000 -1.530) 6.409 2.995 ( -6.224 0.000 1.531) 6.409 3.031 ( 1.882 0.000 -1.310) 2.293 3.031 ( 1.882 0.000 1.310) 2.293 3.076 ( 1.860 0.000 -1.068) 2.145 3.076 ( 1.860 0.000 1.068) 2.145 3.104 ( -2.577 0.000 -6.982) 7.442 3.104 ( -2.577 0.000 6.982) 7.442 3.130 ( 0.748 0.000 -0.641) 0.985 3.130 ( 0.748 0.000 0.641) 0.985 3.199 ( 4.519 0.000 -7.332) 8.613 3.199 ( 4.519 0.000 7.332) 8.613 3.334 ( -7.177 0.000 -6.654) 9.787 3.334 ( -7.177 0.000 6.654) 9.787 3.445 ( 6.168 0.000 -2.447) 6.636 3.445 ( 6.168 0.000 2.447) 6.636 3.526 ( 4.918 0.000 -1.525) 5.149 3.526 ( 4.918 0.000 1.525) 5.149 3.548 ( -2.381 0.000 -2.569) 3.503 3.548 ( -2.381 0.000 2.569) 3.503 3.682 ( -5.141 0.000 -6.026) 7.921 3.682 ( -5.141 0.000 6.026) 7.921 3.697 ( 1.810 0.000 -0.050) 1.811 3.697 ( 1.810 0.000 0.050) 1.811 3.781 ( -3.066 0.000 -3.623) 4.746 3.781 ( -3.066 0.000 3.623) 4.746 3.906 ( 6.182 0.000 -5.470) 8.255 3.906 ( 6.182 0.000 5.470) 8.255 4.037 ( 5.374 0.000 -2.691) 6.010 4.037 ( 5.374 0.000 2.691) 6.010 4.052 ( -3.309 0.000 -4.317) 5.440 4.052 ( -3.309 0.000 4.317) 5.440 4.099 ( -3.622 0.000 -4.347) 5.659 4.099 ( -3.622 0.000 4.347) 5.659 4.126 ( 1.815 0.000 -0.334) 1.845 4.126 ( 1.815 0.000 0.334) 1.845 4.255 ( -2.736 0.000 -2.225) 3.526 4.255 ( -2.736 0.000 2.225) 3.526 4.287 ( -3.708 0.000 -1.870) 4.153 4.287 ( -3.708 0.000 1.870) 4.153 4.322 ( -1.748 0.000 -4.564) 4.888 4.322 ( -1.748 0.000 4.564) 4.888 4.449 ( 0.508 0.000 -2.596) 2.645 4.449 ( 0.508 0.000 2.596) 2.645 4.499 ( -3.501 0.000 -0.489) 3.535 4.499 ( -3.501 0.000 0.489) 3.535 4.526 ( 2.283 0.000 -8.715) 9.009 4.526 ( 2.283 0.000 8.715) 9.009 4.581 ( -3.445 0.000 -4.564) 5.718 4.581 ( -3.445 0.000 4.564) 5.718 4.624 ( 2.876 0.000 -0.078) 2.877 4.624 ( 2.876 0.000 0.078) 2.877 4.702 ( -5.235 0.000 -0.815) 5.298 4.702 ( -5.235 0.000 0.815) 5.298 4.767 ( 2.721 0.000 -6.356) 6.914 4.767 ( 2.721 0.000 6.356) 6.914 4.836 ( -4.336 0.000 -3.157) 5.364 4.836 ( -4.336 0.000 3.157) 5.364 5.080 ( 1.899 0.000 -0.581) 1.985 5.080 ( 1.899 0.000 0.581) 1.985 5.119 ( -1.911 0.000 -0.753) 2.054 5.119 ( -1.911 0.000 0.753) 2.054 5.313 ( 1.879 0.000 -5.075) 5.412 5.313 ( 1.879 0.000 5.075) 5.412 5.361 ( -3.270 0.000 -2.194) 3.938 5.361 ( -3.270 0.000 2.194) 3.938 5.522 ( 3.359 0.000 -3.435) 4.804 5.522 ( 3.359 0.000 3.435) 4.804 5.571 ( -1.187 0.000 -2.862) 3.099 5.571 ( -1.187 0.000 2.862) 3.099 5.710 ( -0.464 0.000 -1.459) 1.531 5.710 ( -0.464 0.000 1.459) 1.531 5.729 ( -2.305 0.000 -0.791) 2.437 5.729 ( -2.305 0.000 0.791) 2.437 5.830 ( 5.007 0.000 -0.895) 5.086 5.830 ( 5.007 0.000 0.895) 5.086 5.921 ( -3.658 0.000 -0.529) 3.696 5.921 ( -3.658 0.000 0.529) 3.696 6.007 ( 0.625 0.000 -1.921) 2.021 6.007 ( 0.625 0.000 1.921) 2.021 6.052 ( -0.594 0.000 -0.013) 0.594 6.052 ( -0.594 0.000 0.013) 0.594 6.075 ( -1.584 0.000 -0.482) 1.656 6.075 ( -1.584 0.000 0.482) 1.656 6.139 ( -5.062 0.000 -0.554) 5.092 6.139 ( -5.062 0.000 0.554) 5.092 6.565 ( 1.581 0.000 -2.338) 2.823 6.565 ( 1.581 0.000 2.338) 2.823 6.576 ( 0.457 0.000 -2.460) 2.502 6.576 ( 0.457 0.000 2.460) 2.502 6.677 ( 3.851 0.000 -0.688) 3.912 6.677 ( 3.851 0.000 0.688) 3.912 6.739 ( -2.795 0.000 -0.719) 2.886 6.739 ( -2.795 0.000 0.719) 2.886 7.385 ( 2.870 0.000 -0.130) 2.873 7.385 ( 2.870 0.000 0.130) 2.873 7.426 ( -1.679 0.000 -1.030) 1.970 7.426 ( -1.679 0.000 1.030) 1.970 7.549 ( 2.994 0.000 -0.936) 3.137 7.549 ( 2.994 0.000 0.936) 3.137 7.569 ( 1.292 0.000 -1.845) 2.252 7.569 ( 1.292 0.000 1.845) 2.252 8.663 ( -0.205 0.000 -1.278) 1.295 8.663 ( -0.205 0.000 1.278) 1.295 8.667 ( -0.480 0.000 -0.959) 1.073 8.667 ( -0.480 0.000 0.959) 1.073 8.678 ( 0.406 0.000 -0.861) 0.952 8.678 ( 0.406 0.000 0.861) 0.952 8.691 ( -0.885 0.000 -0.264) 0.923 8.691 ( -0.885 0.000 0.264) 0.923 8.769 ( 0.781 0.000 -0.634) 1.006 8.769 ( 0.781 0.000 0.634) 1.006 8.774 ( 0.110 0.000 -1.215) 1.220 8.774 ( 0.110 0.000 1.215) 1.220 8.964 ( 1.793 0.000 -1.697) 2.469 8.964 ( 1.793 0.000 1.697) 2.469 8.979 ( 0.321 0.000 -0.138) 0.350 8.979 ( 0.321 0.000 0.138) 0.350 9.065 ( 3.146 0.000 -3.292) 4.553 9.065 ( 3.146 0.000 3.292) 4.553 9.110 ( -1.705 0.000 -0.494) 1.775 9.110 ( -1.705 0.000 0.494) 1.775 9.234 ( 2.782 0.000 -5.502) 6.165 9.234 ( 2.782 0.000 5.502) 6.165 9.266 ( -0.174 0.000 -1.988) 1.995 9.266 ( -0.174 0.000 1.988) 1.995 9.547 ( 0.450 0.000 -0.036) 0.452 9.547 ( 0.450 0.000 0.036) 0.452 9.618 ( -7.100 0.000 -4.397) 8.351 9.618 ( -7.100 0.000 4.397) 8.351 9.840 ( 1.187 0.000 -0.534) 1.302 9.840 ( 1.187 0.000 0.534) 1.302 9.856 ( -0.534 0.000 -2.244) 2.306 9.856 ( -0.534 0.000 2.244) 2.306 9.989 ( 0.798 0.000 -0.704) 1.064 9.989 ( 0.798 0.000 0.704) 1.064 10.015 ( -2.173 0.000 -1.080) 2.427 10.015 ( -2.173 0.000 1.080) 2.427 10.330 ( 1.926 0.000 -0.888) 2.121 10.330 ( 1.926 0.000 0.888) 2.121 10.370 ( -2.113 0.000 -1.477) 2.578 10.370 ( -2.113 0.000 1.477) 2.578 10.454 ( 0.617 0.000 -0.534) 0.816 10.454 ( 0.617 0.000 0.534) 0.816 10.466 ( -0.719 0.000 -1.431) 1.602 10.466 ( -0.719 0.000 1.431) 1.602 10.640 ( 4.293 0.000 -3.320) 5.426 10.640 ( 4.293 0.000 3.320) 5.426 10.679 ( -0.201 0.000 -3.528) 3.533 10.679 ( -0.201 0.000 3.528) 3.533 10.830 ( 3.362 0.000 -0.327) 3.378 10.830 ( 3.362 0.000 0.327) 3.378 10.906 ( -4.605 0.000 -0.644) 4.650 10.906 ( -4.605 0.000 0.644) 4.650 10.979 ( 2.379 0.000 -2.176) 3.224 10.979 ( 2.379 0.000 2.176) 3.224 11.019 ( -2.061 0.000 -2.279) 3.073 11.019 ( -2.061 0.000 2.279) 3.073 11.215 ( 1.283 0.000 -0.047) 1.284 11.215 ( 1.283 0.000 0.047) 1.284 11.235 ( -0.842 0.000 -0.542) 1.001 11.235 ( -0.842 0.000 0.542) 1.001 11.467 ( 4.887 0.000 -0.253) 4.893 11.467 ( 4.887 0.000 0.253) 4.893 11.553 ( -4.308 0.000 -0.509) 4.338 11.553 ( -4.308 0.000 0.509) 4.338 ======================= Grid point 60 (22/27) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.000 11.960 -17.181) 20.934 1.101 ( 0.000 11.960 17.181) 20.934 1.220 ( 0.000 7.948 -21.666) 23.078 1.220 ( 0.000 7.948 21.666) 23.078 1.682 ( 0.000 -9.802 -12.320) 15.744 1.682 ( 0.000 -9.802 12.320) 15.744 1.718 ( 0.000 -7.009 -3.594) 7.876 1.718 ( 0.000 -7.009 3.594) 7.876 1.896 ( 0.000 -0.420 -5.830) 5.845 1.896 ( 0.000 -0.420 5.830) 5.845 1.911 ( 0.000 0.310 -0.979) 1.027 1.911 ( 0.000 0.310 0.979) 1.027 1.981 ( 0.000 1.187 -16.412) 16.454 1.981 ( 0.000 1.187 16.412) 16.454 1.995 ( 0.000 -5.310 -2.563) 5.896 1.995 ( 0.000 -5.310 2.563) 5.896 2.106 ( 0.000 1.157 -6.259) 6.365 2.106 ( 0.000 1.157 6.259) 6.365 2.112 ( 0.000 6.333 -16.058) 17.261 2.112 ( 0.000 6.333 16.058) 17.261 2.178 ( 0.000 -1.439 -2.731) 3.087 2.178 ( 0.000 -1.439 2.731) 3.087 2.242 ( 0.000 -1.161 -2.403) 2.669 2.242 ( 0.000 -1.161 2.403) 2.669 2.311 ( 0.000 -3.780 -2.766) 4.685 2.311 ( 0.000 -3.780 2.766) 4.685 2.378 ( 0.000 0.914 -1.297) 1.586 2.378 ( 0.000 0.914 1.297) 1.586 2.417 ( 0.000 2.198 -3.371) 4.024 2.417 ( 0.000 2.198 3.371) 4.024 2.553 ( 0.000 1.014 -3.578) 3.718 2.553 ( 0.000 1.014 3.578) 3.718 2.563 ( 0.000 0.889 -6.391) 6.452 2.563 ( 0.000 0.889 6.391) 6.452 2.606 ( 0.000 -2.892 -1.339) 3.187 2.606 ( 0.000 -2.892 1.339) 3.187 2.674 ( 0.000 -4.393 -6.950) 8.222 2.674 ( 0.000 -4.393 6.950) 8.222 2.677 ( 0.000 0.014 -5.177) 5.177 2.677 ( 0.000 0.014 5.177) 5.177 2.787 ( 0.000 7.140 -3.960) 8.164 2.787 ( 0.000 7.140 3.960) 8.164 2.793 ( 0.000 -1.273 -2.625) 2.918 2.793 ( 0.000 -1.273 2.625) 2.918 2.822 ( 0.000 -1.772 -1.804) 2.529 2.822 ( 0.000 -1.772 1.804) 2.529 2.858 ( 0.000 -1.344 -2.737) 3.049 2.858 ( 0.000 -1.344 2.737) 3.049 2.896 ( 0.000 -3.554 -3.575) 5.041 2.896 ( 0.000 -3.554 3.575) 5.041 2.963 ( 0.000 0.576 -6.186) 6.213 2.963 ( 0.000 0.576 6.186) 6.213 3.015 ( 0.000 -0.762 -5.257) 5.312 3.015 ( 0.000 -0.762 5.257) 5.312 3.058 ( 0.000 3.025 -6.274) 6.965 3.058 ( 0.000 3.025 6.274) 6.965 3.115 ( 0.000 1.735 -1.865) 2.547 3.115 ( 0.000 1.735 1.865) 2.547 3.127 ( 0.000 -3.888 -3.032) 4.930 3.127 ( 0.000 -3.888 3.032) 4.930 3.222 ( 0.000 1.630 -10.421) 10.548 3.222 ( 0.000 1.630 10.421) 10.548 3.319 ( 0.000 -2.708 -3.498) 4.424 3.319 ( 0.000 -2.708 3.498) 4.424 3.408 ( 0.000 0.791 -4.636) 4.703 3.408 ( 0.000 0.791 4.636) 4.703 3.433 ( 0.000 1.210 -2.192) 2.504 3.433 ( 0.000 1.210 2.192) 2.504 3.565 ( 0.000 -2.249 -1.065) 2.488 3.565 ( 0.000 -2.249 1.065) 2.488 3.693 ( 0.000 -4.789 -4.017) 6.251 3.693 ( 0.000 -4.789 4.017) 6.251 3.841 ( 0.000 4.877 -3.780) 6.170 3.841 ( 0.000 4.877 3.780) 6.170 3.875 ( 0.000 1.540 -2.804) 3.199 3.875 ( 0.000 1.540 2.804) 3.199 3.881 ( 0.000 2.371 -0.954) 2.556 3.881 ( 0.000 2.371 0.954) 2.556 3.929 ( 0.000 1.427 -2.787) 3.132 3.929 ( 0.000 1.427 2.787) 3.132 3.975 ( 0.000 2.274 -1.855) 2.935 3.975 ( 0.000 2.274 1.855) 2.935 4.113 ( 0.000 -2.763 -1.078) 2.966 4.113 ( 0.000 -2.763 1.078) 2.966 4.228 ( 0.000 2.558 -3.601) 4.417 4.228 ( 0.000 2.558 3.601) 4.417 4.245 ( 0.000 4.114 -3.946) 5.700 4.245 ( 0.000 4.114 3.946) 5.700 4.413 ( 0.000 -2.420 -2.664) 3.599 4.413 ( 0.000 -2.420 2.664) 3.599 4.416 ( 0.000 0.226 -2.519) 2.529 4.416 ( 0.000 0.226 2.519) 2.529 4.494 ( 0.000 0.628 -2.643) 2.716 4.494 ( 0.000 0.628 2.643) 2.716 4.532 ( 0.000 -0.810 -1.814) 1.987 4.532 ( 0.000 -0.810 1.814) 1.987 4.564 ( 0.000 -0.242 -5.080) 5.086 4.564 ( 0.000 -0.242 5.080) 5.086 4.601 ( 0.000 -1.239 -7.007) 7.115 4.601 ( 0.000 -1.239 7.007) 7.115 4.688 ( 0.000 -0.241 -1.929) 1.944 4.688 ( 0.000 -0.241 1.929) 1.944 4.723 ( 0.000 -0.509 -8.147) 8.162 4.723 ( 0.000 -0.509 8.147) 8.162 4.844 ( 0.000 2.040 -2.578) 3.287 4.844 ( 0.000 2.040 2.578) 3.287 4.920 ( 0.000 -0.351 -1.778) 1.812 4.920 ( 0.000 -0.351 1.778) 1.812 5.091 ( 0.000 -0.368 -1.667) 1.707 5.091 ( 0.000 -0.368 1.667) 1.707 5.107 ( 0.000 -1.556 -2.606) 3.035 5.107 ( 0.000 -1.556 2.606) 3.035 5.313 ( 0.000 3.049 -3.940) 4.982 5.313 ( 0.000 3.049 3.940) 4.982 5.392 ( 0.000 -0.601 -0.722) 0.939 5.392 ( 0.000 -0.601 0.722) 0.939 5.513 ( 0.000 0.208 -2.981) 2.988 5.513 ( 0.000 0.208 2.981) 2.988 5.542 ( 0.000 -0.925 -2.090) 2.286 5.542 ( 0.000 -0.925 2.090) 2.286 5.701 ( 0.000 1.574 -2.591) 3.032 5.701 ( 0.000 1.574 2.591) 3.032 5.753 ( 0.000 -0.495 -1.282) 1.374 5.753 ( 0.000 -0.495 1.282) 1.374 5.843 ( 0.000 1.181 -2.401) 2.676 5.843 ( 0.000 1.181 2.401) 2.676 5.944 ( 0.000 -1.781 -3.514) 3.940 5.944 ( 0.000 -1.781 3.514) 3.940 6.016 ( 0.000 0.972 -3.273) 3.414 6.016 ( 0.000 0.972 3.273) 3.414 6.070 ( 0.000 -1.314 -3.089) 3.357 6.070 ( 0.000 -1.314 3.089) 3.357 6.216 ( 0.000 1.764 -2.663) 3.194 6.216 ( 0.000 1.764 2.663) 3.194 6.364 ( 0.000 -4.075 -4.556) 6.112 6.364 ( 0.000 -4.075 4.556) 6.112 6.512 ( 0.000 0.795 -2.123) 2.267 6.512 ( 0.000 0.795 2.123) 2.267 6.529 ( 0.000 0.059 -1.909) 1.910 6.529 ( 0.000 0.059 1.909) 1.910 6.612 ( 0.000 0.213 -1.115) 1.136 6.612 ( 0.000 0.213 1.115) 1.136 6.690 ( 0.000 -3.923 -1.045) 4.060 6.690 ( 0.000 -3.923 1.045) 4.060 7.322 ( 0.000 1.414 -0.691) 1.574 7.322 ( 0.000 1.414 0.691) 1.574 7.387 ( 0.000 -0.953 -0.700) 1.183 7.387 ( 0.000 -0.953 0.700) 1.183 7.449 ( 0.000 -0.245 -0.554) 0.606 7.449 ( 0.000 -0.245 0.554) 0.606 7.455 ( 0.000 -0.209 -1.690) 1.703 7.455 ( 0.000 -0.209 1.690) 1.703 8.657 ( 0.000 0.306 -0.666) 0.733 8.657 ( 0.000 0.306 0.666) 0.733 8.674 ( 0.000 -0.635 -1.684) 1.800 8.674 ( 0.000 -0.635 1.684) 1.800 8.688 ( 0.000 -0.702 -0.849) 1.101 8.688 ( 0.000 -0.702 0.849) 1.101 8.703 ( 0.000 -1.014 -1.020) 1.438 8.703 ( 0.000 -1.014 1.020) 1.438 8.756 ( 0.000 1.572 -1.768) 2.366 8.756 ( 0.000 1.572 1.768) 2.366 8.772 ( 0.000 0.462 -1.926) 1.980 8.772 ( 0.000 0.462 1.926) 1.980 8.905 ( 0.000 0.509 -2.669) 2.717 8.905 ( 0.000 0.509 2.669) 2.717 8.927 ( 0.000 -0.330 -0.987) 1.040 8.927 ( 0.000 -0.330 0.987) 1.040 9.016 ( 0.000 1.646 -3.967) 4.295 9.016 ( 0.000 1.646 3.967) 4.295 9.119 ( 0.000 -1.784 -4.295) 4.650 9.119 ( 0.000 -1.784 4.295) 4.650 9.167 ( 0.000 0.404 -11.057) 11.064 9.167 ( 0.000 0.404 11.057) 11.064 9.207 ( 0.000 -2.031 -9.059) 9.284 9.207 ( 0.000 -2.031 9.059) 9.284 9.638 ( 0.000 2.142 -6.715) 7.049 9.638 ( 0.000 2.142 6.715) 7.049 9.779 ( 0.000 -0.908 -4.754) 4.840 9.779 ( 0.000 -0.908 4.754) 4.840 9.829 ( 0.000 -2.913 -0.555) 2.965 9.829 ( 0.000 -2.913 0.555) 2.965 9.867 ( 0.000 -3.615 -4.638) 5.881 9.867 ( 0.000 -3.615 4.638) 5.881 9.975 ( 0.000 -3.114 -3.392) 4.605 9.975 ( 0.000 -3.114 3.392) 4.605 10.016 ( 0.000 0.796 -3.608) 3.695 10.016 ( 0.000 0.796 3.608) 3.695 10.325 ( 0.000 -0.563 -2.850) 2.905 10.325 ( 0.000 -0.563 2.850) 2.905 10.331 ( 0.000 -1.333 -0.979) 1.654 10.331 ( 0.000 -1.333 0.979) 1.654 10.468 ( 0.000 2.071 -0.493) 2.129 10.468 ( 0.000 2.071 0.493) 2.129 10.481 ( 0.000 0.402 -1.321) 1.381 10.481 ( 0.000 0.402 1.321) 1.381 10.543 ( 0.000 3.401 -3.598) 4.951 10.543 ( 0.000 3.401 3.598) 4.951 10.588 ( 0.000 -1.780 -1.222) 2.159 10.588 ( 0.000 -1.780 1.222) 2.159 10.856 ( 0.000 5.385 -0.473) 5.406 10.856 ( 0.000 5.385 0.473) 5.406 10.908 ( 0.000 -2.392 -0.418) 2.429 10.908 ( 0.000 -2.392 0.418) 2.429 10.994 ( 0.000 -5.111 -1.241) 5.260 10.994 ( 0.000 -5.111 1.241) 5.260 11.010 ( 0.000 0.489 -3.145) 3.183 11.010 ( 0.000 0.489 3.145) 3.183 11.243 ( 0.000 3.582 -1.444) 3.862 11.243 ( 0.000 3.582 1.444) 3.862 11.310 ( 0.000 1.902 -1.515) 2.432 11.310 ( 0.000 1.902 1.515) 2.432 11.385 ( 0.000 5.370 -3.484) 6.401 11.385 ( 0.000 5.370 3.484) 6.401 11.606 ( 0.000 -2.962 -3.632) 4.687 11.606 ( 0.000 -2.962 3.632) 4.687 ======================= Grid point 62 (23/27) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 5.479 8.755 -17.047) 19.932 1.148 ( 5.479 8.755 17.047) 19.932 1.295 ( 7.705 8.450 -19.687) 22.767 1.295 ( 7.705 8.450 19.687) 22.767 1.601 ( -4.871 -6.552 -4.396) 9.272 1.601 ( -4.871 -6.552 4.396) 9.272 1.764 ( 0.377 -6.752 -8.185) 10.617 1.764 ( 0.377 -6.752 8.185) 10.617 1.823 ( -6.355 -1.597 -2.942) 7.183 1.823 ( -6.355 -1.597 2.942) 7.183 1.895 ( -1.566 -7.399 -2.055) 7.837 1.895 ( -1.566 -7.399 2.055) 7.837 1.954 ( -6.057 0.797 -2.915) 6.769 1.954 ( -6.057 0.797 2.915) 6.769 2.017 ( 1.129 0.867 -8.021) 8.147 2.017 ( 1.129 0.867 8.021) 8.147 2.059 ( 2.972 -1.001 -2.911) 4.279 2.059 ( 2.972 -1.001 2.911) 4.279 2.173 ( 0.075 2.337 -8.340) 8.661 2.173 ( 0.075 2.337 8.340) 8.661 2.231 ( 5.067 1.137 -6.528) 8.342 2.231 ( 5.067 1.137 6.528) 8.342 2.276 ( 3.803 -2.290 -5.087) 6.751 2.276 ( 3.803 -2.290 5.087) 6.751 2.349 ( 4.955 -0.887 -2.058) 5.438 2.349 ( 4.955 -0.887 2.058) 5.438 2.408 ( 2.043 2.125 -3.125) 4.295 2.408 ( 2.043 2.125 3.125) 4.295 2.446 ( 2.825 1.500 -0.518) 3.241 2.446 ( 2.825 1.500 0.518) 3.241 2.541 ( -0.235 0.115 -2.265) 2.280 2.541 ( -0.235 0.115 2.265) 2.280 2.576 ( 1.203 0.920 -3.157) 3.501 2.576 ( 1.203 0.920 3.157) 3.501 2.603 ( 1.150 -1.434 -0.685) 1.962 2.603 ( 1.150 -1.434 0.685) 1.962 2.665 ( -0.683 -0.257 -4.925) 4.978 2.665 ( -0.683 -0.257 4.925) 4.978 2.718 ( 2.468 -0.563 -3.669) 4.458 2.718 ( 2.468 -0.563 3.669) 4.458 2.779 ( -0.143 3.907 -2.334) 4.553 2.779 ( -0.143 3.907 2.334) 4.553 2.799 ( -0.741 -1.228 -0.938) 1.714 2.799 ( -0.741 -1.228 0.938) 1.714 2.826 ( 2.269 -1.069 -2.437) 3.497 2.826 ( 2.269 -1.069 2.437) 3.497 2.867 ( -1.179 -0.326 -1.877) 2.241 2.867 ( -1.179 -0.326 1.877) 2.241 2.927 ( 3.299 -2.965 -4.262) 6.151 2.927 ( 3.299 -2.965 4.262) 6.151 2.969 ( 1.757 -1.128 -3.755) 4.297 2.969 ( 1.757 -1.128 3.755) 4.297 3.036 ( -0.983 0.699 -2.513) 2.788 3.036 ( -0.983 0.699 2.513) 2.788 3.062 ( 0.422 1.643 -5.755) 6.000 3.062 ( 0.422 1.643 5.755) 6.000 3.098 ( 0.352 1.392 -2.791) 3.139 3.098 ( 0.352 1.392 2.791) 3.139 3.129 ( 1.730 -0.429 -3.117) 3.591 3.129 ( 1.730 -0.429 3.117) 3.591 3.255 ( 0.921 -0.443 -4.024) 4.152 3.255 ( 0.921 -0.443 4.024) 4.152 3.334 ( -0.269 -0.168 -2.231) 2.254 3.334 ( -0.269 -0.168 2.231) 2.254 3.375 ( 0.988 0.683 -4.074) 4.247 3.375 ( 0.988 0.683 4.074) 4.247 3.468 ( 2.646 -0.754 -1.318) 3.051 3.468 ( 2.646 -0.754 1.318) 3.051 3.581 ( 1.441 -1.151 -1.672) 2.490 3.581 ( 1.441 -1.151 1.672) 2.490 3.671 ( -3.531 -1.820 -2.759) 4.837 3.671 ( -3.531 -1.820 2.759) 4.837 3.746 ( -5.281 -0.181 -2.058) 5.671 3.746 ( -5.281 -0.181 2.058) 5.671 3.840 ( -4.585 1.763 -0.549) 4.943 3.840 ( -4.585 1.763 0.549) 4.943 3.890 ( 0.311 2.412 -0.384) 2.462 3.890 ( 0.311 2.412 0.384) 2.462 3.934 ( 1.159 -0.857 -4.306) 4.541 3.934 ( 1.159 -0.857 4.306) 4.541 4.027 ( 3.100 2.032 -1.063) 3.856 4.027 ( 3.100 2.032 1.063) 3.856 4.102 ( 0.311 -1.813 -0.880) 2.039 4.102 ( 0.311 -1.813 0.880) 2.039 4.205 ( -2.381 1.994 -1.878) 3.630 4.205 ( -2.381 1.994 1.878) 3.630 4.281 ( 1.105 2.455 -3.146) 4.141 4.281 ( 1.105 2.455 3.146) 4.141 4.363 ( -2.705 0.117 -1.746) 3.222 4.363 ( -2.705 0.117 1.746) 3.222 4.440 ( -2.074 0.981 -2.524) 3.411 4.440 ( -2.074 0.981 2.524) 3.411 4.458 ( -3.682 -0.798 -4.149) 5.604 4.458 ( -3.682 -0.798 4.149) 5.604 4.517 ( -0.080 0.245 -2.988) 2.999 4.517 ( -0.080 0.245 2.988) 2.999 4.526 ( -1.172 0.347 -5.540) 5.673 4.526 ( -1.172 0.347 5.540) 5.673 4.587 ( -1.135 -1.826 -4.286) 4.795 4.587 ( -1.135 -1.826 4.286) 4.795 4.657 ( -3.113 0.084 -1.780) 3.586 4.657 ( -3.113 0.084 1.780) 3.586 4.717 ( -0.819 -1.506 -6.830) 7.042 4.717 ( -0.819 -1.506 6.830) 7.042 4.819 ( -2.761 2.355 -2.354) 4.326 4.819 ( -2.761 2.355 2.354) 4.326 4.898 ( -2.365 -0.318 -1.623) 2.886 4.898 ( -2.365 -0.318 1.623) 2.886 5.074 ( -0.343 0.414 -1.859) 1.935 5.074 ( -0.343 0.414 1.859) 1.935 5.123 ( 0.417 -1.368 -1.934) 2.405 5.123 ( 0.417 -1.368 1.934) 2.405 5.313 ( 0.119 2.133 -4.650) 5.118 5.313 ( 0.119 2.133 4.650) 5.118 5.391 ( -0.680 -1.157 -2.509) 2.845 5.391 ( -0.680 -1.157 2.509) 2.845 5.502 ( -0.242 0.998 -1.023) 1.450 5.502 ( -0.242 0.998 1.023) 1.450 5.555 ( 0.963 -1.033 -1.218) 1.865 5.555 ( 0.963 -1.033 1.218) 1.865 5.721 ( 1.057 0.802 -2.078) 2.465 5.721 ( 1.057 0.802 2.078) 2.465 5.750 ( -0.327 0.020 -0.948) 1.003 5.750 ( -0.327 0.020 0.948) 1.003 5.828 ( -1.382 1.858 -2.746) 3.592 5.828 ( -1.382 1.858 2.746) 3.592 5.930 ( -2.190 -1.957 -3.410) 4.500 5.930 ( -2.190 -1.957 3.410) 4.500 5.992 ( 0.716 0.426 -0.340) 0.900 5.992 ( 0.716 0.426 0.340) 0.900 6.053 ( -2.477 -2.111 -2.787) 4.285 6.053 ( -2.477 -2.111 2.787) 4.285 6.176 ( -4.207 1.343 -1.344) 4.616 6.176 ( -4.207 1.343 1.344) 4.616 6.250 ( -8.416 -1.768 -4.649) 9.775 6.250 ( -8.416 -1.768 4.649) 9.775 6.542 ( 2.937 1.256 -1.268) 3.436 6.542 ( 2.937 1.256 1.268) 3.436 6.558 ( 2.151 0.412 -1.833) 2.856 6.558 ( 2.151 0.412 1.833) 2.856 6.623 ( 2.045 0.826 -1.252) 2.536 6.623 ( 2.045 0.826 1.252) 2.536 6.730 ( 1.538 -3.210 -1.486) 3.857 6.730 ( 1.538 -3.210 1.486) 3.857 7.348 ( 2.576 1.504 -0.524) 3.029 7.348 ( 2.576 1.504 0.524) 3.029 7.434 ( 1.808 -1.500 -0.794) 2.480 7.434 ( 1.808 -1.500 0.794) 2.480 7.465 ( 2.871 -0.686 -0.757) 3.048 7.465 ( 2.871 -0.686 0.757) 3.048 7.484 ( 3.118 -1.182 -0.619) 3.392 7.484 ( 3.118 -1.182 0.619) 3.392 8.662 ( 0.312 0.096 -0.753) 0.821 8.662 ( 0.312 0.096 0.753) 0.821 8.669 ( -0.485 -0.378 -0.796) 1.006 8.669 ( -0.485 -0.378 0.796) 1.006 8.680 ( -0.551 -0.342 -1.185) 1.351 8.680 ( -0.551 -0.342 1.185) 1.351 8.700 ( -0.584 -0.864 -0.152) 1.054 8.700 ( -0.584 -0.864 0.152) 1.054 8.763 ( 0.852 1.152 -1.077) 1.793 8.763 ( 0.852 1.152 1.077) 1.793 8.776 ( 0.397 0.472 -1.948) 2.044 8.776 ( 0.397 0.472 1.948) 2.044 8.928 ( 2.295 0.510 -0.723) 2.460 8.928 ( 2.295 0.510 0.723) 2.460 8.950 ( 2.059 -0.341 -1.654) 2.663 8.950 ( 2.059 -0.341 1.654) 2.663 9.034 ( 1.982 1.768 -3.860) 4.686 9.034 ( 1.982 1.768 3.860) 4.686 9.125 ( 0.318 -0.786 -3.257) 3.365 9.125 ( 0.318 -0.786 3.257) 3.365 9.182 ( 1.663 -0.285 -10.057) 10.198 9.182 ( 1.663 -0.285 10.057) 10.198 9.219 ( 1.243 -2.254 -7.613) 8.036 9.219 ( 1.243 -2.254 7.613) 8.036 9.600 ( -3.403 1.797 -4.888) 6.221 9.600 ( -3.403 1.797 4.888) 6.221 9.734 ( -7.449 -3.488 -4.592) 9.420 9.734 ( -7.449 -3.488 4.592) 9.420 9.793 ( 0.458 -0.880 -2.929) 3.092 9.793 ( 0.458 -0.880 2.929) 3.092 9.857 ( -1.266 -2.592 -3.355) 4.425 9.857 ( -1.266 -2.592 3.355) 4.425 9.972 ( 1.809 1.659 -2.986) 3.866 9.972 ( 1.809 1.659 2.986) 3.866 10.065 ( 1.923 -0.376 -2.482) 3.162 10.065 ( 1.923 -0.376 2.482) 3.162 10.305 ( -1.059 -0.065 -1.199) 1.601 10.305 ( -1.059 -0.065 1.199) 1.601 10.351 ( 0.717 -2.378 -0.579) 2.550 10.351 ( 0.717 -2.378 0.579) 2.550 10.455 ( -0.007 0.813 -0.107) 0.820 10.455 ( -0.007 0.813 0.107) 0.820 10.483 ( -1.467 -0.324 -1.909) 2.429 10.483 ( -1.467 -0.324 1.909) 2.429 10.552 ( 2.843 1.293 -1.865) 3.638 10.552 ( 2.843 1.293 1.865) 3.638 10.629 ( 2.606 -1.312 -1.010) 3.087 10.629 ( 2.606 -1.312 1.010) 3.087 10.847 ( -0.523 3.831 -0.503) 3.899 10.847 ( -0.523 3.831 0.503) 3.899 10.910 ( -1.082 -1.194 -0.785) 1.793 10.910 ( -1.082 -1.194 0.785) 1.793 10.973 ( 0.639 -1.128 -0.941) 1.602 10.973 ( 0.639 -1.128 0.941) 1.602 11.045 ( 1.529 -1.884 -2.061) 3.183 11.045 ( 1.529 -1.884 2.061) 3.183 11.240 ( 0.045 3.790 -1.221) 3.982 11.240 ( 0.045 3.790 1.221) 3.982 11.314 ( -0.420 4.530 -1.714) 4.862 11.314 ( -0.420 4.530 1.714) 4.862 11.392 ( 1.552 1.502 -1.737) 2.772 11.392 ( 1.552 1.502 1.737) 2.772 11.584 ( -2.450 -3.053 -3.015) 4.941 11.584 ( -2.450 -3.053 3.015) 4.941 ======================= Grid point 64 (24/27) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 9.927 3.735 -14.376) 17.865 1.293 ( 9.927 3.735 14.376) 17.865 1.442 ( 1.215 3.886 -7.102) 8.186 1.442 ( 1.215 3.886 7.102) 8.186 1.520 ( 1.228 2.942 -5.566) 6.414 1.520 ( 1.228 2.942 5.566) 6.414 1.674 ( -7.779 0.294 -2.817) 8.278 1.674 ( -7.779 0.294 2.817) 8.278 1.749 ( -1.608 -4.829 -1.852) 5.416 1.749 ( -1.608 -4.829 1.852) 5.416 1.804 ( -6.864 -4.641 -2.279) 8.594 1.804 ( -6.864 -4.641 2.279) 8.594 1.940 ( 4.828 -7.123 -6.551) 10.815 1.940 ( 4.828 -7.123 6.551) 10.815 2.026 ( -2.732 -4.832 -5.782) 8.016 2.026 ( -2.732 -4.832 5.782) 8.016 2.119 ( 2.545 -2.666 -2.697) 4.567 2.119 ( 2.545 -2.666 2.697) 4.567 2.140 ( -0.302 -2.575 -4.356) 5.069 2.140 ( -0.302 -2.575 4.356) 5.069 2.293 ( 1.145 1.446 -1.864) 2.622 2.293 ( 1.145 1.446 1.864) 2.622 2.317 ( -0.699 0.893 -4.849) 4.979 2.317 ( -0.699 0.893 4.849) 4.979 2.419 ( 2.615 2.585 -1.168) 3.858 2.419 ( 2.615 2.585 1.168) 3.858 2.444 ( -0.008 2.541 -0.477) 2.585 2.444 ( -0.008 2.541 0.477) 2.585 2.541 ( 5.521 1.469 -5.446) 7.893 2.541 ( 5.521 1.469 5.446) 7.893 2.560 ( 1.801 0.352 -2.221) 2.881 2.560 ( 1.801 0.352 2.221) 2.881 2.599 ( 2.225 2.118 -5.171) 6.015 2.599 ( 2.225 2.118 5.171) 6.015 2.640 ( 1.396 -1.411 -1.540) 2.513 2.640 ( 1.396 -1.411 1.540) 2.513 2.684 ( 3.368 0.463 -1.621) 3.766 2.684 ( 3.368 0.463 1.621) 3.766 2.737 ( -1.013 -1.507 -1.931) 2.651 2.737 ( -1.013 -1.507 1.931) 2.651 2.746 ( -1.453 1.191 -3.630) 4.087 2.746 ( -1.453 1.191 3.630) 4.087 2.790 ( -1.859 0.183 -2.419) 3.056 2.790 ( -1.859 0.183 2.419) 3.056 2.855 ( 2.094 2.412 -1.192) 3.409 2.855 ( 2.094 2.412 1.192) 3.409 2.885 ( 1.759 0.667 -1.083) 2.171 2.885 ( 1.759 0.667 1.083) 2.171 2.957 ( 0.010 0.219 -2.866) 2.874 2.957 ( 0.010 0.219 2.866) 2.874 2.982 ( -0.840 0.499 -1.392) 1.701 2.982 ( -0.840 0.499 1.392) 1.701 3.030 ( 1.142 -0.451 -1.714) 2.108 3.030 ( 1.142 -0.451 1.714) 2.108 3.067 ( -0.420 -1.380 -1.358) 1.981 3.067 ( -0.420 -1.380 1.358) 1.981 3.115 ( 1.096 1.359 -2.232) 2.834 3.115 ( 1.096 1.359 2.232) 2.834 3.177 ( -4.670 3.805 -4.959) 7.802 3.177 ( -4.670 3.805 4.959) 7.802 3.206 ( 4.805 0.006 -5.830) 7.554 3.206 ( 4.805 0.006 5.830) 7.554 3.312 ( -4.014 -1.348 -5.293) 6.779 3.312 ( -4.014 -1.348 5.293) 6.779 3.449 ( 5.575 -0.231 -0.618) 5.614 3.449 ( 5.575 -0.231 0.618) 5.614 3.530 ( -0.843 0.657 -2.119) 2.373 3.530 ( -0.843 0.657 2.119) 2.373 3.573 ( 2.270 2.695 -0.818) 3.617 3.573 ( 2.270 2.695 0.818) 3.617 3.656 ( 4.569 -2.293 -1.797) 5.419 3.656 ( 4.569 -2.293 1.797) 5.419 3.688 ( -4.906 -1.815 -0.904) 5.308 3.688 ( -4.906 -1.815 0.904) 5.308 3.743 ( -4.106 -0.767 -1.724) 4.519 3.743 ( -4.106 -0.767 1.724) 4.519 3.892 ( 1.176 -2.196 -0.600) 2.562 3.892 ( 1.176 -2.196 0.600) 2.562 3.946 ( -1.666 -4.981 -2.472) 5.805 3.946 ( -1.666 -4.981 2.472) 5.805 4.066 ( 1.619 1.045 -0.835) 2.100 4.066 ( 1.619 1.045 0.835) 2.100 4.105 ( -2.235 -0.218 -2.149) 3.108 4.105 ( -2.235 -0.218 2.149) 3.108 4.162 ( 0.751 1.324 -0.333) 1.558 4.162 ( 0.751 1.324 0.333) 1.558 4.223 ( -5.542 -1.774 -1.470) 6.002 4.223 ( -5.542 -1.774 1.470) 6.002 4.340 ( 0.380 3.754 -4.149) 5.608 4.340 ( 0.380 3.754 4.149) 5.608 4.369 ( -2.175 4.120 -5.529) 7.230 4.369 ( -2.175 4.120 5.529) 7.230 4.456 ( 1.026 -0.061 -4.004) 4.134 4.456 ( 1.026 -0.061 4.004) 4.134 4.499 ( -2.723 -0.749 -5.218) 5.933 4.499 ( -2.723 -0.749 5.218) 5.933 4.528 ( 1.712 0.806 -1.606) 2.481 4.528 ( 1.712 0.806 1.606) 2.481 4.569 ( -2.323 -0.609 -3.220) 4.017 4.569 ( -2.323 -0.609 3.220) 4.017 4.630 ( 2.197 0.311 -0.780) 2.352 4.630 ( 2.197 0.311 0.780) 2.352 4.688 ( -2.891 -1.564 -0.520) 3.328 4.688 ( -2.891 -1.564 0.520) 3.328 4.782 ( 0.397 1.699 -3.255) 3.693 4.782 ( 0.397 1.699 3.255) 3.693 4.835 ( -4.220 -0.149 -2.402) 4.858 4.835 ( -4.220 -0.149 2.402) 4.858 5.087 ( 1.513 0.534 -1.217) 2.014 5.087 ( 1.513 0.534 1.217) 2.014 5.115 ( -1.234 -0.517 -1.395) 1.933 5.115 ( -1.234 -0.517 1.395) 1.933 5.325 ( 1.302 1.006 -4.412) 4.709 5.325 ( 1.302 1.006 4.412) 4.709 5.359 ( -2.334 -0.246 -1.374) 2.719 5.359 ( -2.334 -0.246 1.374) 2.719 5.525 ( 2.507 0.415 -2.694) 3.703 5.525 ( 2.507 0.415 2.694) 3.703 5.562 ( -0.757 -0.854 -1.836) 2.161 5.562 ( -0.757 -0.854 1.836) 2.161 5.710 ( -0.717 0.195 -1.013) 1.256 5.710 ( -0.717 0.195 1.013) 1.256 5.727 ( -2.154 -0.170 -1.441) 2.598 5.727 ( -2.154 -0.170 1.441) 2.598 5.841 ( 2.768 0.832 -0.737) 2.983 5.841 ( 2.768 0.832 0.737) 2.983 5.893 ( -2.447 -2.075 -1.586) 3.579 5.893 ( -2.447 -2.075 1.586) 3.579 6.013 ( 1.207 0.420 -1.494) 1.966 6.013 ( 1.207 0.420 1.494) 1.966 6.046 ( 2.566 -0.704 -1.585) 3.097 6.046 ( 2.566 -0.704 1.585) 3.097 6.085 ( -4.303 1.081 -2.016) 4.873 6.085 ( -4.303 1.081 2.016) 4.873 6.133 ( -5.086 -0.663 -1.143) 5.255 6.133 ( -5.086 -0.663 1.143) 5.255 6.585 ( 1.582 1.585 -1.853) 2.907 6.585 ( 1.582 1.585 1.853) 2.907 6.592 ( 0.929 1.469 -1.505) 2.299 6.592 ( 0.929 1.469 1.505) 2.299 6.673 ( 3.147 -0.276 -0.854) 3.272 6.673 ( 3.147 -0.276 0.854) 3.272 6.723 ( -1.959 -1.614 -0.839) 2.673 6.723 ( -1.959 -1.614 0.839) 2.673 7.399 ( 2.658 1.431 -0.320) 3.036 7.399 ( 2.658 1.431 0.320) 3.036 7.434 ( -1.093 0.703 -0.929) 1.598 7.434 ( -1.093 0.703 0.929) 1.598 7.521 ( 2.364 -2.428 -0.327) 3.404 7.521 ( 2.364 -2.428 0.327) 3.404 7.534 ( 1.258 -2.854 -0.919) 3.251 7.534 ( 1.258 -2.854 0.919) 3.251 8.660 ( -0.186 -0.094 -1.069) 1.089 8.660 ( -0.186 -0.094 1.069) 1.089 8.663 ( -0.340 -0.202 -0.700) 0.804 8.663 ( -0.340 -0.202 0.700) 0.804 8.676 ( 0.268 -0.178 -0.873) 0.931 8.676 ( 0.268 -0.178 0.873) 0.931 8.686 ( -0.757 -0.531 -0.541) 1.071 8.686 ( -0.757 -0.531 0.541) 1.071 8.778 ( 0.639 0.744 -0.213) 1.004 8.778 ( 0.639 0.744 0.213) 1.004 8.783 ( 0.173 0.595 -1.180) 1.333 8.783 ( 0.173 0.595 1.180) 1.333 8.968 ( 1.641 0.340 -1.474) 2.232 8.968 ( 1.641 0.340 1.474) 2.232 8.978 ( 0.613 -0.060 -0.639) 0.887 8.978 ( 0.613 -0.060 0.639) 0.887 9.081 ( 2.835 1.588 -2.604) 4.164 9.081 ( 2.835 1.588 2.604) 4.164 9.119 ( -1.152 0.693 -0.136) 1.352 9.119 ( -1.152 0.693 0.136) 1.352 9.221 ( 2.187 -1.220 -5.524) 6.065 9.221 ( 2.187 -1.220 5.524) 6.065 9.239 ( 0.428 -2.197 -2.048) 3.034 9.239 ( 0.428 -2.197 2.048) 3.034 9.555 ( -0.522 0.718 -0.716) 1.140 9.555 ( -0.522 0.718 0.716) 1.140 9.604 ( -5.755 -1.291 -4.024) 7.140 9.604 ( -5.755 -1.291 4.024) 7.140 9.809 ( 1.098 -1.507 -1.510) 2.400 9.809 ( 1.098 -1.507 1.510) 2.400 9.832 ( -1.397 -2.157 -0.879) 2.716 9.832 ( -1.397 -2.157 0.879) 2.716 10.018 ( 2.854 3.067 -2.724) 4.997 10.018 ( 2.854 3.067 2.724) 4.997 10.064 ( -1.793 2.598 -1.756) 3.612 10.064 ( -1.793 2.598 1.756) 3.612 10.305 ( 1.257 -1.679 -0.817) 2.251 10.305 ( 1.257 -1.679 0.817) 2.251 10.339 ( -1.879 -2.493 -1.009) 3.281 10.339 ( -1.879 -2.493 1.009) 3.281 10.460 ( 0.334 0.476 -1.384) 1.501 10.460 ( 0.334 0.476 1.384) 1.501 10.466 ( -0.345 0.167 -1.548) 1.595 10.466 ( -0.345 0.167 1.548) 1.595 10.614 ( 3.331 -2.577 -1.768) 4.568 10.614 ( 3.331 -2.577 1.768) 4.568 10.652 ( -0.473 -2.846 -1.370) 3.194 10.652 ( -0.473 -2.846 1.370) 3.194 10.848 ( 0.727 2.886 -0.861) 3.098 10.848 ( 0.727 2.886 0.861) 3.098 10.874 ( -2.056 1.316 -0.795) 2.567 10.874 ( -2.056 1.316 0.795) 2.567 11.011 ( 2.604 -0.332 -0.391) 2.654 11.011 ( 2.604 -0.332 0.391) 2.654 11.048 ( -1.202 -0.914 -0.690) 1.660 11.048 ( -1.202 -0.914 0.690) 1.660 11.254 ( 1.505 4.305 -0.823) 4.635 11.254 ( 1.505 4.305 0.823) 4.635 11.288 ( -1.995 5.318 -0.996) 5.767 11.288 ( -1.995 5.318 0.996) 5.767 11.447 ( 4.047 -2.030 -0.530) 4.558 11.447 ( 4.047 -2.030 0.530) 4.558 11.523 ( -4.081 -2.962 -1.758) 5.341 11.523 ( -4.081 -2.962 1.758) 5.341 ======================= Grid point 70 (25/27) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.000 -4.480 -6.261) 7.699 1.379 ( 0.000 4.480 -6.261) 7.699 1.379 ( 0.000 -4.480 6.261) 7.699 1.379 ( 0.000 4.480 6.261) 7.699 1.490 ( 0.000 -0.988 -6.295) 6.372 1.490 ( 0.000 0.988 -6.295) 6.372 1.490 ( 0.000 -0.988 6.295) 6.372 1.490 ( 0.000 0.988 6.295) 6.372 1.899 ( 0.000 -0.910 -3.087) 3.219 1.899 ( 0.000 0.910 -3.087) 3.219 1.899 ( 0.000 -0.910 3.087) 3.219 1.899 ( 0.000 0.910 3.087) 3.219 1.977 ( 0.000 -0.823 -4.139) 4.220 1.977 ( 0.000 0.823 -4.139) 4.220 1.977 ( 0.000 -0.823 4.139) 4.220 1.977 ( 0.000 0.823 4.139) 4.220 2.137 ( 0.000 -1.635 -2.495) 2.983 2.137 ( 0.000 1.635 -2.495) 2.983 2.137 ( 0.000 -1.635 2.495) 2.983 2.137 ( 0.000 1.635 2.495) 2.983 2.225 ( 0.000 -0.131 -6.428) 6.429 2.225 ( 0.000 0.131 -6.428) 6.429 2.225 ( 0.000 -0.131 6.428) 6.429 2.225 ( 0.000 0.131 6.428) 6.429 2.344 ( 0.000 -7.416 -14.255) 16.069 2.344 ( 0.000 7.416 -14.255) 16.069 2.344 ( 0.000 -7.416 14.255) 16.069 2.344 ( 0.000 7.416 14.255) 16.069 2.464 ( 0.000 -4.054 -0.358) 4.070 2.464 ( 0.000 -4.054 0.358) 4.070 2.464 ( 0.000 4.054 -0.358) 4.070 2.464 ( 0.000 4.054 0.358) 4.070 2.577 ( 0.000 -0.036 -3.532) 3.532 2.577 ( 0.000 0.036 -3.532) 3.532 2.577 ( 0.000 -0.036 3.532) 3.532 2.577 ( 0.000 0.036 3.532) 3.532 2.655 ( 0.000 -0.750 -2.798) 2.897 2.655 ( 0.000 0.750 -2.798) 2.897 2.655 ( 0.000 -0.750 2.798) 2.897 2.655 ( 0.000 0.750 2.798) 2.897 2.794 ( 0.000 -1.579 -2.582) 3.026 2.794 ( 0.000 1.579 -2.582) 3.026 2.794 ( 0.000 -1.579 2.582) 3.026 2.794 ( 0.000 1.579 2.582) 3.026 2.837 ( 0.000 -0.198 -1.565) 1.577 2.837 ( 0.000 0.198 -1.565) 1.577 2.837 ( 0.000 -0.198 1.565) 1.577 2.837 ( 0.000 0.198 1.565) 1.577 2.933 ( 0.000 -4.346 -4.237) 6.070 2.933 ( 0.000 4.346 -4.237) 6.070 2.933 ( 0.000 -4.346 4.237) 6.070 2.933 ( 0.000 4.346 4.237) 6.070 3.029 ( 0.000 -3.469 -5.230) 6.276 3.029 ( 0.000 3.469 -5.230) 6.276 3.029 ( 0.000 -3.469 5.230) 6.276 3.029 ( 0.000 3.469 5.230) 6.276 3.120 ( 0.000 -1.693 -4.471) 4.781 3.120 ( 0.000 1.693 -4.471) 4.781 3.120 ( 0.000 -1.693 4.471) 4.781 3.120 ( 0.000 1.693 4.471) 4.781 3.265 ( 0.000 -2.487 -6.966) 7.397 3.265 ( 0.000 2.487 -6.966) 7.397 3.265 ( 0.000 -2.487 6.966) 7.397 3.265 ( 0.000 2.487 6.966) 7.397 3.438 ( 0.000 -1.711 -1.541) 2.303 3.438 ( 0.000 1.711 -1.541) 2.303 3.438 ( 0.000 -1.711 1.541) 2.303 3.438 ( 0.000 1.711 1.541) 2.303 3.591 ( 0.000 -4.787 -4.360) 6.475 3.591 ( 0.000 4.787 -4.360) 6.475 3.591 ( 0.000 -4.787 4.360) 6.475 3.591 ( 0.000 4.787 4.360) 6.475 3.890 ( 0.000 -0.216 -2.059) 2.070 3.890 ( 0.000 0.216 -2.059) 2.070 3.890 ( 0.000 -0.216 2.059) 2.070 3.890 ( 0.000 0.216 2.059) 2.070 3.923 ( 0.000 -1.778 -1.793) 2.525 3.923 ( 0.000 1.778 -1.793) 2.525 3.923 ( 0.000 -1.778 1.793) 2.525 3.923 ( 0.000 1.778 1.793) 2.525 4.049 ( 0.000 -3.883 -0.363) 3.900 4.049 ( 0.000 -3.883 0.363) 3.900 4.049 ( 0.000 3.883 -0.363) 3.900 4.049 ( 0.000 3.883 0.363) 3.900 4.285 ( 0.000 -1.945 -5.073) 5.433 4.285 ( 0.000 1.945 -5.073) 5.433 4.285 ( 0.000 -1.945 5.073) 5.433 4.285 ( 0.000 1.945 5.073) 5.433 4.396 ( 0.000 -1.801 -5.193) 5.496 4.396 ( 0.000 1.801 -5.193) 5.496 4.396 ( 0.000 -1.801 5.193) 5.496 4.396 ( 0.000 1.801 5.193) 5.496 4.510 ( 0.000 -1.053 -4.192) 4.323 4.510 ( 0.000 1.053 -4.192) 4.323 4.510 ( 0.000 -1.053 4.192) 4.323 4.510 ( 0.000 1.053 4.192) 4.323 4.568 ( 0.000 -1.037 -4.316) 4.439 4.568 ( 0.000 1.037 -4.316) 4.439 4.568 ( 0.000 -1.037 4.316) 4.439 4.568 ( 0.000 1.037 4.316) 4.439 4.706 ( 0.000 -1.224 -5.605) 5.737 4.706 ( 0.000 1.224 -5.605) 5.737 4.706 ( 0.000 -1.224 5.605) 5.737 4.706 ( 0.000 1.224 5.605) 5.737 4.894 ( 0.000 -2.320 -1.687) 2.868 4.894 ( 0.000 2.320 -1.687) 2.868 4.894 ( 0.000 -2.320 1.687) 2.868 4.894 ( 0.000 2.320 1.687) 2.868 5.086 ( 0.000 -0.311 -1.498) 1.530 5.086 ( 0.000 0.311 -1.498) 1.530 5.086 ( 0.000 -0.311 1.498) 1.530 5.086 ( 0.000 0.311 1.498) 1.530 5.367 ( 0.000 -2.000 -1.800) 2.690 5.367 ( 0.000 2.000 -1.800) 2.690 5.367 ( 0.000 -2.000 1.800) 2.690 5.367 ( 0.000 2.000 1.800) 2.690 5.524 ( 0.000 -0.814 -1.795) 1.971 5.524 ( 0.000 0.814 -1.795) 1.971 5.524 ( 0.000 -0.814 1.795) 1.971 5.524 ( 0.000 0.814 1.795) 1.971 5.734 ( 0.000 -1.446 -1.476) 2.066 5.734 ( 0.000 1.446 -1.476) 2.066 5.734 ( 0.000 -1.446 1.476) 2.066 5.734 ( 0.000 1.446 1.476) 2.066 5.889 ( 0.000 -3.105 -2.901) 4.249 5.889 ( 0.000 3.105 -2.901) 4.249 5.889 ( 0.000 -3.105 2.901) 4.249 5.889 ( 0.000 3.105 2.901) 4.249 6.042 ( 0.000 -1.433 -3.447) 3.733 6.042 ( 0.000 1.433 -3.447) 3.733 6.042 ( 0.000 -1.433 3.447) 3.733 6.042 ( 0.000 1.433 3.447) 3.733 6.274 ( 0.000 -3.989 -4.740) 6.196 6.274 ( 0.000 3.989 -4.740) 6.196 6.274 ( 0.000 -3.989 4.740) 6.196 6.274 ( 0.000 3.989 4.740) 6.196 6.526 ( 0.000 -0.409 -0.626) 0.748 6.526 ( 0.000 0.409 -0.626) 0.748 6.526 ( 0.000 -0.409 0.626) 0.748 6.526 ( 0.000 0.409 0.626) 0.748 6.630 ( 0.000 -1.796 -0.297) 1.821 6.630 ( 0.000 -1.796 0.297) 1.821 6.630 ( 0.000 1.796 -0.297) 1.821 6.630 ( 0.000 1.796 0.297) 1.821 7.357 ( 0.000 -1.858 -0.406) 1.902 7.357 ( 0.000 -1.858 0.406) 1.902 7.357 ( 0.000 1.858 -0.406) 1.902 7.357 ( 0.000 1.858 0.406) 1.902 7.450 ( 0.000 -0.256 -1.469) 1.492 7.450 ( 0.000 0.256 -1.469) 1.492 7.450 ( 0.000 -0.256 1.469) 1.492 7.450 ( 0.000 0.256 1.469) 1.492 8.666 ( 0.000 -0.463 -1.557) 1.624 8.666 ( 0.000 0.463 -1.557) 1.624 8.666 ( 0.000 -0.463 1.557) 1.624 8.666 ( 0.000 0.463 1.557) 1.624 8.684 ( 0.000 -0.577 -1.070) 1.216 8.684 ( 0.000 0.577 -1.070) 1.216 8.684 ( 0.000 -0.577 1.070) 1.216 8.684 ( 0.000 0.577 1.070) 1.216 8.775 ( 0.000 -0.315 -2.005) 2.029 8.775 ( 0.000 0.315 -2.005) 2.029 8.775 ( 0.000 -0.315 2.005) 2.029 8.775 ( 0.000 0.315 2.005) 2.029 8.917 ( 0.000 -0.621 -1.776) 1.881 8.917 ( 0.000 0.621 -1.776) 1.881 8.917 ( 0.000 -0.621 1.776) 1.881 8.917 ( 0.000 0.621 1.776) 1.881 9.065 ( 0.000 -3.022 -3.534) 4.650 9.065 ( 0.000 3.022 -3.534) 4.650 9.065 ( 0.000 -3.022 3.534) 4.650 9.065 ( 0.000 3.022 3.534) 4.650 9.178 ( 0.000 -0.781 -11.146) 11.173 9.178 ( 0.000 0.781 -11.146) 11.173 9.178 ( 0.000 -0.781 11.146) 11.173 9.178 ( 0.000 0.781 11.146) 11.173 9.707 ( 0.000 -4.713 -6.429) 7.971 9.707 ( 0.000 4.713 -6.429) 7.971 9.707 ( 0.000 -4.713 6.429) 7.971 9.707 ( 0.000 4.713 6.429) 7.971 9.808 ( 0.000 -1.888 -4.543) 4.920 9.808 ( 0.000 1.888 -4.543) 4.920 9.808 ( 0.000 -1.888 4.543) 4.920 9.808 ( 0.000 1.888 4.543) 4.920 9.998 ( 0.000 -2.242 -2.701) 3.510 9.998 ( 0.000 2.242 -2.701) 3.510 9.998 ( 0.000 -2.242 2.701) 3.510 9.998 ( 0.000 2.242 2.701) 3.510 10.317 ( 0.000 -0.003 -1.672) 1.672 10.317 ( 0.000 0.003 -1.672) 1.672 10.317 ( 0.000 -0.003 1.672) 1.672 10.317 ( 0.000 0.003 1.672) 1.672 10.484 ( 0.000 -0.147 -1.425) 1.432 10.484 ( 0.000 0.147 -1.425) 1.432 10.484 ( 0.000 -0.147 1.425) 1.432 10.484 ( 0.000 0.147 1.425) 1.432 10.585 ( 0.000 -0.002 -3.044) 3.044 10.585 ( 0.000 0.002 -3.044) 3.044 10.585 ( 0.000 -0.002 3.044) 3.044 10.585 ( 0.000 0.002 3.044) 3.044 10.886 ( 0.000 -1.379 -1.575) 2.094 10.886 ( 0.000 1.379 -1.575) 2.094 10.886 ( 0.000 -1.379 1.575) 2.094 10.886 ( 0.000 1.379 1.575) 2.094 10.981 ( 0.000 -3.226 -0.281) 3.238 10.981 ( 0.000 -3.226 0.281) 3.238 10.981 ( 0.000 3.226 -0.281) 3.238 10.981 ( 0.000 3.226 0.281) 3.238 11.299 ( 0.000 -1.816 -1.323) 2.247 11.299 ( 0.000 1.816 -1.323) 2.247 11.299 ( 0.000 -1.816 1.323) 2.247 11.299 ( 0.000 1.816 1.323) 2.247 11.517 ( 0.000 -5.844 -5.977) 8.359 11.517 ( 0.000 5.844 -5.977) 8.359 11.517 ( 0.000 -5.844 5.977) 8.359 11.517 ( 0.000 5.844 5.977) 8.359 ======================= Grid point 74 (26/27) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 23 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.711 -11.580 -10.724) 15.799 1.381 ( 0.711 11.501 -10.687) 15.716 1.381 ( 0.711 -11.501 10.687) 15.716 1.381 ( 0.711 11.580 10.724) 15.799 1.540 ( 5.149 -12.253 -13.346) 18.835 1.540 ( 5.149 11.803 -13.164) 18.415 1.540 ( 5.149 -11.803 13.164) 18.415 1.540 ( 5.149 12.253 13.346) 18.835 1.806 ( -7.644 -0.535 -4.776) 9.029 1.806 ( -7.644 0.314 -4.767) 9.014 1.806 ( -7.644 -0.314 4.767) 9.014 1.806 ( -7.644 0.535 4.776) 9.029 1.983 ( -0.212 -1.694 -4.419) 4.737 1.983 ( -0.212 0.476 -4.284) 4.315 1.983 ( -0.212 -0.476 4.284) 4.315 1.983 ( -0.212 1.694 4.419) 4.737 2.129 ( -4.173 -4.857 -0.630) 6.434 2.129 ( -4.173 -4.825 0.512) 6.400 2.129 ( -4.173 4.825 -0.512) 6.400 2.129 ( -4.173 4.857 0.630) 6.434 2.256 ( 5.235 -2.831 -4.363) 7.380 2.256 ( 5.235 1.900 -4.133) 6.935 2.256 ( 5.235 -1.900 4.133) 6.935 2.256 ( 5.235 2.831 4.363) 7.380 2.419 ( 6.404 -4.183 -9.352) 12.082 2.419 ( 6.404 2.957 -9.142) 11.547 2.419 ( 6.404 -2.957 9.142) 11.547 2.419 ( 6.404 4.183 9.352) 12.082 2.482 ( 1.701 -3.426 -1.456) 4.093 2.482 ( 1.701 -2.912 0.821) 3.471 2.482 ( 1.701 2.912 -0.821) 3.471 2.482 ( 1.701 3.426 1.456) 4.093 2.584 ( 1.609 -0.706 -4.961) 5.263 2.584 ( 1.609 0.694 -4.960) 5.260 2.584 ( 1.609 -0.694 4.960) 5.260 2.584 ( 1.609 0.706 4.961) 5.263 2.677 ( 2.162 -1.398 -3.724) 4.527 2.677 ( 2.162 0.365 -3.613) 4.226 2.677 ( 2.162 -0.365 3.613) 4.226 2.677 ( 2.162 1.398 3.724) 4.527 2.785 ( -0.962 -0.842 -1.738) 2.158 2.785 ( -0.962 0.111 -1.647) 1.911 2.785 ( -0.962 -0.111 1.647) 1.911 2.785 ( -0.962 0.842 1.738) 2.158 2.865 ( 2.222 -1.374 -1.793) 3.168 2.865 ( 2.222 -1.237 -1.749) 3.086 2.865 ( 2.222 1.237 1.749) 3.086 2.865 ( 2.222 1.374 1.793) 3.168 2.923 ( -0.110 -4.238 -3.670) 5.608 2.923 ( -0.110 4.160 -3.630) 5.522 2.923 ( -0.110 -4.160 3.630) 5.522 2.923 ( -0.110 4.238 3.670) 5.608 3.053 ( 0.724 -2.232 -4.298) 4.897 3.053 ( 0.724 2.193 -4.289) 4.871 3.053 ( 0.724 -2.193 4.289) 4.871 3.053 ( 0.724 2.232 4.298) 4.897 3.118 ( 1.107 -0.798 -4.975) 5.159 3.118 ( 1.107 0.756 -4.972) 5.149 3.118 ( 1.107 -0.756 4.972) 5.149 3.118 ( 1.107 0.798 4.975) 5.159 3.290 ( 2.171 -2.594 -4.511) 5.639 3.290 ( 2.171 1.776 -4.332) 5.160 3.290 ( 2.171 -1.776 4.332) 5.160 3.290 ( 2.171 2.594 4.511) 5.639 3.432 ( -0.196 -3.049 -2.454) 3.918 3.432 ( -0.196 -0.944 -1.512) 1.793 3.432 ( -0.196 0.944 1.512) 1.793 3.432 ( -0.196 3.049 2.454) 3.918 3.599 ( 1.126 -3.535 -4.530) 5.856 3.599 ( 1.126 3.493 -4.516) 5.819 3.599 ( 1.126 -3.493 4.516) 5.819 3.599 ( 1.126 3.535 4.530) 5.856 3.816 ( -7.039 -3.846 -1.705) 8.201 3.816 ( -7.039 -2.960 -0.476) 7.651 3.816 ( -7.039 2.960 0.476) 7.651 3.816 ( -7.039 3.846 1.705) 8.201 3.915 ( -0.813 -0.884 -3.076) 3.302 3.915 ( -0.813 0.725 -3.057) 3.245 3.915 ( -0.813 -0.725 3.057) 3.245 3.915 ( -0.813 0.884 3.076) 3.302 4.068 ( 1.249 -1.735 -1.814) 2.803 4.068 ( 1.249 1.415 -1.686) 2.531 4.068 ( 1.249 -1.415 1.686) 2.531 4.068 ( 1.249 1.735 1.814) 2.803 4.265 ( -2.541 -2.896 -3.184) 4.998 4.265 ( -2.541 0.210 -2.536) 3.596 4.265 ( -2.541 -0.210 2.536) 3.596 4.265 ( -2.541 2.896 3.184) 4.998 4.406 ( 0.267 -2.882 -3.771) 4.754 4.406 ( 0.267 0.737 -3.283) 3.375 4.406 ( 0.267 -0.737 3.283) 3.375 4.406 ( 0.267 2.882 3.771) 4.754 4.491 ( -2.035 -2.634 -0.527) 3.370 4.491 ( -2.035 -2.599 0.444) 3.331 4.491 ( -2.035 2.599 -0.444) 3.331 4.491 ( -2.035 2.634 0.527) 3.370 4.546 ( -0.606 -1.505 -0.442) 1.682 4.546 ( -0.606 -1.484 0.409) 1.654 4.546 ( -0.606 1.484 -0.409) 1.654 4.546 ( -0.606 1.505 0.442) 1.682 4.682 ( -2.383 -1.821 -5.179) 5.985 4.682 ( -2.383 1.579 -5.144) 5.885 4.682 ( -2.383 -1.579 5.144) 5.885 4.682 ( -2.383 1.821 5.179) 5.985 4.872 ( -2.363 -1.640 -2.720) 3.959 4.872 ( -2.363 -0.351 -2.502) 3.459 4.872 ( -2.363 0.351 2.502) 3.459 4.872 ( -2.363 1.640 2.720) 3.959 5.092 ( 0.500 -1.372 -0.531) 1.553 5.092 ( 0.500 -1.131 0.120) 1.243 5.092 ( 0.500 1.131 -0.120) 1.243 5.092 ( 0.500 1.372 0.531) 1.553 5.358 ( -0.776 -1.893 -4.132) 4.611 5.358 ( -0.776 1.481 -4.057) 4.388 5.358 ( -0.776 -1.481 4.057) 4.388 5.358 ( -0.776 1.893 4.132) 4.611 5.528 ( 0.488 -1.407 -0.842) 1.711 5.528 ( 0.488 -0.646 -0.126) 0.820 5.528 ( 0.488 0.646 0.126) 0.820 5.528 ( 0.488 1.407 0.842) 1.711 5.741 ( 0.094 -0.673 -0.895) 1.124 5.741 ( 0.094 -0.246 -0.791) 0.834 5.741 ( 0.094 0.246 0.791) 0.834 5.741 ( 0.094 0.673 0.895) 1.124 5.878 ( -1.238 -2.819 -4.096) 5.124 5.878 ( -1.238 2.277 -3.943) 4.719 5.878 ( -1.238 -2.277 3.943) 4.719 5.878 ( -1.238 2.819 4.096) 5.124 6.012 ( -1.657 -1.623 -2.133) 3.151 6.012 ( -1.657 1.354 -2.047) 2.961 6.012 ( -1.657 -1.354 2.047) 2.961 6.012 ( -1.657 1.623 2.133) 3.151 6.210 ( -5.403 -1.590 -4.048) 6.936 6.210 ( -5.403 0.938 -3.956) 6.762 6.210 ( -5.403 -0.938 3.956) 6.762 6.210 ( -5.403 1.590 4.048) 6.936 6.561 ( 2.982 -0.354 -1.108) 3.201 6.561 ( 2.982 0.331 -1.105) 3.198 6.561 ( 2.982 -0.331 1.105) 3.198 6.561 ( 2.982 0.354 1.108) 3.201 6.661 ( 2.274 -3.001 -0.378) 3.784 6.661 ( 2.274 -2.998 0.366) 3.781 6.661 ( 2.274 2.998 -0.366) 3.781 6.661 ( 2.274 3.001 0.378) 3.784 7.389 ( 2.944 -2.453 -0.325) 3.846 7.389 ( 2.944 -2.450 0.314) 3.843 7.389 ( 2.944 2.450 -0.314) 3.843 7.389 ( 2.944 2.453 0.325) 3.846 7.465 ( 1.442 -0.542 -1.207) 1.957 7.465 ( 1.442 0.538 -1.206) 1.956 7.465 ( 1.442 -0.538 1.206) 1.956 7.465 ( 1.442 0.542 1.207) 1.957 8.665 ( -0.143 -0.158 -1.398) 1.414 8.665 ( -0.143 0.137 -1.397) 1.411 8.665 ( -0.143 -0.137 1.397) 1.411 8.665 ( -0.143 0.158 1.398) 1.414 8.682 ( -0.286 -0.574 -0.682) 0.936 8.682 ( -0.286 0.066 -0.566) 0.637 8.682 ( -0.286 -0.066 0.566) 0.637 8.682 ( -0.286 0.574 0.682) 0.936 8.779 ( 0.487 -0.305 -1.692) 1.787 8.779 ( 0.487 0.303 -1.692) 1.786 8.779 ( 0.487 -0.303 1.692) 1.786 8.779 ( 0.487 0.305 1.692) 1.787 8.941 ( 2.175 -0.418 -2.135) 3.076 8.941 ( 2.175 0.271 -2.124) 3.053 8.941 ( 2.175 -0.271 2.124) 3.053 8.941 ( 2.175 0.418 2.135) 3.076 9.083 ( 1.897 -2.569 -3.876) 5.022 9.083 ( 1.897 1.267 -3.578) 4.243 9.083 ( 1.897 -1.267 3.578) 4.243 9.083 ( 1.897 2.569 3.876) 5.022 9.186 ( 0.841 -0.787 -11.197) 11.256 9.186 ( 0.841 0.769 -11.196) 11.254 9.186 ( 0.841 -0.769 11.196) 11.254 9.186 ( 0.841 0.787 11.197) 11.256 9.654 ( -4.803 -3.555 -5.392) 8.049 9.654 ( -4.803 3.460 -5.365) 7.989 9.654 ( -4.803 -3.460 5.365) 7.989 9.654 ( -4.803 3.555 5.392) 8.049 9.805 ( -0.269 -1.808 -3.413) 3.871 9.805 ( -0.269 1.770 -3.404) 3.846 9.805 ( -0.269 -1.770 3.404) 3.846 9.805 ( -0.269 1.808 3.413) 3.871 10.030 ( 2.818 -2.912 -3.382) 5.278 10.030 ( 2.818 2.752 -3.322) 5.153 10.030 ( 2.818 -2.752 3.322) 5.153 10.030 ( 2.818 2.912 3.382) 5.278 10.315 ( -0.532 -0.947 -1.057) 1.516 10.315 ( -0.532 -0.027 -0.848) 1.001 10.315 ( -0.532 0.027 0.848) 1.001 10.315 ( -0.532 0.947 1.057) 1.516 10.471 ( -0.770 -0.722 -0.839) 1.348 10.471 ( -0.770 0.435 -0.746) 1.157 10.471 ( -0.770 -0.435 0.746) 1.157 10.471 ( -0.770 0.722 0.839) 1.348 10.592 ( 0.401 -2.382 -2.196) 3.265 10.592 ( 0.401 -0.157 -1.520) 1.580 10.592 ( 0.401 0.157 1.520) 1.580 10.592 ( 0.401 2.382 2.196) 3.265 10.898 ( 1.170 -3.355 -1.137) 3.730 10.898 ( 1.170 -3.046 0.645) 3.326 10.898 ( 1.170 3.046 -0.645) 3.326 10.898 ( 1.170 3.355 1.137) 3.730 10.984 ( 0.292 -4.183 -0.416) 4.214 10.984 ( 0.292 -4.149 0.218) 4.165 10.984 ( 0.292 4.149 -0.218) 4.165 10.984 ( 0.292 4.183 0.416) 4.214 11.312 ( 1.507 -2.845 -1.053) 3.387 11.312 ( 1.507 -2.782 0.975) 3.311 11.312 ( 1.507 2.782 -0.975) 3.311 11.312 ( 1.507 2.845 1.053) 3.387 11.493 ( -2.508 -5.678 -5.039) 7.995 11.493 ( -2.508 2.613 -3.754) 5.216 11.493 ( -2.508 -2.613 3.754) 5.216 11.493 ( -2.508 5.678 5.039) 7.995 ======================= Grid point 78 (27/27) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 23 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 2.626 -6.630 -6.718) 9.798 1.416 ( 2.626 6.248 -6.553) 9.428 1.416 ( 2.626 -6.248 6.553) 9.428 1.416 ( 2.626 6.630 6.718) 9.798 1.613 ( -0.951 -2.986 -6.485) 7.203 1.613 ( -0.951 1.871 -6.297) 6.638 1.613 ( -0.951 -1.871 6.297) 6.638 1.613 ( -0.951 2.986 6.485) 7.203 1.724 ( 2.895 -6.628 -7.861) 10.682 1.724 ( 2.895 6.571 -7.840) 10.631 1.724 ( 2.895 -6.571 7.840) 10.631 1.724 ( 2.895 6.628 7.861) 10.682 1.903 ( -7.467 -5.873 -7.708) 12.233 1.903 ( -7.467 3.030 -6.940) 10.635 1.903 ( -7.467 -3.030 6.940) 10.635 1.903 ( -7.467 5.873 7.708) 12.233 2.105 ( 1.118 -0.356 -2.519) 2.779 2.105 ( 1.118 -0.061 -2.508) 2.747 2.105 ( 1.118 0.061 2.508) 2.747 2.105 ( 1.118 0.356 2.519) 2.779 2.311 ( 0.650 -1.241 -1.611) 2.135 2.311 ( 0.650 0.855 -1.495) 1.841 2.311 ( 0.650 -0.855 1.495) 1.841 2.311 ( 0.650 1.241 1.611) 2.135 2.501 ( 2.515 -3.317 -2.923) 5.087 2.501 ( 2.515 -0.850 -1.994) 3.321 2.501 ( 2.515 0.850 1.994) 3.321 2.501 ( 2.515 3.317 2.923) 5.087 2.515 ( 1.156 -4.023 -2.448) 4.850 2.515 ( 1.156 -1.731 0.363) 2.113 2.515 ( 1.156 1.731 -0.363) 2.113 2.515 ( 1.156 4.023 2.448) 4.850 2.634 ( 2.589 -0.604 -6.198) 6.744 2.634 ( 2.589 0.562 -6.196) 6.739 2.634 ( 2.589 -0.562 6.196) 6.739 2.634 ( 2.589 0.604 6.198) 6.744 2.705 ( -1.068 -0.392 -1.945) 2.253 2.705 ( -1.068 0.388 -1.945) 2.252 2.705 ( -1.068 -0.388 1.945) 2.252 2.705 ( -1.068 0.392 1.945) 2.253 2.790 ( 3.243 -4.184 -4.887) 7.205 2.790 ( 3.243 3.215 -4.549) 6.446 2.790 ( 3.243 -3.215 4.549) 6.446 2.790 ( 3.243 4.184 4.887) 7.205 2.883 ( -1.205 -3.019 -2.025) 3.830 2.883 ( -1.205 -0.497 -0.398) 1.363 2.883 ( -1.205 0.497 0.398) 1.363 2.883 ( -1.205 3.019 2.025) 3.830 2.964 ( 4.492 -2.868 -2.929) 6.082 2.964 ( 4.492 2.412 -2.740) 5.788 2.964 ( 4.492 -2.412 2.740) 5.788 2.964 ( 4.492 2.868 2.929) 6.082 3.039 ( -1.310 -1.527 -2.011) 2.845 3.039 ( -1.310 1.155 -1.897) 2.578 3.039 ( -1.310 -1.155 1.897) 2.578 3.039 ( -1.310 1.527 2.011) 2.845 3.163 ( 3.557 -3.204 -4.523) 6.586 3.163 ( 3.557 3.124 -4.498) 6.530 3.163 ( 3.557 -3.124 4.498) 6.530 3.163 ( 3.557 3.204 4.523) 6.586 3.262 ( -5.827 -3.991 -5.020) 8.666 3.262 ( -5.827 3.771 -4.944) 8.521 3.262 ( -5.827 -3.771 4.944) 8.521 3.262 ( -5.827 3.991 5.020) 8.666 3.497 ( 7.088 -4.593 -3.161) 9.018 3.497 ( 7.088 -0.091 -0.785) 7.132 3.497 ( 7.088 0.091 0.785) 7.132 3.497 ( 7.088 4.593 3.161) 9.018 3.611 ( -3.015 -3.548 -4.484) 6.464 3.611 ( -3.015 3.487 -4.463) 6.416 3.611 ( -3.015 -3.487 4.463) 6.416 3.611 ( -3.015 3.548 4.484) 6.464 3.714 ( -0.334 -3.686 -1.697) 4.072 3.714 ( -0.334 -3.370 -1.374) 3.655 3.714 ( -0.334 3.370 1.374) 3.655 3.714 ( -0.334 3.686 1.697) 4.072 3.869 ( -4.332 -2.137 -3.242) 5.818 3.869 ( -4.332 1.572 -3.095) 5.552 3.869 ( -4.332 -1.572 3.095) 5.552 3.869 ( -4.332 2.137 3.242) 5.818 4.095 ( 2.022 -1.356 -0.878) 2.588 4.095 ( 2.022 -0.414 -0.172) 2.071 4.095 ( 2.022 0.414 0.172) 2.071 4.095 ( 2.022 1.356 0.878) 2.588 4.184 ( -4.941 -1.755 -1.218) 5.383 4.184 ( -4.941 0.403 -0.433) 4.976 4.184 ( -4.941 -0.403 0.433) 4.976 4.184 ( -4.941 1.755 1.218) 5.383 4.413 ( 1.326 -2.431 -4.970) 5.689 4.413 ( 1.326 2.154 -4.913) 5.525 4.413 ( 1.326 -2.154 4.913) 5.525 4.413 ( 1.326 2.431 4.970) 5.689 4.458 ( -1.975 -2.817 -5.365) 6.374 4.458 ( -1.975 2.817 -5.365) 6.374 4.458 ( -1.975 -2.817 5.365) 6.374 4.458 ( -1.975 2.817 5.365) 6.374 4.556 ( 0.792 -0.803 -2.893) 3.105 4.556 ( 0.792 0.186 -2.845) 2.960 4.556 ( 0.792 -0.186 2.845) 2.960 4.556 ( 0.792 0.803 2.893) 3.105 4.648 ( -0.587 -1.187 -3.691) 3.921 4.648 ( -0.587 0.214 -3.608) 3.661 4.648 ( -0.587 -0.214 3.608) 3.661 4.648 ( -0.587 1.187 3.691) 3.921 4.821 ( -2.526 -0.736 -2.360) 3.535 4.821 ( -2.526 -0.377 -2.322) 3.452 4.821 ( -2.526 0.377 2.322) 3.452 4.821 ( -2.526 0.736 2.360) 3.535 5.100 ( 0.292 -0.785 -0.183) 0.857 5.100 ( 0.292 -0.782 0.178) 0.854 5.100 ( 0.292 0.782 -0.178) 0.854 5.100 ( 0.292 0.785 0.183) 0.857 5.347 ( -0.318 -0.971 -2.500) 2.701 5.347 ( -0.318 0.919 -2.491) 2.674 5.347 ( -0.318 -0.919 2.491) 2.674 5.347 ( -0.318 0.971 2.500) 2.701 5.541 ( 0.683 -1.065 -0.523) 1.369 5.541 ( 0.683 -0.926 0.387) 1.214 5.541 ( 0.683 0.926 -0.387) 1.214 5.541 ( 0.683 1.065 0.523) 1.369 5.720 ( -1.697 -0.564 -0.811) 1.963 5.720 ( -1.697 0.464 -0.782) 1.925 5.720 ( -1.697 -0.464 0.782) 1.925 5.720 ( -1.697 0.564 0.811) 1.963 5.859 ( -0.485 -0.920 -1.905) 2.170 5.859 ( -0.485 0.417 -1.825) 1.934 5.859 ( -0.485 -0.417 1.825) 1.934 5.859 ( -0.485 0.920 1.905) 2.170 6.027 ( 3.147 -0.949 -1.494) 3.611 6.027 ( 3.147 0.867 -1.472) 3.581 6.027 ( 3.147 -0.867 1.472) 3.581 6.027 ( 3.147 0.949 1.494) 3.611 6.112 ( -5.164 -1.104 -2.669) 5.917 6.112 ( -5.164 0.607 -2.598) 5.813 6.112 ( -5.164 -0.607 2.598) 5.813 6.112 ( -5.164 1.104 2.669) 5.917 6.611 ( 1.965 -0.479 -0.818) 2.182 6.611 ( 1.965 0.471 -0.816) 2.179 6.611 ( 1.965 -0.471 0.816) 2.179 6.611 ( 1.965 0.479 0.818) 2.182 6.683 ( 0.202 -1.732 -0.326) 1.774 6.683 ( 0.202 -1.731 0.324) 1.773 6.683 ( 0.202 1.731 -0.324) 1.773 6.683 ( 0.202 1.732 0.326) 1.774 7.437 ( 1.711 -1.582 -0.175) 2.337 7.437 ( 1.711 -1.579 0.166) 2.334 7.437 ( 1.711 1.579 -0.166) 2.334 7.437 ( 1.711 1.582 0.175) 2.337 7.487 ( 0.710 -0.818 -0.511) 1.197 7.487 ( 0.710 -0.696 0.423) 1.080 7.487 ( 0.710 0.696 -0.423) 1.080 7.487 ( 0.710 0.818 0.511) 1.197 8.662 ( -0.148 -0.062 -0.675) 0.694 8.662 ( -0.148 0.059 -0.675) 0.694 8.662 ( -0.148 -0.059 0.675) 0.694 8.662 ( -0.148 0.062 0.675) 0.694 8.675 ( -0.307 -0.283 -0.386) 0.568 8.675 ( -0.307 0.179 -0.357) 0.504 8.675 ( -0.307 -0.179 0.357) 0.504 8.675 ( -0.307 0.283 0.386) 0.568 8.789 ( 0.398 -0.118 -0.623) 0.748 8.789 ( 0.398 0.116 -0.623) 0.748 8.789 ( 0.398 -0.116 0.623) 0.748 8.789 ( 0.398 0.118 0.623) 0.748 8.975 ( 1.164 -0.258 -1.150) 1.657 8.975 ( 1.164 0.245 -1.149) 1.654 8.975 ( 1.164 -0.245 1.149) 1.654 8.975 ( 1.164 0.258 1.150) 1.657 9.118 ( 1.324 -1.018 -2.850) 3.303 9.118 ( 1.324 0.426 -2.782) 3.111 9.118 ( 1.324 -0.426 2.782) 3.111 9.118 ( 1.324 1.018 2.850) 3.303 9.205 ( 0.951 -0.497 -6.411) 6.500 9.205 ( 0.951 0.488 -6.411) 6.499 9.205 ( 0.951 -0.488 6.411) 6.499 9.205 ( 0.951 0.497 6.411) 6.500 9.575 ( -2.900 -1.308 -2.549) 4.077 9.575 ( -2.900 1.285 -2.544) 4.067 9.575 ( -2.900 -1.285 2.544) 4.067 9.575 ( -2.900 1.308 2.549) 4.077 9.800 ( -0.185 -0.656 -1.228) 1.404 9.800 ( -0.185 0.632 -1.222) 1.388 9.800 ( -0.185 -0.632 1.222) 1.388 9.800 ( -0.185 0.656 1.228) 1.404 10.075 ( 1.717 -1.676 -1.940) 3.085 10.075 ( 1.717 1.318 -1.813) 2.823 10.075 ( 1.717 -1.318 1.813) 2.823 10.075 ( 1.717 1.676 1.940) 3.085 10.296 ( -1.131 -1.154 -0.544) 1.705 10.296 ( -1.131 -1.063 0.454) 1.617 10.296 ( -1.131 1.063 -0.454) 1.617 10.296 ( -1.131 1.154 0.544) 1.705 10.468 ( 0.269 -0.220 -0.647) 0.735 10.468 ( 0.269 0.182 -0.642) 0.719 10.468 ( 0.269 -0.182 0.642) 0.719 10.468 ( 0.269 0.220 0.647) 0.735 10.594 ( -0.076 -1.478 -1.031) 1.804 10.594 ( -0.076 -0.065 -0.306) 0.322 10.594 ( -0.076 0.065 0.306) 0.322 10.594 ( -0.076 1.478 1.031) 1.804 10.916 ( 0.590 -2.189 -0.552) 2.333 10.916 ( 0.590 -2.188 0.550) 2.332 10.916 ( 0.590 2.188 -0.550) 2.332 10.916 ( 0.590 2.189 0.552) 2.333 10.990 ( 0.297 -2.482 -0.412) 2.534 10.990 ( 0.297 -2.428 0.229) 2.457 10.990 ( 0.297 2.428 -0.229) 2.457 10.990 ( 0.297 2.482 0.412) 2.534 11.349 ( 2.105 -3.095 -0.779) 3.823 11.349 ( 2.105 -2.891 0.258) 3.586 11.349 ( 2.105 2.891 -0.258) 3.586 11.349 ( 2.105 3.095 0.779) 3.823 11.440 ( -2.697 -4.048 -2.560) 5.496 11.440 ( -2.697 -1.607 -0.647) 3.205 11.440 ( -2.697 1.607 0.647) 3.205 11.440 ( -2.697 4.048 2.560) 5.496 =================== 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 3/17280 10.0 653.039 427.474 489.508 0.000 0.000 -0.000 3/17280 20.0 87.313 73.654 91.186 0.000 0.000 -0.000 3/17280 30.0 29.589 25.976 32.784 0.000 0.000 -0.000 3/17280 40.0 15.300 13.460 17.124 0.000 0.000 -0.000 3/17280 50.0 9.768 8.558 10.931 0.000 0.000 -0.000 3/17280 60.0 7.034 6.134 7.853 0.000 0.000 -0.000 3/17280 70.0 5.460 4.742 6.080 0.000 0.000 -0.000 3/17280 80.0 4.454 3.856 4.950 0.000 0.000 -0.000 3/17280 90.0 3.762 3.249 4.175 0.000 0.000 -0.000 3/17280 100.0 3.259 2.809 3.613 0.000 0.000 -0.000 3/17280 110.0 2.878 2.477 3.188 0.000 0.000 -0.000 3/17280 120.0 2.580 2.217 2.856 0.000 0.000 -0.000 3/17280 130.0 2.340 2.009 2.589 0.000 0.000 -0.000 3/17280 140.0 2.142 1.838 2.370 0.000 0.000 -0.000 3/17280 150.0 1.977 1.695 2.186 0.000 0.000 -0.000 3/17280 160.0 1.836 1.574 2.030 0.000 0.000 -0.000 3/17280 170.0 1.715 1.469 1.896 0.000 0.000 -0.000 3/17280 180.0 1.610 1.378 1.779 0.000 0.000 -0.000 3/17280 190.0 1.517 1.299 1.677 0.000 0.000 -0.000 3/17280 200.0 1.435 1.228 1.586 0.000 0.000 -0.000 3/17280 210.0 1.361 1.165 1.504 0.000 0.000 -0.000 3/17280 220.0 1.295 1.108 1.431 0.000 0.000 -0.000 3/17280 230.0 1.235 1.057 1.365 0.000 0.000 -0.000 3/17280 240.0 1.181 1.011 1.305 0.000 0.000 -0.000 3/17280 250.0 1.131 0.968 1.250 0.000 0.000 -0.000 3/17280 260.0 1.086 0.929 1.200 0.000 0.000 -0.000 3/17280 270.0 1.044 0.893 1.154 0.000 0.000 -0.000 3/17280 280.0 1.005 0.860 1.111 0.000 0.000 -0.000 3/17280 290.0 0.969 0.829 1.071 0.000 0.000 -0.000 3/17280 300.0 0.936 0.801 1.034 0.000 0.000 -0.000 3/17280 310.0 0.905 0.774 1.000 0.000 0.000 -0.000 3/17280 320.0 0.876 0.749 0.968 0.000 0.000 -0.000 3/17280 330.0 0.849 0.726 0.938 0.000 0.000 -0.000 3/17280 340.0 0.823 0.704 0.909 0.000 0.000 -0.000 3/17280 350.0 0.799 0.684 0.883 0.000 0.000 -0.000 3/17280 360.0 0.777 0.664 0.858 0.000 0.000 -0.000 3/17280 370.0 0.755 0.646 0.834 0.000 0.000 -0.000 3/17280 380.0 0.735 0.629 0.812 0.000 0.000 -0.000 3/17280 390.0 0.716 0.612 0.791 0.000 0.000 -0.000 3/17280 400.0 0.698 0.597 0.770 0.000 0.000 -0.000 3/17280 410.0 0.680 0.582 0.751 0.000 0.000 -0.000 3/17280 420.0 0.664 0.568 0.733 0.000 0.000 -0.000 3/17280 430.0 0.648 0.555 0.716 0.000 0.000 -0.000 3/17280 440.0 0.633 0.542 0.699 0.000 0.000 -0.000 3/17280 450.0 0.619 0.530 0.684 0.000 0.000 -0.000 3/17280 460.0 0.606 0.518 0.669 0.000 0.000 -0.000 3/17280 470.0 0.592 0.507 0.654 0.000 0.000 -0.000 3/17280 480.0 0.580 0.496 0.641 0.000 0.000 -0.000 3/17280 490.0 0.568 0.486 0.627 0.000 0.000 -0.000 3/17280 500.0 0.557 0.476 0.615 0.000 0.000 -0.000 3/17280 510.0 0.546 0.467 0.603 0.000 0.000 -0.000 3/17280 520.0 0.535 0.458 0.591 0.000 0.000 -0.000 3/17280 530.0 0.525 0.449 0.580 0.000 0.000 -0.000 3/17280 540.0 0.515 0.441 0.569 0.000 0.000 -0.000 3/17280 550.0 0.506 0.433 0.558 0.000 0.000 -0.000 3/17280 560.0 0.497 0.425 0.548 0.000 0.000 -0.000 3/17280 570.0 0.488 0.418 0.539 0.000 0.000 -0.000 3/17280 580.0 0.479 0.410 0.529 0.000 0.000 -0.000 3/17280 590.0 0.471 0.403 0.520 0.000 0.000 -0.000 3/17280 600.0 0.463 0.397 0.512 0.000 0.000 -0.000 3/17280 610.0 0.456 0.390 0.503 0.000 0.000 -0.000 3/17280 620.0 0.448 0.384 0.495 0.000 0.000 -0.000 3/17280 630.0 0.441 0.378 0.487 0.000 0.000 -0.000 3/17280 640.0 0.434 0.372 0.479 0.000 0.000 -0.000 3/17280 650.0 0.428 0.366 0.472 0.000 0.000 -0.000 3/17280 660.0 0.421 0.360 0.465 0.000 0.000 -0.000 3/17280 670.0 0.415 0.355 0.458 0.000 0.000 -0.000 3/17280 680.0 0.409 0.350 0.451 0.000 0.000 -0.000 3/17280 690.0 0.403 0.345 0.445 0.000 0.000 -0.000 3/17280 700.0 0.397 0.340 0.438 0.000 0.000 -0.000 3/17280 710.0 0.391 0.335 0.432 0.000 0.000 -0.000 3/17280 720.0 0.386 0.330 0.426 0.000 0.000 -0.000 3/17280 730.0 0.381 0.326 0.420 0.000 0.000 -0.000 3/17280 740.0 0.375 0.321 0.414 0.000 0.000 -0.000 3/17280 750.0 0.370 0.317 0.409 0.000 0.000 -0.000 3/17280 760.0 0.365 0.313 0.403 0.000 0.000 -0.000 3/17280 770.0 0.361 0.309 0.398 0.000 0.000 -0.000 3/17280 780.0 0.356 0.305 0.393 0.000 0.000 -0.000 3/17280 790.0 0.352 0.301 0.388 0.000 0.000 -0.000 3/17280 800.0 0.347 0.297 0.383 0.000 0.000 -0.000 3/17280 810.0 0.343 0.294 0.379 0.000 0.000 -0.000 3/17280 820.0 0.339 0.290 0.374 0.000 0.000 -0.000 3/17280 830.0 0.335 0.287 0.369 0.000 0.000 -0.000 3/17280 840.0 0.331 0.283 0.365 0.000 0.000 -0.000 3/17280 850.0 0.327 0.280 0.361 0.000 0.000 -0.000 3/17280 860.0 0.323 0.277 0.356 0.000 0.000 -0.000 3/17280 870.0 0.319 0.273 0.352 0.000 0.000 -0.000 3/17280 880.0 0.316 0.270 0.348 0.000 0.000 -0.000 3/17280 890.0 0.312 0.267 0.344 0.000 0.000 -0.000 3/17280 900.0 0.309 0.264 0.341 0.000 0.000 -0.000 3/17280 910.0 0.305 0.261 0.337 0.000 0.000 -0.000 3/17280 920.0 0.302 0.259 0.333 0.000 0.000 -0.000 3/17280 930.0 0.299 0.256 0.330 0.000 0.000 -0.000 3/17280 940.0 0.295 0.253 0.326 0.000 0.000 -0.000 3/17280 950.0 0.292 0.250 0.323 0.000 0.000 -0.000 3/17280 960.0 0.289 0.248 0.319 0.000 0.000 -0.000 3/17280 970.0 0.286 0.245 0.316 0.000 0.000 -0.000 3/17280 980.0 0.283 0.243 0.313 0.000 0.000 -0.000 3/17280 990.0 0.280 0.240 0.310 0.000 0.000 -0.000 3/17280 1000.0 0.278 0.238 0.306 0.000 0.000 -0.000 3/17280 Thermal conductivity related properties were written into "kappa-m544.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:03:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|