----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:38:49]------------------------- 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 11.027835220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.324654349999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.877164750000000 Atomic positions (fractional): *1 Ga 0.26680069613801 0.52765064819273 0.03898306448320 69.723 *2 Ga 0.43606017253878 0.04592080514449 0.30092235123317 69.723 3 Ga 0.26680069613801 0.97234935180727 0.53898306448320 69.723 4 Ga 0.56393982746122 0.54592080514449 0.19907764876683 69.723 5 Ga 0.93606017253878 0.04592080514449 0.19907764876683 69.723 6 Ga 0.56393982746122 0.95407919485551 0.69907764876683 69.723 7 Ga 0.23319930386199 0.02765064819274 0.03898306448320 69.723 8 Ga 0.06393982746122 0.95407919485551 0.80092235123317 69.723 9 Ga 0.93606017253878 0.45407919485551 0.69907764876683 69.723 10 Ga 0.76680069613800 0.97234935180727 0.96101693551680 69.723 11 Ga 0.43606017253878 0.45407919485551 0.80092235123317 69.723 12 Ga 0.73319930386200 0.02765064819274 0.46101693551680 69.723 13 Ga 0.23319930386199 0.47234935180727 0.53898306448320 69.723 14 Ga 0.06393982746122 0.54592080514449 0.30092235123317 69.723 15 Ga 0.73319930386200 0.47234935180727 0.96101693551680 69.723 16 Ga 0.76680069613800 0.52765064819273 0.46101693551680 69.723 *17 Pb 0.23804541154153 0.81027631098766 0.25493594685286 207.200 *18 Pb 0.49292644808444 0.70281966335133 0.47798915316391 207.200 19 Pb 0.00707355191556 0.20281966335134 0.47798915316391 207.200 20 Pb 0.26195458845848 0.31027631098766 0.25493594685286 207.200 21 Pb 0.50707355191556 0.29718033664866 0.52201084683609 207.200 22 Pb 0.73804541154153 0.68972368901234 0.74506405314714 207.200 23 Pb 0.76195458845847 0.31027631098766 0.24506405314714 207.200 24 Pb 0.99292644808444 0.70281966335133 0.02201084683609 207.200 25 Pb 0.49292644808444 0.79718033664867 0.97798915316391 207.200 26 Pb 0.26195458845848 0.18972368901234 0.75493594685286 207.200 27 Pb 0.00707355191556 0.29718033664866 0.97798915316391 207.200 28 Pb 0.76195458845847 0.18972368901234 0.74506405314714 207.200 29 Pb 0.50707355191556 0.20281966335134 0.02201084683609 207.200 30 Pb 0.99292644808444 0.79718033664867 0.52201084683609 207.200 31 Pb 0.73804541154153 0.81027631098766 0.24506405314714 207.200 32 Pb 0.23804541154153 0.68972368901234 0.75493594685286 207.200 *33 S 0.73966497666157 0.46447268647917 0.63940031363987 32.065 34 S 0.23966497666157 0.46447268647917 0.86059968636013 32.065 *35 S 0.00620936502558 0.71912363765359 0.29011752173754 32.065 *36 S 0.58825026002136 0.02618197634527 0.87753886024828 32.065 *37 S 0.07251723202946 0.56750307990662 0.61182843950041 32.065 38 S 0.42748276797054 0.06750307990662 0.61182843950041 32.065 39 S 0.26033502333843 0.53552731352083 0.36059968636013 32.065 40 S 0.99379063497442 0.21912363765359 0.20988247826246 32.065 41 S 0.23966497666157 0.03552731352083 0.36059968636013 32.065 42 S 0.99379063497442 0.28087636234641 0.70988247826246 32.065 *43 S 0.75551532575768 0.79107647307186 0.97498019473178 32.065 44 S 0.74448467424232 0.29107647307186 0.97498019473178 32.065 45 S 0.57251723202946 0.93249692009338 0.38817156049959 32.065 46 S 0.08825026002136 0.02618197634527 0.62246113975172 32.065 47 S 0.25551532575768 0.70892352692814 0.02501980526822 32.065 48 S 0.76033502333843 0.53552731352083 0.13940031363987 32.065 49 S 0.91174973997864 0.97381802365473 0.37753886024828 32.065 50 S 0.24448467424232 0.29107647307186 0.52501980526822 32.065 51 S 0.50620936502558 0.78087636234641 0.70988247826246 32.065 52 S 0.73966497666157 0.03552731352083 0.13940031363987 32.065 53 S 0.41174973997864 0.97381802365473 0.12246113975172 32.065 54 S 0.25551532575768 0.79107647307186 0.52501980526822 32.065 55 S 0.24448467424232 0.20892352692814 0.02501980526822 32.065 56 S 0.57251723202946 0.56750307990662 0.88817156049959 32.065 57 S 0.92748276797054 0.43249692009338 0.38817156049959 32.065 58 S 0.91174973997864 0.52618197634527 0.87753886024828 32.065 59 S 0.92748276797054 0.06750307990662 0.88817156049959 32.065 60 S 0.07251723202946 0.93249692009338 0.11182843950041 32.065 61 S 0.26033502333843 0.96447268647917 0.86059968636013 32.065 62 S 0.42748276797054 0.43249692009338 0.11182843950041 32.065 63 S 0.74448467424232 0.20892352692814 0.47498019473178 32.065 64 S 0.41174973997864 0.52618197634527 0.62246113975172 32.065 65 S 0.76033502333843 0.96447268647917 0.63940031363987 32.065 66 S 0.50620936502558 0.71912363765359 0.20988247826246 32.065 67 S 0.00620936502558 0.78087636234641 0.79011752173754 32.065 68 S 0.08825026002136 0.47381802365473 0.12246113975172 32.065 69 S 0.49379063497442 0.28087636234641 0.79011752173754 32.065 70 S 0.58825026002136 0.47381802365473 0.37753886024828 32.065 71 S 0.49379063497442 0.21912363765359 0.29011752173754 32.065 72 S 0.75551532575768 0.70892352692814 0.47498019473178 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.027835220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.324654349999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.877164750000000 Atomic positions (fractional): *1 Ga 0.26680069613801 0.52765064819273 0.03898306448320 69.723 > 1 *2 Ga 0.43606017253878 0.04592080514449 0.30092235123317 69.723 > 2 3 Ga 0.26680069613801 0.97234935180727 0.53898306448320 69.723 > 3 4 Ga 0.56393982746122 0.54592080514449 0.19907764876683 69.723 > 4 5 Ga 0.93606017253878 0.04592080514449 0.19907764876683 69.723 > 5 6 Ga 0.56393982746122 0.95407919485551 0.69907764876683 69.723 > 6 7 Ga 0.23319930386199 0.02765064819274 0.03898306448320 69.723 > 7 8 Ga 0.06393982746122 0.95407919485551 0.80092235123317 69.723 > 8 9 Ga 0.93606017253878 0.45407919485551 0.69907764876683 69.723 > 9 10 Ga 0.76680069613800 0.97234935180727 0.96101693551680 69.723 > 10 11 Ga 0.43606017253878 0.45407919485551 0.80092235123317 69.723 > 11 12 Ga 0.73319930386200 0.02765064819274 0.46101693551680 69.723 > 12 13 Ga 0.23319930386199 0.47234935180727 0.53898306448320 69.723 > 13 14 Ga 0.06393982746122 0.54592080514449 0.30092235123317 69.723 > 14 15 Ga 0.73319930386200 0.47234935180727 0.96101693551680 69.723 > 15 16 Ga 0.76680069613800 0.52765064819273 0.46101693551680 69.723 > 16 *17 Pb 0.23804541154153 0.81027631098766 0.25493594685286 207.200 > 17 *18 Pb 0.49292644808444 0.70281966335133 0.47798915316391 207.200 > 18 19 Pb 0.00707355191556 0.20281966335134 0.47798915316391 207.200 > 19 20 Pb 0.26195458845848 0.31027631098766 0.25493594685286 207.200 > 20 21 Pb 0.50707355191556 0.29718033664866 0.52201084683609 207.200 > 21 22 Pb 0.73804541154153 0.68972368901234 0.74506405314714 207.200 > 22 23 Pb 0.76195458845847 0.31027631098766 0.24506405314714 207.200 > 23 24 Pb 0.99292644808444 0.70281966335133 0.02201084683609 207.200 > 24 25 Pb 0.49292644808444 0.79718033664867 0.97798915316391 207.200 > 25 26 Pb 0.26195458845848 0.18972368901234 0.75493594685286 207.200 > 26 27 Pb 0.00707355191556 0.29718033664866 0.97798915316391 207.200 > 27 28 Pb 0.76195458845847 0.18972368901234 0.74506405314714 207.200 > 28 29 Pb 0.50707355191556 0.20281966335134 0.02201084683609 207.200 > 29 30 Pb 0.99292644808444 0.79718033664867 0.52201084683609 207.200 > 30 31 Pb 0.73804541154153 0.81027631098766 0.24506405314714 207.200 > 31 32 Pb 0.23804541154153 0.68972368901234 0.75493594685286 207.200 > 32 *33 S 0.73966497666157 0.46447268647917 0.63940031363987 32.065 > 33 34 S 0.23966497666157 0.46447268647917 0.86059968636013 32.065 > 34 *35 S 0.00620936502558 0.71912363765359 0.29011752173754 32.065 > 35 *36 S 0.58825026002136 0.02618197634527 0.87753886024828 32.065 > 36 *37 S 0.07251723202946 0.56750307990662 0.61182843950041 32.065 > 37 38 S 0.42748276797054 0.06750307990662 0.61182843950041 32.065 > 38 39 S 0.26033502333843 0.53552731352083 0.36059968636013 32.065 > 39 40 S 0.99379063497442 0.21912363765359 0.20988247826246 32.065 > 40 41 S 0.23966497666157 0.03552731352083 0.36059968636013 32.065 > 41 42 S 0.99379063497442 0.28087636234641 0.70988247826246 32.065 > 42 *43 S 0.75551532575768 0.79107647307186 0.97498019473178 32.065 > 43 44 S 0.74448467424232 0.29107647307186 0.97498019473178 32.065 > 44 45 S 0.57251723202946 0.93249692009338 0.38817156049959 32.065 > 45 46 S 0.08825026002136 0.02618197634527 0.62246113975172 32.065 > 46 47 S 0.25551532575768 0.70892352692814 0.02501980526822 32.065 > 47 48 S 0.76033502333843 0.53552731352083 0.13940031363987 32.065 > 48 49 S 0.91174973997864 0.97381802365473 0.37753886024828 32.065 > 49 50 S 0.24448467424232 0.29107647307186 0.52501980526822 32.065 > 50 51 S 0.50620936502558 0.78087636234641 0.70988247826246 32.065 > 51 52 S 0.73966497666157 0.03552731352083 0.13940031363987 32.065 > 52 53 S 0.41174973997864 0.97381802365473 0.12246113975172 32.065 > 53 54 S 0.25551532575768 0.79107647307186 0.52501980526822 32.065 > 54 55 S 0.24448467424232 0.20892352692814 0.02501980526822 32.065 > 55 56 S 0.57251723202946 0.56750307990662 0.88817156049959 32.065 > 56 57 S 0.92748276797054 0.43249692009338 0.38817156049959 32.065 > 57 58 S 0.91174973997864 0.52618197634527 0.87753886024828 32.065 > 58 59 S 0.92748276797054 0.06750307990662 0.88817156049959 32.065 > 59 60 S 0.07251723202946 0.93249692009338 0.11182843950041 32.065 > 60 61 S 0.26033502333843 0.96447268647917 0.86059968636013 32.065 > 61 62 S 0.42748276797054 0.43249692009338 0.11182843950041 32.065 > 62 63 S 0.74448467424232 0.20892352692814 0.47498019473178 32.065 > 63 64 S 0.41174973997864 0.52618197634527 0.62246113975172 32.065 > 64 65 S 0.76033502333843 0.96447268647917 0.63940031363987 32.065 > 65 66 S 0.50620936502558 0.71912363765359 0.20988247826246 32.065 > 66 67 S 0.00620936502558 0.78087636234641 0.79011752173754 32.065 > 67 68 S 0.08825026002136 0.47381802365473 0.12246113975172 32.065 > 68 69 S 0.49379063497442 0.28087636234641 0.79011752173754 32.065 > 69 70 S 0.58825026002136 0.47381802365473 0.37753886024828 32.065 > 70 71 S 0.49379063497442 0.21912363765359 0.29011752173754 32.065 > 71 72 S 0.75551532575768 0.70892352692814 0.47498019473178 32.065 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 22.055670440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.324654349999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.877164750000000 Atomic positions (fractional): *1 Ga 0.13340034806900 0.52765064819273 0.03898306448320 69.723 > 1 2 Ga 0.63340034806900 0.52765064819273 0.03898306448320 69.723 > 1 *3 Ga 0.21803008626939 0.04592080514449 0.30092235123317 69.723 > 2 4 Ga 0.71803008626939 0.04592080514449 0.30092235123317 69.723 > 2 5 Ga 0.13340034806900 0.97234935180727 0.53898306448320 69.723 > 3 6 Ga 0.63340034806900 0.97234935180727 0.53898306448320 69.723 > 3 7 Ga 0.28196991373061 0.54592080514449 0.19907764876683 69.723 > 4 8 Ga 0.78196991373061 0.54592080514449 0.19907764876683 69.723 > 4 9 Ga 0.46803008626939 0.04592080514449 0.19907764876683 69.723 > 5 10 Ga 0.96803008626939 0.04592080514449 0.19907764876683 69.723 > 5 11 Ga 0.28196991373061 0.95407919485551 0.69907764876683 69.723 > 6 12 Ga 0.78196991373061 0.95407919485551 0.69907764876683 69.723 > 6 13 Ga 0.11659965193100 0.02765064819274 0.03898306448320 69.723 > 7 14 Ga 0.61659965193100 0.02765064819274 0.03898306448320 69.723 > 7 15 Ga 0.03196991373061 0.95407919485551 0.80092235123317 69.723 > 8 16 Ga 0.53196991373061 0.95407919485551 0.80092235123317 69.723 > 8 17 Ga 0.46803008626939 0.45407919485551 0.69907764876683 69.723 > 9 18 Ga 0.96803008626939 0.45407919485551 0.69907764876683 69.723 > 9 19 Ga 0.38340034806900 0.97234935180727 0.96101693551680 69.723 > 10 20 Ga 0.88340034806900 0.97234935180727 0.96101693551680 69.723 > 10 21 Ga 0.21803008626939 0.45407919485551 0.80092235123317 69.723 > 11 22 Ga 0.71803008626939 0.45407919485551 0.80092235123317 69.723 > 11 23 Ga 0.36659965193100 0.02765064819274 0.46101693551680 69.723 > 12 24 Ga 0.86659965193100 0.02765064819274 0.46101693551680 69.723 > 12 25 Ga 0.11659965193100 0.47234935180727 0.53898306448320 69.723 > 13 26 Ga 0.61659965193100 0.47234935180727 0.53898306448320 69.723 > 13 27 Ga 0.03196991373061 0.54592080514449 0.30092235123317 69.723 > 14 28 Ga 0.53196991373061 0.54592080514449 0.30092235123317 69.723 > 14 29 Ga 0.36659965193100 0.47234935180727 0.96101693551680 69.723 > 15 30 Ga 0.86659965193100 0.47234935180727 0.96101693551680 69.723 > 15 31 Ga 0.38340034806900 0.52765064819273 0.46101693551680 69.723 > 16 32 Ga 0.88340034806900 0.52765064819273 0.46101693551680 69.723 > 16 *33 Pb 0.11902270577076 0.81027631098766 0.25493594685286 207.200 > 17 34 Pb 0.61902270577076 0.81027631098766 0.25493594685286 207.200 > 17 *35 Pb 0.24646322404222 0.70281966335133 0.47798915316391 207.200 > 18 36 Pb 0.74646322404222 0.70281966335133 0.47798915316391 207.200 > 18 37 Pb 0.00353677595778 0.20281966335134 0.47798915316391 207.200 > 19 38 Pb 0.50353677595778 0.20281966335134 0.47798915316391 207.200 > 19 39 Pb 0.13097729422924 0.31027631098766 0.25493594685286 207.200 > 20 40 Pb 0.63097729422924 0.31027631098766 0.25493594685286 207.200 > 20 41 Pb 0.25353677595778 0.29718033664866 0.52201084683609 207.200 > 21 42 Pb 0.75353677595778 0.29718033664866 0.52201084683609 207.200 > 21 43 Pb 0.36902270577076 0.68972368901234 0.74506405314714 207.200 > 22 44 Pb 0.86902270577076 0.68972368901234 0.74506405314714 207.200 > 22 45 Pb 0.38097729422924 0.31027631098766 0.24506405314714 207.200 > 23 46 Pb 0.88097729422924 0.31027631098766 0.24506405314714 207.200 > 23 47 Pb 0.49646322404222 0.70281966335133 0.02201084683609 207.200 > 24 48 Pb 0.99646322404222 0.70281966335133 0.02201084683609 207.200 > 24 49 Pb 0.24646322404222 0.79718033664867 0.97798915316391 207.200 > 25 50 Pb 0.74646322404222 0.79718033664867 0.97798915316391 207.200 > 25 51 Pb 0.13097729422924 0.18972368901234 0.75493594685286 207.200 > 26 52 Pb 0.63097729422924 0.18972368901234 0.75493594685286 207.200 > 26 53 Pb 0.00353677595778 0.29718033664866 0.97798915316391 207.200 > 27 54 Pb 0.50353677595778 0.29718033664866 0.97798915316391 207.200 > 27 55 Pb 0.38097729422924 0.18972368901234 0.74506405314714 207.200 > 28 56 Pb 0.88097729422924 0.18972368901234 0.74506405314714 207.200 > 28 57 Pb 0.25353677595778 0.20281966335134 0.02201084683609 207.200 > 29 58 Pb 0.75353677595778 0.20281966335134 0.02201084683609 207.200 > 29 59 Pb 0.49646322404222 0.79718033664867 0.52201084683609 207.200 > 30 60 Pb 0.99646322404222 0.79718033664867 0.52201084683609 207.200 > 30 61 Pb 0.36902270577076 0.81027631098766 0.24506405314714 207.200 > 31 62 Pb 0.86902270577076 0.81027631098766 0.24506405314714 207.200 > 31 63 Pb 0.11902270577076 0.68972368901234 0.75493594685286 207.200 > 32 64 Pb 0.61902270577076 0.68972368901234 0.75493594685286 207.200 > 32 *65 S 0.36983248833079 0.46447268647917 0.63940031363987 32.065 > 33 66 S 0.86983248833079 0.46447268647917 0.63940031363987 32.065 > 33 67 S 0.11983248833079 0.46447268647917 0.86059968636013 32.065 > 34 68 S 0.61983248833079 0.46447268647917 0.86059968636013 32.065 > 34 *69 S 0.00310468251279 0.71912363765359 0.29011752173754 32.065 > 35 70 S 0.50310468251279 0.71912363765359 0.29011752173754 32.065 > 35 *71 S 0.29412513001068 0.02618197634527 0.87753886024828 32.065 > 36 72 S 0.79412513001068 0.02618197634527 0.87753886024828 32.065 > 36 *73 S 0.03625861601473 0.56750307990662 0.61182843950041 32.065 > 37 74 S 0.53625861601473 0.56750307990662 0.61182843950041 32.065 > 37 75 S 0.21374138398527 0.06750307990662 0.61182843950041 32.065 > 38 76 S 0.71374138398527 0.06750307990662 0.61182843950041 32.065 > 38 77 S 0.13016751166921 0.53552731352083 0.36059968636013 32.065 > 39 78 S 0.63016751166921 0.53552731352083 0.36059968636013 32.065 > 39 79 S 0.49689531748721 0.21912363765359 0.20988247826246 32.065 > 40 80 S 0.99689531748721 0.21912363765359 0.20988247826246 32.065 > 40 81 S 0.11983248833079 0.03552731352083 0.36059968636013 32.065 > 41 82 S 0.61983248833079 0.03552731352083 0.36059968636013 32.065 > 41 83 S 0.49689531748721 0.28087636234641 0.70988247826246 32.065 > 42 84 S 0.99689531748721 0.28087636234641 0.70988247826246 32.065 > 42 *85 S 0.37775766287884 0.79107647307186 0.97498019473178 32.065 > 43 86 S 0.87775766287884 0.79107647307186 0.97498019473178 32.065 > 43 87 S 0.37224233712116 0.29107647307186 0.97498019473178 32.065 > 44 88 S 0.87224233712116 0.29107647307186 0.97498019473178 32.065 > 44 89 S 0.28625861601473 0.93249692009338 0.38817156049959 32.065 > 45 90 S 0.78625861601473 0.93249692009338 0.38817156049959 32.065 > 45 91 S 0.04412513001068 0.02618197634527 0.62246113975172 32.065 > 46 92 S 0.54412513001068 0.02618197634527 0.62246113975172 32.065 > 46 93 S 0.12775766287884 0.70892352692814 0.02501980526822 32.065 > 47 94 S 0.62775766287884 0.70892352692814 0.02501980526822 32.065 > 47 95 S 0.38016751166921 0.53552731352083 0.13940031363987 32.065 > 48 96 S 0.88016751166921 0.53552731352083 0.13940031363987 32.065 > 48 97 S 0.45587486998932 0.97381802365473 0.37753886024828 32.065 > 49 98 S 0.95587486998932 0.97381802365473 0.37753886024828 32.065 > 49 99 S 0.12224233712116 0.29107647307186 0.52501980526822 32.065 > 50 100 S 0.62224233712116 0.29107647307186 0.52501980526822 32.065 > 50 101 S 0.25310468251279 0.78087636234641 0.70988247826246 32.065 > 51 102 S 0.75310468251279 0.78087636234641 0.70988247826246 32.065 > 51 103 S 0.36983248833079 0.03552731352083 0.13940031363987 32.065 > 52 104 S 0.86983248833079 0.03552731352083 0.13940031363987 32.065 > 52 105 S 0.20587486998932 0.97381802365473 0.12246113975172 32.065 > 53 106 S 0.70587486998932 0.97381802365473 0.12246113975172 32.065 > 53 107 S 0.12775766287884 0.79107647307186 0.52501980526822 32.065 > 54 108 S 0.62775766287884 0.79107647307186 0.52501980526822 32.065 > 54 109 S 0.12224233712116 0.20892352692814 0.02501980526822 32.065 > 55 110 S 0.62224233712116 0.20892352692814 0.02501980526822 32.065 > 55 111 S 0.28625861601473 0.56750307990662 0.88817156049959 32.065 > 56 112 S 0.78625861601473 0.56750307990662 0.88817156049959 32.065 > 56 113 S 0.46374138398527 0.43249692009338 0.38817156049959 32.065 > 57 114 S 0.96374138398527 0.43249692009338 0.38817156049959 32.065 > 57 115 S 0.45587486998932 0.52618197634527 0.87753886024828 32.065 > 58 116 S 0.95587486998932 0.52618197634527 0.87753886024828 32.065 > 58 117 S 0.46374138398527 0.06750307990662 0.88817156049959 32.065 > 59 118 S 0.96374138398527 0.06750307990662 0.88817156049959 32.065 > 59 119 S 0.03625861601473 0.93249692009338 0.11182843950041 32.065 > 60 120 S 0.53625861601473 0.93249692009338 0.11182843950041 32.065 > 60 121 S 0.13016751166921 0.96447268647917 0.86059968636013 32.065 > 61 122 S 0.63016751166921 0.96447268647917 0.86059968636013 32.065 > 61 123 S 0.21374138398527 0.43249692009338 0.11182843950041 32.065 > 62 124 S 0.71374138398527 0.43249692009338 0.11182843950041 32.065 > 62 125 S 0.37224233712116 0.20892352692814 0.47498019473178 32.065 > 63 126 S 0.87224233712116 0.20892352692814 0.47498019473178 32.065 > 63 127 S 0.20587486998932 0.52618197634527 0.62246113975172 32.065 > 64 128 S 0.70587486998932 0.52618197634527 0.62246113975172 32.065 > 64 129 S 0.38016751166921 0.96447268647917 0.63940031363987 32.065 > 65 130 S 0.88016751166921 0.96447268647917 0.63940031363987 32.065 > 65 131 S 0.25310468251279 0.71912363765359 0.20988247826246 32.065 > 66 132 S 0.75310468251279 0.71912363765359 0.20988247826246 32.065 > 66 133 S 0.00310468251279 0.78087636234641 0.79011752173754 32.065 > 67 134 S 0.50310468251279 0.78087636234641 0.79011752173754 32.065 > 67 135 S 0.04412513001068 0.47381802365473 0.12246113975172 32.065 > 68 136 S 0.54412513001068 0.47381802365473 0.12246113975172 32.065 > 68 137 S 0.24689531748721 0.28087636234641 0.79011752173754 32.065 > 69 138 S 0.74689531748721 0.28087636234641 0.79011752173754 32.065 > 69 139 S 0.29412513001068 0.47381802365473 0.37753886024828 32.065 > 70 140 S 0.79412513001068 0.47381802365473 0.37753886024828 32.065 > 70 141 S 0.24689531748721 0.21912363765359 0.29011752173754 32.065 > 71 142 S 0.74689531748721 0.21912363765359 0.29011752173754 32.065 > 71 143 S 0.37775766287884 0.70892352692814 0.47498019473178 32.065 > 72 144 S 0.87775766287884 0.70892352692814 0.47498019473178 32.065 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.8654341 0.0000000 0.0000000 0.0000000 9.0034873 0.0000000 0.0000000 0.0000000 9.9229244 -------------------------- Born effective charges -------------------------- 1 Ga 2.4719327 -0.3683902 -0.1973287 -0.3198384 2.7199028 -0.5102056 0.1637017 -0.1496031 2.6200613 2 Ga 2.6502064 -0.1324806 0.4688855 0.2342618 2.9531189 -0.0022743 -0.0211947 0.0586018 2.7673065 3 Ga 2.4719327 0.3683902 -0.1973287 0.3198384 2.7199028 0.5102056 0.1637017 0.1496031 2.6200613 4 Ga 2.6502064 0.1324806 0.4688855 -0.2342618 2.9531189 0.0022743 -0.0211947 -0.0586018 2.7673065 5 Ga 2.6502064 -0.1324806 -0.4688855 0.2342618 2.9531189 0.0022743 0.0211947 -0.0586018 2.7673065 6 Ga 2.6502064 -0.1324806 0.4688855 0.2342618 2.9531189 -0.0022743 -0.0211947 0.0586018 2.7673065 7 Ga 2.4719327 0.3683902 0.1973287 0.3198384 2.7199028 -0.5102056 -0.1637017 -0.1496031 2.6200613 8 Ga 2.6502064 -0.1324806 -0.4688855 0.2342618 2.9531189 0.0022743 0.0211947 -0.0586018 2.7673065 9 Ga 2.6502064 0.1324806 -0.4688855 -0.2342618 2.9531189 -0.0022743 0.0211947 0.0586018 2.7673065 10 Ga 2.4719327 0.3683902 0.1973287 0.3198384 2.7199028 -0.5102056 -0.1637017 -0.1496031 2.6200613 11 Ga 2.6502064 0.1324806 0.4688855 -0.2342618 2.9531189 0.0022743 -0.0211947 -0.0586018 2.7673065 12 Ga 2.4719327 0.3683902 -0.1973287 0.3198384 2.7199028 0.5102056 0.1637017 0.1496031 2.6200613 13 Ga 2.4719327 -0.3683902 0.1973287 -0.3198384 2.7199028 0.5102056 -0.1637017 0.1496031 2.6200613 14 Ga 2.6502064 0.1324806 -0.4688855 -0.2342618 2.9531189 -0.0022743 0.0211947 0.0586018 2.7673065 15 Ga 2.4719327 -0.3683902 -0.1973287 -0.3198384 2.7199028 -0.5102056 0.1637017 -0.1496031 2.6200613 16 Ga 2.4719327 -0.3683902 0.1973287 -0.3198384 2.7199028 0.5102056 -0.1637017 0.1496031 2.6200613 17 Pb 3.8300527 0.3085481 -0.0578542 0.2740212 3.5896459 -0.0625798 -0.2335984 0.1901856 4.0776637 18 Pb 4.8923229 -0.1747415 -0.9258927 0.0215403 3.5283906 0.0252116 -0.7326609 0.1468834 4.3485120 19 Pb 4.8923229 0.1747415 0.9258927 -0.0215403 3.5283906 0.0252116 0.7326609 0.1468834 4.3485120 20 Pb 3.8300527 -0.3085481 0.0578542 -0.2740212 3.5896459 -0.0625798 0.2335984 0.1901856 4.0776637 21 Pb 4.8923229 -0.1747415 -0.9258927 0.0215403 3.5283906 0.0252116 -0.7326609 0.1468834 4.3485120 22 Pb 3.8300527 -0.3085481 0.0578542 -0.2740212 3.5896459 -0.0625798 0.2335984 0.1901856 4.0776637 23 Pb 3.8300527 -0.3085481 -0.0578542 -0.2740212 3.5896459 0.0625798 -0.2335984 -0.1901856 4.0776637 24 Pb 4.8923229 -0.1747415 0.9258927 0.0215403 3.5283906 -0.0252116 0.7326609 -0.1468834 4.3485120 25 Pb 4.8923229 0.1747415 -0.9258927 -0.0215403 3.5283906 -0.0252116 -0.7326609 -0.1468834 4.3485120 26 Pb 3.8300527 0.3085481 0.0578542 0.2740212 3.5896459 0.0625798 0.2335984 -0.1901856 4.0776637 27 Pb 4.8923229 -0.1747415 0.9258927 0.0215403 3.5283906 -0.0252116 0.7326609 -0.1468834 4.3485120 28 Pb 3.8300527 0.3085481 -0.0578542 0.2740212 3.5896459 -0.0625798 -0.2335984 0.1901856 4.0776637 29 Pb 4.8923229 0.1747415 -0.9258927 -0.0215403 3.5283906 -0.0252116 -0.7326609 -0.1468834 4.3485120 30 Pb 4.8923229 0.1747415 0.9258927 -0.0215403 3.5283906 0.0252116 0.7326609 0.1468834 4.3485120 31 Pb 3.8300527 0.3085481 0.0578542 0.2740212 3.5896459 0.0625798 0.2335984 -0.1901856 4.0776637 32 Pb 3.8300527 -0.3085481 -0.0578542 -0.2740212 3.5896459 0.0625798 -0.2335984 -0.1901856 4.0776637 33 S -2.0028216 0.1950760 -0.3612090 0.0832909 -2.4460235 -0.0004642 -0.5209369 -0.1793415 -2.7159325 34 S -2.0028216 0.1950760 0.3612090 0.0832909 -2.4460235 0.0004642 0.5209369 0.1793415 -2.7159325 35 S -2.6790043 -0.1263200 -0.0130361 -0.1494328 -2.5433415 -0.2949961 0.2775561 -0.3628763 -3.4177385 36 S -2.1874388 -0.1658954 0.1662996 -0.1305493 -2.8037088 -0.2673328 -0.0480642 -0.1926990 -3.0693954 37 S -2.7414977 -0.1962198 0.2303100 -0.1731178 -2.5757856 -0.0807623 0.2472335 -0.0732697 -1.7647392 38 S -2.7414977 0.1962198 -0.2303100 0.1731178 -2.5757856 -0.0807623 -0.2472335 -0.0732697 -1.7647392 39 S -2.0028216 0.1950760 -0.3612090 0.0832909 -2.4460235 -0.0004642 -0.5209369 -0.1793415 -2.7159325 40 S -2.6790043 0.1263200 -0.0130361 0.1494328 -2.5433415 0.2949961 0.2775561 0.3628763 -3.4177385 41 S -2.0028216 -0.1950760 0.3612090 -0.0832909 -2.4460235 -0.0004642 0.5209369 -0.1793415 -2.7159325 42 S -2.6790043 -0.1263200 -0.0130361 -0.1494328 -2.5433415 -0.2949961 0.2775561 -0.3628763 -3.4177385 43 S -4.2337525 0.6056147 -0.3779171 0.2210642 -2.4221988 -0.4467928 -0.1337129 -0.4518729 -2.8457378 44 S -4.2337525 -0.6056147 0.3779171 -0.2210642 -2.4221988 -0.4467928 0.1337129 -0.4518729 -2.8457378 45 S -2.7414977 0.1962198 -0.2303100 0.1731178 -2.5757856 -0.0807623 -0.2472335 -0.0732697 -1.7647392 46 S -2.1874388 -0.1658954 -0.1662996 -0.1305493 -2.8037088 0.2673328 0.0480642 0.1926990 -3.0693954 47 S -4.2337525 -0.6056147 0.3779171 -0.2210642 -2.4221988 -0.4467928 0.1337129 -0.4518729 -2.8457378 48 S -2.0028216 0.1950760 0.3612090 0.0832909 -2.4460235 0.0004642 0.5209369 0.1793415 -2.7159325 49 S -2.1874388 -0.1658954 -0.1662996 -0.1305493 -2.8037088 0.2673328 0.0480642 0.1926990 -3.0693954 50 S -4.2337525 -0.6056147 -0.3779171 -0.2210642 -2.4221988 0.4467928 -0.1337129 0.4518729 -2.8457378 51 S -2.6790043 0.1263200 0.0130361 0.1494328 -2.5433415 -0.2949961 -0.2775561 -0.3628763 -3.4177385 52 S -2.0028216 -0.1950760 -0.3612090 -0.0832909 -2.4460235 0.0004642 -0.5209369 0.1793415 -2.7159325 53 S -2.1874388 -0.1658954 0.1662996 -0.1305493 -2.8037088 -0.2673328 -0.0480642 -0.1926990 -3.0693954 54 S -4.2337525 0.6056147 0.3779171 0.2210642 -2.4221988 0.4467928 0.1337129 0.4518729 -2.8457378 55 S -4.2337525 0.6056147 -0.3779171 0.2210642 -2.4221988 -0.4467928 -0.1337129 -0.4518729 -2.8457378 56 S -2.7414977 -0.1962198 -0.2303100 -0.1731178 -2.5757856 0.0807623 -0.2472335 0.0732697 -1.7647392 57 S -2.7414977 -0.1962198 0.2303100 -0.1731178 -2.5757856 -0.0807623 0.2472335 -0.0732697 -1.7647392 58 S -2.1874388 0.1658954 -0.1662996 0.1305493 -2.8037088 -0.2673328 0.0480642 -0.1926990 -3.0693954 59 S -2.7414977 0.1962198 0.2303100 0.1731178 -2.5757856 0.0807623 0.2472335 0.0732697 -1.7647392 60 S -2.7414977 0.1962198 0.2303100 0.1731178 -2.5757856 0.0807623 0.2472335 0.0732697 -1.7647392 61 S -2.0028216 -0.1950760 -0.3612090 -0.0832909 -2.4460235 0.0004642 -0.5209369 0.1793415 -2.7159325 62 S -2.7414977 -0.1962198 -0.2303100 -0.1731178 -2.5757856 0.0807623 -0.2472335 0.0732697 -1.7647392 63 S -4.2337525 0.6056147 0.3779171 0.2210642 -2.4221988 0.4467928 0.1337129 0.4518729 -2.8457378 64 S -2.1874388 0.1658954 0.1662996 0.1305493 -2.8037088 0.2673328 -0.0480642 0.1926990 -3.0693954 65 S -2.0028216 -0.1950760 0.3612090 -0.0832909 -2.4460235 -0.0004642 0.5209369 -0.1793415 -2.7159325 66 S -2.6790043 -0.1263200 0.0130361 -0.1494328 -2.5433415 0.2949961 -0.2775561 0.3628763 -3.4177385 67 S -2.6790043 0.1263200 -0.0130361 0.1494328 -2.5433415 0.2949961 0.2775561 0.3628763 -3.4177385 68 S -2.1874388 0.1658954 -0.1662996 0.1305493 -2.8037088 -0.2673328 0.0480642 -0.1926990 -3.0693954 69 S -2.6790043 -0.1263200 0.0130361 -0.1494328 -2.5433415 0.2949961 -0.2775561 0.3628763 -3.4177385 70 S -2.1874388 0.1658954 0.1662996 0.1305493 -2.8037088 0.2673328 -0.0480642 0.1926990 -3.0693954 71 S -2.6790043 0.1263200 0.0130361 0.1494328 -2.5433415 -0.2949961 -0.2775561 -0.3628763 -3.4177385 72 S -4.2337525 -0.6056147 -0.3779171 -0.2210642 -2.4221988 0.4467928 -0.1337129 0.4518729 -2.8457378 ---------------------------------------------------------------------------- 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) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 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) 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: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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, 32), data: (1296, 50) @ (50, 32) |-- (296, 282), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), 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, 34), data: (1296, 52) @ (52, 34) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 282), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 234), data: True |-- (250, 233), 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: 1.988 Solver_block: 200 / 1120 - Time: 1.785 Solver_block: 300 / 1120 - Time: 1.786 Solver_block: 400 / 1120 - Time: 1.784 Solver_block: 500 / 1120 - Time: 1.787 Solver_block: 600 / 1120 - Time: 1.786 Solver_block: 700 / 1120 - Time: 1.787 Solver_block: 800 / 1120 - Time: 1.787 Solver_block: 900 / 1120 - Time: 1.790 Solver_block: 1000 / 1120 - Time: 1.785 Solver_block: 1100 / 1120 - Time: 1.784 Solver_block: 1120 / 1120 - Time: 0.598 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.012 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 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) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 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) 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: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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, 32), data: (1296, 50) @ (50, 32) |-- (296, 282), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), 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, 34), data: (1296, 52) @ (52, 34) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 282), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 234), data: True |-- (250, 233), 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:40:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:40:13]------------------------- 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 11.027835220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.324654349999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.877164750000000 Atomic positions (fractional): 1 Ga 0.26680069613801 0.52765064819273 0.03898306448320 69.723 2 Ga 0.43606017253878 0.04592080514449 0.30092235123317 69.723 3 Ga 0.26680069613801 0.97234935180727 0.53898306448320 69.723 4 Ga 0.56393982746122 0.54592080514449 0.19907764876683 69.723 5 Ga 0.93606017253878 0.04592080514449 0.19907764876683 69.723 6 Ga 0.56393982746122 0.95407919485551 0.69907764876683 69.723 7 Ga 0.23319930386199 0.02765064819274 0.03898306448320 69.723 8 Ga 0.06393982746122 0.95407919485551 0.80092235123317 69.723 9 Ga 0.93606017253878 0.45407919485551 0.69907764876683 69.723 10 Ga 0.76680069613800 0.97234935180727 0.96101693551680 69.723 11 Ga 0.43606017253878 0.45407919485551 0.80092235123317 69.723 12 Ga 0.73319930386200 0.02765064819274 0.46101693551680 69.723 13 Ga 0.23319930386199 0.47234935180727 0.53898306448320 69.723 14 Ga 0.06393982746122 0.54592080514449 0.30092235123317 69.723 15 Ga 0.73319930386200 0.47234935180727 0.96101693551680 69.723 16 Ga 0.76680069613800 0.52765064819273 0.46101693551680 69.723 17 Pb 0.23804541154153 0.81027631098766 0.25493594685286 207.200 18 Pb 0.49292644808444 0.70281966335133 0.47798915316391 207.200 19 Pb 0.00707355191556 0.20281966335134 0.47798915316391 207.200 20 Pb 0.26195458845848 0.31027631098766 0.25493594685286 207.200 21 Pb 0.50707355191556 0.29718033664866 0.52201084683609 207.200 22 Pb 0.73804541154153 0.68972368901234 0.74506405314714 207.200 23 Pb 0.76195458845847 0.31027631098766 0.24506405314714 207.200 24 Pb 0.99292644808444 0.70281966335133 0.02201084683609 207.200 25 Pb 0.49292644808444 0.79718033664867 0.97798915316391 207.200 26 Pb 0.26195458845848 0.18972368901234 0.75493594685286 207.200 27 Pb 0.00707355191556 0.29718033664866 0.97798915316391 207.200 28 Pb 0.76195458845847 0.18972368901234 0.74506405314714 207.200 29 Pb 0.50707355191556 0.20281966335134 0.02201084683609 207.200 30 Pb 0.99292644808444 0.79718033664867 0.52201084683609 207.200 31 Pb 0.73804541154153 0.81027631098766 0.24506405314714 207.200 32 Pb 0.23804541154153 0.68972368901234 0.75493594685286 207.200 33 S 0.73966497666157 0.46447268647917 0.63940031363987 32.065 34 S 0.23966497666157 0.46447268647917 0.86059968636013 32.065 35 S 0.00620936502558 0.71912363765359 0.29011752173754 32.065 36 S 0.58825026002136 0.02618197634527 0.87753886024828 32.065 37 S 0.07251723202946 0.56750307990662 0.61182843950041 32.065 38 S 0.42748276797054 0.06750307990662 0.61182843950041 32.065 39 S 0.26033502333843 0.53552731352083 0.36059968636013 32.065 40 S 0.99379063497442 0.21912363765359 0.20988247826246 32.065 41 S 0.23966497666157 0.03552731352083 0.36059968636013 32.065 42 S 0.99379063497442 0.28087636234641 0.70988247826246 32.065 43 S 0.75551532575768 0.79107647307186 0.97498019473178 32.065 44 S 0.74448467424232 0.29107647307186 0.97498019473178 32.065 45 S 0.57251723202946 0.93249692009338 0.38817156049959 32.065 46 S 0.08825026002136 0.02618197634527 0.62246113975172 32.065 47 S 0.25551532575768 0.70892352692814 0.02501980526822 32.065 48 S 0.76033502333843 0.53552731352083 0.13940031363987 32.065 49 S 0.91174973997864 0.97381802365473 0.37753886024828 32.065 50 S 0.24448467424232 0.29107647307186 0.52501980526822 32.065 51 S 0.50620936502558 0.78087636234641 0.70988247826246 32.065 52 S 0.73966497666157 0.03552731352083 0.13940031363987 32.065 53 S 0.41174973997864 0.97381802365473 0.12246113975172 32.065 54 S 0.25551532575768 0.79107647307186 0.52501980526822 32.065 55 S 0.24448467424232 0.20892352692814 0.02501980526822 32.065 56 S 0.57251723202946 0.56750307990662 0.88817156049959 32.065 57 S 0.92748276797054 0.43249692009338 0.38817156049959 32.065 58 S 0.91174973997864 0.52618197634527 0.87753886024828 32.065 59 S 0.92748276797054 0.06750307990662 0.88817156049959 32.065 60 S 0.07251723202946 0.93249692009338 0.11182843950041 32.065 61 S 0.26033502333843 0.96447268647917 0.86059968636013 32.065 62 S 0.42748276797054 0.43249692009338 0.11182843950041 32.065 63 S 0.74448467424232 0.20892352692814 0.47498019473178 32.065 64 S 0.41174973997864 0.52618197634527 0.62246113975172 32.065 65 S 0.76033502333843 0.96447268647917 0.63940031363987 32.065 66 S 0.50620936502558 0.71912363765359 0.20988247826246 32.065 67 S 0.00620936502558 0.78087636234641 0.79011752173754 32.065 68 S 0.08825026002136 0.47381802365473 0.12246113975172 32.065 69 S 0.49379063497442 0.28087636234641 0.79011752173754 32.065 70 S 0.58825026002136 0.47381802365473 0.37753886024828 32.065 71 S 0.49379063497442 0.21912363765359 0.29011752173754 32.065 72 S 0.75551532575768 0.70892352692814 0.47498019473178 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.055670440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.324654349999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.877164750000000 Atomic positions (fractional): 1 Ga 0.13340034806900 0.52765064819273 0.03898306448320 69.723 > 1 2 Ga 0.63340034806900 0.52765064819273 0.03898306448320 69.723 > 1 3 Ga 0.21803008626939 0.04592080514449 0.30092235123317 69.723 > 3 4 Ga 0.71803008626939 0.04592080514449 0.30092235123317 69.723 > 3 5 Ga 0.13340034806900 0.97234935180727 0.53898306448320 69.723 > 5 6 Ga 0.63340034806900 0.97234935180727 0.53898306448320 69.723 > 5 7 Ga 0.28196991373061 0.54592080514449 0.19907764876683 69.723 > 7 8 Ga 0.78196991373061 0.54592080514449 0.19907764876683 69.723 > 7 9 Ga 0.46803008626939 0.04592080514449 0.19907764876683 69.723 > 9 10 Ga 0.96803008626939 0.04592080514449 0.19907764876683 69.723 > 9 11 Ga 0.28196991373061 0.95407919485551 0.69907764876683 69.723 > 11 12 Ga 0.78196991373061 0.95407919485551 0.69907764876683 69.723 > 11 13 Ga 0.11659965193100 0.02765064819274 0.03898306448320 69.723 > 13 14 Ga 0.61659965193100 0.02765064819274 0.03898306448320 69.723 > 13 15 Ga 0.03196991373061 0.95407919485551 0.80092235123317 69.723 > 15 16 Ga 0.53196991373061 0.95407919485551 0.80092235123317 69.723 > 15 17 Ga 0.46803008626939 0.45407919485551 0.69907764876683 69.723 > 17 18 Ga 0.96803008626939 0.45407919485551 0.69907764876683 69.723 > 17 19 Ga 0.38340034806900 0.97234935180727 0.96101693551680 69.723 > 19 20 Ga 0.88340034806900 0.97234935180727 0.96101693551680 69.723 > 19 21 Ga 0.21803008626939 0.45407919485551 0.80092235123317 69.723 > 21 22 Ga 0.71803008626939 0.45407919485551 0.80092235123317 69.723 > 21 23 Ga 0.36659965193100 0.02765064819274 0.46101693551680 69.723 > 23 24 Ga 0.86659965193100 0.02765064819274 0.46101693551680 69.723 > 23 25 Ga 0.11659965193100 0.47234935180727 0.53898306448320 69.723 > 25 26 Ga 0.61659965193100 0.47234935180727 0.53898306448320 69.723 > 25 27 Ga 0.03196991373061 0.54592080514449 0.30092235123317 69.723 > 27 28 Ga 0.53196991373061 0.54592080514449 0.30092235123317 69.723 > 27 29 Ga 0.36659965193100 0.47234935180727 0.96101693551680 69.723 > 29 30 Ga 0.86659965193100 0.47234935180727 0.96101693551680 69.723 > 29 31 Ga 0.38340034806900 0.52765064819273 0.46101693551680 69.723 > 31 32 Ga 0.88340034806900 0.52765064819273 0.46101693551680 69.723 > 31 33 Pb 0.11902270577076 0.81027631098766 0.25493594685286 207.200 > 33 34 Pb 0.61902270577076 0.81027631098766 0.25493594685286 207.200 > 33 35 Pb 0.24646322404222 0.70281966335133 0.47798915316391 207.200 > 35 36 Pb 0.74646322404222 0.70281966335133 0.47798915316391 207.200 > 35 37 Pb 0.00353677595778 0.20281966335134 0.47798915316391 207.200 > 37 38 Pb 0.50353677595778 0.20281966335134 0.47798915316391 207.200 > 37 39 Pb 0.13097729422924 0.31027631098766 0.25493594685286 207.200 > 39 40 Pb 0.63097729422924 0.31027631098766 0.25493594685286 207.200 > 39 41 Pb 0.25353677595778 0.29718033664866 0.52201084683609 207.200 > 41 42 Pb 0.75353677595778 0.29718033664866 0.52201084683609 207.200 > 41 43 Pb 0.36902270577076 0.68972368901234 0.74506405314714 207.200 > 43 44 Pb 0.86902270577076 0.68972368901234 0.74506405314714 207.200 > 43 45 Pb 0.38097729422924 0.31027631098766 0.24506405314714 207.200 > 45 46 Pb 0.88097729422924 0.31027631098766 0.24506405314714 207.200 > 45 47 Pb 0.49646322404222 0.70281966335133 0.02201084683609 207.200 > 47 48 Pb 0.99646322404222 0.70281966335133 0.02201084683609 207.200 > 47 49 Pb 0.24646322404222 0.79718033664867 0.97798915316391 207.200 > 49 50 Pb 0.74646322404222 0.79718033664867 0.97798915316391 207.200 > 49 51 Pb 0.13097729422924 0.18972368901234 0.75493594685286 207.200 > 51 52 Pb 0.63097729422924 0.18972368901234 0.75493594685286 207.200 > 51 53 Pb 0.00353677595778 0.29718033664866 0.97798915316391 207.200 > 53 54 Pb 0.50353677595778 0.29718033664866 0.97798915316391 207.200 > 53 55 Pb 0.38097729422924 0.18972368901234 0.74506405314714 207.200 > 55 56 Pb 0.88097729422924 0.18972368901234 0.74506405314714 207.200 > 55 57 Pb 0.25353677595778 0.20281966335134 0.02201084683609 207.200 > 57 58 Pb 0.75353677595778 0.20281966335134 0.02201084683609 207.200 > 57 59 Pb 0.49646322404222 0.79718033664867 0.52201084683609 207.200 > 59 60 Pb 0.99646322404222 0.79718033664867 0.52201084683609 207.200 > 59 61 Pb 0.36902270577076 0.81027631098766 0.24506405314714 207.200 > 61 62 Pb 0.86902270577076 0.81027631098766 0.24506405314714 207.200 > 61 63 Pb 0.11902270577076 0.68972368901234 0.75493594685286 207.200 > 63 64 Pb 0.61902270577076 0.68972368901234 0.75493594685286 207.200 > 63 65 S 0.36983248833079 0.46447268647917 0.63940031363987 32.065 > 65 66 S 0.86983248833079 0.46447268647917 0.63940031363987 32.065 > 65 67 S 0.11983248833079 0.46447268647917 0.86059968636013 32.065 > 67 68 S 0.61983248833079 0.46447268647917 0.86059968636013 32.065 > 67 69 S 0.00310468251279 0.71912363765359 0.29011752173754 32.065 > 69 70 S 0.50310468251279 0.71912363765359 0.29011752173754 32.065 > 69 71 S 0.29412513001068 0.02618197634527 0.87753886024828 32.065 > 71 72 S 0.79412513001068 0.02618197634527 0.87753886024828 32.065 > 71 73 S 0.03625861601473 0.56750307990662 0.61182843950041 32.065 > 73 74 S 0.53625861601473 0.56750307990662 0.61182843950041 32.065 > 73 75 S 0.21374138398527 0.06750307990662 0.61182843950041 32.065 > 75 76 S 0.71374138398527 0.06750307990662 0.61182843950041 32.065 > 75 77 S 0.13016751166921 0.53552731352083 0.36059968636013 32.065 > 77 78 S 0.63016751166921 0.53552731352083 0.36059968636013 32.065 > 77 79 S 0.49689531748721 0.21912363765359 0.20988247826246 32.065 > 79 80 S 0.99689531748721 0.21912363765359 0.20988247826246 32.065 > 79 81 S 0.11983248833079 0.03552731352083 0.36059968636013 32.065 > 81 82 S 0.61983248833079 0.03552731352083 0.36059968636013 32.065 > 81 83 S 0.49689531748721 0.28087636234641 0.70988247826246 32.065 > 83 84 S 0.99689531748721 0.28087636234641 0.70988247826246 32.065 > 83 85 S 0.37775766287884 0.79107647307186 0.97498019473178 32.065 > 85 86 S 0.87775766287884 0.79107647307186 0.97498019473178 32.065 > 85 87 S 0.37224233712116 0.29107647307186 0.97498019473178 32.065 > 87 88 S 0.87224233712116 0.29107647307186 0.97498019473178 32.065 > 87 89 S 0.28625861601473 0.93249692009338 0.38817156049959 32.065 > 89 90 S 0.78625861601473 0.93249692009338 0.38817156049959 32.065 > 89 91 S 0.04412513001068 0.02618197634527 0.62246113975172 32.065 > 91 92 S 0.54412513001068 0.02618197634527 0.62246113975172 32.065 > 91 93 S 0.12775766287884 0.70892352692814 0.02501980526822 32.065 > 93 94 S 0.62775766287884 0.70892352692814 0.02501980526822 32.065 > 93 95 S 0.38016751166921 0.53552731352083 0.13940031363987 32.065 > 95 96 S 0.88016751166921 0.53552731352083 0.13940031363987 32.065 > 95 97 S 0.45587486998932 0.97381802365473 0.37753886024828 32.065 > 97 98 S 0.95587486998932 0.97381802365473 0.37753886024828 32.065 > 97 99 S 0.12224233712116 0.29107647307186 0.52501980526822 32.065 > 99 100 S 0.62224233712116 0.29107647307186 0.52501980526822 32.065 > 99 101 S 0.25310468251279 0.78087636234641 0.70988247826246 32.065 > 101 102 S 0.75310468251279 0.78087636234641 0.70988247826246 32.065 > 101 103 S 0.36983248833079 0.03552731352083 0.13940031363987 32.065 > 103 104 S 0.86983248833079 0.03552731352083 0.13940031363987 32.065 > 103 105 S 0.20587486998932 0.97381802365473 0.12246113975172 32.065 > 105 106 S 0.70587486998932 0.97381802365473 0.12246113975172 32.065 > 105 107 S 0.12775766287884 0.79107647307186 0.52501980526822 32.065 > 107 108 S 0.62775766287884 0.79107647307186 0.52501980526822 32.065 > 107 109 S 0.12224233712116 0.20892352692814 0.02501980526822 32.065 > 109 110 S 0.62224233712116 0.20892352692814 0.02501980526822 32.065 > 109 111 S 0.28625861601473 0.56750307990662 0.88817156049959 32.065 > 111 112 S 0.78625861601473 0.56750307990662 0.88817156049959 32.065 > 111 113 S 0.46374138398527 0.43249692009338 0.38817156049959 32.065 > 113 114 S 0.96374138398527 0.43249692009338 0.38817156049959 32.065 > 113 115 S 0.45587486998932 0.52618197634527 0.87753886024828 32.065 > 115 116 S 0.95587486998932 0.52618197634527 0.87753886024828 32.065 > 115 117 S 0.46374138398527 0.06750307990662 0.88817156049959 32.065 > 117 118 S 0.96374138398527 0.06750307990662 0.88817156049959 32.065 > 117 119 S 0.03625861601473 0.93249692009338 0.11182843950041 32.065 > 119 120 S 0.53625861601473 0.93249692009338 0.11182843950041 32.065 > 119 121 S 0.13016751166921 0.96447268647917 0.86059968636013 32.065 > 121 122 S 0.63016751166921 0.96447268647917 0.86059968636013 32.065 > 121 123 S 0.21374138398527 0.43249692009338 0.11182843950041 32.065 > 123 124 S 0.71374138398527 0.43249692009338 0.11182843950041 32.065 > 123 125 S 0.37224233712116 0.20892352692814 0.47498019473178 32.065 > 125 126 S 0.87224233712116 0.20892352692814 0.47498019473178 32.065 > 125 127 S 0.20587486998932 0.52618197634527 0.62246113975172 32.065 > 127 128 S 0.70587486998932 0.52618197634527 0.62246113975172 32.065 > 127 129 S 0.38016751166921 0.96447268647917 0.63940031363987 32.065 > 129 130 S 0.88016751166921 0.96447268647917 0.63940031363987 32.065 > 129 131 S 0.25310468251279 0.71912363765359 0.20988247826246 32.065 > 131 132 S 0.75310468251279 0.71912363765359 0.20988247826246 32.065 > 131 133 S 0.00310468251279 0.78087636234641 0.79011752173754 32.065 > 133 134 S 0.50310468251279 0.78087636234641 0.79011752173754 32.065 > 133 135 S 0.04412513001068 0.47381802365473 0.12246113975172 32.065 > 135 136 S 0.54412513001068 0.47381802365473 0.12246113975172 32.065 > 135 137 S 0.24689531748721 0.28087636234641 0.79011752173754 32.065 > 137 138 S 0.74689531748721 0.28087636234641 0.79011752173754 32.065 > 137 139 S 0.29412513001068 0.47381802365473 0.37753886024828 32.065 > 139 140 S 0.79412513001068 0.47381802365473 0.37753886024828 32.065 > 139 141 S 0.24689531748721 0.21912363765359 0.29011752173754 32.065 > 141 142 S 0.74689531748721 0.21912363765359 0.29011752173754 32.065 > 141 143 S 0.37775766287884 0.70892352692814 0.47498019473178 32.065 > 143 144 S 0.87775766287884 0.70892352692814 0.47498019473178 32.065 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.8654341 0.0000000 0.0000000 0.0000000 9.0034873 0.0000000 0.0000000 0.0000000 9.9229244 -------------------------- Born effective charges -------------------------- 1 Ga 2.4719327 -0.3683902 -0.1973287 -0.3198384 2.7199028 -0.5102056 0.1637017 -0.1496031 2.6200613 2 Ga 2.6502064 -0.1324806 0.4688855 0.2342618 2.9531189 -0.0022743 -0.0211947 0.0586018 2.7673065 3 Ga 2.4719327 0.3683902 -0.1973287 0.3198384 2.7199028 0.5102056 0.1637017 0.1496031 2.6200613 4 Ga 2.6502064 0.1324806 0.4688855 -0.2342618 2.9531189 0.0022743 -0.0211947 -0.0586018 2.7673065 5 Ga 2.6502064 -0.1324806 -0.4688855 0.2342618 2.9531189 0.0022743 0.0211947 -0.0586018 2.7673065 6 Ga 2.6502064 -0.1324806 0.4688855 0.2342618 2.9531189 -0.0022743 -0.0211947 0.0586018 2.7673065 7 Ga 2.4719327 0.3683902 0.1973287 0.3198384 2.7199028 -0.5102056 -0.1637017 -0.1496031 2.6200613 8 Ga 2.6502064 -0.1324806 -0.4688855 0.2342618 2.9531189 0.0022743 0.0211947 -0.0586018 2.7673065 9 Ga 2.6502064 0.1324806 -0.4688855 -0.2342618 2.9531189 -0.0022743 0.0211947 0.0586018 2.7673065 10 Ga 2.4719327 0.3683902 0.1973287 0.3198384 2.7199028 -0.5102056 -0.1637017 -0.1496031 2.6200613 11 Ga 2.6502064 0.1324806 0.4688855 -0.2342618 2.9531189 0.0022743 -0.0211947 -0.0586018 2.7673065 12 Ga 2.4719327 0.3683902 -0.1973287 0.3198384 2.7199028 0.5102056 0.1637017 0.1496031 2.6200613 13 Ga 2.4719327 -0.3683902 0.1973287 -0.3198384 2.7199028 0.5102056 -0.1637017 0.1496031 2.6200613 14 Ga 2.6502064 0.1324806 -0.4688855 -0.2342618 2.9531189 -0.0022743 0.0211947 0.0586018 2.7673065 15 Ga 2.4719327 -0.3683902 -0.1973287 -0.3198384 2.7199028 -0.5102056 0.1637017 -0.1496031 2.6200613 16 Ga 2.4719327 -0.3683902 0.1973287 -0.3198384 2.7199028 0.5102056 -0.1637017 0.1496031 2.6200613 17 Pb 3.8300527 0.3085481 -0.0578542 0.2740212 3.5896459 -0.0625798 -0.2335984 0.1901856 4.0776637 18 Pb 4.8923229 -0.1747415 -0.9258927 0.0215403 3.5283906 0.0252116 -0.7326609 0.1468834 4.3485120 19 Pb 4.8923229 0.1747415 0.9258927 -0.0215403 3.5283906 0.0252116 0.7326609 0.1468834 4.3485120 20 Pb 3.8300527 -0.3085481 0.0578542 -0.2740212 3.5896459 -0.0625798 0.2335984 0.1901856 4.0776637 21 Pb 4.8923229 -0.1747415 -0.9258927 0.0215403 3.5283906 0.0252116 -0.7326609 0.1468834 4.3485120 22 Pb 3.8300527 -0.3085481 0.0578542 -0.2740212 3.5896459 -0.0625798 0.2335984 0.1901856 4.0776637 23 Pb 3.8300527 -0.3085481 -0.0578542 -0.2740212 3.5896459 0.0625798 -0.2335984 -0.1901856 4.0776637 24 Pb 4.8923229 -0.1747415 0.9258927 0.0215403 3.5283906 -0.0252116 0.7326609 -0.1468834 4.3485120 25 Pb 4.8923229 0.1747415 -0.9258927 -0.0215403 3.5283906 -0.0252116 -0.7326609 -0.1468834 4.3485120 26 Pb 3.8300527 0.3085481 0.0578542 0.2740212 3.5896459 0.0625798 0.2335984 -0.1901856 4.0776637 27 Pb 4.8923229 -0.1747415 0.9258927 0.0215403 3.5283906 -0.0252116 0.7326609 -0.1468834 4.3485120 28 Pb 3.8300527 0.3085481 -0.0578542 0.2740212 3.5896459 -0.0625798 -0.2335984 0.1901856 4.0776637 29 Pb 4.8923229 0.1747415 -0.9258927 -0.0215403 3.5283906 -0.0252116 -0.7326609 -0.1468834 4.3485120 30 Pb 4.8923229 0.1747415 0.9258927 -0.0215403 3.5283906 0.0252116 0.7326609 0.1468834 4.3485120 31 Pb 3.8300527 0.3085481 0.0578542 0.2740212 3.5896459 0.0625798 0.2335984 -0.1901856 4.0776637 32 Pb 3.8300527 -0.3085481 -0.0578542 -0.2740212 3.5896459 0.0625798 -0.2335984 -0.1901856 4.0776637 33 S -2.0028216 0.1950760 -0.3612090 0.0832909 -2.4460235 -0.0004642 -0.5209369 -0.1793415 -2.7159325 34 S -2.0028216 0.1950760 0.3612090 0.0832909 -2.4460235 0.0004642 0.5209369 0.1793415 -2.7159325 35 S -2.6790043 -0.1263200 -0.0130361 -0.1494328 -2.5433415 -0.2949961 0.2775561 -0.3628763 -3.4177385 36 S -2.1874388 -0.1658954 0.1662996 -0.1305493 -2.8037088 -0.2673328 -0.0480642 -0.1926990 -3.0693954 37 S -2.7414977 -0.1962198 0.2303100 -0.1731178 -2.5757856 -0.0807623 0.2472335 -0.0732697 -1.7647392 38 S -2.7414977 0.1962198 -0.2303100 0.1731178 -2.5757856 -0.0807623 -0.2472335 -0.0732697 -1.7647392 39 S -2.0028216 0.1950760 -0.3612090 0.0832909 -2.4460235 -0.0004642 -0.5209369 -0.1793415 -2.7159325 40 S -2.6790043 0.1263200 -0.0130361 0.1494328 -2.5433415 0.2949961 0.2775561 0.3628763 -3.4177385 41 S -2.0028216 -0.1950760 0.3612090 -0.0832909 -2.4460235 -0.0004642 0.5209369 -0.1793415 -2.7159325 42 S -2.6790043 -0.1263200 -0.0130361 -0.1494328 -2.5433415 -0.2949961 0.2775561 -0.3628763 -3.4177385 43 S -4.2337525 0.6056147 -0.3779171 0.2210642 -2.4221988 -0.4467928 -0.1337129 -0.4518729 -2.8457378 44 S -4.2337525 -0.6056147 0.3779171 -0.2210642 -2.4221988 -0.4467928 0.1337129 -0.4518729 -2.8457378 45 S -2.7414977 0.1962198 -0.2303100 0.1731178 -2.5757856 -0.0807623 -0.2472335 -0.0732697 -1.7647392 46 S -2.1874388 -0.1658954 -0.1662996 -0.1305493 -2.8037088 0.2673328 0.0480642 0.1926990 -3.0693954 47 S -4.2337525 -0.6056147 0.3779171 -0.2210642 -2.4221988 -0.4467928 0.1337129 -0.4518729 -2.8457378 48 S -2.0028216 0.1950760 0.3612090 0.0832909 -2.4460235 0.0004642 0.5209369 0.1793415 -2.7159325 49 S -2.1874388 -0.1658954 -0.1662996 -0.1305493 -2.8037088 0.2673328 0.0480642 0.1926990 -3.0693954 50 S -4.2337525 -0.6056147 -0.3779171 -0.2210642 -2.4221988 0.4467928 -0.1337129 0.4518729 -2.8457378 51 S -2.6790043 0.1263200 0.0130361 0.1494328 -2.5433415 -0.2949961 -0.2775561 -0.3628763 -3.4177385 52 S -2.0028216 -0.1950760 -0.3612090 -0.0832909 -2.4460235 0.0004642 -0.5209369 0.1793415 -2.7159325 53 S -2.1874388 -0.1658954 0.1662996 -0.1305493 -2.8037088 -0.2673328 -0.0480642 -0.1926990 -3.0693954 54 S -4.2337525 0.6056147 0.3779171 0.2210642 -2.4221988 0.4467928 0.1337129 0.4518729 -2.8457378 55 S -4.2337525 0.6056147 -0.3779171 0.2210642 -2.4221988 -0.4467928 -0.1337129 -0.4518729 -2.8457378 56 S -2.7414977 -0.1962198 -0.2303100 -0.1731178 -2.5757856 0.0807623 -0.2472335 0.0732697 -1.7647392 57 S -2.7414977 -0.1962198 0.2303100 -0.1731178 -2.5757856 -0.0807623 0.2472335 -0.0732697 -1.7647392 58 S -2.1874388 0.1658954 -0.1662996 0.1305493 -2.8037088 -0.2673328 0.0480642 -0.1926990 -3.0693954 59 S -2.7414977 0.1962198 0.2303100 0.1731178 -2.5757856 0.0807623 0.2472335 0.0732697 -1.7647392 60 S -2.7414977 0.1962198 0.2303100 0.1731178 -2.5757856 0.0807623 0.2472335 0.0732697 -1.7647392 61 S -2.0028216 -0.1950760 -0.3612090 -0.0832909 -2.4460235 0.0004642 -0.5209369 0.1793415 -2.7159325 62 S -2.7414977 -0.1962198 -0.2303100 -0.1731178 -2.5757856 0.0807623 -0.2472335 0.0732697 -1.7647392 63 S -4.2337525 0.6056147 0.3779171 0.2210642 -2.4221988 0.4467928 0.1337129 0.4518729 -2.8457378 64 S -2.1874388 0.1658954 0.1662996 0.1305493 -2.8037088 0.2673328 -0.0480642 0.1926990 -3.0693954 65 S -2.0028216 -0.1950760 0.3612090 -0.0832909 -2.4460235 -0.0004642 0.5209369 -0.1793415 -2.7159325 66 S -2.6790043 -0.1263200 0.0130361 -0.1494328 -2.5433415 0.2949961 -0.2775561 0.3628763 -3.4177385 67 S -2.6790043 0.1263200 -0.0130361 0.1494328 -2.5433415 0.2949961 0.2775561 0.3628763 -3.4177385 68 S -2.1874388 0.1658954 -0.1662996 0.1305493 -2.8037088 -0.2673328 0.0480642 -0.1926990 -3.0693954 69 S -2.6790043 -0.1263200 0.0130361 -0.1494328 -2.5433415 0.2949961 -0.2775561 0.3628763 -3.4177385 70 S -2.1874388 0.1658954 0.1662996 0.1305493 -2.8037088 0.2673328 -0.0480642 0.1926990 -3.0693954 71 S -2.6790043 0.1263200 0.0130361 0.1494328 -2.5433415 -0.2949961 -0.2775561 -0.3628763 -3.4177385 72 S -4.2337525 -0.6056147 -0.3779171 -0.2210642 -2.4221988 0.4467928 -0.1337129 0.4518729 -2.8457378 ---------------------------------------------------------------------------- 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[ 3, 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, 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[ 85, 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:41:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:41:27]------------------------- 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 11.027835220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.324654349999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.877164750000000 Atomic positions (fractional): 1 Ga 0.26680069613801 0.52765064819273 0.03898306448320 69.723 2 Ga 0.43606017253878 0.04592080514449 0.30092235123317 69.723 3 Ga 0.26680069613801 0.97234935180727 0.53898306448320 69.723 4 Ga 0.56393982746122 0.54592080514449 0.19907764876683 69.723 5 Ga 0.93606017253878 0.04592080514449 0.19907764876683 69.723 6 Ga 0.56393982746122 0.95407919485551 0.69907764876683 69.723 7 Ga 0.23319930386199 0.02765064819274 0.03898306448320 69.723 8 Ga 0.06393982746122 0.95407919485551 0.80092235123317 69.723 9 Ga 0.93606017253878 0.45407919485551 0.69907764876683 69.723 10 Ga 0.76680069613800 0.97234935180727 0.96101693551680 69.723 11 Ga 0.43606017253878 0.45407919485551 0.80092235123317 69.723 12 Ga 0.73319930386200 0.02765064819274 0.46101693551680 69.723 13 Ga 0.23319930386199 0.47234935180727 0.53898306448320 69.723 14 Ga 0.06393982746122 0.54592080514449 0.30092235123317 69.723 15 Ga 0.73319930386200 0.47234935180727 0.96101693551680 69.723 16 Ga 0.76680069613800 0.52765064819273 0.46101693551680 69.723 17 Pb 0.23804541154153 0.81027631098766 0.25493594685286 207.200 18 Pb 0.49292644808444 0.70281966335133 0.47798915316391 207.200 19 Pb 0.00707355191556 0.20281966335134 0.47798915316391 207.200 20 Pb 0.26195458845848 0.31027631098766 0.25493594685286 207.200 21 Pb 0.50707355191556 0.29718033664866 0.52201084683609 207.200 22 Pb 0.73804541154153 0.68972368901234 0.74506405314714 207.200 23 Pb 0.76195458845847 0.31027631098766 0.24506405314714 207.200 24 Pb 0.99292644808444 0.70281966335133 0.02201084683609 207.200 25 Pb 0.49292644808444 0.79718033664867 0.97798915316391 207.200 26 Pb 0.26195458845848 0.18972368901234 0.75493594685286 207.200 27 Pb 0.00707355191556 0.29718033664866 0.97798915316391 207.200 28 Pb 0.76195458845847 0.18972368901234 0.74506405314714 207.200 29 Pb 0.50707355191556 0.20281966335134 0.02201084683609 207.200 30 Pb 0.99292644808444 0.79718033664867 0.52201084683609 207.200 31 Pb 0.73804541154153 0.81027631098766 0.24506405314714 207.200 32 Pb 0.23804541154153 0.68972368901234 0.75493594685286 207.200 33 S 0.73966497666157 0.46447268647917 0.63940031363987 32.065 34 S 0.23966497666157 0.46447268647917 0.86059968636013 32.065 35 S 0.00620936502558 0.71912363765359 0.29011752173754 32.065 36 S 0.58825026002136 0.02618197634527 0.87753886024828 32.065 37 S 0.07251723202946 0.56750307990662 0.61182843950041 32.065 38 S 0.42748276797054 0.06750307990662 0.61182843950041 32.065 39 S 0.26033502333843 0.53552731352083 0.36059968636013 32.065 40 S 0.99379063497442 0.21912363765359 0.20988247826246 32.065 41 S 0.23966497666157 0.03552731352083 0.36059968636013 32.065 42 S 0.99379063497442 0.28087636234641 0.70988247826246 32.065 43 S 0.75551532575768 0.79107647307186 0.97498019473178 32.065 44 S 0.74448467424232 0.29107647307186 0.97498019473178 32.065 45 S 0.57251723202946 0.93249692009338 0.38817156049959 32.065 46 S 0.08825026002136 0.02618197634527 0.62246113975172 32.065 47 S 0.25551532575768 0.70892352692814 0.02501980526822 32.065 48 S 0.76033502333843 0.53552731352083 0.13940031363987 32.065 49 S 0.91174973997864 0.97381802365473 0.37753886024828 32.065 50 S 0.24448467424232 0.29107647307186 0.52501980526822 32.065 51 S 0.50620936502558 0.78087636234641 0.70988247826246 32.065 52 S 0.73966497666157 0.03552731352083 0.13940031363987 32.065 53 S 0.41174973997864 0.97381802365473 0.12246113975172 32.065 54 S 0.25551532575768 0.79107647307186 0.52501980526822 32.065 55 S 0.24448467424232 0.20892352692814 0.02501980526822 32.065 56 S 0.57251723202946 0.56750307990662 0.88817156049959 32.065 57 S 0.92748276797054 0.43249692009338 0.38817156049959 32.065 58 S 0.91174973997864 0.52618197634527 0.87753886024828 32.065 59 S 0.92748276797054 0.06750307990662 0.88817156049959 32.065 60 S 0.07251723202946 0.93249692009338 0.11182843950041 32.065 61 S 0.26033502333843 0.96447268647917 0.86059968636013 32.065 62 S 0.42748276797054 0.43249692009338 0.11182843950041 32.065 63 S 0.74448467424232 0.20892352692814 0.47498019473178 32.065 64 S 0.41174973997864 0.52618197634527 0.62246113975172 32.065 65 S 0.76033502333843 0.96447268647917 0.63940031363987 32.065 66 S 0.50620936502558 0.71912363765359 0.20988247826246 32.065 67 S 0.00620936502558 0.78087636234641 0.79011752173754 32.065 68 S 0.08825026002136 0.47381802365473 0.12246113975172 32.065 69 S 0.49379063497442 0.28087636234641 0.79011752173754 32.065 70 S 0.58825026002136 0.47381802365473 0.37753886024828 32.065 71 S 0.49379063497442 0.21912363765359 0.29011752173754 32.065 72 S 0.75551532575768 0.70892352692814 0.47498019473178 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.055670440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.324654349999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.877164750000000 Atomic positions (fractional): 1 Ga 0.13340034806900 0.52765064819273 0.03898306448320 69.723 > 1 2 Ga 0.63340034806900 0.52765064819273 0.03898306448320 69.723 > 1 3 Ga 0.21803008626939 0.04592080514449 0.30092235123317 69.723 > 3 4 Ga 0.71803008626939 0.04592080514449 0.30092235123317 69.723 > 3 5 Ga 0.13340034806900 0.97234935180727 0.53898306448320 69.723 > 5 6 Ga 0.63340034806900 0.97234935180727 0.53898306448320 69.723 > 5 7 Ga 0.28196991373061 0.54592080514449 0.19907764876683 69.723 > 7 8 Ga 0.78196991373061 0.54592080514449 0.19907764876683 69.723 > 7 9 Ga 0.46803008626939 0.04592080514449 0.19907764876683 69.723 > 9 10 Ga 0.96803008626939 0.04592080514449 0.19907764876683 69.723 > 9 11 Ga 0.28196991373061 0.95407919485551 0.69907764876683 69.723 > 11 12 Ga 0.78196991373061 0.95407919485551 0.69907764876683 69.723 > 11 13 Ga 0.11659965193100 0.02765064819274 0.03898306448320 69.723 > 13 14 Ga 0.61659965193100 0.02765064819274 0.03898306448320 69.723 > 13 15 Ga 0.03196991373061 0.95407919485551 0.80092235123317 69.723 > 15 16 Ga 0.53196991373061 0.95407919485551 0.80092235123317 69.723 > 15 17 Ga 0.46803008626939 0.45407919485551 0.69907764876683 69.723 > 17 18 Ga 0.96803008626939 0.45407919485551 0.69907764876683 69.723 > 17 19 Ga 0.38340034806900 0.97234935180727 0.96101693551680 69.723 > 19 20 Ga 0.88340034806900 0.97234935180727 0.96101693551680 69.723 > 19 21 Ga 0.21803008626939 0.45407919485551 0.80092235123317 69.723 > 21 22 Ga 0.71803008626939 0.45407919485551 0.80092235123317 69.723 > 21 23 Ga 0.36659965193100 0.02765064819274 0.46101693551680 69.723 > 23 24 Ga 0.86659965193100 0.02765064819274 0.46101693551680 69.723 > 23 25 Ga 0.11659965193100 0.47234935180727 0.53898306448320 69.723 > 25 26 Ga 0.61659965193100 0.47234935180727 0.53898306448320 69.723 > 25 27 Ga 0.03196991373061 0.54592080514449 0.30092235123317 69.723 > 27 28 Ga 0.53196991373061 0.54592080514449 0.30092235123317 69.723 > 27 29 Ga 0.36659965193100 0.47234935180727 0.96101693551680 69.723 > 29 30 Ga 0.86659965193100 0.47234935180727 0.96101693551680 69.723 > 29 31 Ga 0.38340034806900 0.52765064819273 0.46101693551680 69.723 > 31 32 Ga 0.88340034806900 0.52765064819273 0.46101693551680 69.723 > 31 33 Pb 0.11902270577076 0.81027631098766 0.25493594685286 207.200 > 33 34 Pb 0.61902270577076 0.81027631098766 0.25493594685286 207.200 > 33 35 Pb 0.24646322404222 0.70281966335133 0.47798915316391 207.200 > 35 36 Pb 0.74646322404222 0.70281966335133 0.47798915316391 207.200 > 35 37 Pb 0.00353677595778 0.20281966335134 0.47798915316391 207.200 > 37 38 Pb 0.50353677595778 0.20281966335134 0.47798915316391 207.200 > 37 39 Pb 0.13097729422924 0.31027631098766 0.25493594685286 207.200 > 39 40 Pb 0.63097729422924 0.31027631098766 0.25493594685286 207.200 > 39 41 Pb 0.25353677595778 0.29718033664866 0.52201084683609 207.200 > 41 42 Pb 0.75353677595778 0.29718033664866 0.52201084683609 207.200 > 41 43 Pb 0.36902270577076 0.68972368901234 0.74506405314714 207.200 > 43 44 Pb 0.86902270577076 0.68972368901234 0.74506405314714 207.200 > 43 45 Pb 0.38097729422924 0.31027631098766 0.24506405314714 207.200 > 45 46 Pb 0.88097729422924 0.31027631098766 0.24506405314714 207.200 > 45 47 Pb 0.49646322404222 0.70281966335133 0.02201084683609 207.200 > 47 48 Pb 0.99646322404222 0.70281966335133 0.02201084683609 207.200 > 47 49 Pb 0.24646322404222 0.79718033664867 0.97798915316391 207.200 > 49 50 Pb 0.74646322404222 0.79718033664867 0.97798915316391 207.200 > 49 51 Pb 0.13097729422924 0.18972368901234 0.75493594685286 207.200 > 51 52 Pb 0.63097729422924 0.18972368901234 0.75493594685286 207.200 > 51 53 Pb 0.00353677595778 0.29718033664866 0.97798915316391 207.200 > 53 54 Pb 0.50353677595778 0.29718033664866 0.97798915316391 207.200 > 53 55 Pb 0.38097729422924 0.18972368901234 0.74506405314714 207.200 > 55 56 Pb 0.88097729422924 0.18972368901234 0.74506405314714 207.200 > 55 57 Pb 0.25353677595778 0.20281966335134 0.02201084683609 207.200 > 57 58 Pb 0.75353677595778 0.20281966335134 0.02201084683609 207.200 > 57 59 Pb 0.49646322404222 0.79718033664867 0.52201084683609 207.200 > 59 60 Pb 0.99646322404222 0.79718033664867 0.52201084683609 207.200 > 59 61 Pb 0.36902270577076 0.81027631098766 0.24506405314714 207.200 > 61 62 Pb 0.86902270577076 0.81027631098766 0.24506405314714 207.200 > 61 63 Pb 0.11902270577076 0.68972368901234 0.75493594685286 207.200 > 63 64 Pb 0.61902270577076 0.68972368901234 0.75493594685286 207.200 > 63 65 S 0.36983248833079 0.46447268647917 0.63940031363987 32.065 > 65 66 S 0.86983248833079 0.46447268647917 0.63940031363987 32.065 > 65 67 S 0.11983248833079 0.46447268647917 0.86059968636013 32.065 > 67 68 S 0.61983248833079 0.46447268647917 0.86059968636013 32.065 > 67 69 S 0.00310468251279 0.71912363765359 0.29011752173754 32.065 > 69 70 S 0.50310468251279 0.71912363765359 0.29011752173754 32.065 > 69 71 S 0.29412513001068 0.02618197634527 0.87753886024828 32.065 > 71 72 S 0.79412513001068 0.02618197634527 0.87753886024828 32.065 > 71 73 S 0.03625861601473 0.56750307990662 0.61182843950041 32.065 > 73 74 S 0.53625861601473 0.56750307990662 0.61182843950041 32.065 > 73 75 S 0.21374138398527 0.06750307990662 0.61182843950041 32.065 > 75 76 S 0.71374138398527 0.06750307990662 0.61182843950041 32.065 > 75 77 S 0.13016751166921 0.53552731352083 0.36059968636013 32.065 > 77 78 S 0.63016751166921 0.53552731352083 0.36059968636013 32.065 > 77 79 S 0.49689531748721 0.21912363765359 0.20988247826246 32.065 > 79 80 S 0.99689531748721 0.21912363765359 0.20988247826246 32.065 > 79 81 S 0.11983248833079 0.03552731352083 0.36059968636013 32.065 > 81 82 S 0.61983248833079 0.03552731352083 0.36059968636013 32.065 > 81 83 S 0.49689531748721 0.28087636234641 0.70988247826246 32.065 > 83 84 S 0.99689531748721 0.28087636234641 0.70988247826246 32.065 > 83 85 S 0.37775766287884 0.79107647307186 0.97498019473178 32.065 > 85 86 S 0.87775766287884 0.79107647307186 0.97498019473178 32.065 > 85 87 S 0.37224233712116 0.29107647307186 0.97498019473178 32.065 > 87 88 S 0.87224233712116 0.29107647307186 0.97498019473178 32.065 > 87 89 S 0.28625861601473 0.93249692009338 0.38817156049959 32.065 > 89 90 S 0.78625861601473 0.93249692009338 0.38817156049959 32.065 > 89 91 S 0.04412513001068 0.02618197634527 0.62246113975172 32.065 > 91 92 S 0.54412513001068 0.02618197634527 0.62246113975172 32.065 > 91 93 S 0.12775766287884 0.70892352692814 0.02501980526822 32.065 > 93 94 S 0.62775766287884 0.70892352692814 0.02501980526822 32.065 > 93 95 S 0.38016751166921 0.53552731352083 0.13940031363987 32.065 > 95 96 S 0.88016751166921 0.53552731352083 0.13940031363987 32.065 > 95 97 S 0.45587486998932 0.97381802365473 0.37753886024828 32.065 > 97 98 S 0.95587486998932 0.97381802365473 0.37753886024828 32.065 > 97 99 S 0.12224233712116 0.29107647307186 0.52501980526822 32.065 > 99 100 S 0.62224233712116 0.29107647307186 0.52501980526822 32.065 > 99 101 S 0.25310468251279 0.78087636234641 0.70988247826246 32.065 > 101 102 S 0.75310468251279 0.78087636234641 0.70988247826246 32.065 > 101 103 S 0.36983248833079 0.03552731352083 0.13940031363987 32.065 > 103 104 S 0.86983248833079 0.03552731352083 0.13940031363987 32.065 > 103 105 S 0.20587486998932 0.97381802365473 0.12246113975172 32.065 > 105 106 S 0.70587486998932 0.97381802365473 0.12246113975172 32.065 > 105 107 S 0.12775766287884 0.79107647307186 0.52501980526822 32.065 > 107 108 S 0.62775766287884 0.79107647307186 0.52501980526822 32.065 > 107 109 S 0.12224233712116 0.20892352692814 0.02501980526822 32.065 > 109 110 S 0.62224233712116 0.20892352692814 0.02501980526822 32.065 > 109 111 S 0.28625861601473 0.56750307990662 0.88817156049959 32.065 > 111 112 S 0.78625861601473 0.56750307990662 0.88817156049959 32.065 > 111 113 S 0.46374138398527 0.43249692009338 0.38817156049959 32.065 > 113 114 S 0.96374138398527 0.43249692009338 0.38817156049959 32.065 > 113 115 S 0.45587486998932 0.52618197634527 0.87753886024828 32.065 > 115 116 S 0.95587486998932 0.52618197634527 0.87753886024828 32.065 > 115 117 S 0.46374138398527 0.06750307990662 0.88817156049959 32.065 > 117 118 S 0.96374138398527 0.06750307990662 0.88817156049959 32.065 > 117 119 S 0.03625861601473 0.93249692009338 0.11182843950041 32.065 > 119 120 S 0.53625861601473 0.93249692009338 0.11182843950041 32.065 > 119 121 S 0.13016751166921 0.96447268647917 0.86059968636013 32.065 > 121 122 S 0.63016751166921 0.96447268647917 0.86059968636013 32.065 > 121 123 S 0.21374138398527 0.43249692009338 0.11182843950041 32.065 > 123 124 S 0.71374138398527 0.43249692009338 0.11182843950041 32.065 > 123 125 S 0.37224233712116 0.20892352692814 0.47498019473178 32.065 > 125 126 S 0.87224233712116 0.20892352692814 0.47498019473178 32.065 > 125 127 S 0.20587486998932 0.52618197634527 0.62246113975172 32.065 > 127 128 S 0.70587486998932 0.52618197634527 0.62246113975172 32.065 > 127 129 S 0.38016751166921 0.96447268647917 0.63940031363987 32.065 > 129 130 S 0.88016751166921 0.96447268647917 0.63940031363987 32.065 > 129 131 S 0.25310468251279 0.71912363765359 0.20988247826246 32.065 > 131 132 S 0.75310468251279 0.71912363765359 0.20988247826246 32.065 > 131 133 S 0.00310468251279 0.78087636234641 0.79011752173754 32.065 > 133 134 S 0.50310468251279 0.78087636234641 0.79011752173754 32.065 > 133 135 S 0.04412513001068 0.47381802365473 0.12246113975172 32.065 > 135 136 S 0.54412513001068 0.47381802365473 0.12246113975172 32.065 > 135 137 S 0.24689531748721 0.28087636234641 0.79011752173754 32.065 > 137 138 S 0.74689531748721 0.28087636234641 0.79011752173754 32.065 > 137 139 S 0.29412513001068 0.47381802365473 0.37753886024828 32.065 > 139 140 S 0.79412513001068 0.47381802365473 0.37753886024828 32.065 > 139 141 S 0.24689531748721 0.21912363765359 0.29011752173754 32.065 > 141 142 S 0.74689531748721 0.21912363765359 0.29011752173754 32.065 > 141 143 S 0.37775766287884 0.70892352692814 0.47498019473178 32.065 > 143 144 S 0.87775766287884 0.70892352692814 0.47498019473178 32.065 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.8654341 0.0000000 0.0000000 0.0000000 9.0034873 0.0000000 0.0000000 0.0000000 9.9229244 -------------------------- Born effective charges -------------------------- 1 Ga 2.4719327 -0.3683902 -0.1973287 -0.3198384 2.7199028 -0.5102056 0.1637017 -0.1496031 2.6200613 2 Ga 2.6502064 -0.1324806 0.4688855 0.2342618 2.9531189 -0.0022743 -0.0211947 0.0586018 2.7673065 3 Ga 2.4719327 0.3683902 -0.1973287 0.3198384 2.7199028 0.5102056 0.1637017 0.1496031 2.6200613 4 Ga 2.6502064 0.1324806 0.4688855 -0.2342618 2.9531189 0.0022743 -0.0211947 -0.0586018 2.7673065 5 Ga 2.6502064 -0.1324806 -0.4688855 0.2342618 2.9531189 0.0022743 0.0211947 -0.0586018 2.7673065 6 Ga 2.6502064 -0.1324806 0.4688855 0.2342618 2.9531189 -0.0022743 -0.0211947 0.0586018 2.7673065 7 Ga 2.4719327 0.3683902 0.1973287 0.3198384 2.7199028 -0.5102056 -0.1637017 -0.1496031 2.6200613 8 Ga 2.6502064 -0.1324806 -0.4688855 0.2342618 2.9531189 0.0022743 0.0211947 -0.0586018 2.7673065 9 Ga 2.6502064 0.1324806 -0.4688855 -0.2342618 2.9531189 -0.0022743 0.0211947 0.0586018 2.7673065 10 Ga 2.4719327 0.3683902 0.1973287 0.3198384 2.7199028 -0.5102056 -0.1637017 -0.1496031 2.6200613 11 Ga 2.6502064 0.1324806 0.4688855 -0.2342618 2.9531189 0.0022743 -0.0211947 -0.0586018 2.7673065 12 Ga 2.4719327 0.3683902 -0.1973287 0.3198384 2.7199028 0.5102056 0.1637017 0.1496031 2.6200613 13 Ga 2.4719327 -0.3683902 0.1973287 -0.3198384 2.7199028 0.5102056 -0.1637017 0.1496031 2.6200613 14 Ga 2.6502064 0.1324806 -0.4688855 -0.2342618 2.9531189 -0.0022743 0.0211947 0.0586018 2.7673065 15 Ga 2.4719327 -0.3683902 -0.1973287 -0.3198384 2.7199028 -0.5102056 0.1637017 -0.1496031 2.6200613 16 Ga 2.4719327 -0.3683902 0.1973287 -0.3198384 2.7199028 0.5102056 -0.1637017 0.1496031 2.6200613 17 Pb 3.8300527 0.3085481 -0.0578542 0.2740212 3.5896459 -0.0625798 -0.2335984 0.1901856 4.0776637 18 Pb 4.8923229 -0.1747415 -0.9258927 0.0215403 3.5283906 0.0252116 -0.7326609 0.1468834 4.3485120 19 Pb 4.8923229 0.1747415 0.9258927 -0.0215403 3.5283906 0.0252116 0.7326609 0.1468834 4.3485120 20 Pb 3.8300527 -0.3085481 0.0578542 -0.2740212 3.5896459 -0.0625798 0.2335984 0.1901856 4.0776637 21 Pb 4.8923229 -0.1747415 -0.9258927 0.0215403 3.5283906 0.0252116 -0.7326609 0.1468834 4.3485120 22 Pb 3.8300527 -0.3085481 0.0578542 -0.2740212 3.5896459 -0.0625798 0.2335984 0.1901856 4.0776637 23 Pb 3.8300527 -0.3085481 -0.0578542 -0.2740212 3.5896459 0.0625798 -0.2335984 -0.1901856 4.0776637 24 Pb 4.8923229 -0.1747415 0.9258927 0.0215403 3.5283906 -0.0252116 0.7326609 -0.1468834 4.3485120 25 Pb 4.8923229 0.1747415 -0.9258927 -0.0215403 3.5283906 -0.0252116 -0.7326609 -0.1468834 4.3485120 26 Pb 3.8300527 0.3085481 0.0578542 0.2740212 3.5896459 0.0625798 0.2335984 -0.1901856 4.0776637 27 Pb 4.8923229 -0.1747415 0.9258927 0.0215403 3.5283906 -0.0252116 0.7326609 -0.1468834 4.3485120 28 Pb 3.8300527 0.3085481 -0.0578542 0.2740212 3.5896459 -0.0625798 -0.2335984 0.1901856 4.0776637 29 Pb 4.8923229 0.1747415 -0.9258927 -0.0215403 3.5283906 -0.0252116 -0.7326609 -0.1468834 4.3485120 30 Pb 4.8923229 0.1747415 0.9258927 -0.0215403 3.5283906 0.0252116 0.7326609 0.1468834 4.3485120 31 Pb 3.8300527 0.3085481 0.0578542 0.2740212 3.5896459 0.0625798 0.2335984 -0.1901856 4.0776637 32 Pb 3.8300527 -0.3085481 -0.0578542 -0.2740212 3.5896459 0.0625798 -0.2335984 -0.1901856 4.0776637 33 S -2.0028216 0.1950760 -0.3612090 0.0832909 -2.4460235 -0.0004642 -0.5209369 -0.1793415 -2.7159325 34 S -2.0028216 0.1950760 0.3612090 0.0832909 -2.4460235 0.0004642 0.5209369 0.1793415 -2.7159325 35 S -2.6790043 -0.1263200 -0.0130361 -0.1494328 -2.5433415 -0.2949961 0.2775561 -0.3628763 -3.4177385 36 S -2.1874388 -0.1658954 0.1662996 -0.1305493 -2.8037088 -0.2673328 -0.0480642 -0.1926990 -3.0693954 37 S -2.7414977 -0.1962198 0.2303100 -0.1731178 -2.5757856 -0.0807623 0.2472335 -0.0732697 -1.7647392 38 S -2.7414977 0.1962198 -0.2303100 0.1731178 -2.5757856 -0.0807623 -0.2472335 -0.0732697 -1.7647392 39 S -2.0028216 0.1950760 -0.3612090 0.0832909 -2.4460235 -0.0004642 -0.5209369 -0.1793415 -2.7159325 40 S -2.6790043 0.1263200 -0.0130361 0.1494328 -2.5433415 0.2949961 0.2775561 0.3628763 -3.4177385 41 S -2.0028216 -0.1950760 0.3612090 -0.0832909 -2.4460235 -0.0004642 0.5209369 -0.1793415 -2.7159325 42 S -2.6790043 -0.1263200 -0.0130361 -0.1494328 -2.5433415 -0.2949961 0.2775561 -0.3628763 -3.4177385 43 S -4.2337525 0.6056147 -0.3779171 0.2210642 -2.4221988 -0.4467928 -0.1337129 -0.4518729 -2.8457378 44 S -4.2337525 -0.6056147 0.3779171 -0.2210642 -2.4221988 -0.4467928 0.1337129 -0.4518729 -2.8457378 45 S -2.7414977 0.1962198 -0.2303100 0.1731178 -2.5757856 -0.0807623 -0.2472335 -0.0732697 -1.7647392 46 S -2.1874388 -0.1658954 -0.1662996 -0.1305493 -2.8037088 0.2673328 0.0480642 0.1926990 -3.0693954 47 S -4.2337525 -0.6056147 0.3779171 -0.2210642 -2.4221988 -0.4467928 0.1337129 -0.4518729 -2.8457378 48 S -2.0028216 0.1950760 0.3612090 0.0832909 -2.4460235 0.0004642 0.5209369 0.1793415 -2.7159325 49 S -2.1874388 -0.1658954 -0.1662996 -0.1305493 -2.8037088 0.2673328 0.0480642 0.1926990 -3.0693954 50 S -4.2337525 -0.6056147 -0.3779171 -0.2210642 -2.4221988 0.4467928 -0.1337129 0.4518729 -2.8457378 51 S -2.6790043 0.1263200 0.0130361 0.1494328 -2.5433415 -0.2949961 -0.2775561 -0.3628763 -3.4177385 52 S -2.0028216 -0.1950760 -0.3612090 -0.0832909 -2.4460235 0.0004642 -0.5209369 0.1793415 -2.7159325 53 S -2.1874388 -0.1658954 0.1662996 -0.1305493 -2.8037088 -0.2673328 -0.0480642 -0.1926990 -3.0693954 54 S -4.2337525 0.6056147 0.3779171 0.2210642 -2.4221988 0.4467928 0.1337129 0.4518729 -2.8457378 55 S -4.2337525 0.6056147 -0.3779171 0.2210642 -2.4221988 -0.4467928 -0.1337129 -0.4518729 -2.8457378 56 S -2.7414977 -0.1962198 -0.2303100 -0.1731178 -2.5757856 0.0807623 -0.2472335 0.0732697 -1.7647392 57 S -2.7414977 -0.1962198 0.2303100 -0.1731178 -2.5757856 -0.0807623 0.2472335 -0.0732697 -1.7647392 58 S -2.1874388 0.1658954 -0.1662996 0.1305493 -2.8037088 -0.2673328 0.0480642 -0.1926990 -3.0693954 59 S -2.7414977 0.1962198 0.2303100 0.1731178 -2.5757856 0.0807623 0.2472335 0.0732697 -1.7647392 60 S -2.7414977 0.1962198 0.2303100 0.1731178 -2.5757856 0.0807623 0.2472335 0.0732697 -1.7647392 61 S -2.0028216 -0.1950760 -0.3612090 -0.0832909 -2.4460235 0.0004642 -0.5209369 0.1793415 -2.7159325 62 S -2.7414977 -0.1962198 -0.2303100 -0.1731178 -2.5757856 0.0807623 -0.2472335 0.0732697 -1.7647392 63 S -4.2337525 0.6056147 0.3779171 0.2210642 -2.4221988 0.4467928 0.1337129 0.4518729 -2.8457378 64 S -2.1874388 0.1658954 0.1662996 0.1305493 -2.8037088 0.2673328 -0.0480642 0.1926990 -3.0693954 65 S -2.0028216 -0.1950760 0.3612090 -0.0832909 -2.4460235 -0.0004642 0.5209369 -0.1793415 -2.7159325 66 S -2.6790043 -0.1263200 0.0130361 -0.1494328 -2.5433415 0.2949961 -0.2775561 0.3628763 -3.4177385 67 S -2.6790043 0.1263200 -0.0130361 0.1494328 -2.5433415 0.2949961 0.2775561 0.3628763 -3.4177385 68 S -2.1874388 0.1658954 -0.1662996 0.1305493 -2.8037088 -0.2673328 0.0480642 -0.1926990 -3.0693954 69 S -2.6790043 -0.1263200 0.0130361 -0.1494328 -2.5433415 0.2949961 -0.2775561 0.3628763 -3.4177385 70 S -2.1874388 0.1658954 0.1662996 0.1305493 -2.8037088 0.2673328 -0.0480642 0.1926990 -3.0693954 71 S -2.6790043 0.1263200 0.0130361 0.1494328 -2.5433415 -0.2949961 -0.2775561 -0.3628763 -3.4177385 72 S -4.2337525 -0.6056147 -0.3779171 -0.2210642 -2.4221988 0.4467928 -0.1337129 0.4518729 -2.8457378 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.11 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: 1.97e-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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 0.871 ( 0.000 0.000 0.000) 0.000 0.910 ( 0.000 0.000 0.000) 0.000 1.001 ( 0.000 0.000 0.000) 0.000 1.032 ( 0.000 0.000 0.000) 0.000 1.064 ( 0.000 0.000 0.000) 0.000 1.067 ( 0.000 0.000 0.000) 0.000 1.115 ( 0.000 0.000 0.000) 0.000 1.142 ( 0.000 0.000 0.000) 0.000 1.146 ( 0.000 0.000 0.000) 0.000 1.158 ( 0.000 0.000 0.000) 0.000 1.163 ( 0.000 0.000 0.000) 0.000 1.176 ( 0.000 0.000 0.000) 0.000 1.210 ( 0.000 0.000 0.000) 0.000 1.222 ( 0.000 0.000 0.000) 0.000 1.248 ( 0.000 0.000 0.000) 0.000 1.275 ( 0.000 0.000 0.000) 0.000 1.287 ( 0.000 0.000 0.000) 0.000 1.318 ( 0.000 0.000 0.000) 0.000 1.326 ( 0.000 0.000 0.000) 0.000 1.345 ( 0.000 0.000 0.000) 0.000 1.347 ( 0.000 0.000 0.000) 0.000 1.372 ( 0.000 0.000 0.000) 0.000 1.373 ( 0.000 0.000 0.000) 0.000 1.403 ( 0.000 0.000 0.000) 0.000 1.417 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.491 ( 0.000 0.000 0.000) 0.000 1.496 ( 0.000 0.000 0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.580 ( 0.000 0.000 0.000) 0.000 1.601 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.663 ( 0.000 0.000 0.000) 0.000 1.688 ( 0.000 0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.827 ( 0.000 0.000 0.000) 0.000 1.846 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.095 ( 0.000 0.000 0.000) 0.000 2.109 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.240 ( 0.000 0.000 0.000) 0.000 2.251 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 4.138 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.399 ( 0.000 0.000 0.000) 0.000 4.558 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.587 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.857 ( 0.000 0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 4.974 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.125 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.295 ( 0.000 0.000 0.000) 0.000 5.298 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.540 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.758 ( 0.000 0.000 0.000) 0.000 5.903 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 5.963 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.280 ( 0.000 0.000 0.000) 0.000 6.341 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.533 ( 0.000 0.000 0.000) 0.000 6.533 ( 0.000 0.000 0.000) 0.000 6.816 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 7.287 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 8.465 ( 0.000 0.000 0.000) 0.000 8.473 ( 0.000 0.000 0.000) 0.000 8.480 ( 0.000 0.000 0.000) 0.000 8.521 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.543 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.582 ( 0.000 0.000 0.000) 0.000 8.851 ( 0.000 0.000 0.000) 0.000 8.881 ( 0.000 0.000 0.000) 0.000 8.915 ( 0.000 0.000 0.000) 0.000 8.917 ( 0.000 0.000 0.000) 0.000 8.919 ( 0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 8.955 ( 0.000 0.000 0.000) 0.000 9.030 ( 0.000 0.000 0.000) 0.000 9.053 ( 0.000 0.000 0.000) 0.000 9.085 ( 0.000 0.000 0.000) 0.000 9.247 ( 0.000 0.000 0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.273 ( 0.000 0.000 0.000) 0.000 9.319 ( 0.000 0.000 0.000) 0.000 9.612 ( 0.000 0.000 0.000) 0.000 9.616 ( 0.000 0.000 0.000) 0.000 9.628 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 9.731 ( 0.000 0.000 0.000) 0.000 9.741 ( 0.000 0.000 0.000) 0.000 9.766 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 9.836 ( 0.000 0.000 0.000) 0.000 9.855 ( 0.000 0.000 0.000) 0.000 10.009 ( 0.000 0.000 0.000) 0.000 10.061 ( 0.000 0.000 0.000) 0.000 10.078 ( 0.000 0.000 0.000) 0.000 10.122 ( 0.000 0.000 0.000) 0.000 10.189 ( 0.000 0.000 0.000) 0.000 10.246 ( 0.000 0.000 0.000) 0.000 10.265 ( 0.000 0.000 0.000) 0.000 10.305 ( 0.000 0.000 0.000) 0.000 10.373 ( 0.000 0.000 0.000) 0.000 10.389 ( 0.000 0.000 0.000) 0.000 10.426 ( 0.000 0.000 0.000) 0.000 10.446 ( 0.000 0.000 0.000) 0.000 10.491 ( 0.000 0.000 0.000) 0.000 10.514 ( 0.000 0.000 0.000) 0.000 10.514 ( 0.000 0.000 0.000) 0.000 10.575 ( 0.000 0.000 0.000) 0.000 10.638 ( 0.000 0.000 0.000) 0.000 10.638 ( 0.000 0.000 0.000) 0.000 10.652 ( 0.000 0.000 0.000) 0.000 10.667 ( 0.000 0.000 0.000) 0.000 10.720 ( 0.000 0.000 0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 10.746 ( 0.000 0.000 0.000) 0.000 10.870 ( 0.000 0.000 0.000) 0.000 10.896 ( 0.000 0.000 0.000) 0.000 10.908 ( 0.000 0.000 0.000) 0.000 10.918 ( 0.000 0.000 0.000) 0.000 10.939 ( 0.000 0.000 0.000) 0.000 10.957 ( 0.000 0.000 0.000) 0.000 11.227 ( 0.000 0.000 0.000) 0.000 11.227 ( 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: 1.97e-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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( 18.720 0.000 0.000) 18.720 0.380 ( 18.924 0.000 0.000) 18.924 0.592 ( 28.162 0.000 0.000) 28.162 0.880 ( 1.027 0.000 0.000) 1.027 0.907 ( -1.960 0.000 0.000) 1.960 0.999 ( 3.612 0.000 0.000) 3.612 1.013 ( 1.207 0.000 0.000) 1.207 1.049 ( -3.478 0.000 0.000) 3.478 1.118 ( 2.678 0.000 0.000) 2.678 1.121 ( 0.455 0.000 0.000) 0.455 1.147 ( 0.454 0.000 0.000) 0.454 1.160 ( 0.301 0.000 0.000) 0.301 1.167 ( -1.351 0.000 0.000) 1.351 1.172 ( 0.859 0.000 0.000) 0.859 1.182 ( 0.627 0.000 0.000) 0.627 1.207 ( -1.813 0.000 0.000) 1.813 1.246 ( -0.247 0.000 0.000) 0.247 1.270 ( 1.030 0.000 0.000) 1.030 1.270 ( 1.305 0.000 0.000) 1.305 1.294 ( -2.701 0.000 0.000) 2.701 1.313 ( 0.319 0.000 0.000) 0.319 1.329 ( 5.830 0.000 0.000) 5.830 1.339 ( -1.218 0.000 0.000) 1.218 1.355 ( 0.388 0.000 0.000) 0.388 1.367 ( -0.409 0.000 0.000) 0.409 1.413 ( 0.402 0.000 0.000) 0.402 1.417 ( 1.721 0.000 0.000) 1.721 1.438 ( 4.824 0.000 0.000) 4.824 1.484 ( -2.586 0.000 0.000) 2.586 1.507 ( 1.205 0.000 0.000) 1.205 1.518 ( 1.277 0.000 0.000) 1.277 1.539 ( 3.335 0.000 0.000) 3.335 1.573 ( -2.175 0.000 0.000) 2.175 1.630 ( 3.116 0.000 0.000) 3.116 1.642 ( 5.916 0.000 0.000) 5.916 1.643 ( 3.427 0.000 0.000) 3.427 1.684 ( -2.452 0.000 0.000) 2.452 1.686 ( 1.505 0.000 0.000) 1.505 1.702 ( 3.892 0.000 0.000) 3.892 1.741 ( 4.616 0.000 0.000) 4.616 1.853 ( -0.514 0.000 0.000) 0.514 1.898 ( -2.987 0.000 0.000) 2.987 1.901 ( -6.204 0.000 0.000) 6.204 1.941 ( 0.791 0.000 0.000) 0.791 1.942 ( 4.370 0.000 0.000) 4.370 1.972 ( 1.838 0.000 0.000) 1.838 2.049 ( -2.523 0.000 0.000) 2.523 2.082 ( -1.099 0.000 0.000) 1.099 2.128 ( 1.368 0.000 0.000) 1.368 2.164 ( 3.091 0.000 0.000) 3.091 2.197 ( -4.911 0.000 0.000) 4.911 2.219 ( -4.227 0.000 0.000) 4.227 2.270 ( 1.840 0.000 0.000) 1.840 2.292 ( -3.834 0.000 0.000) 3.834 2.313 ( -4.805 0.000 0.000) 4.805 2.344 ( 0.836 0.000 0.000) 0.836 2.396 ( -5.409 0.000 0.000) 5.409 2.428 ( 6.118 0.000 0.000) 6.118 2.501 ( 2.198 0.000 0.000) 2.198 2.551 ( -3.190 0.000 0.000) 3.190 2.552 ( -3.428 0.000 0.000) 3.428 2.700 ( -2.390 0.000 0.000) 2.390 2.701 ( -2.018 0.000 0.000) 2.018 2.770 ( -0.101 0.000 0.000) 0.101 2.790 ( -3.474 0.000 0.000) 3.474 2.887 ( 0.076 0.000 0.000) 0.076 2.979 ( 2.735 0.000 0.000) 2.735 3.000 ( 0.128 0.000 0.000) 0.128 3.013 ( 2.208 0.000 0.000) 2.208 3.058 ( -1.142 0.000 0.000) 1.142 3.072 ( 7.887 0.000 0.000) 7.887 3.075 ( 4.437 0.000 0.000) 4.437 3.113 ( 3.598 0.000 0.000) 3.598 3.145 ( -1.320 0.000 0.000) 1.320 3.247 ( -3.435 0.000 0.000) 3.435 3.253 ( 0.857 0.000 0.000) 0.857 3.276 ( 1.929 0.000 0.000) 1.929 3.356 ( -0.662 0.000 0.000) 0.662 3.369 ( -0.746 0.000 0.000) 0.746 3.383 ( 1.829 0.000 0.000) 1.829 3.412 ( -3.757 0.000 0.000) 3.757 3.425 ( 0.409 0.000 0.000) 0.409 3.482 ( 1.034 0.000 0.000) 1.034 3.493 ( 4.693 0.000 0.000) 4.693 3.504 ( -1.231 0.000 0.000) 1.231 3.545 ( 0.670 0.000 0.000) 0.670 3.572 ( -4.584 0.000 0.000) 4.584 3.633 ( 4.353 0.000 0.000) 4.353 3.716 ( 0.577 0.000 0.000) 0.577 3.785 ( -5.938 0.000 0.000) 5.938 3.788 ( -0.712 0.000 0.000) 0.712 3.800 ( 3.576 0.000 0.000) 3.576 3.873 ( -4.064 0.000 0.000) 4.064 3.896 ( 5.745 0.000 0.000) 5.745 3.902 ( 1.792 0.000 0.000) 1.792 3.965 ( -2.130 0.000 0.000) 2.130 4.027 ( -1.104 0.000 0.000) 1.104 4.028 ( -7.356 0.000 0.000) 7.356 4.110 ( -0.107 0.000 0.000) 0.107 4.153 ( -2.062 0.000 0.000) 2.062 4.196 ( 1.036 0.000 0.000) 1.036 4.207 ( -4.333 0.000 0.000) 4.333 4.263 ( 6.914 0.000 0.000) 6.914 4.268 ( -0.189 0.000 0.000) 0.189 4.292 ( -0.522 0.000 0.000) 0.522 4.371 ( 1.786 0.000 0.000) 1.786 4.397 ( -0.082 0.000 0.000) 0.082 4.419 ( 2.003 0.000 0.000) 2.003 4.531 ( -5.311 0.000 0.000) 5.311 4.560 ( -0.550 0.000 0.000) 0.550 4.586 ( -0.850 0.000 0.000) 0.850 4.592 ( -0.127 0.000 0.000) 0.127 4.617 ( -0.617 0.000 0.000) 0.617 4.728 ( -2.605 0.000 0.000) 2.605 4.820 ( 0.615 0.000 0.000) 0.615 4.846 ( 6.134 0.000 0.000) 6.134 4.852 ( -0.581 0.000 0.000) 0.581 4.853 ( 2.254 0.000 0.000) 2.254 4.954 ( -2.243 0.000 0.000) 2.243 5.106 ( 2.790 0.000 0.000) 2.790 5.140 ( -1.793 0.000 0.000) 1.793 5.211 ( -0.344 0.000 0.000) 0.344 5.242 ( 1.089 0.000 0.000) 1.089 5.251 ( -3.469 0.000 0.000) 3.469 5.319 ( -2.748 0.000 0.000) 2.748 5.344 ( 0.180 0.000 0.000) 0.180 5.509 ( 12.378 0.000 0.000) 12.378 5.561 ( -4.214 0.000 0.000) 4.214 5.605 ( -7.161 0.000 0.000) 7.161 5.712 ( 21.654 0.000 0.000) 21.654 5.766 ( 8.953 0.000 0.000) 8.953 5.802 ( 0.622 0.000 0.000) 0.622 5.809 ( -4.515 0.000 0.000) 4.515 5.901 ( -0.340 0.000 0.000) 0.340 5.912 ( 0.824 0.000 0.000) 0.824 5.987 ( 4.225 0.000 0.000) 4.225 6.002 ( -0.986 0.000 0.000) 0.986 6.163 ( 9.926 0.000 0.000) 9.926 6.265 ( 6.320 0.000 0.000) 6.320 6.417 ( 8.026 0.000 0.000) 8.026 6.435 ( 9.283 0.000 0.000) 9.283 6.496 ( -1.986 0.000 0.000) 1.986 6.504 ( 0.313 0.000 0.000) 0.313 6.536 ( -0.690 0.000 0.000) 0.690 6.562 ( 4.465 0.000 0.000) 4.465 6.792 ( -0.194 0.000 0.000) 0.194 6.796 ( 6.528 0.000 0.000) 6.528 6.824 ( -0.350 0.000 0.000) 0.350 7.196 ( -8.939 0.000 0.000) 8.939 7.256 ( -7.736 0.000 0.000) 7.736 7.363 ( -4.697 0.000 0.000) 4.697 7.384 ( -4.767 0.000 0.000) 4.767 8.472 ( -0.026 0.000 0.000) 0.026 8.473 ( 0.741 0.000 0.000) 0.741 8.477 ( -0.223 0.000 0.000) 0.223 8.514 ( -0.625 0.000 0.000) 0.625 8.519 ( -1.853 0.000 0.000) 1.853 8.555 ( -1.099 0.000 0.000) 1.099 8.587 ( 0.465 0.000 0.000) 0.465 8.587 ( 0.819 0.000 0.000) 0.819 8.855 ( 0.619 0.000 0.000) 0.619 8.881 ( -0.941 0.000 0.000) 0.941 8.906 ( -0.975 0.000 0.000) 0.975 8.914 ( -0.587 0.000 0.000) 0.587 8.941 ( 1.697 0.000 0.000) 1.697 8.943 ( 1.087 0.000 0.000) 1.087 8.965 ( 0.794 0.000 0.000) 0.794 9.024 ( -0.794 0.000 0.000) 0.794 9.071 ( 1.956 0.000 0.000) 1.956 9.102 ( 1.742 0.000 0.000) 1.742 9.241 ( -2.191 0.000 0.000) 2.191 9.248 ( -1.347 0.000 0.000) 1.347 9.329 ( 2.732 0.000 0.000) 2.732 9.555 ( 4.457 0.000 0.000) 4.457 9.592 ( -2.620 0.000 0.000) 2.620 9.638 ( 0.995 0.000 0.000) 0.995 9.656 ( 4.206 0.000 0.000) 4.206 9.714 ( -1.509 0.000 0.000) 1.509 9.747 ( 0.935 0.000 0.000) 0.935 9.767 ( -0.476 0.000 0.000) 0.476 9.815 ( -0.643 0.000 0.000) 0.643 9.837 ( 0.042 0.000 0.000) 0.042 9.852 ( 0.511 0.000 0.000) 0.511 9.930 ( -7.276 0.000 0.000) 7.276 10.020 ( 1.704 0.000 0.000) 1.704 10.034 ( -2.817 0.000 0.000) 2.817 10.053 ( -0.028 0.000 0.000) 0.028 10.108 ( -7.073 0.000 0.000) 7.073 10.183 ( 2.767 0.000 0.000) 2.767 10.269 ( -1.308 0.000 0.000) 1.308 10.291 ( 1.277 0.000 0.000) 1.277 10.351 ( 4.847 0.000 0.000) 4.847 10.355 ( -1.680 0.000 0.000) 1.680 10.386 ( 0.639 0.000 0.000) 0.639 10.417 ( -0.047 0.000 0.000) 0.047 10.480 ( 2.619 0.000 0.000) 2.619 10.521 ( 0.558 0.000 0.000) 0.558 10.532 ( 2.675 0.000 0.000) 2.675 10.566 ( 0.053 0.000 0.000) 0.053 10.580 ( 0.773 0.000 0.000) 0.773 10.631 ( -1.966 0.000 0.000) 1.966 10.637 ( -0.071 0.000 0.000) 0.071 10.661 ( -0.405 0.000 0.000) 0.405 10.707 ( -2.275 0.000 0.000) 2.275 10.713 ( -0.731 0.000 0.000) 0.731 10.731 ( -0.211 0.000 0.000) 0.211 10.772 ( 2.233 0.000 0.000) 2.233 10.869 ( -0.359 0.000 0.000) 0.359 10.875 ( -1.366 0.000 0.000) 1.366 10.877 ( 0.756 0.000 0.000) 0.756 10.893 ( -0.356 0.000 0.000) 0.356 10.946 ( 2.903 0.000 0.000) 2.903 10.947 ( -1.103 0.000 0.000) 1.103 10.995 ( 4.119 0.000 0.000) 4.119 11.194 ( -3.784 0.000 0.000) 3.784 11.207 ( -2.228 0.000 0.000) 2.228 ======================= Grid point 2 (3/27) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 12.035 0.000 0.000) 12.035 0.667 ( 15.954 0.000 0.000) 15.954 0.820 ( -4.998 0.000 0.000) 4.998 0.886 ( 3.430 0.000 0.000) 3.430 0.902 ( 0.967 0.000 0.000) 0.967 0.915 ( -10.948 0.000 0.000) 10.948 1.042 ( 2.021 0.000 0.000) 2.021 1.096 ( -3.765 0.000 0.000) 3.765 1.129 ( 0.505 0.000 0.000) 0.505 1.141 ( -0.812 0.000 0.000) 0.812 1.161 ( 2.873 0.000 0.000) 2.873 1.171 ( 0.740 0.000 0.000) 0.740 1.188 ( 0.747 0.000 0.000) 0.747 1.193 ( 0.303 0.000 0.000) 0.303 1.209 ( 1.586 0.000 0.000) 1.586 1.218 ( 3.387 0.000 0.000) 3.387 1.246 ( -2.388 0.000 0.000) 2.388 1.251 ( -2.293 0.000 0.000) 2.293 1.293 ( 0.993 0.000 0.000) 0.993 1.295 ( 15.893 0.000 0.000) 15.893 1.313 ( -1.370 0.000 0.000) 1.370 1.356 ( 0.064 0.000 0.000) 0.064 1.359 ( -0.343 0.000 0.000) 0.343 1.362 ( 3.635 0.000 0.000) 3.635 1.409 ( 1.687 0.000 0.000) 1.687 1.424 ( 0.629 0.000 0.000) 0.629 1.444 ( -1.675 0.000 0.000) 1.675 1.466 ( 3.388 0.000 0.000) 3.388 1.507 ( -0.538 0.000 0.000) 0.538 1.510 ( -1.269 0.000 0.000) 1.269 1.525 ( -3.059 0.000 0.000) 3.059 1.555 ( 7.829 0.000 0.000) 7.829 1.599 ( -8.604 0.000 0.000) 8.604 1.625 ( 4.916 0.000 0.000) 4.916 1.675 ( -3.852 0.000 0.000) 3.852 1.722 ( -1.942 0.000 0.000) 1.942 1.737 ( 7.457 0.000 0.000) 7.457 1.754 ( 5.364 0.000 0.000) 5.364 1.771 ( -0.789 0.000 0.000) 0.789 1.806 ( 1.813 0.000 0.000) 1.813 1.822 ( 8.904 0.000 0.000) 8.904 1.829 ( -3.571 0.000 0.000) 3.571 1.833 ( -1.368 0.000 0.000) 1.368 1.985 ( -4.737 0.000 0.000) 4.737 1.988 ( 3.961 0.000 0.000) 3.961 1.998 ( 2.257 0.000 0.000) 2.257 2.046 ( 3.059 0.000 0.000) 3.059 2.050 ( -9.397 0.000 0.000) 9.397 2.060 ( -1.353 0.000 0.000) 1.353 2.079 ( -8.736 0.000 0.000) 8.736 2.149 ( 1.278 0.000 0.000) 1.278 2.193 ( -4.584 0.000 0.000) 4.584 2.232 ( 3.503 0.000 0.000) 3.503 2.259 ( -1.457 0.000 0.000) 1.457 2.278 ( -1.838 0.000 0.000) 1.838 2.298 ( -4.172 0.000 0.000) 4.172 2.373 ( 2.236 0.000 0.000) 2.236 2.432 ( -4.003 0.000 0.000) 4.003 2.528 ( 1.308 0.000 0.000) 1.308 2.534 ( 1.387 0.000 0.000) 1.387 2.613 ( 6.052 0.000 0.000) 6.052 2.665 ( -1.202 0.000 0.000) 1.202 2.666 ( -1.393 0.000 0.000) 1.393 2.703 ( -5.099 0.000 0.000) 5.099 2.786 ( 3.048 0.000 0.000) 3.048 2.865 ( -3.262 0.000 0.000) 3.262 3.018 ( 1.668 0.000 0.000) 1.668 3.026 ( -0.537 0.000 0.000) 0.537 3.028 ( 1.425 0.000 0.000) 1.425 3.029 ( -1.353 0.000 0.000) 1.353 3.132 ( 2.294 0.000 0.000) 2.294 3.152 ( 1.080 0.000 0.000) 1.080 3.157 ( 2.252 0.000 0.000) 2.252 3.198 ( -2.101 0.000 0.000) 2.101 3.212 ( 5.609 0.000 0.000) 5.609 3.279 ( -0.979 0.000 0.000) 0.979 3.315 ( 2.091 0.000 0.000) 2.091 3.327 ( -1.211 0.000 0.000) 1.211 3.342 ( -1.450 0.000 0.000) 1.450 3.355 ( -2.607 0.000 0.000) 2.607 3.427 ( 2.931 0.000 0.000) 2.931 3.466 ( 4.208 0.000 0.000) 4.208 3.490 ( -4.090 0.000 0.000) 4.090 3.499 ( 1.736 0.000 0.000) 1.736 3.525 ( 1.473 0.000 0.000) 1.473 3.535 ( -2.302 0.000 0.000) 2.302 3.582 ( 4.012 0.000 0.000) 4.012 3.636 ( -2.490 0.000 0.000) 2.490 3.697 ( -1.578 0.000 0.000) 1.578 3.713 ( -1.260 0.000 0.000) 1.260 3.780 ( -0.104 0.000 0.000) 0.104 3.797 ( -3.258 0.000 0.000) 3.258 3.901 ( -2.967 0.000 0.000) 2.967 3.910 ( -4.532 0.000 0.000) 4.532 3.914 ( 6.490 0.000 0.000) 6.490 3.944 ( 1.453 0.000 0.000) 1.453 3.987 ( 3.570 0.000 0.000) 3.570 4.038 ( 3.459 0.000 0.000) 3.459 4.097 ( -6.132 0.000 0.000) 6.132 4.106 ( -4.192 0.000 0.000) 4.192 4.147 ( 3.544 0.000 0.000) 3.544 4.220 ( -4.002 0.000 0.000) 4.002 4.225 ( 2.307 0.000 0.000) 2.307 4.271 ( -2.098 0.000 0.000) 2.098 4.376 ( 4.508 0.000 0.000) 4.508 4.401 ( 0.700 0.000 0.000) 0.700 4.407 ( 0.960 0.000 0.000) 0.960 4.438 ( -3.907 0.000 0.000) 3.907 4.461 ( 2.497 0.000 0.000) 2.497 4.515 ( -3.319 0.000 0.000) 3.319 4.591 ( 0.128 0.000 0.000) 0.128 4.601 ( -0.895 0.000 0.000) 0.895 4.608 ( 2.471 0.000 0.000) 2.471 4.666 ( -3.744 0.000 0.000) 3.744 4.842 ( -0.264 0.000 0.000) 0.264 4.843 ( -0.316 0.000 0.000) 0.316 4.848 ( 2.473 0.000 0.000) 2.473 4.902 ( -3.173 0.000 0.000) 3.173 4.996 ( 6.737 0.000 0.000) 6.737 5.090 ( -3.824 0.000 0.000) 3.824 5.167 ( 3.405 0.000 0.000) 3.405 5.202 ( -0.705 0.000 0.000) 0.705 5.220 ( -0.087 0.000 0.000) 0.087 5.258 ( -3.571 0.000 0.000) 3.571 5.315 ( 6.069 0.000 0.000) 6.069 5.382 ( 4.150 0.000 0.000) 4.150 5.440 ( -7.457 0.000 0.000) 7.457 5.487 ( -6.668 0.000 0.000) 6.668 5.689 ( 5.837 0.000 0.000) 5.837 5.739 ( -1.978 0.000 0.000) 1.978 5.799 ( -0.333 0.000 0.000) 0.333 5.813 ( -0.707 0.000 0.000) 0.707 5.913 ( 2.164 0.000 0.000) 2.164 5.924 ( 0.297 0.000 0.000) 0.297 5.944 ( 1.958 0.000 0.000) 1.958 5.970 ( -1.545 0.000 0.000) 1.545 6.250 ( 18.373 0.000 0.000) 18.373 6.416 ( 8.410 0.000 0.000) 8.410 6.444 ( 15.219 0.000 0.000) 15.219 6.448 ( -4.622 0.000 0.000) 4.622 6.500 ( -0.339 0.000 0.000) 0.339 6.508 ( -1.623 0.000 0.000) 1.623 6.529 ( -2.075 0.000 0.000) 2.075 6.533 ( 3.590 0.000 0.000) 3.590 6.711 ( 12.465 0.000 0.000) 12.465 6.835 ( 4.203 0.000 0.000) 4.203 6.929 ( 16.031 0.000 0.000) 16.031 6.970 ( 12.151 0.000 0.000) 12.151 6.981 ( -14.622 0.000 0.000) 14.622 7.044 ( -14.885 0.000 0.000) 14.885 7.204 ( -12.222 0.000 0.000) 12.222 7.223 ( -13.408 0.000 0.000) 13.408 8.474 ( 0.370 0.000 0.000) 0.370 8.477 ( 0.236 0.000 0.000) 0.236 8.483 ( -0.067 0.000 0.000) 0.067 8.489 ( -1.267 0.000 0.000) 1.267 8.508 ( 0.541 0.000 0.000) 0.541 8.530 ( -1.486 0.000 0.000) 1.486 8.595 ( 0.309 0.000 0.000) 0.309 8.596 ( 0.188 0.000 0.000) 0.188 8.874 ( 1.309 0.000 0.000) 1.309 8.874 ( 0.242 0.000 0.000) 0.242 8.887 ( -1.026 0.000 0.000) 1.026 8.898 ( -1.194 0.000 0.000) 1.194 8.966 ( 0.965 0.000 0.000) 0.965 8.969 ( 1.681 0.000 0.000) 1.681 8.974 ( 0.093 0.000 0.000) 0.093 9.001 ( -1.688 0.000 0.000) 1.688 9.123 ( 3.569 0.000 0.000) 3.569 9.144 ( 2.818 0.000 0.000) 2.818 9.189 ( -3.455 0.000 0.000) 3.455 9.200 ( -3.177 0.000 0.000) 3.177 9.417 ( 5.970 0.000 0.000) 5.970 9.521 ( -5.132 0.000 0.000) 5.132 9.646 ( 3.581 0.000 0.000) 3.581 9.669 ( 4.114 0.000 0.000) 4.114 9.682 ( -1.810 0.000 0.000) 1.810 9.717 ( 1.752 0.000 0.000) 1.752 9.744 ( -1.561 0.000 0.000) 1.561 9.788 ( -7.353 0.000 0.000) 7.353 9.810 ( 6.524 0.000 0.000) 6.524 9.818 ( 0.885 0.000 0.000) 0.885 9.836 ( -0.902 0.000 0.000) 0.902 9.887 ( 2.430 0.000 0.000) 2.430 9.966 ( -7.551 0.000 0.000) 7.551 9.969 ( -3.947 0.000 0.000) 3.947 10.048 ( 1.049 0.000 0.000) 1.049 10.056 ( 0.014 0.000 0.000) 0.014 10.216 ( 1.367 0.000 0.000) 1.367 10.242 ( -1.536 0.000 0.000) 1.536 10.308 ( 0.892 0.000 0.000) 0.892 10.327 ( -1.283 0.000 0.000) 1.283 10.405 ( 1.011 0.000 0.000) 1.011 10.417 ( -0.250 0.000 0.000) 0.250 10.452 ( 5.337 0.000 0.000) 5.337 10.518 ( -1.578 0.000 0.000) 1.578 10.524 ( 2.049 0.000 0.000) 2.049 10.548 ( -0.546 0.000 0.000) 0.546 10.573 ( 0.834 0.000 0.000) 0.834 10.596 ( -1.677 0.000 0.000) 1.677 10.613 ( 2.074 0.000 0.000) 2.074 10.634 ( -0.380 0.000 0.000) 0.380 10.653 ( -0.265 0.000 0.000) 0.265 10.664 ( -1.798 0.000 0.000) 1.798 10.702 ( -0.099 0.000 0.000) 0.099 10.716 ( -1.278 0.000 0.000) 1.278 10.815 ( 2.368 0.000 0.000) 2.368 10.852 ( -1.544 0.000 0.000) 1.544 10.870 ( 0.540 0.000 0.000) 0.540 10.883 ( -0.720 0.000 0.000) 0.720 10.896 ( 1.255 0.000 0.000) 1.255 10.921 ( -1.523 0.000 0.000) 1.523 11.016 ( 4.640 0.000 0.000) 4.640 11.074 ( 4.451 0.000 0.000) 4.451 11.108 ( -5.262 0.000 0.000) 5.262 11.150 ( -3.819 0.000 0.000) 3.819 ======================= Grid point 5 (4/27) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 0.000 16.793 0.000) 16.793 0.377 ( 0.000 17.509 0.000) 17.509 0.638 ( 0.000 29.051 0.000) 29.051 0.807 ( 0.000 -5.336 0.000) 5.336 0.896 ( 0.000 -3.755 0.000) 3.755 0.997 ( 0.000 -0.244 0.000) 0.244 1.016 ( 0.000 1.278 0.000) 1.278 1.039 ( 0.000 -1.988 0.000) 1.988 1.041 ( 0.000 -2.447 0.000) 2.447 1.132 ( 0.000 0.699 0.000) 0.699 1.151 ( 0.000 0.360 0.000) 0.360 1.152 ( 0.000 -0.459 0.000) 0.459 1.155 ( 0.000 -0.381 0.000) 0.381 1.174 ( 0.000 0.669 0.000) 0.669 1.198 ( 0.000 4.053 0.000) 4.053 1.225 ( 0.000 0.227 0.000) 0.227 1.226 ( 0.000 1.400 0.000) 1.400 1.236 ( 0.000 -4.056 0.000) 4.056 1.262 ( 0.000 1.181 0.000) 1.181 1.278 ( 0.000 -2.846 0.000) 2.846 1.285 ( 0.000 0.762 0.000) 0.762 1.332 ( 0.000 -1.409 0.000) 1.409 1.338 ( 0.000 0.507 0.000) 0.507 1.357 ( 0.000 0.273 0.000) 0.273 1.364 ( 0.000 -0.401 0.000) 0.401 1.365 ( 0.000 0.005 0.000) 0.005 1.404 ( 0.000 0.393 0.000) 0.393 1.409 ( 0.000 -0.743 0.000) 0.743 1.446 ( 0.000 -0.735 0.000) 0.735 1.473 ( 0.000 -2.818 0.000) 2.818 1.488 ( 0.000 -0.178 0.000) 0.178 1.501 ( 0.000 -1.909 0.000) 1.909 1.521 ( 0.000 -4.980 0.000) 4.980 1.525 ( 0.000 -2.711 0.000) 2.711 1.562 ( 0.000 -2.732 0.000) 2.732 1.611 ( 0.000 0.774 0.000) 0.774 1.661 ( 0.000 3.075 0.000) 3.075 1.707 ( 0.000 -2.926 0.000) 2.926 1.745 ( 0.000 1.624 0.000) 1.624 1.768 ( 0.000 4.638 0.000) 4.638 1.814 ( 0.000 -0.868 0.000) 0.868 1.841 ( 0.000 -5.246 0.000) 5.246 1.864 ( 0.000 0.973 0.000) 0.973 1.893 ( 0.000 -5.809 0.000) 5.809 1.928 ( 0.000 -2.076 0.000) 2.076 1.966 ( 0.000 -0.701 0.000) 0.701 1.996 ( 0.000 4.492 0.000) 4.492 2.076 ( 0.000 0.426 0.000) 0.426 2.086 ( 0.000 1.563 0.000) 1.563 2.195 ( 0.000 -3.491 0.000) 3.491 2.237 ( 0.000 -0.650 0.000) 0.650 2.255 ( 0.000 0.435 0.000) 0.435 2.278 ( 0.000 -3.951 0.000) 3.951 2.325 ( 0.000 -3.252 0.000) 3.252 2.352 ( 0.000 1.103 0.000) 1.103 2.378 ( 0.000 -0.312 0.000) 0.312 2.390 ( 0.000 1.495 0.000) 1.495 2.445 ( 0.000 -1.091 0.000) 1.091 2.455 ( 0.000 -0.255 0.000) 0.255 2.498 ( 0.000 -3.568 0.000) 3.568 2.673 ( 0.000 3.160 0.000) 3.160 2.721 ( 0.000 0.458 0.000) 0.458 2.736 ( 0.000 -0.961 0.000) 0.961 2.835 ( 0.000 -3.435 0.000) 3.435 2.882 ( 0.000 4.260 0.000) 4.260 2.897 ( 0.000 2.607 0.000) 2.607 2.912 ( 0.000 -2.515 0.000) 2.515 2.947 ( 0.000 -0.279 0.000) 0.279 2.997 ( 0.000 1.490 0.000) 1.490 3.066 ( 0.000 -0.620 0.000) 0.620 3.076 ( 0.000 5.106 0.000) 5.106 3.142 ( 0.000 -4.670 0.000) 4.670 3.159 ( 0.000 6.419 0.000) 6.419 3.168 ( 0.000 -1.144 0.000) 1.144 3.205 ( 0.000 -1.533 0.000) 1.533 3.285 ( 0.000 1.650 0.000) 1.650 3.308 ( 0.000 1.722 0.000) 1.722 3.375 ( 0.000 -1.819 0.000) 1.819 3.396 ( 0.000 -4.261 0.000) 4.261 3.397 ( 0.000 3.213 0.000) 3.213 3.432 ( 0.000 1.815 0.000) 1.815 3.441 ( 0.000 -3.713 0.000) 3.713 3.473 ( 0.000 1.133 0.000) 1.133 3.523 ( 0.000 0.474 0.000) 0.474 3.534 ( 0.000 3.071 0.000) 3.071 3.601 ( 0.000 5.642 0.000) 5.642 3.608 ( 0.000 -3.633 0.000) 3.633 3.671 ( 0.000 -0.542 0.000) 0.542 3.687 ( 0.000 -0.252 0.000) 0.252 3.753 ( 0.000 -0.806 0.000) 0.806 3.768 ( 0.000 -1.940 0.000) 1.940 3.827 ( 0.000 -3.412 0.000) 3.412 3.876 ( 0.000 4.076 0.000) 4.076 3.892 ( 0.000 -2.798 0.000) 2.798 3.930 ( 0.000 6.914 0.000) 6.914 3.997 ( 0.000 -5.237 0.000) 5.237 4.046 ( 0.000 -0.782 0.000) 0.782 4.106 ( 0.000 6.048 0.000) 6.048 4.125 ( 0.000 -0.751 0.000) 0.751 4.153 ( 0.000 2.371 0.000) 2.371 4.162 ( 0.000 0.045 0.000) 0.045 4.213 ( 0.000 -2.147 0.000) 2.147 4.290 ( 0.000 0.625 0.000) 0.625 4.318 ( 0.000 5.268 0.000) 5.268 4.325 ( 0.000 4.926 0.000) 4.926 4.355 ( 0.000 -3.232 0.000) 3.232 4.396 ( 0.000 -0.511 0.000) 0.511 4.530 ( 0.000 -3.893 0.000) 3.893 4.538 ( 0.000 -3.628 0.000) 3.628 4.540 ( 0.000 -1.855 0.000) 1.855 4.581 ( 0.000 -0.372 0.000) 0.372 4.662 ( 0.000 -3.967 0.000) 3.967 4.692 ( 0.000 4.233 0.000) 4.233 4.765 ( 0.000 2.109 0.000) 2.109 4.803 ( 0.000 3.511 0.000) 3.511 4.842 ( 0.000 -1.836 0.000) 1.836 4.852 ( 0.000 -0.545 0.000) 0.545 4.882 ( 0.000 -0.123 0.000) 0.123 4.987 ( 0.000 1.435 0.000) 1.435 5.054 ( 0.000 -1.687 0.000) 1.687 5.081 ( 0.000 -3.370 0.000) 3.370 5.086 ( 0.000 -4.891 0.000) 4.891 5.153 ( 0.000 -3.221 0.000) 3.221 5.232 ( 0.000 -4.824 0.000) 4.824 5.329 ( 0.000 1.064 0.000) 1.064 5.341 ( 0.000 2.066 0.000) 2.066 5.356 ( 0.000 0.308 0.000) 0.308 5.462 ( 0.000 -4.494 0.000) 4.494 5.484 ( 0.000 4.805 0.000) 4.805 5.594 ( 0.000 -1.770 0.000) 1.770 5.639 ( 0.000 2.207 0.000) 2.207 5.748 ( 0.000 -2.370 0.000) 2.370 5.773 ( 0.000 4.617 0.000) 4.617 5.885 ( 0.000 -2.345 0.000) 2.345 5.916 ( 0.000 0.824 0.000) 0.824 5.927 ( 0.000 -0.008 0.000) 0.008 5.987 ( 0.000 3.315 0.000) 3.315 6.071 ( 0.000 4.061 0.000) 4.061 6.112 ( 0.000 2.800 0.000) 2.800 6.271 ( 0.000 -0.881 0.000) 0.881 6.293 ( 0.000 -4.205 0.000) 4.205 6.304 ( 0.000 -4.587 0.000) 4.587 6.517 ( 0.000 1.365 0.000) 1.365 6.531 ( 0.000 0.620 0.000) 0.620 6.541 ( 0.000 0.489 0.000) 0.489 6.548 ( 0.000 0.656 0.000) 0.656 6.827 ( 0.000 0.706 0.000) 0.706 6.827 ( 0.000 0.809 0.000) 0.809 7.299 ( 0.000 1.137 0.000) 1.137 7.341 ( 0.000 1.304 0.000) 1.304 7.373 ( 0.000 -1.767 0.000) 1.767 7.408 ( 0.000 -1.291 0.000) 1.291 8.454 ( 0.000 -0.501 0.000) 0.501 8.460 ( 0.000 -0.248 0.000) 0.248 8.478 ( 0.000 -0.313 0.000) 0.313 8.496 ( 0.000 -1.958 0.000) 1.958 8.556 ( 0.000 0.865 0.000) 0.865 8.574 ( 0.000 -0.035 0.000) 0.035 8.586 ( 0.000 4.439 0.000) 4.439 8.766 ( 0.000 -3.169 0.000) 3.169 8.882 ( 0.000 2.486 0.000) 2.486 8.898 ( 0.000 1.253 0.000) 1.253 8.914 ( 0.000 -0.059 0.000) 0.059 8.926 ( 0.000 0.872 0.000) 0.872 8.927 ( 0.000 1.050 0.000) 1.050 8.933 ( 0.000 -0.057 0.000) 0.057 8.962 ( 0.000 0.304 0.000) 0.304 9.023 ( 0.000 -2.021 0.000) 2.021 9.052 ( 0.000 0.040 0.000) 0.040 9.079 ( 0.000 -0.649 0.000) 0.649 9.268 ( 0.000 0.480 0.000) 0.480 9.276 ( 0.000 0.219 0.000) 0.219 9.303 ( 0.000 -0.277 0.000) 0.277 9.313 ( 0.000 -0.558 0.000) 0.558 9.616 ( 0.000 0.196 0.000) 0.196 9.628 ( 0.000 1.137 0.000) 1.137 9.674 ( 0.000 2.341 0.000) 2.341 9.690 ( 0.000 -2.687 0.000) 2.687 9.700 ( 0.000 -1.961 0.000) 1.961 9.747 ( 0.000 -0.521 0.000) 0.521 9.793 ( 0.000 1.568 0.000) 1.568 9.832 ( 0.000 -0.397 0.000) 0.397 9.855 ( 0.000 2.686 0.000) 2.686 9.881 ( 0.000 2.510 0.000) 2.510 9.993 ( 0.000 -1.665 0.000) 1.665 10.015 ( 0.000 -3.943 0.000) 3.943 10.077 ( 0.000 0.202 0.000) 0.202 10.112 ( 0.000 -0.790 0.000) 0.790 10.208 ( 0.000 1.526 0.000) 1.526 10.278 ( 0.000 -1.879 0.000) 1.879 10.278 ( 0.000 2.916 0.000) 2.916 10.286 ( 0.000 1.949 0.000) 1.949 10.380 ( 0.000 -1.120 0.000) 1.120 10.411 ( 0.000 -1.642 0.000) 1.642 10.463 ( 0.000 -0.455 0.000) 0.455 10.480 ( 0.000 -1.856 0.000) 1.856 10.487 ( 0.000 3.259 0.000) 3.259 10.508 ( 0.000 -0.833 0.000) 0.833 10.518 ( 0.000 -2.816 0.000) 2.816 10.594 ( 0.000 -1.844 0.000) 1.844 10.602 ( 0.000 5.717 0.000) 5.717 10.628 ( 0.000 -2.734 0.000) 2.734 10.654 ( 0.000 -3.981 0.000) 3.981 10.705 ( 0.000 2.460 0.000) 2.460 10.719 ( 0.000 5.045 0.000) 5.045 10.760 ( 0.000 1.359 0.000) 1.359 10.782 ( 0.000 -0.041 0.000) 0.041 10.851 ( 0.000 -2.198 0.000) 2.198 10.877 ( 0.000 1.051 0.000) 1.051 10.908 ( 0.000 -0.008 0.000) 0.008 10.925 ( 0.000 0.452 0.000) 0.452 10.937 ( 0.000 -0.172 0.000) 0.172 10.960 ( 0.000 0.715 0.000) 0.715 11.132 ( 0.000 -5.401 0.000) 5.401 11.293 ( 0.000 2.677 0.000) 2.677 11.370 ( 0.000 -1.136 0.000) 1.136 ======================= Grid point 6 (5/27) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 9.942 12.514 0.000) 15.983 0.506 ( 11.783 9.988 0.000) 15.447 0.806 ( 9.975 11.856 0.000) 15.494 0.823 ( 1.530 -4.586 0.000) 4.834 0.884 ( -0.573 -1.344 0.000) 1.461 0.991 ( -0.761 -1.716 0.000) 1.877 1.032 ( -1.804 -2.202 0.000) 2.847 1.054 ( 2.641 -0.228 0.000) 2.651 1.081 ( 7.945 3.449 0.000) 8.661 1.133 ( 0.198 1.092 0.000) 1.110 1.143 ( -0.478 -0.564 0.000) 0.740 1.168 ( 0.845 0.681 0.000) 1.086 1.174 ( 1.707 -0.154 0.000) 1.713 1.181 ( 0.755 0.356 0.000) 0.835 1.188 ( -0.464 2.497 0.000) 2.540 1.204 ( -1.006 -1.703 0.000) 1.978 1.232 ( 0.537 -0.242 0.000) 0.590 1.260 ( 0.041 1.748 0.000) 1.748 1.284 ( 1.831 -0.119 0.000) 1.835 1.292 ( 1.104 -1.007 0.000) 1.494 1.299 ( -2.608 0.181 0.000) 2.614 1.320 ( 3.307 -0.900 0.000) 3.427 1.340 ( -1.382 -0.368 0.000) 1.430 1.346 ( 1.361 -0.718 0.000) 1.539 1.371 ( 0.419 0.567 0.000) 0.705 1.399 ( -0.380 -1.074 0.000) 1.139 1.402 ( 1.112 -0.131 0.000) 1.120 1.415 ( 2.982 -1.593 0.000) 3.381 1.467 ( -1.306 -2.529 0.000) 2.846 1.490 ( -0.617 -2.499 0.000) 2.574 1.493 ( 2.283 -3.551 0.000) 4.221 1.495 ( 0.735 -0.900 0.000) 1.162 1.519 ( -0.501 -2.954 0.000) 2.996 1.568 ( 6.440 -2.135 0.000) 6.784 1.616 ( 5.194 -3.039 0.000) 6.017 1.647 ( 4.017 1.626 0.000) 4.334 1.675 ( 1.171 2.680 0.000) 2.924 1.717 ( 1.555 -2.715 0.000) 3.129 1.766 ( 0.451 4.364 0.000) 4.387 1.818 ( 5.470 3.038 0.000) 6.257 1.831 ( -1.276 -2.635 0.000) 2.928 1.887 ( 0.076 -3.060 0.000) 3.061 1.905 ( 3.372 -2.152 0.000) 4.000 1.924 ( -3.387 1.463 0.000) 3.690 1.925 ( 4.062 -0.441 0.000) 4.086 1.941 ( 5.812 -4.130 0.000) 7.130 2.013 ( 1.110 3.276 0.000) 3.459 2.055 ( -2.081 0.515 0.000) 2.144 2.083 ( 0.067 -0.473 0.000) 0.478 2.165 ( -3.308 -2.315 0.000) 4.037 2.206 ( -3.439 -1.912 0.000) 3.935 2.258 ( -2.789 1.790 0.000) 3.314 2.259 ( -2.030 -3.915 0.000) 4.410 2.308 ( -0.302 1.066 0.000) 1.108 2.316 ( -5.339 1.303 0.000) 5.496 2.359 ( 0.086 0.729 0.000) 0.734 2.395 ( -4.399 0.389 0.000) 4.417 2.432 ( 5.514 0.519 0.000) 5.539 2.478 ( -1.375 -2.467 0.000) 2.824 2.487 ( 2.280 -1.735 0.000) 2.865 2.626 ( -3.701 2.504 0.000) 4.468 2.682 ( -3.571 -0.002 0.000) 3.571 2.706 ( -1.269 1.516 0.000) 1.977 2.834 ( -2.358 1.445 0.000) 2.766 2.860 ( -0.489 -0.632 0.000) 0.799 2.891 ( -0.735 3.147 0.000) 3.232 2.935 ( 0.641 -1.841 0.000) 1.949 2.946 ( 0.162 -1.886 0.000) 1.893 3.057 ( -1.859 1.943 0.000) 2.689 3.066 ( 5.468 -0.279 0.000) 5.475 3.076 ( 0.626 0.792 0.000) 1.010 3.134 ( -0.038 0.617 0.000) 0.618 3.175 ( 1.282 4.836 0.000) 5.003 3.178 ( 2.498 -0.196 0.000) 2.506 3.203 ( -0.045 1.318 0.000) 1.318 3.262 ( -1.440 0.541 0.000) 1.538 3.269 ( -2.881 2.123 0.000) 3.578 3.355 ( -3.628 -1.116 0.000) 3.796 3.374 ( -2.133 -3.290 0.000) 3.921 3.389 ( 0.865 -0.742 0.000) 1.140 3.431 ( 0.295 0.109 0.000) 0.315 3.434 ( 0.820 0.282 0.000) 0.867 3.472 ( 0.610 0.864 0.000) 1.058 3.488 ( -4.132 2.597 0.000) 4.880 3.528 ( -2.782 2.957 0.000) 4.060 3.583 ( -1.183 -0.228 0.000) 1.205 3.614 ( 5.455 -1.269 0.000) 5.601 3.645 ( 3.384 7.417 0.000) 8.153 3.709 ( 1.716 0.658 0.000) 1.837 3.745 ( -3.760 -3.517 0.000) 5.148 3.799 ( 2.168 0.532 0.000) 2.232 3.811 ( -1.501 -1.109 0.000) 1.866 3.819 ( -0.410 -2.867 0.000) 2.896 3.920 ( 0.567 4.776 0.000) 4.810 3.945 ( -3.620 -3.058 0.000) 4.739 3.954 ( 2.569 0.202 0.000) 2.577 4.044 ( -6.460 1.072 0.000) 6.548 4.067 ( -0.835 7.304 0.000) 7.352 4.101 ( 2.155 -2.124 0.000) 3.026 4.147 ( -2.371 -0.799 0.000) 2.502 4.184 ( -4.011 -2.022 0.000) 4.492 4.190 ( 2.321 1.675 0.000) 2.862 4.254 ( -2.511 -0.722 0.000) 2.613 4.297 ( -2.069 -0.164 0.000) 2.076 4.319 ( 1.033 2.965 0.000) 3.140 4.384 ( 2.918 -0.003 0.000) 2.918 4.391 ( -0.195 -0.783 0.000) 0.807 4.453 ( -2.516 2.488 0.000) 3.538 4.511 ( -4.518 -1.475 0.000) 4.753 4.534 ( -0.270 -2.335 0.000) 2.351 4.553 ( -1.665 -2.808 0.000) 3.265 4.555 ( 1.271 -1.968 0.000) 2.343 4.670 ( -2.105 3.958 0.000) 4.483 4.767 ( -3.208 2.688 0.000) 4.185 4.831 ( -1.102 -2.282 0.000) 2.534 4.842 ( -1.147 -0.291 0.000) 1.183 4.857 ( 2.986 3.735 0.000) 4.782 4.871 ( 6.650 1.774 0.000) 6.882 4.970 ( -1.807 1.743 0.000) 2.510 5.035 ( 2.772 -5.347 0.000) 6.023 5.096 ( 0.715 -3.716 0.000) 3.784 5.139 ( -0.778 -3.381 0.000) 3.469 5.176 ( -2.261 -6.650 0.000) 7.024 5.197 ( -2.478 -4.540 0.000) 5.173 5.333 ( 1.065 2.928 0.000) 3.116 5.383 ( 2.133 0.793 0.000) 2.276 5.572 ( 9.245 4.632 0.000) 10.341 5.593 ( 1.624 2.155 0.000) 2.698 5.606 ( -2.378 0.831 0.000) 2.519 5.730 ( 11.171 0.244 0.000) 11.174 5.732 ( 9.420 -2.945 0.000) 9.869 5.792 ( -0.150 -0.271 0.000) 0.310 5.809 ( 1.599 0.052 0.000) 1.600 5.898 ( -1.703 0.410 0.000) 1.752 5.916 ( 6.348 -6.385 0.000) 9.003 5.924 ( 0.690 0.156 0.000) 0.708 6.021 ( 4.431 1.394 0.000) 4.645 6.196 ( 10.161 3.185 0.000) 10.649 6.254 ( 20.266 -12.429 0.000) 23.774 6.294 ( 7.333 2.330 0.000) 7.694 6.383 ( 9.100 -4.345 0.000) 10.084 6.464 ( 13.405 -7.158 0.000) 15.196 6.510 ( -1.634 1.125 0.000) 1.983 6.530 ( 0.895 1.475 0.000) 1.725 6.542 ( -0.111 0.130 0.000) 0.171 6.576 ( 4.504 -1.046 0.000) 4.623 6.804 ( -0.817 1.026 0.000) 1.312 6.826 ( -0.718 0.108 0.000) 0.726 7.216 ( -8.399 1.910 0.000) 8.614 7.277 ( -7.226 1.797 0.000) 7.446 7.332 ( -5.533 -2.705 0.000) 6.159 7.366 ( -5.185 -1.723 0.000) 5.464 8.458 ( 0.273 -0.627 0.000) 0.684 8.459 ( -0.139 -0.250 0.000) 0.286 8.480 ( 0.185 -0.340 0.000) 0.387 8.493 ( -0.269 -1.701 0.000) 1.722 8.542 ( -0.894 1.561 0.000) 1.799 8.576 ( -0.987 3.485 0.000) 3.622 8.586 ( 0.807 -0.308 0.000) 0.864 8.678 ( -4.945 1.569 0.000) 5.188 8.882 ( 0.094 2.143 0.000) 2.145 8.895 ( -0.533 1.149 0.000) 1.267 8.916 ( -0.383 0.134 0.000) 0.406 8.918 ( -0.810 0.913 0.000) 1.221 8.943 ( 1.016 0.052 0.000) 1.017 8.947 ( 1.564 0.672 0.000) 1.702 8.968 ( 0.527 -0.031 0.000) 0.528 9.011 ( -0.798 -1.359 0.000) 1.576 9.071 ( 2.047 0.141 0.000) 2.052 9.097 ( 1.881 -0.529 0.000) 1.954 9.244 ( -2.371 0.304 0.000) 2.391 9.254 ( -2.242 0.278 0.000) 2.259 9.339 ( 4.245 1.104 0.000) 4.386 9.467 ( 10.075 -5.866 0.000) 11.658 9.609 ( -2.122 1.547 0.000) 2.626 9.637 ( 1.853 0.482 0.000) 1.914 9.692 ( -0.914 -1.793 0.000) 2.013 9.693 ( 2.129 2.050 0.000) 2.956 9.719 ( 2.310 -2.650 0.000) 3.515 9.771 ( 2.184 -1.448 0.000) 2.620 9.780 ( -1.613 0.861 0.000) 1.829 9.818 ( -1.415 -1.058 0.000) 1.767 9.889 ( 0.961 2.450 0.000) 2.632 9.898 ( 4.148 -0.717 0.000) 4.209 9.929 ( -5.633 0.191 0.000) 5.637 10.015 ( 0.039 -3.669 0.000) 3.669 10.055 ( -1.536 0.309 0.000) 1.566 10.107 ( -3.458 -1.006 0.000) 3.601 10.201 ( 0.788 1.893 0.000) 2.051 10.273 ( -0.494 1.942 0.000) 2.004 10.279 ( 0.018 -1.677 0.000) 1.677 10.324 ( 3.738 -0.475 0.000) 3.769 10.361 ( -4.355 -0.877 0.000) 4.442 10.380 ( 0.768 -0.897 0.000) 1.181 10.432 ( -1.586 0.770 0.000) 1.763 10.510 ( 0.728 -1.030 0.000) 1.262 10.516 ( -0.185 -3.154 0.000) 3.159 10.518 ( 2.226 2.654 0.000) 3.464 10.522 ( 1.820 -1.856 0.000) 2.599 10.587 ( -1.333 -2.348 0.000) 2.700 10.594 ( -1.071 -2.075 0.000) 2.335 10.601 ( -0.387 4.600 0.000) 4.616 10.696 ( 2.069 -1.568 0.000) 2.596 10.710 ( -0.493 4.935 0.000) 4.960 10.721 ( 2.201 0.378 0.000) 2.234 10.765 ( 0.231 0.372 0.000) 0.438 10.773 ( -0.572 0.831 0.000) 1.009 10.860 ( 0.745 -1.732 0.000) 1.885 10.881 ( 0.345 1.367 0.000) 1.410 10.907 ( 0.173 1.815 0.000) 1.823 10.947 ( 2.811 -0.107 0.000) 2.813 10.947 ( -1.494 0.626 0.000) 1.620 10.977 ( 3.416 -1.678 0.000) 3.806 11.101 ( -4.118 -3.087 0.000) 5.146 11.187 ( -11.305 7.621 0.000) 13.634 11.252 ( -4.344 1.689 0.000) 4.660 ======================= Grid point 7 (6/27) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 11.752 3.513 0.000) 12.266 0.704 ( 9.037 3.692 0.000) 9.762 0.825 ( -3.992 0.178 0.000) 3.996 0.836 ( -2.522 -3.063 0.000) 3.968 0.907 ( 0.821 1.376 0.000) 1.602 0.927 ( -4.124 -0.424 0.000) 4.145 1.024 ( 1.221 -2.640 0.000) 2.908 1.056 ( -1.711 -4.239 0.000) 4.572 1.142 ( 0.393 -0.062 0.000) 0.398 1.147 ( 1.046 1.035 0.000) 1.471 1.157 ( -0.225 0.786 0.000) 0.817 1.173 ( -0.344 0.423 0.000) 0.546 1.193 ( 0.812 -0.213 0.000) 0.840 1.197 ( 0.140 0.856 0.000) 0.868 1.211 ( 1.781 0.401 0.000) 1.825 1.233 ( -0.503 -1.794 0.000) 1.863 1.235 ( -0.645 0.747 0.000) 0.987 1.247 ( -2.192 0.486 0.000) 2.246 1.306 ( 0.456 1.081 0.000) 1.173 1.316 ( -0.921 0.411 0.000) 1.008 1.319 ( 1.970 -2.596 0.000) 3.259 1.343 ( 1.338 -1.312 0.000) 1.874 1.366 ( 0.751 0.437 0.000) 0.868 1.375 ( 0.037 0.602 0.000) 0.603 1.395 ( 9.831 2.388 0.000) 10.117 1.407 ( 0.594 -1.387 0.000) 1.509 1.424 ( 3.237 0.475 0.000) 3.272 1.457 ( 1.843 -4.551 0.000) 4.910 1.460 ( 1.102 -1.431 0.000) 1.806 1.486 ( 1.820 0.065 0.000) 1.821 1.498 ( -1.225 -1.255 0.000) 1.754 1.514 ( 0.718 -2.779 0.000) 2.870 1.529 ( 0.606 -5.692 0.000) 5.724 1.635 ( -6.019 3.362 0.000) 6.894 1.692 ( 2.114 -1.753 0.000) 2.747 1.733 ( 9.801 0.734 0.000) 9.828 1.746 ( -3.044 1.521 0.000) 3.403 1.776 ( 5.109 1.121 0.000) 5.230 1.781 ( 6.627 -1.390 0.000) 6.772 1.821 ( 2.698 3.396 0.000) 4.338 1.848 ( -0.042 1.896 0.000) 1.896 1.859 ( -3.145 2.077 0.000) 3.769 1.902 ( -1.888 4.479 0.000) 4.861 1.964 ( -0.257 -3.616 0.000) 3.625 1.966 ( 4.579 -0.902 0.000) 4.667 2.000 ( -4.423 0.254 0.000) 4.431 2.011 ( -0.834 0.470 0.000) 0.958 2.057 ( -0.237 -0.401 0.000) 0.465 2.105 ( -0.832 2.714 0.000) 2.839 2.106 ( -1.762 0.212 0.000) 1.774 2.123 ( 1.665 -1.189 0.000) 2.046 2.201 ( -5.283 0.020 0.000) 5.283 2.211 ( -0.349 -1.291 0.000) 1.337 2.228 ( -1.799 -1.710 0.000) 2.482 2.275 ( -3.051 -0.996 0.000) 3.210 2.285 ( -4.689 -1.400 0.000) 4.894 2.398 ( 2.445 2.436 0.000) 3.451 2.449 ( -2.242 1.848 0.000) 2.906 2.511 ( 0.854 -0.890 0.000) 1.234 2.517 ( 0.640 -1.748 0.000) 1.862 2.637 ( 5.550 1.372 0.000) 5.717 2.673 ( 2.623 1.550 0.000) 3.046 2.690 ( -0.825 2.885 0.000) 3.000 2.755 ( -4.952 4.051 0.000) 6.398 2.848 ( -1.443 -1.921 0.000) 2.403 2.853 ( -2.504 3.715 0.000) 4.480 2.943 ( 0.882 -3.414 0.000) 3.526 2.955 ( 0.137 -4.341 0.000) 4.343 3.053 ( 1.287 -1.674 0.000) 2.111 3.075 ( -0.345 1.123 0.000) 1.175 3.115 ( -0.529 -2.916 0.000) 2.963 3.121 ( -1.269 0.058 0.000) 1.271 3.192 ( 0.587 2.495 0.000) 2.563 3.198 ( 0.098 3.891 0.000) 3.893 3.246 ( 1.937 -1.034 0.000) 2.196 3.252 ( 0.677 2.058 0.000) 2.167 3.268 ( 1.763 -2.072 0.000) 2.720 3.298 ( -2.063 -1.930 0.000) 2.825 3.353 ( 0.268 -1.097 0.000) 1.130 3.378 ( -1.956 -0.152 0.000) 1.962 3.441 ( 0.623 -0.001 0.000) 0.623 3.458 ( 0.543 -1.191 0.000) 1.309 3.464 ( 1.214 -1.817 0.000) 2.186 3.468 ( -0.630 -0.227 0.000) 0.670 3.526 ( 2.175 2.215 0.000) 3.104 3.577 ( -1.038 2.916 0.000) 3.095 3.645 ( -1.384 0.175 0.000) 1.395 3.655 ( -3.053 -0.676 0.000) 3.127 3.727 ( 1.054 1.765 0.000) 2.056 3.728 ( 2.707 5.260 0.000) 5.916 3.801 ( 0.225 2.059 0.000) 2.071 3.802 ( 0.732 -0.532 0.000) 0.905 3.888 ( -1.385 -0.942 0.000) 1.675 3.905 ( 5.326 -1.178 0.000) 5.455 3.911 ( -3.486 0.882 0.000) 3.596 3.955 ( -1.388 0.603 0.000) 1.513 3.992 ( 2.263 1.257 0.000) 2.589 4.054 ( 0.744 3.056 0.000) 3.146 4.081 ( -6.282 -1.135 0.000) 6.384 4.095 ( -3.211 -0.628 0.000) 3.272 4.172 ( 4.715 -0.610 0.000) 4.755 4.208 ( 0.373 0.230 0.000) 0.438 4.222 ( -1.413 -0.568 0.000) 1.523 4.249 ( -3.285 -1.697 0.000) 3.698 4.356 ( 2.328 -1.268 0.000) 2.651 4.403 ( 1.424 -0.522 0.000) 1.516 4.410 ( -1.984 -1.250 0.000) 2.345 4.423 ( -2.408 0.444 0.000) 2.448 4.472 ( 2.790 0.764 0.000) 2.893 4.518 ( -1.751 0.140 0.000) 1.757 4.549 ( 0.716 -3.502 0.000) 3.574 4.566 ( -0.680 -2.364 0.000) 2.460 4.651 ( 1.252 3.354 0.000) 3.580 4.702 ( -3.625 2.822 0.000) 4.595 4.812 ( -0.618 -2.873 0.000) 2.939 4.816 ( -1.081 -1.875 0.000) 2.164 4.891 ( 2.025 3.772 0.000) 4.281 4.931 ( -2.270 2.901 0.000) 3.683 5.004 ( 5.998 0.780 0.000) 6.048 5.081 ( -2.562 -0.543 0.000) 2.619 5.097 ( 3.487 -5.073 0.000) 6.156 5.143 ( 0.612 -5.797 0.000) 5.829 5.153 ( -2.502 -4.530 0.000) 5.175 5.153 ( -0.560 -5.376 0.000) 5.405 5.379 ( 4.420 3.785 0.000) 5.819 5.431 ( 3.619 2.057 0.000) 4.163 5.489 ( -7.179 3.397 0.000) 7.942 5.518 ( -5.590 1.919 0.000) 5.910 5.711 ( 4.370 2.111 0.000) 4.854 5.748 ( -1.394 1.078 0.000) 1.762 5.800 ( 0.325 -0.375 0.000) 0.496 5.809 ( -0.310 -0.563 0.000) 0.643 5.897 ( 1.814 -0.884 0.000) 2.019 5.901 ( 0.853 -1.074 0.000) 1.371 5.938 ( 0.700 -1.071 0.000) 1.280 5.948 ( -0.470 -2.142 0.000) 2.193 6.273 ( 16.293 2.366 0.000) 16.464 6.420 ( 3.716 -0.232 0.000) 3.723 6.432 ( 4.914 -2.111 0.000) 5.348 6.466 ( -1.278 -1.705 0.000) 2.131 6.474 ( 7.115 1.685 0.000) 7.312 6.510 ( 5.737 2.942 0.000) 6.447 6.558 ( 2.151 1.199 0.000) 2.463 6.565 ( -0.195 1.544 0.000) 1.556 6.693 ( 12.926 -1.354 0.000) 12.996 6.819 ( 17.359 -10.053 0.000) 20.060 6.831 ( 3.675 -0.158 0.000) 3.678 6.886 ( 9.337 -2.863 0.000) 9.766 7.016 ( -10.338 2.546 0.000) 10.647 7.082 ( -12.811 2.711 0.000) 13.095 7.157 ( -13.216 -3.865 0.000) 13.769 7.199 ( -13.256 -2.172 0.000) 13.433 8.457 ( 0.015 -0.283 0.000) 0.283 8.459 ( -0.109 -0.589 0.000) 0.599 8.483 ( 0.200 -0.464 0.000) 0.506 8.488 ( -0.322 -1.120 0.000) 1.165 8.536 ( 0.477 2.293 0.000) 2.342 8.555 ( -1.270 2.414 0.000) 2.728 8.600 ( 0.810 -0.123 0.000) 0.819 8.621 ( -1.780 0.897 0.000) 1.993 8.888 ( 0.668 1.230 0.000) 1.399 8.890 ( 0.129 1.264 0.000) 1.271 8.901 ( -0.936 1.048 0.000) 1.405 8.904 ( -0.896 0.506 0.000) 1.029 8.966 ( 1.280 -0.159 0.000) 1.289 8.969 ( 0.740 0.222 0.000) 0.772 8.976 ( 0.308 -0.076 0.000) 0.317 8.993 ( -1.256 -0.723 0.000) 1.449 9.123 ( 3.546 0.150 0.000) 3.549 9.141 ( 2.927 -0.322 0.000) 2.945 9.190 ( -3.512 0.092 0.000) 3.514 9.199 ( -3.307 -0.142 0.000) 3.310 9.444 ( 6.377 2.620 0.000) 6.894 9.548 ( -4.697 2.499 0.000) 5.320 9.613 ( 5.903 -3.648 0.000) 6.939 9.669 ( -1.573 -1.528 0.000) 2.193 9.672 ( 2.619 0.547 0.000) 2.676 9.718 ( 1.191 -0.768 0.000) 1.417 9.739 ( -2.700 -0.346 0.000) 2.722 9.766 ( -4.559 -2.062 0.000) 5.003 9.794 ( 3.735 0.159 0.000) 3.738 9.829 ( 5.817 0.926 0.000) 5.890 9.844 ( -2.966 1.973 0.000) 3.563 9.915 ( 1.796 1.346 0.000) 2.244 9.941 ( -0.288 -1.207 0.000) 1.241 9.965 ( -7.758 0.412 0.000) 7.769 10.030 ( 1.824 -2.719 0.000) 3.274 10.060 ( -1.360 -0.526 0.000) 1.458 10.227 ( 1.791 0.956 0.000) 2.030 10.260 ( -1.276 1.163 0.000) 1.726 10.281 ( 0.194 -2.273 0.000) 2.281 10.295 ( -2.097 -1.606 0.000) 2.641 10.380 ( 1.752 -1.201 0.000) 2.124 10.406 ( -1.393 0.016 0.000) 1.393 10.423 ( 3.814 -2.165 0.000) 4.386 10.484 ( -2.567 -3.384 0.000) 4.248 10.533 ( 1.007 -1.029 0.000) 1.440 10.543 ( 0.276 0.755 0.000) 0.804 10.552 ( 1.178 -1.664 0.000) 2.039 10.565 ( -0.621 -1.271 0.000) 1.414 10.584 ( -0.397 -0.363 0.000) 0.538 10.588 ( -0.770 3.093 0.000) 3.188 10.710 ( 0.484 4.157 0.000) 4.185 10.718 ( 0.263 3.078 0.000) 3.089 10.748 ( 0.492 -2.641 0.000) 2.687 10.762 ( -0.646 -0.720 0.000) 0.967 10.806 ( 4.306 1.165 0.000) 4.461 10.867 ( -0.585 -1.788 0.000) 1.881 10.885 ( 0.141 2.003 0.000) 2.008 10.905 ( -2.924 2.137 0.000) 3.622 10.926 ( 1.854 2.919 0.000) 3.458 10.985 ( -5.425 5.958 0.000) 8.058 11.007 ( 3.616 -1.017 0.000) 3.756 11.056 ( 5.136 -1.741 0.000) 5.423 11.075 ( -3.928 -1.590 0.000) 4.237 11.157 ( -5.733 -0.222 0.000) 5.738 ======================= Grid point 10 (7/27) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 0.000 -10.719 0.000) 10.719 0.653 ( 0.000 10.719 0.000) 10.719 0.690 ( 0.000 -12.765 0.000) 12.765 0.690 ( 0.000 12.765 0.000) 12.765 0.993 ( 0.000 -3.247 0.000) 3.247 0.993 ( 0.000 3.247 0.000) 3.247 0.999 ( 0.000 -0.866 0.000) 0.866 0.999 ( 0.000 0.866 0.000) 0.866 1.134 ( 0.000 -0.621 0.000) 0.621 1.134 ( 0.000 0.621 0.000) 0.621 1.149 ( 0.000 -0.381 0.000) 0.381 1.149 ( 0.000 0.381 0.000) 0.381 1.185 ( 0.000 -0.565 0.000) 0.565 1.185 ( 0.000 0.565 0.000) 0.565 1.230 ( 0.000 -5.705 0.000) 5.705 1.230 ( 0.000 5.705 0.000) 5.705 1.235 ( 0.000 -1.151 0.000) 1.151 1.235 ( 0.000 1.151 0.000) 1.151 1.293 ( 0.000 -1.922 0.000) 1.922 1.293 ( 0.000 1.922 0.000) 1.922 1.315 ( 0.000 -8.762 0.000) 8.762 1.315 ( 0.000 8.762 0.000) 8.762 1.326 ( 0.000 -4.426 0.000) 4.426 1.326 ( 0.000 4.426 0.000) 4.426 1.365 ( 0.000 -5.884 0.000) 5.884 1.365 ( 0.000 5.884 0.000) 5.884 1.386 ( 0.000 -1.514 0.000) 1.514 1.386 ( 0.000 1.514 0.000) 1.514 1.428 ( 0.000 -2.823 0.000) 2.823 1.428 ( 0.000 2.823 0.000) 2.823 1.454 ( 0.000 -1.710 0.000) 1.710 1.454 ( 0.000 1.710 0.000) 1.710 1.491 ( 0.000 -0.691 0.000) 0.691 1.491 ( 0.000 0.691 0.000) 0.691 1.534 ( 0.000 -1.869 0.000) 1.869 1.534 ( 0.000 1.869 0.000) 1.869 1.658 ( 0.000 -3.401 0.000) 3.401 1.658 ( 0.000 3.401 0.000) 3.401 1.779 ( 0.000 -1.854 0.000) 1.854 1.779 ( 0.000 1.854 0.000) 1.854 1.801 ( 0.000 -1.419 0.000) 1.419 1.801 ( 0.000 1.419 0.000) 1.419 1.879 ( 0.000 -2.335 0.000) 2.335 1.879 ( 0.000 2.335 0.000) 2.335 1.911 ( 0.000 -4.001 0.000) 4.001 1.911 ( 0.000 4.001 0.000) 4.001 2.087 ( 0.000 -1.012 0.000) 1.012 2.087 ( 0.000 1.012 0.000) 1.012 2.171 ( 0.000 -4.001 0.000) 4.001 2.171 ( 0.000 4.001 0.000) 4.001 2.175 ( 0.000 -5.289 0.000) 5.289 2.175 ( 0.000 5.289 0.000) 5.289 2.270 ( 0.000 -1.293 0.000) 1.293 2.270 ( 0.000 1.293 0.000) 1.293 2.373 ( 0.000 -0.591 0.000) 0.591 2.373 ( 0.000 0.591 0.000) 0.591 2.436 ( 0.000 -2.795 0.000) 2.795 2.436 ( 0.000 2.795 0.000) 2.795 2.441 ( 0.000 -0.669 0.000) 0.669 2.441 ( 0.000 0.669 0.000) 0.669 2.719 ( 0.000 -1.409 0.000) 1.409 2.719 ( 0.000 1.409 0.000) 1.409 2.762 ( 0.000 -3.305 0.000) 3.305 2.762 ( 0.000 3.305 0.000) 3.305 2.903 ( 0.000 -0.964 0.000) 0.964 2.903 ( 0.000 0.964 0.000) 0.964 2.942 ( 0.000 -1.069 0.000) 1.069 2.942 ( 0.000 1.069 0.000) 1.069 3.034 ( 0.000 -2.109 0.000) 2.109 3.034 ( 0.000 2.109 0.000) 2.109 3.122 ( 0.000 -2.002 0.000) 2.002 3.122 ( 0.000 2.002 0.000) 2.002 3.179 ( 0.000 -3.018 0.000) 3.018 3.179 ( 0.000 3.018 0.000) 3.018 3.285 ( 0.000 -5.890 0.000) 5.890 3.285 ( 0.000 5.890 0.000) 5.890 3.302 ( 0.000 -2.336 0.000) 2.336 3.302 ( 0.000 2.336 0.000) 2.336 3.362 ( 0.000 -3.541 0.000) 3.541 3.362 ( 0.000 3.541 0.000) 3.541 3.478 ( 0.000 -3.106 0.000) 3.106 3.478 ( 0.000 3.106 0.000) 3.106 3.516 ( 0.000 -4.335 0.000) 4.335 3.516 ( 0.000 4.335 0.000) 4.335 3.538 ( 0.000 -1.473 0.000) 1.473 3.538 ( 0.000 1.473 0.000) 1.473 3.701 ( 0.000 -2.169 0.000) 2.169 3.701 ( 0.000 2.169 0.000) 2.169 3.717 ( 0.000 -2.576 0.000) 2.576 3.717 ( 0.000 2.576 0.000) 2.576 3.741 ( 0.000 -3.112 0.000) 3.112 3.741 ( 0.000 3.112 0.000) 3.112 3.880 ( 0.000 -2.816 0.000) 2.816 3.880 ( 0.000 2.816 0.000) 2.816 3.983 ( 0.000 -4.588 0.000) 4.588 3.983 ( 0.000 4.588 0.000) 4.588 4.063 ( 0.000 -5.438 0.000) 5.438 4.063 ( 0.000 5.438 0.000) 5.438 4.177 ( 0.000 -1.227 0.000) 1.227 4.177 ( 0.000 1.227 0.000) 1.227 4.205 ( 0.000 -0.362 0.000) 0.362 4.205 ( 0.000 0.362 0.000) 0.362 4.304 ( 0.000 -1.377 0.000) 1.377 4.304 ( 0.000 1.377 0.000) 1.377 4.374 ( 0.000 -1.103 0.000) 1.103 4.374 ( 0.000 1.103 0.000) 1.103 4.436 ( 0.000 -5.335 0.000) 5.335 4.436 ( 0.000 5.335 0.000) 5.335 4.501 ( 0.000 -0.930 0.000) 0.930 4.501 ( 0.000 0.930 0.000) 0.930 4.592 ( 0.000 -2.084 0.000) 2.084 4.592 ( 0.000 2.084 0.000) 2.084 4.780 ( 0.000 -4.071 0.000) 4.071 4.780 ( 0.000 4.071 0.000) 4.071 4.815 ( 0.000 -2.319 0.000) 2.319 4.815 ( 0.000 2.319 0.000) 2.319 4.866 ( 0.000 -1.587 0.000) 1.587 4.866 ( 0.000 1.587 0.000) 1.587 5.020 ( 0.000 -1.672 0.000) 1.672 5.020 ( 0.000 1.672 0.000) 1.672 5.037 ( 0.000 -0.428 0.000) 0.428 5.037 ( 0.000 0.428 0.000) 0.428 5.145 ( 0.000 -2.874 0.000) 2.874 5.145 ( 0.000 2.874 0.000) 2.874 5.352 ( 0.000 -0.737 0.000) 0.737 5.352 ( 0.000 0.737 0.000) 0.737 5.386 ( 0.000 -2.774 0.000) 2.774 5.386 ( 0.000 2.774 0.000) 2.774 5.554 ( 0.000 -2.328 0.000) 2.328 5.554 ( 0.000 2.328 0.000) 2.328 5.689 ( 0.000 -2.864 0.000) 2.864 5.689 ( 0.000 2.864 0.000) 2.864 5.845 ( 0.000 -2.340 0.000) 2.340 5.845 ( 0.000 2.340 0.000) 2.340 5.926 ( 0.000 -0.170 0.000) 0.170 5.926 ( 0.000 0.170 0.000) 0.170 6.075 ( 0.000 -3.924 0.000) 3.924 6.075 ( 0.000 3.924 0.000) 3.924 6.195 ( 0.000 -4.957 0.000) 4.957 6.195 ( 0.000 4.957 0.000) 4.957 6.251 ( 0.000 -0.271 0.000) 0.271 6.251 ( 0.000 0.271 0.000) 0.271 6.543 ( 0.000 -0.355 0.000) 0.355 6.543 ( 0.000 0.355 0.000) 0.355 6.544 ( 0.000 -0.970 0.000) 0.970 6.544 ( 0.000 0.970 0.000) 0.970 6.836 ( 0.000 -0.044 0.000) 0.044 6.836 ( 0.000 0.044 0.000) 0.044 7.332 ( 0.000 -2.044 0.000) 2.044 7.332 ( 0.000 2.044 0.000) 2.044 7.375 ( 0.000 -1.834 0.000) 1.834 7.375 ( 0.000 1.834 0.000) 1.834 8.461 ( 0.000 -1.207 0.000) 1.207 8.461 ( 0.000 1.207 0.000) 1.207 8.467 ( 0.000 -0.655 0.000) 0.655 8.467 ( 0.000 0.655 0.000) 0.655 8.569 ( 0.000 -0.415 0.000) 0.415 8.569 ( 0.000 0.415 0.000) 0.415 8.683 ( 0.000 -4.733 0.000) 4.733 8.683 ( 0.000 4.733 0.000) 4.733 8.912 ( 0.000 -0.250 0.000) 0.250 8.912 ( 0.000 0.250 0.000) 0.250 8.923 ( 0.000 -1.144 0.000) 1.144 8.923 ( 0.000 1.144 0.000) 1.144 8.951 ( 0.000 -1.347 0.000) 1.347 8.951 ( 0.000 1.347 0.000) 1.347 8.971 ( 0.000 -2.837 0.000) 2.837 8.971 ( 0.000 2.837 0.000) 2.837 9.062 ( 0.000 -0.861 0.000) 0.861 9.062 ( 0.000 0.861 0.000) 0.861 9.278 ( 0.000 -0.217 0.000) 0.217 9.278 ( 0.000 0.217 0.000) 0.217 9.301 ( 0.000 -0.325 0.000) 0.325 9.301 ( 0.000 0.325 0.000) 0.325 9.639 ( 0.000 -2.010 0.000) 2.010 9.639 ( 0.000 2.010 0.000) 2.010 9.660 ( 0.000 -1.910 0.000) 1.910 9.660 ( 0.000 1.910 0.000) 1.910 9.720 ( 0.000 -2.005 0.000) 2.005 9.720 ( 0.000 2.005 0.000) 2.005 9.818 ( 0.000 -0.954 0.000) 0.954 9.818 ( 0.000 0.954 0.000) 0.954 9.927 ( 0.000 -4.253 0.000) 4.253 9.927 ( 0.000 4.253 0.000) 4.253 9.942 ( 0.000 -3.094 0.000) 3.094 9.942 ( 0.000 3.094 0.000) 3.094 10.092 ( 0.000 -1.101 0.000) 1.101 10.092 ( 0.000 1.101 0.000) 1.101 10.242 ( 0.000 -1.710 0.000) 1.710 10.242 ( 0.000 1.710 0.000) 1.710 10.338 ( 0.000 -2.770 0.000) 2.770 10.338 ( 0.000 2.770 0.000) 2.770 10.351 ( 0.000 -3.840 0.000) 3.840 10.351 ( 0.000 3.840 0.000) 3.840 10.463 ( 0.000 -0.036 0.000) 0.036 10.463 ( 0.000 0.036 0.000) 0.036 10.490 ( 0.000 -0.288 0.000) 0.288 10.490 ( 0.000 0.288 0.000) 0.288 10.558 ( 0.000 -3.435 0.000) 3.435 10.558 ( 0.000 3.435 0.000) 3.435 10.594 ( 0.000 -1.453 0.000) 1.453 10.594 ( 0.000 1.453 0.000) 1.453 10.716 ( 0.000 -4.923 0.000) 4.923 10.716 ( 0.000 4.923 0.000) 4.923 10.753 ( 0.000 -2.191 0.000) 2.191 10.753 ( 0.000 2.191 0.000) 2.191 10.807 ( 0.000 -3.161 0.000) 3.161 10.807 ( 0.000 3.161 0.000) 3.161 10.901 ( 0.000 -0.865 0.000) 0.865 10.901 ( 0.000 0.865 0.000) 0.865 10.932 ( 0.000 -0.306 0.000) 0.306 10.932 ( 0.000 0.306 0.000) 0.306 11.019 ( 0.000 -5.076 0.000) 5.076 11.019 ( 0.000 5.076 0.000) 5.076 11.339 ( 0.000 -1.916 0.000) 1.916 11.339 ( 0.000 1.916 0.000) 1.916 ======================= Grid point 12 (8/27) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 4.579 -8.033 0.000) 9.247 0.701 ( 4.579 8.033 0.000) 9.247 0.730 ( 3.839 -10.913 0.000) 11.568 0.730 ( 3.839 10.913 0.000) 11.568 0.980 ( -1.867 -1.610 0.000) 2.465 0.980 ( -1.867 1.610 0.000) 2.465 0.981 ( -1.341 -3.929 0.000) 4.152 0.981 ( -1.341 3.929 0.000) 4.152 1.146 ( 0.343 -1.412 0.000) 1.453 1.146 ( 0.343 1.412 0.000) 1.453 1.148 ( 0.985 -0.472 0.000) 1.092 1.148 ( 0.985 0.472 0.000) 1.092 1.188 ( 0.353 -0.794 0.000) 0.869 1.188 ( 0.353 0.794 0.000) 0.869 1.255 ( 1.130 -1.412 0.000) 1.809 1.255 ( 1.130 1.412 0.000) 1.809 1.256 ( 0.184 -3.900 0.000) 3.905 1.256 ( 0.184 3.900 0.000) 3.905 1.294 ( -1.162 -1.218 0.000) 1.684 1.294 ( -1.162 1.218 0.000) 1.684 1.315 ( 1.943 -1.980 0.000) 2.774 1.315 ( 1.943 1.980 0.000) 2.774 1.330 ( 0.568 -2.075 0.000) 2.151 1.330 ( 0.568 2.075 0.000) 2.151 1.391 ( 0.268 -0.497 0.000) 0.564 1.391 ( 0.268 0.497 0.000) 0.564 1.394 ( 1.997 -2.415 0.000) 3.134 1.394 ( 1.997 2.415 0.000) 3.134 1.446 ( 1.875 -3.278 0.000) 3.776 1.446 ( 1.875 3.278 0.000) 3.776 1.468 ( 3.401 -5.127 0.000) 6.153 1.468 ( 3.401 5.127 0.000) 6.153 1.487 ( -0.174 -0.343 0.000) 0.385 1.487 ( -0.174 0.343 0.000) 0.385 1.600 ( 6.677 -2.454 0.000) 7.114 1.600 ( 6.677 2.454 0.000) 7.114 1.700 ( 4.639 -2.481 0.000) 5.261 1.700 ( 4.639 2.481 0.000) 5.261 1.788 ( -1.438 -1.337 0.000) 1.963 1.788 ( -1.438 1.337 0.000) 1.963 1.851 ( 5.935 -1.310 0.000) 6.077 1.851 ( 5.935 1.310 0.000) 6.077 1.907 ( 3.622 -1.352 0.000) 3.866 1.907 ( 3.622 1.352 0.000) 3.866 1.914 ( 0.032 -2.239 0.000) 2.239 1.914 ( 0.032 2.239 0.000) 2.239 2.067 ( -2.276 -0.600 0.000) 2.354 2.067 ( -2.276 0.600 0.000) 2.354 2.138 ( -2.811 -4.184 0.000) 5.041 2.138 ( -2.811 4.184 0.000) 5.041 2.165 ( -0.532 -3.828 0.000) 3.865 2.165 ( -0.532 3.828 0.000) 3.865 2.297 ( -0.708 -1.649 0.000) 1.795 2.297 ( -0.708 1.649 0.000) 1.795 2.348 ( -3.592 -1.454 0.000) 3.875 2.348 ( -3.592 1.454 0.000) 3.875 2.434 ( 0.357 -2.948 0.000) 2.970 2.434 ( 0.357 2.948 0.000) 2.970 2.446 ( 2.624 -0.954 0.000) 2.792 2.446 ( 2.624 0.954 0.000) 2.792 2.670 ( -3.585 -1.546 0.000) 3.905 2.670 ( -3.585 1.546 0.000) 3.905 2.770 ( 0.815 -4.196 0.000) 4.274 2.770 ( 0.815 4.196 0.000) 4.274 2.911 ( -2.545 -1.701 0.000) 3.061 2.911 ( -1.033 0.247 0.000) 1.062 2.911 ( -0.614 0.368 0.000) 0.716 2.911 ( -1.579 1.086 0.000) 1.916 3.073 ( 2.722 -0.811 0.000) 2.841 3.073 ( 2.722 0.811 0.000) 2.841 3.102 ( -1.582 -2.803 0.000) 3.219 3.102 ( -1.582 2.803 0.000) 3.219 3.207 ( 1.954 -2.781 0.000) 3.399 3.207 ( 1.954 2.781 0.000) 3.399 3.276 ( -1.025 -4.876 0.000) 4.983 3.276 ( -1.025 4.876 0.000) 4.983 3.307 ( 0.614 -4.472 0.000) 4.514 3.307 ( 0.614 4.472 0.000) 4.514 3.321 ( -2.854 -2.605 0.000) 3.864 3.321 ( -2.854 2.605 0.000) 3.864 3.465 ( -0.870 -2.032 0.000) 2.210 3.465 ( -0.870 2.032 0.000) 2.210 3.481 ( -3.353 -2.738 0.000) 4.329 3.481 ( -3.353 2.738 0.000) 4.329 3.591 ( 4.523 -1.270 0.000) 4.698 3.591 ( 4.523 1.270 0.000) 4.698 3.636 ( -4.565 -6.319 0.000) 7.796 3.636 ( -4.565 6.319 0.000) 7.796 3.748 ( 2.241 -3.057 0.000) 3.790 3.748 ( 2.241 3.057 0.000) 3.790 3.769 ( 3.045 -3.877 0.000) 4.930 3.769 ( 3.045 3.877 0.000) 4.930 3.847 ( -1.934 -4.038 0.000) 4.477 3.847 ( -1.934 4.038 0.000) 4.477 4.019 ( 2.727 -4.547 0.000) 5.302 4.019 ( 2.727 4.547 0.000) 5.302 4.027 ( -3.792 -3.880 0.000) 5.425 4.027 ( -3.792 3.880 0.000) 5.425 4.142 ( -3.539 -1.396 0.000) 3.805 4.142 ( -3.539 1.396 0.000) 3.805 4.205 ( -0.268 -3.177 0.000) 3.189 4.205 ( -0.268 3.177 0.000) 3.189 4.265 ( -3.193 -1.824 0.000) 3.677 4.265 ( -3.193 1.824 0.000) 3.677 4.355 ( -1.124 -1.775 0.000) 2.101 4.355 ( -1.124 1.775 0.000) 2.101 4.427 ( 0.568 -3.448 0.000) 3.495 4.427 ( 0.568 3.448 0.000) 3.495 4.511 ( -4.517 -1.125 0.000) 4.655 4.511 ( -4.517 1.125 0.000) 4.655 4.516 ( 1.348 -1.219 0.000) 1.817 4.516 ( 1.348 1.219 0.000) 1.817 4.759 ( -1.933 -4.427 0.000) 4.831 4.759 ( -1.933 4.427 0.000) 4.831 4.817 ( -2.656 -1.921 0.000) 3.278 4.817 ( -2.656 1.921 0.000) 3.278 4.912 ( 5.593 -2.090 0.000) 5.971 4.912 ( 5.593 2.090 0.000) 5.971 5.022 ( 0.196 -6.937 0.000) 6.939 5.022 ( 0.196 6.937 0.000) 6.939 5.022 ( 0.081 -3.228 0.000) 3.229 5.022 ( 0.081 3.228 0.000) 3.229 5.124 ( -1.616 -2.036 0.000) 2.599 5.124 ( -1.616 2.036 0.000) 2.599 5.378 ( 2.290 -1.303 0.000) 2.635 5.378 ( 2.290 1.303 0.000) 2.635 5.623 ( -0.151 -0.864 0.000) 0.877 5.623 ( -0.151 0.864 0.000) 0.877 5.660 ( 8.781 -3.969 0.000) 9.636 5.660 ( 8.781 3.969 0.000) 9.636 5.743 ( 13.963 -3.173 0.000) 14.319 5.743 ( 13.963 3.173 0.000) 14.319 5.831 ( 1.033 -1.721 0.000) 2.007 5.831 ( 1.033 1.721 0.000) 2.007 5.914 ( -0.885 -0.902 0.000) 1.264 5.914 ( -0.885 0.902 0.000) 1.264 6.089 ( 7.679 -5.212 0.000) 9.281 6.089 ( 7.679 5.212 0.000) 9.281 6.283 ( 9.836 -5.048 0.000) 11.055 6.283 ( 9.836 5.048 0.000) 11.055 6.367 ( 9.886 -4.021 0.000) 10.673 6.367 ( 9.886 4.021 0.000) 10.673 6.533 ( -0.767 -0.968 0.000) 1.235 6.533 ( -0.767 0.968 0.000) 1.235 6.559 ( 1.921 -1.134 0.000) 2.231 6.559 ( 1.921 1.134 0.000) 2.231 6.823 ( -1.172 -0.577 0.000) 1.307 6.823 ( -1.172 0.577 0.000) 1.307 7.269 ( -7.101 -3.163 0.000) 7.774 7.269 ( -7.101 3.163 0.000) 7.774 7.322 ( -6.157 -2.436 0.000) 6.621 7.322 ( -6.157 2.436 0.000) 6.621 8.462 ( 0.128 -1.071 0.000) 1.078 8.462 ( 0.128 1.071 0.000) 1.078 8.467 ( -0.011 -0.767 0.000) 0.767 8.467 ( -0.011 0.767 0.000) 0.767 8.571 ( 0.200 -1.181 0.000) 1.198 8.571 ( 0.200 1.181 0.000) 1.198 8.651 ( -2.713 -3.260 0.000) 4.241 8.651 ( -2.713 3.260 0.000) 4.241 8.914 ( -0.068 -0.490 0.000) 0.495 8.914 ( -0.068 0.490 0.000) 0.495 8.920 ( -0.458 -1.138 0.000) 1.226 8.920 ( -0.458 1.138 0.000) 1.226 8.955 ( 0.557 -1.073 0.000) 1.210 8.955 ( 0.557 1.073 0.000) 1.210 8.974 ( 0.296 -1.939 0.000) 1.961 8.974 ( 0.296 1.939 0.000) 1.961 9.081 ( 2.066 -0.838 0.000) 2.230 9.081 ( 2.066 0.838 0.000) 2.230 9.252 ( -2.676 -0.394 0.000) 2.705 9.252 ( -2.676 0.394 0.000) 2.705 9.378 ( 7.418 -2.920 0.000) 7.972 9.378 ( 7.418 2.920 0.000) 7.972 9.649 ( -1.152 -2.232 0.000) 2.511 9.649 ( -1.152 2.232 0.000) 2.511 9.662 ( 1.821 -1.949 0.000) 2.667 9.662 ( 1.821 1.949 0.000) 2.667 9.743 ( 2.993 -1.903 0.000) 3.547 9.743 ( 2.993 1.903 0.000) 3.547 9.797 ( -2.394 -0.942 0.000) 2.573 9.797 ( -2.394 0.942 0.000) 2.573 9.928 ( -1.312 -0.910 0.000) 1.597 9.928 ( -1.312 0.910 0.000) 1.597 9.935 ( 0.858 -3.502 0.000) 3.606 9.935 ( 0.858 3.502 0.000) 3.606 10.072 ( -2.285 -1.579 0.000) 2.778 10.072 ( -2.285 1.579 0.000) 2.778 10.241 ( 0.009 -1.769 0.000) 1.769 10.241 ( 0.009 1.769 0.000) 1.769 10.324 ( -2.452 -2.580 0.000) 3.559 10.324 ( -2.452 2.580 0.000) 3.559 10.347 ( 1.229 -2.049 0.000) 2.389 10.347 ( 1.229 2.049 0.000) 2.389 10.457 ( -1.031 -1.953 0.000) 2.209 10.457 ( -1.031 1.953 0.000) 2.209 10.503 ( 1.317 -0.290 0.000) 1.349 10.503 ( 1.317 0.290 0.000) 1.349 10.550 ( -0.429 -0.979 0.000) 1.069 10.550 ( -0.429 0.979 0.000) 1.069 10.617 ( 1.920 -3.814 0.000) 4.271 10.617 ( 1.920 3.814 0.000) 4.271 10.708 ( -0.940 -4.969 0.000) 5.058 10.708 ( -0.940 4.969 0.000) 5.058 10.761 ( 0.866 -1.805 0.000) 2.002 10.761 ( 0.866 1.805 0.000) 2.002 10.808 ( 0.042 -3.908 0.000) 3.908 10.808 ( 0.042 3.908 0.000) 3.908 10.928 ( 2.627 -2.449 0.000) 3.591 10.928 ( 2.627 2.449 0.000) 3.591 10.938 ( 0.925 -1.240 0.000) 1.547 10.938 ( 0.925 1.240 0.000) 1.547 11.004 ( -1.486 -4.741 0.000) 4.968 11.004 ( -1.486 4.741 0.000) 4.968 11.264 ( -7.143 -0.843 0.000) 7.192 11.264 ( -7.143 0.843 0.000) 7.192 ======================= Grid point 14 (9/27) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 3.501 -3.252 0.000) 4.779 0.784 ( 3.501 3.252 0.000) 4.779 0.795 ( 2.308 -4.738 0.000) 5.270 0.795 ( 2.308 4.738 0.000) 5.270 0.945 ( -1.466 -3.326 0.000) 3.635 0.945 ( -1.466 3.326 0.000) 3.635 0.949 ( -1.738 -4.072 0.000) 4.427 0.949 ( -1.738 4.072 0.000) 4.427 1.167 ( 1.839 -2.543 0.000) 3.138 1.167 ( 1.839 2.543 0.000) 3.138 1.168 ( 1.285 -0.899 0.000) 1.568 1.168 ( 1.285 0.899 0.000) 1.568 1.190 ( -0.431 -0.985 0.000) 1.076 1.190 ( -0.431 0.985 0.000) 1.076 1.215 ( -3.016 -2.547 0.000) 3.947 1.215 ( -3.016 2.547 0.000) 3.947 1.265 ( 0.409 -2.706 0.000) 2.737 1.265 ( 0.409 2.706 0.000) 2.737 1.278 ( -0.926 -2.863 0.000) 3.009 1.278 ( -0.926 2.863 0.000) 3.009 1.353 ( 1.438 -3.263 0.000) 3.566 1.353 ( 1.691 -2.917 0.000) 3.371 1.353 ( 1.618 2.997 0.000) 3.406 1.353 ( 1.513 3.182 0.000) 3.523 1.388 ( -0.372 -0.736 0.000) 0.824 1.388 ( -0.372 0.736 0.000) 0.824 1.399 ( -0.882 -1.343 0.000) 1.607 1.399 ( -0.882 1.343 0.000) 1.607 1.467 ( 1.009 -0.774 0.000) 1.271 1.467 ( 1.009 0.774 0.000) 1.271 1.483 ( -0.541 -0.115 0.000) 0.553 1.483 ( -0.541 0.115 0.000) 0.553 1.598 ( 8.032 -7.155 0.000) 10.757 1.598 ( 8.032 7.155 0.000) 10.757 1.718 ( -4.722 -3.776 0.000) 6.046 1.718 ( -4.722 3.776 0.000) 6.046 1.757 ( 9.561 -1.346 0.000) 9.655 1.757 ( 9.561 1.346 0.000) 9.655 1.828 ( 5.511 -2.588 0.000) 6.089 1.828 ( 5.511 2.588 0.000) 6.089 1.897 ( 0.091 -2.507 0.000) 2.509 1.897 ( 0.091 2.507 0.000) 2.509 1.900 ( -2.213 -1.983 0.000) 2.972 1.900 ( -2.213 1.983 0.000) 2.972 2.015 ( -1.999 -0.815 0.000) 2.158 2.015 ( -1.999 0.815 0.000) 2.158 2.020 ( 3.437 -3.360 0.000) 4.806 2.020 ( 3.437 3.360 0.000) 4.806 2.100 ( 1.039 -1.458 0.000) 1.791 2.100 ( 1.039 1.458 0.000) 1.791 2.155 ( -0.785 -2.616 0.000) 2.731 2.155 ( -0.785 2.616 0.000) 2.731 2.230 ( -3.988 -2.674 0.000) 4.802 2.230 ( -3.988 2.674 0.000) 4.802 2.249 ( -6.066 -1.940 0.000) 6.369 2.249 ( -6.066 1.940 0.000) 6.369 2.461 ( 2.180 -3.428 0.000) 4.063 2.461 ( 2.180 3.428 0.000) 4.063 2.491 ( -0.102 -1.571 0.000) 1.574 2.491 ( -0.102 1.571 0.000) 1.574 2.675 ( 5.009 -1.711 0.000) 5.293 2.675 ( 5.009 1.711 0.000) 5.293 2.769 ( -2.727 -4.021 0.000) 4.859 2.769 ( -2.727 4.021 0.000) 4.859 2.860 ( -0.537 -4.581 0.000) 4.612 2.860 ( -0.537 4.581 0.000) 4.612 2.891 ( -2.327 -1.453 0.000) 2.743 2.891 ( -2.327 1.453 0.000) 2.743 3.073 ( -0.984 -3.493 0.000) 3.629 3.073 ( -0.984 3.493 0.000) 3.629 3.083 ( -1.403 -0.947 0.000) 1.693 3.083 ( -1.403 0.947 0.000) 1.693 3.241 ( 1.576 -0.687 0.000) 1.719 3.241 ( 1.576 0.687 0.000) 1.719 3.258 ( -0.539 -2.380 0.000) 2.440 3.258 ( -0.539 2.380 0.000) 2.440 3.302 ( 0.413 -2.777 0.000) 2.808 3.302 ( 0.413 2.777 0.000) 2.808 3.313 ( -0.246 -5.227 0.000) 5.233 3.313 ( -0.246 5.227 0.000) 5.233 3.447 ( 0.193 -0.665 0.000) 0.693 3.447 ( 0.193 0.665 0.000) 0.693 3.455 ( -0.274 -0.706 0.000) 0.758 3.455 ( -0.274 0.706 0.000) 0.758 3.588 ( -0.377 -3.918 0.000) 3.936 3.588 ( -0.377 3.918 0.000) 3.936 3.625 ( -2.469 -1.862 0.000) 3.093 3.625 ( -2.469 1.862 0.000) 3.093 3.775 ( 3.413 -2.218 0.000) 4.071 3.775 ( 3.413 2.218 0.000) 4.071 3.821 ( 0.903 -1.649 0.000) 1.881 3.821 ( 0.903 1.649 0.000) 1.881 3.880 ( 3.818 -0.605 0.000) 3.866 3.880 ( 3.818 0.605 0.000) 3.866 3.943 ( -4.341 -1.647 0.000) 4.643 3.943 ( -4.341 1.647 0.000) 4.643 4.053 ( 0.898 -3.803 0.000) 3.908 4.053 ( 0.898 3.803 0.000) 3.908 4.079 ( -2.693 -0.950 0.000) 2.855 4.079 ( -2.693 0.950 0.000) 2.855 4.196 ( -0.106 -3.090 0.000) 3.091 4.196 ( -0.106 3.090 0.000) 3.091 4.216 ( -2.131 -1.108 0.000) 2.402 4.216 ( -2.131 1.108 0.000) 2.402 4.361 ( 1.887 -2.314 0.000) 2.986 4.361 ( 1.887 2.314 0.000) 2.986 4.412 ( -3.162 -1.428 0.000) 3.469 4.412 ( -3.162 1.428 0.000) 3.469 4.490 ( 2.371 -1.516 0.000) 2.814 4.490 ( 2.371 1.516 0.000) 2.814 4.528 ( -0.762 -1.137 0.000) 1.368 4.528 ( -0.762 1.137 0.000) 1.368 4.735 ( 0.028 -4.414 0.000) 4.414 4.735 ( 0.028 4.414 0.000) 4.414 4.765 ( -2.736 -3.041 0.000) 4.090 4.765 ( -2.736 3.041 0.000) 4.090 4.990 ( 2.498 -4.814 0.000) 5.423 4.990 ( 2.498 4.814 0.000) 5.423 5.017 ( -0.790 -5.372 0.000) 5.430 5.017 ( -0.790 5.372 0.000) 5.430 5.050 ( 2.704 -3.318 0.000) 4.280 5.050 ( 2.704 3.318 0.000) 4.280 5.094 ( -1.869 -1.812 0.000) 2.603 5.094 ( -1.869 1.812 0.000) 2.603 5.436 ( 4.321 -1.458 0.000) 4.561 5.436 ( 4.321 1.458 0.000) 4.561 5.534 ( -6.167 -0.659 0.000) 6.202 5.534 ( -6.167 0.659 0.000) 6.202 5.765 ( 2.311 -2.767 0.000) 3.605 5.765 ( 2.311 2.767 0.000) 3.605 5.783 ( -0.587 -1.928 0.000) 2.016 5.783 ( -0.587 1.928 0.000) 2.016 5.902 ( 1.235 -1.629 0.000) 2.044 5.902 ( 1.235 1.629 0.000) 2.044 5.907 ( 0.127 -1.480 0.000) 1.486 5.907 ( 0.127 1.480 0.000) 1.486 6.345 ( 10.701 -4.581 0.000) 11.640 6.345 ( 10.701 4.581 0.000) 11.640 6.433 ( 0.603 -1.303 0.000) 1.436 6.433 ( 0.603 1.303 0.000) 1.436 6.544 ( 5.856 -3.136 0.000) 6.643 6.544 ( 5.856 3.136 0.000) 6.643 6.565 ( 4.239 -1.727 0.000) 4.577 6.565 ( 4.239 1.727 0.000) 4.577 6.688 ( 16.096 -2.185 0.000) 16.243 6.688 ( 16.096 2.185 0.000) 16.243 6.840 ( 4.819 -1.342 0.000) 5.002 6.840 ( 4.819 1.342 0.000) 5.002 7.078 ( -12.218 -3.566 0.000) 12.728 7.078 ( -12.218 3.566 0.000) 12.728 7.143 ( -12.929 -3.130 0.000) 13.302 7.143 ( -12.929 3.130 0.000) 13.302 8.464 ( 0.110 -0.950 0.000) 0.956 8.464 ( 0.110 0.950 0.000) 0.956 8.466 ( -0.079 -0.917 0.000) 0.920 8.466 ( -0.079 0.917 0.000) 0.920 8.580 ( 0.937 -1.769 0.000) 2.002 8.580 ( 0.937 1.769 0.000) 2.002 8.606 ( -1.982 -2.091 0.000) 2.881 8.606 ( -1.982 2.091 0.000) 2.881 8.909 ( -0.272 -0.300 0.000) 0.405 8.909 ( -0.272 0.300 0.000) 0.405 8.910 ( -0.407 -0.486 0.000) 0.633 8.910 ( -0.407 0.486 0.000) 0.633 8.968 ( 0.737 -0.489 0.000) 0.884 8.968 ( 0.737 0.489 0.000) 0.884 8.977 ( -0.144 -0.662 0.000) 0.677 8.977 ( -0.144 0.662 0.000) 0.677 9.131 ( 3.261 -0.592 0.000) 3.314 9.131 ( 3.261 0.592 0.000) 3.314 9.194 ( -3.497 -0.292 0.000) 3.510 9.194 ( -3.497 0.292 0.000) 3.510 9.519 ( 7.074 -4.642 0.000) 8.461 9.519 ( 7.074 4.642 0.000) 8.461 9.613 ( -3.218 -3.563 0.000) 4.801 9.613 ( -3.218 3.563 0.000) 4.801 9.692 ( 1.757 -1.320 0.000) 2.198 9.692 ( 1.757 1.320 0.000) 2.198 9.739 ( -3.449 -0.542 0.000) 3.492 9.739 ( -3.449 0.542 0.000) 3.492 9.824 ( 5.062 -1.611 0.000) 5.312 9.824 ( 5.062 1.611 0.000) 5.312 9.896 ( -2.572 -2.522 0.000) 3.602 9.896 ( -2.572 2.522 0.000) 3.602 9.959 ( 1.987 -3.078 0.000) 3.664 9.959 ( 1.987 3.078 0.000) 3.664 10.013 ( -3.728 -3.429 0.000) 5.065 10.013 ( -3.728 3.429 0.000) 5.065 10.249 ( 0.982 -1.072 0.000) 1.454 10.249 ( 0.982 1.072 0.000) 1.454 10.279 ( -2.261 -0.717 0.000) 2.372 10.279 ( -2.261 0.717 0.000) 2.372 10.382 ( 2.422 -1.380 0.000) 2.788 10.382 ( 2.422 1.380 0.000) 2.788 10.426 ( -2.223 -2.003 0.000) 2.992 10.426 ( -2.223 2.003 0.000) 2.992 10.528 ( 1.167 -0.491 0.000) 1.266 10.528 ( 1.167 0.491 0.000) 1.266 10.543 ( -0.524 -0.534 0.000) 0.748 10.543 ( -0.524 0.534 0.000) 0.748 10.652 ( 1.879 -5.117 0.000) 5.451 10.652 ( 1.879 5.117 0.000) 5.451 10.684 ( -1.582 -5.227 0.000) 5.462 10.684 ( -1.582 5.227 0.000) 5.462 10.782 ( 1.318 -2.762 0.000) 3.061 10.782 ( 1.318 2.762 0.000) 3.061 10.803 ( -0.770 -4.125 0.000) 4.197 10.803 ( -0.770 4.125 0.000) 4.197 10.950 ( 1.021 -2.588 0.000) 2.782 10.950 ( 1.021 2.588 0.000) 2.782 10.974 ( -1.615 -3.821 0.000) 4.148 10.974 ( -1.615 3.821 0.000) 4.148 11.007 ( 5.437 -2.608 0.000) 6.030 11.007 ( 5.437 2.608 0.000) 6.030 11.125 ( -7.406 -3.137 0.000) 8.043 11.125 ( -7.406 3.137 0.000) 8.043 ======================= Grid point 25 (10/27) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 0.000 0.000 17.718) 17.718 0.428 ( 0.000 0.000 18.910) 18.910 0.761 ( 0.000 0.000 27.662) 27.662 0.924 ( 0.000 0.000 4.443) 4.443 0.942 ( 0.000 0.000 1.305) 1.305 1.007 ( 0.000 0.000 -7.014) 7.014 1.034 ( 0.000 0.000 -0.256) 0.256 1.082 ( 0.000 0.000 -2.280) 2.280 1.084 ( 0.000 0.000 5.123) 5.123 1.116 ( 0.000 0.000 4.211) 4.211 1.143 ( 0.000 0.000 -0.942) 0.942 1.170 ( 0.000 0.000 -0.210) 0.210 1.176 ( 0.000 0.000 1.597) 1.597 1.177 ( 0.000 0.000 0.829) 0.829 1.184 ( 0.000 0.000 1.308) 1.308 1.208 ( 0.000 0.000 0.199) 0.199 1.238 ( 0.000 0.000 2.037) 2.037 1.249 ( 0.000 0.000 -3.071) 3.071 1.259 ( 0.000 0.000 1.489) 1.489 1.274 ( 0.000 0.000 0.599) 0.599 1.296 ( 0.000 0.000 -2.482) 2.482 1.306 ( 0.000 0.000 -2.151) 2.151 1.343 ( 0.000 0.000 -0.522) 0.522 1.347 ( 0.000 0.000 -1.347) 1.347 1.353 ( 0.000 0.000 -1.491) 1.491 1.386 ( 0.000 0.000 -4.565) 4.565 1.391 ( 0.000 0.000 0.166) 0.166 1.406 ( 0.000 0.000 -0.870) 0.870 1.443 ( 0.000 0.000 2.478) 2.478 1.493 ( 0.000 0.000 -5.169) 5.169 1.514 ( 0.000 0.000 1.136) 1.136 1.530 ( 0.000 0.000 0.916) 0.916 1.540 ( 0.000 0.000 1.289) 1.289 1.594 ( 0.000 0.000 0.653) 0.653 1.637 ( 0.000 0.000 2.477) 2.477 1.680 ( 0.000 0.000 -0.404) 0.404 1.709 ( 0.000 0.000 4.699) 4.699 1.729 ( 0.000 0.000 2.446) 2.446 1.732 ( 0.000 0.000 1.169) 1.169 1.775 ( 0.000 0.000 -5.988) 5.988 1.854 ( 0.000 0.000 3.863) 3.863 1.883 ( 0.000 0.000 -3.430) 3.430 1.892 ( 0.000 0.000 -2.984) 2.984 1.915 ( 0.000 0.000 -0.604) 0.604 2.021 ( 0.000 0.000 5.335) 5.335 2.022 ( 0.000 0.000 4.822) 4.822 2.105 ( 0.000 0.000 2.135) 2.135 2.111 ( 0.000 0.000 1.955) 1.955 2.147 ( 0.000 0.000 3.746) 3.746 2.174 ( 0.000 0.000 6.102) 6.102 2.195 ( 0.000 0.000 -5.222) 5.222 2.203 ( 0.000 0.000 -5.509) 5.509 2.265 ( 0.000 0.000 0.165) 0.165 2.315 ( 0.000 0.000 -0.546) 0.546 2.320 ( 0.000 0.000 0.094) 0.094 2.340 ( 0.000 0.000 0.688) 0.688 2.371 ( 0.000 0.000 -1.416) 1.416 2.478 ( 0.000 0.000 -4.452) 4.452 2.538 ( 0.000 0.000 5.555) 5.555 2.550 ( 0.000 0.000 3.744) 3.744 2.557 ( 0.000 0.000 -2.782) 2.782 2.643 ( 0.000 0.000 -6.999) 6.999 2.761 ( 0.000 0.000 0.887) 0.887 2.792 ( 0.000 0.000 -6.574) 6.574 2.833 ( 0.000 0.000 2.368) 2.368 2.834 ( 0.000 0.000 -0.294) 0.294 2.848 ( 0.000 0.000 -7.683) 7.683 2.872 ( 0.000 0.000 -4.150) 4.150 2.963 ( 0.000 0.000 -4.082) 4.082 3.014 ( 0.000 0.000 -3.616) 3.616 3.045 ( 0.000 0.000 2.057) 2.057 3.063 ( 0.000 0.000 0.613) 0.613 3.161 ( 0.000 0.000 5.912) 5.912 3.203 ( 0.000 0.000 6.282) 6.282 3.245 ( 0.000 0.000 -1.162) 1.162 3.286 ( 0.000 0.000 2.663) 2.663 3.320 ( 0.000 0.000 -7.666) 7.666 3.361 ( 0.000 0.000 -1.257) 1.257 3.381 ( 0.000 0.000 -0.846) 0.846 3.387 ( 0.000 0.000 0.474) 0.474 3.393 ( 0.000 0.000 -1.946) 1.946 3.452 ( 0.000 0.000 0.623) 0.623 3.459 ( 0.000 0.000 6.126) 6.126 3.468 ( 0.000 0.000 0.464) 0.464 3.539 ( 0.000 0.000 2.557) 2.557 3.567 ( 0.000 0.000 6.696) 6.696 3.637 ( 0.000 0.000 4.327) 4.327 3.664 ( 0.000 0.000 1.998) 1.998 3.753 ( 0.000 0.000 -0.558) 0.558 3.787 ( 0.000 0.000 -1.171) 1.171 3.830 ( 0.000 0.000 -1.107) 1.107 3.882 ( 0.000 0.000 1.670) 1.670 3.892 ( 0.000 0.000 2.961) 2.961 3.915 ( 0.000 0.000 -1.424) 1.424 3.917 ( 0.000 0.000 -1.460) 1.460 3.973 ( 0.000 0.000 -1.920) 1.920 4.031 ( 0.000 0.000 -6.591) 6.591 4.050 ( 0.000 0.000 2.548) 2.548 4.113 ( 0.000 0.000 -4.659) 4.659 4.159 ( 0.000 0.000 -0.358) 0.358 4.194 ( 0.000 0.000 0.054) 0.054 4.254 ( 0.000 0.000 1.604) 1.604 4.274 ( 0.000 0.000 0.919) 0.919 4.371 ( 0.000 0.000 -2.278) 2.278 4.391 ( 0.000 0.000 10.760) 10.760 4.411 ( 0.000 0.000 4.427) 4.427 4.455 ( 0.000 0.000 12.713) 12.713 4.522 ( 0.000 0.000 11.045) 11.045 4.539 ( 0.000 0.000 -1.271) 1.271 4.596 ( 0.000 0.000 2.176) 2.176 4.663 ( 0.000 0.000 4.602) 4.602 4.725 ( 0.000 0.000 -1.695) 1.695 4.752 ( 0.000 0.000 12.862) 12.862 4.761 ( 0.000 0.000 3.108) 3.108 4.806 ( 0.000 0.000 -1.477) 1.477 4.823 ( 0.000 0.000 -1.700) 1.700 4.928 ( 0.000 0.000 -4.221) 4.221 4.993 ( 0.000 0.000 7.011) 7.011 4.997 ( 0.000 0.000 -4.716) 4.716 5.156 ( 0.000 0.000 0.173) 0.173 5.216 ( 0.000 0.000 11.023) 11.023 5.243 ( 0.000 0.000 4.016) 4.016 5.246 ( 0.000 0.000 -4.908) 4.908 5.261 ( 0.000 0.000 -3.927) 3.927 5.298 ( 0.000 0.000 6.591) 6.591 5.306 ( 0.000 0.000 -6.349) 6.349 5.416 ( 0.000 0.000 5.709) 5.709 5.444 ( 0.000 0.000 -12.542) 12.542 5.530 ( 0.000 0.000 -0.137) 0.137 5.541 ( 0.000 0.000 -5.780) 5.780 5.593 ( 0.000 0.000 -12.367) 12.367 5.688 ( 0.000 0.000 -3.663) 3.663 5.802 ( 0.000 0.000 -8.727) 8.727 5.856 ( 0.000 0.000 -9.834) 9.834 5.938 ( 0.000 0.000 2.917) 2.917 5.996 ( 0.000 0.000 2.842) 2.842 6.007 ( 0.000 0.000 3.616) 3.616 6.049 ( 0.000 0.000 2.118) 2.118 6.054 ( 0.000 0.000 -2.080) 2.080 6.215 ( 0.000 0.000 -4.262) 4.262 6.273 ( 0.000 0.000 -0.077) 0.077 6.347 ( 0.000 0.000 0.333) 0.333 6.393 ( 0.000 0.000 -5.322) 5.322 6.440 ( 0.000 0.000 -4.461) 4.461 6.627 ( 0.000 0.000 4.999) 4.999 6.639 ( 0.000 0.000 4.248) 4.248 6.789 ( 0.000 0.000 -2.453) 2.453 6.791 ( 0.000 0.000 -2.426) 2.426 7.292 ( 0.000 0.000 0.479) 0.479 7.319 ( 0.000 0.000 -0.496) 0.496 7.391 ( 0.000 0.000 -0.095) 0.095 7.411 ( 0.000 0.000 -0.859) 0.859 8.467 ( 0.000 0.000 -0.283) 0.283 8.487 ( 0.000 0.000 0.662) 0.662 8.493 ( 0.000 0.000 -1.399) 1.399 8.531 ( 0.000 0.000 -1.037) 1.037 8.534 ( 0.000 0.000 0.600) 0.600 8.550 ( 0.000 0.000 0.982) 0.982 8.572 ( 0.000 0.000 -0.137) 0.137 8.573 ( 0.000 0.000 -0.840) 0.840 8.870 ( 0.000 0.000 1.289) 1.289 8.883 ( 0.000 0.000 0.198) 0.198 8.908 ( 0.000 0.000 -0.214) 0.214 8.917 ( 0.000 0.000 -0.007) 0.007 8.923 ( 0.000 0.000 0.045) 0.045 8.929 ( 0.000 0.000 -0.429) 0.429 9.011 ( 0.000 0.000 1.119) 1.119 9.024 ( 0.000 0.000 -0.347) 0.347 9.118 ( 0.000 0.000 3.144) 3.144 9.248 ( 0.000 0.000 -0.338) 0.338 9.251 ( 0.000 0.000 0.311) 0.311 9.260 ( 0.000 0.000 -1.465) 1.465 9.368 ( 0.000 0.000 4.995) 4.995 9.381 ( 0.000 0.000 3.538) 3.538 9.570 ( 0.000 0.000 -3.815) 3.815 9.655 ( 0.000 0.000 2.659) 2.659 9.662 ( 0.000 0.000 -5.811) 5.811 9.671 ( 0.000 0.000 4.473) 4.473 9.764 ( 0.000 0.000 2.399) 2.399 9.764 ( 0.000 0.000 -0.388) 0.388 9.815 ( 0.000 0.000 -0.897) 0.897 9.830 ( 0.000 0.000 -2.063) 2.063 9.853 ( 0.000 0.000 0.883) 0.883 9.981 ( 0.000 0.000 -5.267) 5.267 9.988 ( 0.000 0.000 -5.779) 5.779 10.033 ( 0.000 0.000 -2.389) 2.389 10.079 ( 0.000 0.000 0.854) 0.854 10.145 ( 0.000 0.000 -2.920) 2.920 10.205 ( 0.000 0.000 1.097) 1.097 10.257 ( 0.000 0.000 -0.565) 0.565 10.272 ( 0.000 0.000 -1.710) 1.710 10.305 ( 0.000 0.000 -3.339) 3.339 10.323 ( 0.000 0.000 3.840) 3.840 10.429 ( 0.000 0.000 -1.447) 1.447 10.450 ( 0.000 0.000 2.769) 2.769 10.477 ( 0.000 0.000 3.821) 3.821 10.504 ( 0.000 0.000 0.976) 0.976 10.511 ( 0.000 0.000 -0.351) 0.351 10.544 ( 0.000 0.000 1.349) 1.349 10.586 ( 0.000 0.000 0.909) 0.909 10.600 ( 0.000 0.000 -1.743) 1.743 10.630 ( 0.000 0.000 -2.791) 2.791 10.639 ( 0.000 0.000 0.166) 0.166 10.652 ( 0.000 0.000 -0.365) 0.365 10.721 ( 0.000 0.000 0.086) 0.086 10.738 ( 0.000 0.000 0.014) 0.014 10.741 ( 0.000 0.000 0.925) 0.925 10.777 ( 0.000 0.000 0.923) 0.923 10.884 ( 0.000 0.000 1.741) 1.741 10.899 ( 0.000 0.000 0.296) 0.296 10.924 ( 0.000 0.000 -1.296) 1.296 10.932 ( 0.000 0.000 1.854) 1.854 10.944 ( 0.000 0.000 0.164) 0.164 10.978 ( 0.000 0.000 0.365) 0.365 11.212 ( 0.000 0.000 -1.123) 1.123 11.212 ( 0.000 0.000 -1.161) 1.161 ======================= Grid point 26 (11/27) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 11.381 0.000 12.498) 16.904 0.577 ( 11.869 0.000 12.783) 17.443 0.857 ( 6.835 0.000 13.266) 14.923 0.922 ( -0.056 0.000 3.673) 3.673 0.938 ( -1.509 0.000 3.898) 4.179 1.002 ( 0.180 0.000 -0.609) 0.635 1.031 ( 0.207 0.000 -3.788) 3.794 1.057 ( -0.871 0.000 -4.545) 4.628 1.118 ( -2.123 0.000 -2.155) 3.025 1.129 ( 1.159 0.000 1.768) 2.114 1.139 ( 6.491 0.000 9.204) 11.263 1.160 ( -0.890 0.000 1.906) 2.103 1.181 ( 0.692 0.000 0.348) 0.775 1.190 ( -0.846 0.000 -0.803) 1.167 1.201 ( 0.290 0.000 -0.163) 0.332 1.210 ( 0.318 0.000 3.757) 3.770 1.227 ( -1.089 0.000 -0.699) 1.294 1.242 ( -1.097 0.000 0.359) 1.154 1.274 ( -0.524 0.000 -2.122) 2.186 1.275 ( 2.333 0.000 0.305) 2.353 1.315 ( 0.998 0.000 0.695) 1.216 1.332 ( 0.407 0.000 -2.538) 2.570 1.333 ( 4.817 0.000 1.022) 4.924 1.345 ( 0.881 0.000 -1.235) 1.517 1.381 ( 1.444 0.000 1.142) 1.842 1.405 ( 1.835 0.000 -0.238) 1.851 1.405 ( 1.493 0.000 -1.175) 1.900 1.444 ( 0.035 0.000 1.501) 1.502 1.453 ( 3.616 0.000 -3.615) 5.113 1.497 ( -2.856 0.000 1.121) 3.068 1.511 ( -1.308 0.000 -0.337) 1.351 1.552 ( 5.234 0.000 -5.674) 7.719 1.562 ( 1.827 0.000 1.363) 2.280 1.595 ( 2.401 0.000 0.455) 2.444 1.640 ( 0.194 0.000 4.327) 4.331 1.711 ( -1.044 0.000 3.333) 3.493 1.711 ( 2.985 0.000 -0.664) 3.058 1.733 ( 3.138 0.000 4.394) 5.399 1.779 ( 3.605 0.000 1.902) 4.075 1.815 ( 2.102 0.000 -4.350) 4.831 1.843 ( 0.758 0.000 7.539) 7.577 1.875 ( -1.689 0.000 -1.763) 2.442 1.892 ( 1.289 0.000 -3.817) 4.029 1.908 ( 1.196 0.000 -3.021) 3.249 1.964 ( -6.041 0.000 4.462) 7.510 2.024 ( 0.312 0.000 4.479) 4.490 2.051 ( -3.937 0.000 1.908) 4.375 2.127 ( 1.398 0.000 0.906) 1.665 2.130 ( -1.659 0.000 3.579) 3.945 2.181 ( -3.536 0.000 1.957) 4.041 2.200 ( 0.358 0.000 -5.041) 5.054 2.213 ( -0.116 0.000 -2.817) 2.819 2.242 ( -2.193 0.000 -0.277) 2.211 2.298 ( 1.197 0.000 1.615) 2.010 2.302 ( -2.738 0.000 0.298) 2.754 2.332 ( -2.382 0.000 -0.024) 2.382 2.354 ( -0.737 0.000 -0.352) 0.816 2.454 ( -2.358 0.000 -5.423) 5.913 2.534 ( 2.345 0.000 1.396) 2.729 2.544 ( -0.933 0.000 1.551) 1.811 2.553 ( -1.926 0.000 3.904) 4.353 2.645 ( 0.602 0.000 -2.646) 2.713 2.693 ( -4.336 0.000 -1.211) 4.502 2.773 ( 0.756 0.000 0.385) 0.848 2.831 ( -0.503 0.000 1.834) 1.902 2.894 ( 1.654 0.000 0.985) 1.925 2.899 ( 3.163 0.000 -4.001) 5.100 2.932 ( 6.506 0.000 -9.003) 11.108 3.006 ( 4.370 0.000 -4.368) 6.179 3.016 ( 0.405 0.000 -6.004) 6.018 3.063 ( 0.081 0.000 0.720) 0.725 3.066 ( 1.373 0.000 2.389) 2.756 3.164 ( 0.740 0.000 3.276) 3.358 3.168 ( -2.620 0.000 3.968) 4.755 3.267 ( 2.250 0.000 0.533) 2.313 3.272 ( -1.147 0.000 -3.421) 3.608 3.323 ( 0.650 0.000 3.239) 3.303 3.353 ( -1.066 0.000 0.710) 1.281 3.381 ( -4.074 0.000 1.504) 4.343 3.394 ( -0.052 0.000 -3.436) 3.436 3.410 ( 0.629 0.000 0.609) 0.876 3.415 ( 2.659 0.000 -0.587) 2.723 3.439 ( -0.664 0.000 3.852) 3.908 3.486 ( 2.930 0.000 0.165) 2.934 3.567 ( 0.843 0.000 3.883) 3.973 3.601 ( -3.918 0.000 2.277) 4.532 3.631 ( 0.687 0.000 4.825) 4.874 3.649 ( 4.765 0.000 2.417) 5.343 3.723 ( -4.291 0.000 -2.538) 4.985 3.766 ( -2.728 0.000 0.294) 2.744 3.767 ( -1.974 0.000 -1.998) 2.808 3.855 ( -5.576 0.000 -1.897) 5.890 3.877 ( -4.341 0.000 4.873) 6.526 3.920 ( -1.391 0.000 -2.465) 2.831 3.924 ( 0.427 0.000 -2.337) 2.375 3.974 ( 5.165 0.000 3.844) 6.438 3.978 ( -2.694 0.000 -3.587) 4.486 4.023 ( -1.504 0.000 4.089) 4.357 4.139 ( -1.502 0.000 0.945) 1.775 4.194 ( -0.773 0.000 2.160) 2.294 4.196 ( 6.259 0.000 -5.020) 8.023 4.249 ( -1.487 0.000 2.348) 2.779 4.285 ( -1.335 0.000 0.379) 1.388 4.346 ( 0.415 0.000 -2.863) 2.893 4.368 ( -0.478 0.000 9.057) 9.070 4.443 ( 2.129 0.000 2.504) 3.287 4.443 ( -1.294 0.000 13.316) 13.379 4.511 ( -1.251 0.000 8.640) 8.730 4.521 ( -1.523 0.000 4.183) 4.452 4.600 ( 0.392 0.000 2.397) 2.429 4.636 ( -2.618 0.000 3.577) 4.433 4.714 ( -1.566 0.000 -0.688) 1.711 4.722 ( -2.975 0.000 11.801) 12.171 4.750 ( -4.718 0.000 2.640) 5.406 4.802 ( 0.356 0.000 -1.715) 1.751 4.832 ( 1.556 0.000 -0.066) 1.557 4.890 ( 0.569 0.000 8.210) 8.230 4.918 ( -1.549 0.000 -3.265) 3.613 5.038 ( -1.345 0.000 13.441) 13.508 5.063 ( 0.428 0.000 -1.811) 1.861 5.152 ( -1.630 0.000 0.763) 1.800 5.174 ( -0.399 0.000 -6.274) 6.287 5.241 ( 1.048 0.000 3.962) 4.098 5.279 ( 0.412 0.000 -5.648) 5.663 5.308 ( -0.407 0.000 6.673) 6.686 5.396 ( -4.855 0.000 5.158) 7.083 5.418 ( -0.399 0.000 -10.765) 10.773 5.468 ( 9.139 0.000 -7.233) 11.655 5.536 ( -5.479 0.000 -7.638) 9.400 5.643 ( 4.552 0.000 -7.650) 8.902 5.671 ( -1.040 0.000 -9.693) 9.749 5.723 ( -2.160 0.000 -8.126) 8.408 5.738 ( 19.273 0.000 2.579) 19.445 5.926 ( 0.719 0.000 1.581) 1.737 5.940 ( 1.378 0.000 -5.044) 5.229 5.982 ( -0.840 0.000 3.081) 3.194 6.025 ( 4.821 0.000 3.142) 5.755 6.122 ( 10.246 0.000 -3.000) 10.676 6.259 ( 6.219 0.000 -0.334) 6.228 6.348 ( 8.233 0.000 -3.903) 9.111 6.367 ( 11.154 0.000 -9.692) 14.776 6.391 ( 0.947 0.000 -4.857) 4.948 6.458 ( 8.599 0.000 0.532) 8.616 6.544 ( 5.372 0.000 -4.879) 7.256 6.632 ( 6.389 0.000 2.734) 6.950 6.655 ( 2.746 0.000 3.369) 4.346 6.769 ( 0.164 0.000 -2.123) 2.130 6.797 ( -0.137 0.000 -2.371) 2.375 7.210 ( -8.381 0.000 1.218) 8.469 7.252 ( -7.592 0.000 -0.348) 7.600 7.353 ( -5.208 0.000 -0.699) 5.255 7.368 ( -5.155 0.000 -1.262) 5.307 8.467 ( 0.027 0.000 -0.282) 0.284 8.479 ( -0.550 0.000 -0.112) 0.561 8.492 ( -0.388 0.000 -0.159) 0.420 8.513 ( -1.574 0.000 -0.530) 1.661 8.520 ( -0.323 0.000 1.681) 1.711 8.553 ( -0.412 0.000 0.032) 0.413 8.573 ( 0.420 0.000 -0.956) 1.045 8.583 ( 0.466 0.000 -0.645) 0.796 8.871 ( 0.295 0.000 1.064) 1.104 8.879 ( -0.115 0.000 0.387) 0.404 8.912 ( -0.556 0.000 0.012) 0.556 8.917 ( -0.655 0.000 -0.012) 0.656 8.930 ( 1.820 0.000 -0.489) 1.885 8.940 ( 1.162 0.000 -0.312) 1.204 9.006 ( -0.514 0.000 1.413) 1.504 9.020 ( -0.571 0.000 -0.195) 0.603 9.142 ( 2.420 0.000 3.821) 4.523 9.173 ( -1.324 0.000 4.661) 4.845 9.272 ( 1.180 0.000 1.336) 1.783 9.303 ( -2.676 0.000 5.988) 6.559 9.356 ( 0.025 0.000 3.752) 3.752 9.430 ( 6.686 0.000 -7.174) 9.807 9.580 ( -0.883 0.000 -4.063) 4.158 9.643 ( 0.715 0.000 -2.100) 2.219 9.662 ( 0.655 0.000 2.927) 3.000 9.679 ( -0.181 0.000 -1.531) 1.542 9.746 ( -0.973 0.000 0.144) 0.984 9.784 ( 1.424 0.000 1.915) 2.386 9.828 ( 0.079 0.000 -1.207) 1.210 9.841 ( 1.392 0.000 -1.195) 1.835 9.863 ( -1.423 0.000 1.612) 2.150 9.891 ( -5.652 0.000 -2.983) 6.391 9.971 ( -0.629 0.000 -3.467) 3.523 10.006 ( -2.849 0.000 -2.366) 3.703 10.051 ( -3.488 0.000 -0.150) 3.491 10.097 ( -5.503 0.000 -1.002) 5.594 10.161 ( 3.129 0.000 0.128) 3.131 10.241 ( 0.032 0.000 -3.256) 3.256 10.290 ( 0.134 0.000 0.710) 0.723 10.313 ( 0.112 0.000 -1.849) 1.852 10.406 ( 3.406 0.000 2.632) 4.305 10.426 ( -0.754 0.000 1.945) 2.087 10.458 ( -1.146 0.000 2.341) 2.606 10.480 ( 3.603 0.000 0.009) 3.603 10.516 ( 0.437 0.000 -0.607) 0.748 10.540 ( 2.294 0.000 0.656) 2.386 10.546 ( -0.089 0.000 -1.468) 1.471 10.590 ( -0.046 0.000 -3.707) 3.707 10.597 ( 0.787 0.000 1.539) 1.729 10.636 ( -0.988 0.000 -0.154) 1.000 10.642 ( 0.201 0.000 0.489) 0.528 10.699 ( 1.280 0.000 -2.071) 2.435 10.714 ( -0.573 0.000 0.189) 0.603 10.736 ( 1.871 0.000 -1.386) 2.329 10.743 ( 0.032 0.000 1.059) 1.060 10.796 ( 1.489 0.000 -0.671) 1.633 10.881 ( -0.820 0.000 0.567) 0.997 10.886 ( 0.531 0.000 0.857) 1.008 10.917 ( -0.633 0.000 1.766) 1.876 10.939 ( 0.320 0.000 -0.145) 0.351 10.987 ( 1.494 0.000 0.571) 1.599 10.994 ( 3.650 0.000 -0.114) 3.652 11.181 ( -3.250 0.000 -0.845) 3.358 11.191 ( -2.239 0.000 -1.217) 2.548 ======================= Grid point 27 (12/27) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 12.547 0.000 6.405) 14.087 0.766 ( 8.256 0.000 7.577) 11.206 0.876 ( -4.222 0.000 3.411) 5.428 0.924 ( 2.139 0.000 3.233) 3.876 0.941 ( -8.485 0.000 1.867) 8.688 0.946 ( 0.387 0.000 5.154) 5.168 1.030 ( 2.320 0.000 -0.801) 2.454 1.078 ( 0.968 0.000 -5.235) 5.323 1.088 ( -3.918 0.000 -0.153) 3.921 1.090 ( -0.763 0.000 -3.583) 3.664 1.169 ( -0.427 0.000 -2.204) 2.245 1.175 ( 1.405 0.000 1.302) 1.915 1.176 ( -1.148 0.000 -1.953) 2.265 1.184 ( 0.425 0.000 1.344) 1.409 1.209 ( 0.907 0.000 -0.195) 0.928 1.220 ( -0.330 0.000 0.398) 0.517 1.224 ( -0.195 0.000 0.111) 0.224 1.252 ( -2.168 0.000 0.795) 2.309 1.289 ( 1.509 0.000 -1.804) 2.352 1.316 ( -1.395 0.000 -1.875) 2.337 1.363 ( 7.068 0.000 2.073) 7.366 1.364 ( 0.924 0.000 0.698) 1.159 1.381 ( -0.670 0.000 2.315) 2.410 1.399 ( 4.782 0.000 3.958) 6.207 1.410 ( 4.623 0.000 0.208) 4.627 1.424 ( 0.186 0.000 0.418) 0.458 1.447 ( -2.205 0.000 0.629) 2.293 1.447 ( 2.389 0.000 -0.806) 2.521 1.474 ( -1.902 0.000 -1.972) 2.740 1.478 ( -1.638 0.000 0.180) 1.648 1.518 ( 7.154 0.000 -3.034) 7.771 1.566 ( 1.864 0.000 3.865) 4.291 1.613 ( -0.913 0.000 -4.716) 4.804 1.638 ( -0.899 0.000 2.586) 2.738 1.679 ( 2.030 0.000 4.004) 4.489 1.768 ( 9.257 0.000 3.175) 9.787 1.773 ( 3.025 0.000 -2.008) 3.631 1.791 ( 0.223 0.000 0.652) 0.689 1.803 ( -5.431 0.000 5.454) 7.697 1.807 ( -1.917 0.000 -2.545) 3.186 1.838 ( -2.420 0.000 0.993) 2.615 1.856 ( 6.276 0.000 3.703) 7.287 1.897 ( 0.575 0.000 8.111) 8.131 1.944 ( 5.195 0.000 -3.461) 6.242 1.982 ( -0.545 0.000 0.449) 0.706 2.007 ( 5.767 0.000 -2.935) 6.471 2.020 ( -1.784 0.000 0.672) 1.906 2.047 ( -10.519 0.000 2.809) 10.887 2.080 ( -3.183 0.000 0.535) 3.228 2.101 ( -8.928 0.000 1.884) 9.125 2.161 ( 1.934 0.000 1.527) 2.464 2.197 ( -1.144 0.000 -1.206) 1.663 2.246 ( -0.902 0.000 0.564) 1.064 2.254 ( 1.599 0.000 -2.445) 2.921 2.289 ( -3.422 0.000 -0.925) 3.545 2.292 ( -2.712 0.000 -1.772) 3.239 2.383 ( 4.802 0.000 4.185) 6.370 2.443 ( 2.090 0.000 -4.613) 5.064 2.474 ( -4.994 0.000 2.744) 5.698 2.503 ( -3.420 0.000 -3.429) 4.843 2.616 ( 3.196 0.000 1.199) 3.413 2.648 ( -1.300 0.000 -0.271) 1.328 2.686 ( 4.187 0.000 3.713) 5.596 2.779 ( -5.051 0.000 4.913) 7.047 2.819 ( 4.414 0.000 1.976) 4.836 2.889 ( -2.174 0.000 1.071) 2.423 2.974 ( 4.429 0.000 -5.416) 6.997 3.013 ( 1.194 0.000 -10.043) 10.114 3.033 ( 1.476 0.000 -5.690) 5.879 3.053 ( 0.963 0.000 1.320) 1.634 3.069 ( -1.394 0.000 1.617) 2.135 3.075 ( -0.798 0.000 2.482) 2.607 3.163 ( 4.015 0.000 0.458) 4.041 3.201 ( 3.165 0.000 -0.035) 3.165 3.247 ( -1.345 0.000 -1.476) 1.997 3.265 ( -6.149 0.000 3.828) 7.244 3.314 ( 2.222 0.000 1.274) 2.562 3.346 ( -1.340 0.000 -0.330) 1.379 3.369 ( 1.858 0.000 1.285) 2.260 3.385 ( -0.334 0.000 2.526) 2.548 3.418 ( 1.449 0.000 -2.616) 2.990 3.449 ( 2.843 0.000 0.066) 2.844 3.465 ( -1.044 0.000 -0.339) 1.097 3.504 ( -2.651 0.000 0.153) 2.655 3.570 ( 2.064 0.000 -0.999) 2.293 3.588 ( 3.681 0.000 4.952) 6.170 3.637 ( -4.637 0.000 -0.081) 4.638 3.647 ( -0.786 0.000 4.890) 4.952 3.694 ( 2.219 0.000 -0.260) 2.234 3.729 ( -1.907 0.000 -3.446) 3.939 3.749 ( -4.404 0.000 -3.694) 5.748 3.772 ( -3.604 0.000 1.159) 3.786 3.811 ( 3.900 0.000 1.305) 4.113 3.892 ( -0.534 0.000 -0.720) 0.896 3.900 ( -3.936 0.000 -1.000) 4.061 3.922 ( -3.148 0.000 0.062) 3.149 4.045 ( 3.294 0.000 3.157) 4.562 4.062 ( 2.984 0.000 2.208) 3.712 4.149 ( 2.728 0.000 -0.400) 2.758 4.167 ( -1.545 0.000 3.055) 3.423 4.190 ( -3.533 0.000 4.514) 5.732 4.219 ( -4.475 0.000 -0.723) 4.533 4.302 ( 4.944 0.000 -4.750) 6.856 4.359 ( -0.935 0.000 -3.738) 3.853 4.393 ( 1.707 0.000 10.883) 11.016 4.417 ( -1.346 0.000 12.516) 12.588 4.487 ( -0.202 0.000 6.012) 6.016 4.488 ( 3.236 0.000 1.478) 3.558 4.502 ( -1.081 0.000 7.566) 7.643 4.560 ( -4.263 0.000 2.380) 4.883 4.632 ( 1.971 0.000 1.527) 2.494 4.674 ( -2.414 0.000 1.274) 2.729 4.674 ( -1.261 0.000 7.084) 7.195 4.684 ( -2.231 0.000 4.974) 5.452 4.828 ( 2.247 0.000 -1.842) 2.906 4.875 ( -2.743 0.000 -2.407) 3.649 4.879 ( 2.945 0.000 4.267) 5.185 4.917 ( -0.405 0.000 4.894) 4.911 5.018 ( 0.703 0.000 6.009) 6.050 5.054 ( -2.430 0.000 -0.608) 2.505 5.183 ( 4.628 0.000 1.735) 4.942 5.226 ( 5.249 0.000 -8.418) 9.920 5.262 ( -2.132 0.000 5.912) 6.285 5.285 ( 0.684 0.000 5.749) 5.790 5.316 ( 1.270 0.000 -6.177) 6.307 5.325 ( -2.873 0.000 5.949) 6.606 5.344 ( -3.355 0.000 -9.695) 10.259 5.418 ( -6.134 0.000 -4.955) 7.885 5.626 ( 3.370 0.000 -7.149) 7.903 5.649 ( -0.775 0.000 -8.835) 8.868 5.662 ( 2.318 0.000 -11.167) 11.405 5.718 ( -1.484 0.000 -8.472) 8.601 5.923 ( 2.469 0.000 0.405) 2.502 5.933 ( 0.451 0.000 -0.935) 1.038 5.938 ( 0.190 0.000 1.167) 1.182 5.959 ( -1.830 0.000 -0.236) 1.845 6.269 ( 15.913 0.000 1.994) 16.038 6.396 ( 8.123 0.000 -1.981) 8.361 6.411 ( -0.671 0.000 -2.200) 2.300 6.418 ( 14.420 0.000 -1.732) 14.523 6.455 ( 2.260 0.000 -2.863) 3.648 6.470 ( 2.550 0.000 -3.769) 4.550 6.519 ( -3.650 0.000 -0.048) 3.650 6.539 ( -1.073 0.000 -0.635) 1.247 6.738 ( 10.616 0.000 2.231) 10.848 6.820 ( 5.444 0.000 -1.298) 5.596 6.911 ( 15.846 0.000 -3.185) 16.162 6.913 ( 15.950 0.000 -1.349) 16.007 7.000 ( -14.204 0.000 1.517) 14.284 7.042 ( -14.945 0.000 -0.232) 14.947 7.185 ( -12.973 0.000 -1.276) 13.035 7.203 ( -13.358 0.000 -1.583) 13.451 8.470 ( 0.434 0.000 -0.257) 0.504 8.474 ( 0.104 0.000 -0.244) 0.265 8.482 ( -0.645 0.000 -0.150) 0.662 8.485 ( -1.242 0.000 -0.266) 1.270 8.524 ( 0.624 0.000 1.400) 1.533 8.539 ( -0.926 0.000 0.675) 1.146 8.582 ( 0.430 0.000 -1.068) 1.151 8.587 ( -0.039 0.000 -0.955) 0.955 8.882 ( 0.555 0.000 0.520) 0.760 8.883 ( 0.908 0.000 0.543) 1.058 8.897 ( -0.968 0.000 0.329) 1.023 8.901 ( -1.043 0.000 0.090) 1.047 8.965 ( 1.824 0.000 -0.040) 1.825 8.968 ( 1.821 0.000 -0.057) 1.822 8.992 ( -1.104 0.000 0.977) 1.474 9.000 ( -1.594 0.000 0.028) 1.594 9.189 ( 2.372 0.000 5.213) 5.727 9.196 ( 3.215 0.000 4.843) 5.813 9.243 ( -3.373 0.000 5.264) 6.252 9.252 ( -2.730 0.000 4.751) 5.479 9.412 ( 5.213 0.000 -0.487) 5.236 9.513 ( -5.369 0.000 -2.077) 5.757 9.554 ( 6.587 0.000 -7.528) 10.003 9.649 ( -2.787 0.000 -7.070) 7.599 9.677 ( 1.897 0.000 1.569) 2.462 9.702 ( 2.202 0.000 -0.495) 2.257 9.728 ( -1.025 0.000 -0.345) 1.081 9.739 ( -5.604 0.000 0.306) 5.612 9.833 ( 4.456 0.000 1.692) 4.766 9.841 ( 0.360 0.000 0.380) 0.523 9.858 ( -1.493 0.000 1.881) 2.402 9.882 ( 2.698 0.000 -0.611) 2.766 9.939 ( -4.123 0.000 -1.591) 4.419 9.978 ( -6.329 0.000 -0.230) 6.333 9.984 ( 1.563 0.000 -4.327) 4.601 10.012 ( -1.517 0.000 -3.255) 3.591 10.223 ( 3.263 0.000 0.363) 3.283 10.263 ( 1.848 0.000 -2.702) 3.273 10.273 ( -2.023 0.000 1.318) 2.414 10.297 ( -1.667 0.000 -1.592) 2.305 10.425 ( 0.479 0.000 1.335) 1.418 10.438 ( -0.943 0.000 1.170) 1.503 10.456 ( 2.503 0.000 0.254) 2.515 10.499 ( -2.145 0.000 -1.655) 2.709 10.547 ( 3.178 0.000 1.342) 3.449 10.567 ( 2.323 0.000 -0.507) 2.378 10.570 ( 0.686 0.000 1.297) 1.467 10.600 ( -0.289 0.000 -0.060) 0.295 10.607 ( 0.573 0.000 0.029) 0.573 10.622 ( 0.691 0.000 -1.274) 1.450 10.631 ( -1.615 0.000 -0.088) 1.617 10.666 ( -2.950 0.000 -0.642) 3.019 10.714 ( 0.830 0.000 1.185) 1.447 10.734 ( -1.027 0.000 1.443) 1.771 10.789 ( 2.333 0.000 -2.371) 3.326 10.812 ( -0.117 0.000 -2.069) 2.072 10.884 ( 0.905 0.000 1.121) 1.441 10.903 ( -0.987 0.000 1.528) 1.820 10.904 ( 1.249 0.000 0.622) 1.395 10.927 ( -1.208 0.000 0.501) 1.308 11.034 ( 3.439 0.000 0.740) 3.518 11.065 ( 4.032 0.000 -0.766) 4.104 11.107 ( -4.414 0.000 -0.019) 4.414 11.136 ( -3.643 0.000 -1.179) 3.829 ======================= Grid point 30 (13/27) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 0.000 10.229 13.138) 16.651 0.561 ( 0.000 12.020 11.487) 16.626 0.870 ( 0.000 6.356 11.127) 12.815 0.876 ( 0.000 -3.612 5.425) 6.517 0.954 ( 0.000 0.749 5.478) 5.529 1.004 ( 0.000 -1.273 -0.764) 1.485 1.022 ( 0.000 0.778 -3.140) 3.235 1.066 ( 0.000 -1.719 -0.824) 1.906 1.102 ( 0.000 4.423 8.914) 9.952 1.121 ( 0.000 -0.082 -0.211) 0.226 1.143 ( 0.000 -0.511 -1.845) 1.914 1.148 ( 0.000 -0.088 0.469) 0.477 1.153 ( 0.000 -0.736 0.668) 0.994 1.182 ( 0.000 -1.532 1.422) 2.090 1.187 ( 0.000 -1.362 -0.686) 1.525 1.209 ( 0.000 1.341 0.437) 1.410 1.231 ( 0.000 -1.470 -3.320) 3.631 1.248 ( 0.000 0.670 1.428) 1.578 1.257 ( 0.000 -0.582 0.182) 0.609 1.259 ( 0.000 0.580 1.013) 1.167 1.280 ( 0.000 -0.154 0.725) 0.741 1.320 ( 0.000 0.691 -1.704) 1.839 1.335 ( 0.000 0.140 0.272) 0.306 1.350 ( 0.000 -0.404 -0.861) 0.952 1.354 ( 0.000 0.456 -0.591) 0.747 1.373 ( 0.000 -1.423 0.323) 1.460 1.385 ( 0.000 -0.194 -4.541) 4.545 1.416 ( 0.000 -0.113 -1.054) 1.060 1.429 ( 0.000 -2.478 -0.826) 2.612 1.465 ( 0.000 -1.578 -0.502) 1.656 1.505 ( 0.000 -0.771 1.534) 1.716 1.507 ( 0.000 -2.162 1.662) 2.727 1.541 ( 0.000 0.076 2.299) 2.300 1.555 ( 0.000 -2.343 2.468) 3.403 1.588 ( 0.000 -2.929 3.333) 4.437 1.676 ( 0.000 -0.247 1.190) 1.215 1.723 ( 0.000 -0.896 0.249) 0.930 1.757 ( 0.000 -0.664 -2.636) 2.718 1.764 ( 0.000 1.547 1.161) 1.934 1.798 ( 0.000 3.819 2.889) 4.789 1.846 ( 0.000 -2.242 -1.865) 2.916 1.854 ( 0.000 -1.753 3.063) 3.529 1.858 ( 0.000 -0.946 1.493) 1.767 1.954 ( 0.000 -4.885 6.910) 8.462 1.965 ( 0.000 3.917 -2.093) 4.441 1.988 ( 0.000 -2.932 11.151) 11.530 2.031 ( 0.000 -3.850 5.537) 6.745 2.076 ( 0.000 2.117 0.338) 2.144 2.104 ( 0.000 -0.401 2.071) 2.110 2.172 ( 0.000 -2.568 -1.805) 3.139 2.207 ( 0.000 0.862 -4.797) 4.874 2.231 ( 0.000 -2.906 -1.328) 3.195 2.259 ( 0.000 -4.788 -1.229) 4.943 2.261 ( 0.000 0.009 -5.522) 5.522 2.344 ( 0.000 1.574 -0.049) 1.575 2.345 ( 0.000 0.978 0.861) 1.303 2.385 ( 0.000 0.913 -0.854) 1.250 2.436 ( 0.000 -2.382 -3.946) 4.610 2.510 ( 0.000 -0.997 4.549) 4.657 2.528 ( 0.000 -0.695 4.476) 4.529 2.616 ( 0.000 -0.167 -5.679) 5.681 2.618 ( 0.000 2.001 -4.482) 4.908 2.737 ( 0.000 -1.103 -0.612) 1.261 2.779 ( 0.000 -1.248 -4.858) 5.016 2.837 ( 0.000 0.577 -6.370) 6.396 2.874 ( 0.000 0.584 -4.726) 4.762 2.880 ( 0.000 2.385 -3.858) 4.535 2.915 ( 0.000 4.720 0.284) 4.728 2.929 ( 0.000 -2.885 -2.538) 3.842 3.012 ( 0.000 -1.557 0.414) 1.611 3.094 ( 0.000 2.285 -4.359) 4.921 3.103 ( 0.000 0.280 1.015) 1.053 3.154 ( 0.000 0.362 2.334) 2.362 3.169 ( 0.000 -3.963 -4.321) 5.864 3.232 ( 0.000 2.799 5.603) 6.263 3.272 ( 0.000 -2.447 -4.408) 5.042 3.335 ( 0.000 -1.521 -0.234) 1.539 3.353 ( 0.000 4.897 2.027) 5.300 3.385 ( 0.000 4.202 0.108) 4.203 3.426 ( 0.000 2.232 0.876) 2.397 3.437 ( 0.000 0.584 4.249) 4.289 3.462 ( 0.000 0.525 -1.219) 1.327 3.470 ( 0.000 2.128 0.622) 2.217 3.544 ( 0.000 4.601 4.546) 6.468 3.560 ( 0.000 2.315 2.392) 3.328 3.617 ( 0.000 3.131 4.362) 5.370 3.623 ( 0.000 -3.510 1.189) 3.706 3.632 ( 0.000 -1.833 2.916) 3.444 3.729 ( 0.000 -2.490 -1.391) 2.852 3.749 ( 0.000 -3.211 -2.547) 4.099 3.793 ( 0.000 -2.721 0.067) 2.721 3.809 ( 0.000 -3.134 0.912) 3.264 3.901 ( 0.000 2.480 -3.503) 4.293 3.924 ( 0.000 -0.365 0.187) 0.410 3.952 ( 0.000 1.956 3.860) 4.327 4.002 ( 0.000 0.331 -3.953) 3.966 4.037 ( 0.000 -0.978 -3.673) 3.801 4.083 ( 0.000 1.294 1.042) 1.661 4.085 ( 0.000 -0.079 -1.771) 1.772 4.138 ( 0.000 -1.041 -0.177) 1.056 4.213 ( 0.000 2.179 -1.007) 2.400 4.250 ( 0.000 -0.767 2.234) 2.362 4.260 ( 0.000 0.166 3.184) 3.188 4.347 ( 0.000 -1.795 -0.891) 2.004 4.381 ( 0.000 1.192 8.043) 8.131 4.462 ( 0.000 -4.076 7.293) 8.355 4.464 ( 0.000 1.341 10.544) 10.628 4.497 ( 0.000 3.352 -0.104) 3.353 4.533 ( 0.000 -0.567 -0.724) 0.920 4.593 ( 0.000 -1.252 3.635) 3.845 4.666 ( 0.000 -2.381 5.456) 5.953 4.668 ( 0.000 -0.031 4.532) 4.532 4.774 ( 0.000 1.290 3.324) 3.565 4.819 ( 0.000 0.817 -0.677) 1.061 4.820 ( 0.000 0.607 -0.350) 0.701 4.834 ( 0.000 2.713 3.619) 4.523 4.905 ( 0.000 -1.540 -0.041) 1.540 4.936 ( 0.000 -3.913 0.167) 3.916 5.002 ( 0.000 0.853 4.224) 4.309 5.107 ( 0.000 -4.085 2.046) 4.568 5.177 ( 0.000 -2.625 0.187) 2.632 5.188 ( 0.000 -3.388 1.394) 3.663 5.204 ( 0.000 -0.260 10.359) 10.362 5.290 ( 0.000 0.356 -3.968) 3.984 5.310 ( 0.000 -0.807 4.148) 4.225 5.337 ( 0.000 1.565 1.015) 1.866 5.408 ( 0.000 0.054 4.373) 4.374 5.446 ( 0.000 -0.475 -4.763) 4.787 5.514 ( 0.000 -1.072 -5.201) 5.311 5.559 ( 0.000 1.753 -3.991) 4.359 5.567 ( 0.000 -2.779 -9.351) 9.755 5.700 ( 0.000 -8.075 8.042) 11.396 5.706 ( 0.000 1.595 -5.006) 5.254 5.808 ( 0.000 -5.836 -1.221) 5.963 5.903 ( 0.000 4.487 -8.069) 9.232 5.967 ( 0.000 2.303 2.430) 3.348 5.996 ( 0.000 -0.026 2.477) 2.477 6.061 ( 0.000 1.822 -0.019) 1.822 6.064 ( 0.000 1.375 -3.098) 3.389 6.218 ( 0.000 -3.090 -5.601) 6.397 6.270 ( 0.000 -0.368 0.424) 0.561 6.304 ( 0.000 -4.334 -0.041) 4.334 6.406 ( 0.000 1.136 -5.417) 5.535 6.431 ( 0.000 0.502 -5.143) 5.167 6.634 ( 0.000 0.604 4.848) 4.886 6.644 ( 0.000 0.350 4.258) 4.272 6.798 ( 0.000 0.648 -2.557) 2.638 6.798 ( 0.000 0.654 -2.559) 2.642 7.304 ( 0.000 1.118 0.489) 1.220 7.334 ( 0.000 1.266 -0.616) 1.408 7.373 ( 0.000 -1.587 0.075) 1.589 7.398 ( 0.000 -1.247 -0.844) 1.506 8.463 ( 0.000 0.020 0.233) 0.234 8.477 ( 0.000 -1.446 1.364) 1.988 8.484 ( 0.000 -0.477 0.548) 0.727 8.486 ( 0.000 -0.892 -0.827) 1.216 8.554 ( 0.000 0.951 -0.065) 0.953 8.570 ( 0.000 0.462 -0.154) 0.487 8.580 ( 0.000 1.915 -0.447) 1.966 8.635 ( 0.000 1.638 -5.131) 5.387 8.896 ( 0.000 1.372 0.646) 1.516 8.903 ( 0.000 1.993 0.586) 2.077 8.908 ( 0.000 -0.002 -0.170) 0.170 8.926 ( 0.000 0.812 -0.033) 0.812 8.930 ( 0.000 0.095 -0.518) 0.527 8.934 ( 0.000 1.764 0.270) 1.785 9.004 ( 0.000 -1.151 0.721) 1.358 9.022 ( 0.000 -0.167 0.289) 0.334 9.115 ( 0.000 -0.305 3.435) 3.449 9.169 ( 0.000 -4.374 4.306) 6.138 9.264 ( 0.000 0.419 -1.454) 1.513 9.282 ( 0.000 0.541 -1.305) 1.413 9.344 ( 0.000 -1.472 6.043) 6.220 9.361 ( 0.000 -0.662 5.024) 5.067 9.577 ( 0.000 0.777 -3.613) 3.696 9.641 ( 0.000 -1.651 -4.297) 4.603 9.670 ( 0.000 1.316 1.280) 1.836 9.690 ( 0.000 1.580 3.868) 4.179 9.742 ( 0.000 -1.750 1.543) 2.333 9.788 ( 0.000 1.802 0.047) 1.803 9.813 ( 0.000 -2.443 1.048) 2.658 9.845 ( 0.000 1.471 0.349) 1.511 9.853 ( 0.000 -0.438 1.097) 1.181 9.924 ( 0.000 -3.789 6.334) 7.381 9.959 ( 0.000 -2.500 -2.049) 3.232 9.991 ( 0.000 -0.401 -6.287) 6.299 10.019 ( 0.000 0.032 -3.530) 3.530 10.078 ( 0.000 -0.704 -0.050) 0.706 10.167 ( 0.000 1.347 -2.301) 2.666 10.238 ( 0.000 -1.483 -1.377) 2.024 10.248 ( 0.000 -1.579 -1.477) 2.162 10.291 ( 0.000 -3.342 -6.335) 7.162 10.358 ( 0.000 2.954 3.312) 4.438 10.458 ( 0.000 1.968 -1.603) 2.538 10.468 ( 0.000 -0.902 3.608) 3.719 10.485 ( 0.000 -0.039 0.869) 0.870 10.488 ( 0.000 -0.330 0.425) 0.539 10.508 ( 0.000 -0.681 0.208) 0.712 10.522 ( 0.000 -1.540 -0.333) 1.575 10.593 ( 0.000 -1.819 -0.851) 2.009 10.628 ( 0.000 -1.872 0.426) 1.920 10.630 ( 0.000 4.875 1.975) 5.260 10.658 ( 0.000 0.231 0.487) 0.539 10.688 ( 0.000 2.105 -1.411) 2.534 10.724 ( 0.000 1.520 0.696) 1.672 10.776 ( 0.000 2.312 1.140) 2.578 10.779 ( 0.000 -0.398 -0.551) 0.680 10.843 ( 0.000 -0.814 -1.149) 1.408 10.898 ( 0.000 1.089 1.739) 2.052 10.916 ( 0.000 0.606 0.525) 0.802 10.925 ( 0.000 0.590 0.376) 0.699 10.942 ( 0.000 -0.201 0.209) 0.290 10.967 ( 0.000 0.821 0.368) 0.900 11.107 ( 0.000 11.422 -12.221) 16.727 11.136 ( 0.000 -4.690 0.617) 4.730 11.247 ( 0.000 0.719 -3.700) 3.769 ======================= Grid point 31 (14/27) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 6.548 8.535 9.982) 14.675 0.670 ( 7.737 6.620 10.924) 14.934 0.878 ( 0.549 -2.305 4.055) 4.697 0.906 ( 0.705 -0.688 4.882) 4.980 0.944 ( 0.372 2.672 6.977) 7.480 0.993 ( 0.227 -0.200 -2.137) 2.158 1.030 ( -2.730 -1.012 0.024) 2.911 1.056 ( 1.873 -0.608 -2.933) 3.533 1.112 ( -0.902 -0.521 -1.265) 1.639 1.122 ( -0.586 0.586 -1.989) 2.155 1.145 ( 0.983 -0.707 0.217) 1.230 1.167 ( -2.150 -0.771 -0.196) 2.293 1.172 ( 0.898 -0.732 1.573) 1.953 1.188 ( 3.463 1.672 3.559) 5.239 1.196 ( 1.428 -0.748 -0.045) 1.612 1.216 ( 0.217 0.636 1.017) 1.219 1.241 ( 0.604 -0.169 -1.901) 2.001 1.247 ( 1.298 0.987 0.420) 1.684 1.262 ( 0.007 -1.046 0.283) 1.083 1.275 ( 0.924 1.345 2.303) 2.822 1.299 ( 3.007 -1.491 -0.854) 3.464 1.318 ( -0.533 0.089 0.266) 0.602 1.332 ( 0.909 0.388 -1.220) 1.569 1.345 ( 1.659 0.926 1.650) 2.517 1.374 ( 1.206 -1.429 -1.219) 2.233 1.392 ( 2.573 -0.330 -0.202) 2.602 1.415 ( 1.155 -0.213 -0.074) 1.177 1.430 ( 1.811 -1.734 -2.938) 3.863 1.441 ( -0.294 -0.280 2.180) 2.218 1.465 ( -0.839 -3.579 -0.640) 3.731 1.486 ( -1.249 -1.736 0.830) 2.294 1.508 ( 0.371 -2.040 -0.788) 2.218 1.542 ( -0.031 -1.818 1.971) 2.682 1.589 ( 5.462 0.641 2.086) 5.882 1.620 ( 3.332 -1.640 2.647) 4.561 1.702 ( 2.870 -0.761 2.788) 4.074 1.738 ( 1.839 0.774 1.948) 2.788 1.772 ( 1.159 1.178 0.447) 1.712 1.793 ( 1.203 1.564 3.575) 4.083 1.817 ( 3.213 1.133 -1.058) 3.568 1.840 ( 0.760 -0.973 -0.101) 1.239 1.863 ( 1.548 -1.109 -1.689) 2.545 1.912 ( 1.510 0.692 1.650) 2.342 1.945 ( -0.880 -0.865 3.065) 3.304 1.947 ( -0.278 3.549 -0.794) 3.647 2.013 ( 0.618 -2.426 5.403) 5.955 2.034 ( -0.850 1.152 3.840) 4.098 2.067 ( 2.033 -2.547 0.895) 3.379 2.121 ( 1.336 -0.414 4.966) 5.159 2.164 ( -2.455 -1.674 1.190) 3.201 2.191 ( -1.490 -1.555 -1.736) 2.766 2.224 ( -0.947 -1.749 -2.972) 3.576 2.255 ( -1.370 -1.474 -2.601) 3.289 2.262 ( 0.363 0.412 -3.516) 3.558 2.316 ( -0.943 0.350 1.068) 1.467 2.334 ( -1.963 1.037 -0.322) 2.243 2.362 ( -2.033 0.637 -0.817) 2.282 2.410 ( -2.256 -2.668 -4.214) 5.474 2.515 ( 0.416 0.164 0.930) 1.032 2.546 ( 0.645 -0.405 6.410) 6.455 2.592 ( -1.249 1.493 -3.092) 3.654 2.622 ( 1.805 -0.737 -1.032) 2.206 2.707 ( -1.373 1.797 -0.568) 2.332 2.803 ( 0.016 0.612 -3.000) 3.062 2.860 ( -0.189 -1.659 -0.088) 1.672 2.876 ( 0.926 1.983 -2.431) 3.271 2.887 ( 0.789 -0.370 -2.662) 2.801 2.939 ( 4.139 -0.578 -6.084) 7.381 2.985 ( 3.277 0.116 -1.088) 3.455 3.019 ( 1.096 -0.026 -1.146) 1.586 3.085 ( 0.192 2.293 -5.274) 5.755 3.118 ( 1.136 0.681 -0.441) 1.396 3.159 ( 0.151 0.131 0.647) 0.677 3.193 ( 1.306 -2.337 0.065) 2.678 3.211 ( 0.558 1.256 1.210) 1.832 3.284 ( -0.596 -2.446 -0.863) 2.662 3.300 ( -1.950 0.758 1.692) 2.691 3.335 ( -1.508 1.252 0.131) 1.964 3.369 ( -3.103 -0.883 1.513) 3.563 3.399 ( -1.656 2.388 1.097) 3.106 3.438 ( -1.126 1.765 1.473) 2.560 3.454 ( 1.452 1.692 2.001) 2.996 3.480 ( 0.192 1.705 1.686) 2.405 3.515 ( -0.691 1.897 1.476) 2.501 3.564 ( -2.910 -0.335 1.713) 3.393 3.605 ( 0.229 0.006 0.583) 0.627 3.630 ( 2.091 -1.665 0.955) 2.838 3.676 ( 3.128 3.132 4.435) 6.266 3.708 ( -3.815 -3.386 -1.036) 5.205 3.714 ( -1.129 -0.111 -2.951) 3.162 3.794 ( -0.995 -1.636 2.582) 3.214 3.809 ( 1.026 0.243 -1.099) 1.523 3.848 ( -4.764 -0.702 0.370) 4.830 3.925 ( 1.175 -0.157 -2.266) 2.557 3.949 ( -3.439 -1.406 -1.963) 4.202 3.985 ( -4.413 2.168 -2.397) 5.470 4.027 ( 2.585 2.428 4.700) 5.888 4.053 ( 0.388 2.978 -0.004) 3.004 4.114 ( 0.957 -0.612 0.885) 1.440 4.168 ( 2.554 -2.212 -1.955) 3.904 4.200 ( -1.545 -0.254 2.333) 2.810 4.219 ( -1.470 -1.917 1.886) 3.065 4.308 ( 2.475 0.565 -0.490) 2.586 4.324 ( -2.202 -0.091 2.478) 3.317 4.375 ( 0.258 0.383 3.082) 3.116 4.451 ( -1.384 -0.427 8.515) 8.637 4.456 ( -0.644 -1.337 9.384) 9.501 4.492 ( 0.699 1.710 1.966) 2.698 4.514 ( -2.309 -0.432 2.171) 3.198 4.589 ( -0.682 -1.707 3.736) 4.164 4.630 ( -3.159 -1.568 4.874) 6.016 4.647 ( -1.291 -2.815 6.784) 7.458 4.746 ( -3.700 0.776 2.727) 4.661 4.774 ( -3.565 2.214 1.675) 4.519 4.808 ( -1.004 -0.304 -1.415) 1.762 4.847 ( 1.219 -0.149 0.057) 1.230 4.905 ( 0.013 1.339 3.363) 3.620 4.921 ( 1.834 1.334 3.829) 4.450 5.037 ( 1.982 -1.525 -0.136) 2.504 5.055 ( -2.865 1.666 11.827) 12.283 5.111 ( 0.161 -3.421 0.600) 3.477 5.146 ( -1.680 -1.512 -0.445) 2.304 5.185 ( 0.930 -2.802 3.028) 4.229 5.265 ( -2.010 -3.097 1.421) 3.956 5.330 ( 0.303 1.687 2.063) 2.682 5.376 ( 0.138 -0.798 1.624) 1.815 5.462 ( -1.333 3.059 -10.055) 10.595 5.515 ( 5.859 2.968 -7.726) 10.141 5.537 ( -1.480 0.023 -7.212) 7.362 5.630 ( 5.790 -2.610 -7.161) 9.572 5.659 ( 4.691 1.462 -6.061) 7.803 5.717 ( -2.628 -0.074 -7.798) 8.229 5.782 ( 13.089 2.112 0.633) 13.273 5.869 ( 3.818 -3.358 -0.859) 5.157 5.939 ( -2.219 -0.315 0.378) 2.273 5.982 ( -1.626 -0.956 1.476) 2.395 6.040 ( 6.506 0.614 2.191) 6.893 6.139 ( 13.719 1.727 -3.674) 14.307 6.227 ( 17.501 -6.687 -1.586) 18.802 6.294 ( 6.417 1.769 0.092) 6.657 6.330 ( 9.999 -3.583 -4.388) 11.492 6.399 ( 3.156 0.129 -3.850) 4.979 6.450 ( 7.682 -2.289 -2.507) 8.399 6.474 ( 4.816 -2.167 -3.389) 6.275 6.623 ( 0.374 0.643 4.741) 4.799 6.651 ( 1.020 -0.253 4.068) 4.201 6.779 ( -0.491 0.870 -2.307) 2.514 6.799 ( -0.442 0.072 -2.422) 2.463 7.227 ( -8.046 1.635 0.998) 8.271 7.270 ( -7.244 1.572 -0.592) 7.436 7.327 ( -5.871 -2.303 -0.333) 6.315 7.351 ( -5.559 -1.623 -1.221) 5.918 8.461 ( -0.131 0.012 0.268) 0.299 8.475 ( -0.322 -1.065 0.897) 1.429 8.481 ( -0.161 -0.246 -0.171) 0.340 8.489 ( 0.081 -1.065 -0.064) 1.070 8.542 ( -0.648 1.378 0.308) 1.554 8.570 ( -0.708 1.973 -0.321) 2.121 8.581 ( 0.461 -0.143 -0.472) 0.675 8.618 ( -1.345 1.374 -3.388) 3.895 8.894 ( -0.021 1.260 0.459) 1.341 8.898 ( -0.030 1.971 0.883) 2.160 8.920 ( -0.130 0.184 0.045) 0.229 8.925 ( -0.304 1.165 0.098) 1.208 8.936 ( 1.209 0.555 -0.457) 1.407 8.943 ( 0.943 0.612 -0.363) 1.181 8.999 ( -0.604 -0.986 0.920) 1.478 9.016 ( -0.678 -0.526 0.349) 0.926 9.139 ( 2.449 -0.294 4.016) 4.713 9.154 ( 0.302 -1.495 5.265) 5.481 9.282 ( 0.710 0.869 1.296) 1.715 9.304 ( -3.020 0.097 5.908) 6.636 9.349 ( 1.874 -0.432 1.999) 2.774 9.398 ( 6.977 -2.440 -4.342) 8.573 9.591 ( -0.152 1.044 -4.386) 4.511 9.651 ( 0.981 -0.698 -5.713) 5.839 9.663 ( -0.324 1.000 2.893) 3.078 9.688 ( 0.229 1.166 1.549) 1.952 9.736 ( -0.553 -1.293 0.557) 1.513 9.782 ( -2.038 -2.365 2.598) 4.061 9.796 ( -0.097 -0.309 1.153) 1.198 9.850 ( 0.877 1.584 -0.132) 1.816 9.886 ( -1.099 -1.621 0.683) 2.074 9.896 ( 0.868 1.970 -0.410) 2.191 9.919 ( -2.847 -1.346 -0.876) 3.269 9.998 ( 0.634 -1.946 -1.964) 2.836 10.013 ( -0.534 -0.636 -2.329) 2.472 10.088 ( -2.153 -1.395 -1.437) 2.941 10.152 ( 0.150 1.790 -1.894) 2.610 10.221 ( -0.806 -1.419 -3.595) 3.948 10.255 ( 0.725 -2.574 -1.370) 3.005 10.296 ( -0.488 -2.657 -3.258) 4.232 10.380 ( 2.151 1.165 3.415) 4.201 10.434 ( -0.933 -0.063 2.448) 2.621 10.468 ( -1.445 0.319 1.950) 2.448 10.488 ( 2.465 0.158 -1.494) 2.887 10.503 ( -0.295 -1.112 -0.822) 1.414 10.523 ( 1.058 -1.315 -0.209) 1.701 10.540 ( 1.472 -0.560 0.880) 1.804 10.568 ( -1.569 -0.556 -1.057) 1.972 10.605 ( -0.711 -0.656 1.108) 1.471 10.635 ( -0.605 2.520 2.199) 3.399 10.671 ( 0.373 2.351 -1.092) 2.619 10.715 ( 2.529 0.014 -0.634) 2.608 10.731 ( 0.783 1.666 0.978) 2.084 10.758 ( -0.674 0.273 -0.379) 0.820 10.791 ( 0.578 2.112 1.113) 2.457 10.859 ( 1.133 -0.698 -0.745) 1.525 10.896 ( 0.010 1.134 1.072) 1.560 10.908 ( -0.466 1.387 0.208) 1.478 10.939 ( 1.259 1.034 0.175) 1.638 10.957 ( -0.557 1.256 0.243) 1.395 10.978 ( 2.879 -1.467 0.053) 3.232 11.049 ( -4.409 7.788 -5.826) 10.678 11.120 ( -1.981 -3.384 -0.271) 3.930 11.213 ( -3.580 0.139 -3.182) 4.792 ======================= Grid point 32 (15/27) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 9.276 2.493 5.904) 11.275 0.800 ( 5.905 2.324 7.285) 9.661 0.873 ( -2.819 -1.105 3.077) 4.316 0.881 ( -2.773 -1.237 4.512) 5.439 0.958 ( -0.378 0.859 4.313) 4.414 0.965 ( -2.031 0.944 2.651) 3.470 1.019 ( 2.097 -1.060 -0.494) 2.401 1.063 ( -2.181 -1.735 -0.595) 2.850 1.097 ( 0.710 0.848 -3.545) 3.714 1.116 ( -1.123 1.408 -2.338) 2.951 1.140 ( 0.281 -0.812 -1.614) 1.829 1.156 ( -0.788 -1.419 -0.396) 1.671 1.168 ( 0.612 -0.829 -1.904) 2.165 1.187 ( -1.315 0.002 -0.664) 1.473 1.213 ( 0.776 -0.567 0.444) 1.059 1.226 ( 0.031 1.030 0.115) 1.037 1.236 ( 0.040 0.642 0.020) 0.643 1.252 ( -0.919 -0.585 0.401) 1.161 1.276 ( 1.613 -1.584 -1.785) 2.880 1.301 ( -0.726 -0.949 -0.893) 1.491 1.333 ( 0.434 -1.497 -0.550) 1.653 1.336 ( 0.618 -2.666 -0.716) 2.829 1.362 ( 3.573 -0.990 -0.369) 3.726 1.395 ( 0.872 -0.506 1.466) 1.780 1.407 ( 1.330 -1.599 -0.817) 2.234 1.415 ( -0.439 -1.399 -0.192) 1.479 1.426 ( -0.124 -1.944 -0.594) 2.037 1.428 ( -1.879 -2.451 -0.015) 3.088 1.455 ( 1.851 -1.629 -0.737) 2.574 1.464 ( 1.363 0.147 0.585) 1.490 1.479 ( 0.999 -1.277 -1.361) 2.117 1.515 ( -0.804 -5.088 -1.904) 5.492 1.579 ( 5.853 2.071 6.078) 8.689 1.662 ( 0.233 2.181 2.307) 3.184 1.719 ( 2.712 -0.050 2.330) 3.576 1.770 ( 4.736 0.091 2.857) 5.532 1.782 ( 3.061 0.479 0.299) 3.113 1.799 ( 0.566 1.450 0.830) 1.764 1.815 ( 1.650 1.786 0.670) 2.522 1.824 ( 1.087 1.714 1.958) 2.820 1.861 ( -1.170 1.376 0.357) 1.841 1.888 ( 1.647 0.572 1.372) 2.219 1.921 ( -1.103 0.687 3.418) 3.657 1.951 ( 5.237 1.780 1.292) 5.680 1.977 ( -1.512 -0.988 0.116) 1.810 1.999 ( 1.227 1.542 0.886) 2.161 2.036 ( 1.192 1.512 0.358) 1.959 2.078 ( -4.353 1.376 1.420) 4.781 2.092 ( -3.806 1.115 0.784) 4.043 2.115 ( -5.296 1.040 0.864) 5.466 2.151 ( 2.034 -0.736 1.879) 2.865 2.204 ( -3.324 -0.328 0.599) 3.393 2.226 ( 2.224 -1.134 -0.101) 2.498 2.261 ( 0.953 -0.222 -0.156) 0.991 2.290 ( -3.082 0.273 -0.305) 3.109 2.306 ( -3.502 0.260 -0.854) 3.614 2.367 ( 4.708 -0.065 1.650) 4.989 2.407 ( 1.800 -1.544 -2.475) 3.428 2.479 ( -2.524 -0.187 -1.192) 2.797 2.504 ( -4.119 -0.683 0.439) 4.198 2.651 ( 4.377 2.520 0.929) 5.135 2.682 ( 3.332 0.378 2.168) 3.993 2.697 ( 0.354 3.683 -0.124) 3.702 2.759 ( -3.972 -0.227 2.452) 4.674 2.849 ( 0.242 -0.332 -0.247) 0.479 2.872 ( -1.525 0.213 0.419) 1.595 2.940 ( 3.721 -3.017 -1.446) 5.004 2.977 ( -0.025 -4.553 -0.424) 4.573 3.022 ( 0.877 0.989 -3.367) 3.617 3.034 ( 0.013 1.291 -3.808) 4.020 3.115 ( 1.369 1.588 -2.908) 3.585 3.135 ( -1.002 2.310 -0.606) 2.590 3.171 ( 3.908 0.764 -0.159) 3.985 3.203 ( 0.586 0.239 0.724) 0.962 3.238 ( -0.444 -0.978 -0.033) 1.074 3.270 ( 0.831 -2.439 0.480) 2.622 3.277 ( -4.033 -0.480 0.135) 4.064 3.303 ( -2.261 -0.670 2.824) 3.679 3.326 ( 3.153 -2.288 1.493) 4.173 3.382 ( -1.057 -0.631 0.385) 1.290 3.437 ( 0.143 0.841 -1.387) 1.628 3.453 ( -2.711 0.312 -1.005) 2.909 3.464 ( 1.014 -0.195 -0.084) 1.036 3.498 ( -1.880 -0.372 0.461) 1.971 3.568 ( 3.359 -0.482 3.330) 4.754 3.597 ( -0.438 0.459 0.570) 0.853 3.644 ( -3.142 0.673 0.391) 3.237 3.648 ( -1.686 -1.168 0.951) 2.261 3.709 ( 3.337 0.952 -2.233) 4.127 3.737 ( 1.281 1.686 -1.501) 2.595 3.753 ( -2.293 0.812 -0.074) 2.434 3.781 ( -2.869 0.147 -0.679) 2.952 3.837 ( 2.937 1.792 -0.457) 3.471 3.899 ( -3.293 1.328 -0.398) 3.573 3.909 ( -1.608 -0.344 -1.034) 1.943 3.923 ( -2.061 0.338 -1.279) 2.449 4.056 ( 2.366 1.443 3.066) 4.132 4.077 ( 0.778 1.946 2.304) 3.115 4.151 ( -1.591 -1.608 2.500) 3.371 4.162 ( -0.513 0.039 3.982) 4.015 4.170 ( 2.421 0.495 -0.013) 2.471 4.237 ( -1.777 -0.853 0.561) 2.049 4.275 ( 1.484 -1.591 -0.115) 2.179 4.328 ( -2.019 -2.858 0.137) 3.502 4.399 ( 1.911 1.013 4.705) 5.178 4.424 ( -1.191 1.157 6.702) 6.904 4.453 ( 0.735 -2.077 7.822) 8.127 4.474 ( -1.493 -0.979 5.409) 5.696 4.524 ( 1.715 0.910 3.487) 3.991 4.554 ( -2.207 -1.179 2.334) 3.422 4.603 ( 0.181 -2.829 2.664) 3.890 4.625 ( -1.486 -3.070 4.880) 5.954 4.699 ( -0.837 2.424 3.957) 4.716 4.716 ( -2.401 2.644 2.399) 4.302 4.804 ( 0.863 -1.712 -0.768) 2.065 4.835 ( -2.033 -2.413 -0.347) 3.175 4.930 ( 2.192 3.384 4.564) 6.090 4.956 ( 0.398 2.346 2.525) 3.469 5.018 ( 0.027 0.065 4.882) 4.883 5.045 ( -1.918 -0.747 -0.067) 2.060 5.150 ( 3.984 -2.142 3.617) 5.792 5.175 ( 3.217 -3.163 -0.255) 4.519 5.199 ( -0.327 -3.274 4.447) 5.532 5.227 ( -2.642 -3.887 4.469) 6.485 5.346 ( 2.015 2.775 -0.876) 3.539 5.381 ( 1.329 1.643 -3.319) 3.935 5.403 ( -3.920 3.576 -7.136) 8.893 5.442 ( -5.138 1.422 -5.903) 7.954 5.641 ( 2.812 1.222 -7.658) 8.249 5.661 ( 0.783 0.972 -8.748) 8.837 5.671 ( 0.571 0.857 -10.312) 10.364 5.713 ( -0.952 -0.479 -8.652) 8.718 5.904 ( 1.428 -1.473 0.487) 2.109 5.914 ( 0.121 -0.933 0.760) 1.209 5.920 ( 1.280 -1.440 -0.276) 1.947 5.947 ( -1.885 -1.383 -0.371) 2.367 6.293 ( 14.203 2.250 2.085) 14.530 6.396 ( 4.782 0.226 -1.582) 5.042 6.415 ( 4.827 -1.634 -1.193) 5.234 6.444 ( 7.184 1.245 -1.749) 7.498 6.447 ( 2.534 -0.190 -2.221) 3.375 6.470 ( 7.202 2.679 -2.932) 8.224 6.535 ( -0.297 0.427 -2.058) 2.123 6.546 ( 0.301 0.207 -1.658) 1.698 6.729 ( 10.800 -0.630 2.812) 11.178 6.811 ( 12.557 -3.837 -0.309) 13.133 6.826 ( 10.093 -2.547 -0.344) 10.415 6.878 ( 11.968 -2.657 -0.997) 12.300 7.024 ( -12.652 1.972 0.798) 12.830 7.071 ( -13.567 2.275 -0.921) 13.788 7.146 ( -13.728 -3.294 -0.688) 14.134 7.179 ( -13.447 -2.199 -1.667) 13.727 8.461 ( 0.141 -0.076 0.338) 0.374 8.467 ( -0.471 -0.488 0.508) 0.848 8.480 ( 0.126 -0.183 -0.285) 0.361 8.486 ( -0.380 -0.591 -0.259) 0.749 8.541 ( 0.482 1.520 0.555) 1.689 8.554 ( -0.905 1.538 0.119) 1.789 8.588 ( 0.426 -0.072 -0.982) 1.073 8.599 ( -0.777 0.552 -1.689) 1.939 8.898 ( 0.433 1.377 0.624) 1.572 8.902 ( 0.458 1.567 0.727) 1.787 8.910 ( -0.692 0.921 0.337) 1.200 8.914 ( -0.724 1.262 0.462) 1.527 8.963 ( 1.233 -0.063 -0.252) 1.260 8.967 ( 1.782 -0.175 -0.152) 1.797 8.984 ( -1.031 -0.792 0.531) 1.405 8.997 ( -1.383 -0.525 0.260) 1.502 9.185 ( 2.798 -0.195 5.196) 5.904 9.193 ( 3.261 -0.266 5.014) 5.987 9.243 ( -3.413 0.076 5.231) 6.246 9.252 ( -3.023 -0.066 4.953) 5.804 9.427 ( 5.778 1.533 -1.681) 6.210 9.526 ( 1.031 -0.300 -4.774) 4.894 9.536 ( 0.580 -0.128 -4.951) 4.986 9.634 ( -3.748 -1.729 -7.099) 8.212 9.684 ( 1.968 0.715 1.056) 2.345 9.707 ( 0.978 0.398 0.218) 1.078 9.723 ( -1.043 -0.976 0.754) 1.616 9.730 ( -1.979 -0.388 1.211) 2.352 9.819 ( 1.901 0.131 0.830) 2.079 9.849 ( -1.744 0.701 0.354) 1.913 9.870 ( 2.582 0.495 2.131) 3.384 9.900 ( 0.964 0.315 -1.611) 1.903 9.923 ( -0.041 -0.131 -1.557) 1.563 9.964 ( -5.105 0.519 -0.153) 5.134 10.009 ( 0.185 0.187 -2.266) 2.282 10.025 ( -1.788 0.369 -2.401) 3.016 10.190 ( 2.909 -1.693 -1.430) 3.657 10.227 ( 0.392 -2.733 -2.804) 3.935 10.246 ( -0.860 -1.947 -1.398) 2.547 10.271 ( -1.962 -2.819 -2.164) 4.059 10.411 ( 1.246 0.007 2.525) 2.816 10.437 ( -1.636 0.545 2.170) 2.771 10.458 ( 2.604 -0.663 1.683) 3.171 10.492 ( -1.041 -1.002 -0.365) 1.490 10.519 ( 0.758 -0.904 -0.812) 1.432 10.534 ( -0.151 -1.865 -0.386) 1.910 10.547 ( 0.687 -2.294 -0.198) 2.403 10.564 ( -0.242 -1.918 -0.238) 1.947 10.602 ( 0.668 1.593 1.771) 2.474 10.620 ( -0.941 2.636 2.066) 3.479 10.681 ( 0.923 2.815 -1.515) 3.328 10.707 ( -1.702 2.229 -1.249) 3.070 10.764 ( 1.650 0.233 1.150) 2.024 10.785 ( 0.538 1.058 1.183) 1.676 10.801 ( 2.608 1.519 -0.110) 3.020 10.858 ( -1.938 0.224 -1.205) 2.293 10.897 ( 0.463 1.288 0.990) 1.689 10.917 ( -1.547 2.039 0.828) 2.690 10.920 ( 1.101 2.343 -0.165) 2.594 10.951 ( -1.737 4.695 -1.213) 5.151 11.020 ( 1.985 -1.227 0.216) 2.343 11.045 ( 4.354 -1.863 -0.933) 4.827 11.072 ( -3.056 -2.709 0.085) 4.085 11.132 ( -4.915 -1.023 -2.058) 5.426 ======================= Grid point 35 (16/27) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.000 -0.752 7.391) 7.429 0.739 ( 0.000 0.752 7.391) 7.429 0.808 ( 0.000 -1.919 8.345) 8.563 0.808 ( 0.000 1.919 8.345) 8.563 1.011 ( 0.000 -2.384 -0.063) 2.385 1.011 ( 0.000 2.384 -0.063) 2.385 1.027 ( 0.000 -1.299 2.446) 2.770 1.027 ( 0.000 1.299 2.446) 2.770 1.126 ( 0.000 -1.048 -3.971) 4.107 1.126 ( 0.000 1.048 -3.971) 4.107 1.151 ( 0.000 -0.426 -1.307) 1.375 1.151 ( 0.000 0.426 -1.307) 1.375 1.157 ( 0.000 -0.433 0.896) 0.995 1.157 ( 0.000 0.433 0.896) 0.995 1.217 ( 0.000 -1.908 -0.086) 1.910 1.217 ( 0.000 1.908 -0.086) 1.910 1.259 ( 0.000 -0.299 0.281) 0.410 1.259 ( 0.000 0.299 0.281) 0.410 1.273 ( 0.000 -0.207 -0.291) 0.357 1.273 ( 0.000 0.207 -0.291) 0.357 1.294 ( 0.000 -5.057 -1.750) 5.351 1.294 ( 0.000 5.057 -1.750) 5.351 1.339 ( 0.000 -0.019 -0.207) 0.208 1.339 ( 0.000 0.019 -0.207) 0.208 1.352 ( 0.000 -0.072 -1.966) 1.967 1.352 ( 0.000 0.072 -1.966) 1.967 1.402 ( 0.000 -0.709 -2.688) 2.780 1.402 ( 0.000 0.709 -2.688) 2.780 1.430 ( 0.000 -7.295 6.423) 9.720 1.430 ( 0.000 7.295 6.423) 9.720 1.474 ( 0.000 -0.123 3.167) 3.169 1.474 ( 0.000 0.123 3.167) 3.169 1.543 ( 0.000 -1.070 3.807) 3.955 1.543 ( 0.000 1.070 3.807) 3.955 1.564 ( 0.000 -4.026 2.513) 4.746 1.564 ( 0.000 4.026 2.513) 4.746 1.728 ( 0.000 -1.128 0.604) 1.280 1.728 ( 0.000 1.128 0.604) 1.280 1.792 ( 0.000 -1.546 -1.642) 2.255 1.792 ( 0.000 1.546 -1.642) 2.255 1.843 ( 0.000 -1.113 5.337) 5.452 1.843 ( 0.000 1.113 5.337) 5.452 1.890 ( 0.000 -0.812 4.432) 4.506 1.890 ( 0.000 0.812 4.432) 4.506 1.957 ( 0.000 -2.785 5.078) 5.792 1.957 ( 0.000 2.785 5.078) 5.792 2.098 ( 0.000 -3.863 1.828) 4.274 2.098 ( 0.000 3.863 1.828) 4.274 2.127 ( 0.000 -0.097 -2.458) 2.460 2.127 ( 0.000 0.097 -2.458) 2.460 2.160 ( 0.000 -2.440 -1.818) 3.043 2.160 ( 0.000 2.440 -1.818) 3.043 2.236 ( 0.000 -1.383 -4.611) 4.814 2.236 ( 0.000 1.383 -4.611) 4.814 2.367 ( 0.000 -0.119 -0.384) 0.402 2.367 ( 0.000 0.119 -0.384) 0.402 2.400 ( 0.000 -1.089 -0.935) 1.435 2.400 ( 0.000 1.089 -0.935) 1.435 2.510 ( 0.000 -0.839 4.674) 4.748 2.510 ( 0.000 0.839 4.674) 4.748 2.630 ( 0.000 -0.600 -7.177) 7.202 2.630 ( 0.000 0.600 -7.177) 7.202 2.748 ( 0.000 -1.593 -1.852) 2.443 2.748 ( 0.000 1.593 -1.852) 2.443 2.861 ( 0.000 -2.304 -5.814) 6.253 2.861 ( 0.000 2.304 -5.814) 6.253 2.897 ( 0.000 -0.455 -4.150) 4.175 2.897 ( 0.000 0.455 -4.150) 4.175 2.989 ( 0.000 -1.650 -1.292) 2.096 2.989 ( 0.000 1.650 -1.292) 2.096 3.086 ( 0.000 -0.213 2.059) 2.070 3.086 ( 0.000 0.213 2.059) 2.070 3.152 ( 0.000 -0.520 -2.356) 2.412 3.152 ( 0.000 0.520 -2.356) 2.412 3.258 ( 0.000 -0.628 -1.763) 1.871 3.258 ( 0.000 0.628 -1.763) 1.871 3.363 ( 0.000 -4.113 4.655) 6.212 3.363 ( 0.000 4.113 4.655) 6.212 3.436 ( 0.000 -2.291 0.758) 2.413 3.436 ( 0.000 2.291 0.758) 2.413 3.503 ( 0.000 -0.761 -1.596) 1.768 3.503 ( 0.000 0.761 -1.596) 1.768 3.519 ( 0.000 -4.524 0.677) 4.575 3.519 ( 0.000 4.524 0.677) 4.575 3.587 ( 0.000 -0.005 7.048) 7.048 3.587 ( 0.000 0.005 7.048) 7.048 3.633 ( 0.000 -2.235 0.454) 2.281 3.633 ( 0.000 2.235 0.454) 2.281 3.696 ( 0.000 -1.177 -3.347) 3.548 3.696 ( 0.000 1.177 -3.347) 3.548 3.766 ( 0.000 -0.803 1.261) 1.495 3.766 ( 0.000 0.803 1.261) 1.495 3.932 ( 0.000 -2.217 1.019) 2.440 3.932 ( 0.000 2.217 1.019) 2.440 3.991 ( 0.000 -4.252 -6.119) 7.451 3.991 ( 0.000 4.252 -6.119) 7.451 4.028 ( 0.000 -2.135 2.536) 3.315 4.028 ( 0.000 2.135 2.536) 3.315 4.137 ( 0.000 -0.839 -2.125) 2.284 4.137 ( 0.000 0.839 -2.125) 2.284 4.230 ( 0.000 -0.699 2.928) 3.011 4.230 ( 0.000 0.699 2.928) 3.011 4.303 ( 0.000 -2.609 1.060) 2.816 4.303 ( 0.000 2.609 1.060) 2.816 4.403 ( 0.000 -1.456 4.616) 4.840 4.403 ( 0.000 1.456 4.616) 4.840 4.510 ( 0.000 -2.198 3.990) 4.555 4.510 ( 0.000 2.198 3.990) 4.555 4.547 ( 0.000 -2.460 1.669) 2.973 4.547 ( 0.000 2.460 1.669) 2.973 4.649 ( 0.000 -0.849 5.398) 5.464 4.649 ( 0.000 0.849 5.398) 5.464 4.815 ( 0.000 -1.908 0.322) 1.935 4.815 ( 0.000 1.908 0.322) 1.935 4.828 ( 0.000 -0.839 1.070) 1.360 4.828 ( 0.000 0.839 1.070) 1.360 4.905 ( 0.000 -0.265 4.506) 4.514 4.905 ( 0.000 0.265 4.506) 4.514 5.035 ( 0.000 -2.620 2.444) 3.582 5.035 ( 0.000 2.620 2.444) 3.582 5.149 ( 0.000 -0.060 2.839) 2.840 5.149 ( 0.000 0.060 2.839) 2.840 5.234 ( 0.000 -3.150 8.606) 9.165 5.234 ( 0.000 3.150 8.606) 9.165 5.337 ( 0.000 -1.460 -0.483) 1.537 5.337 ( 0.000 1.460 -0.483) 1.537 5.419 ( 0.000 -1.306 3.205) 3.461 5.419 ( 0.000 1.306 3.205) 3.461 5.517 ( 0.000 -1.441 -7.560) 7.696 5.517 ( 0.000 1.441 -7.560) 7.696 5.606 ( 0.000 -2.838 -0.789) 2.946 5.606 ( 0.000 2.838 -0.789) 2.946 5.743 ( 0.000 -2.068 -5.904) 6.256 5.743 ( 0.000 2.068 -5.904) 6.256 5.986 ( 0.000 -1.439 0.684) 1.593 5.986 ( 0.000 1.439 0.684) 1.593 6.029 ( 0.000 -4.547 -3.031) 5.465 6.029 ( 0.000 4.547 -3.031) 5.465 6.125 ( 0.000 -4.551 -5.372) 7.040 6.125 ( 0.000 4.551 -5.372) 7.040 6.261 ( 0.000 -0.062 1.320) 1.322 6.261 ( 0.000 0.062 1.320) 1.322 6.429 ( 0.000 -0.798 -5.563) 5.620 6.429 ( 0.000 0.798 -5.563) 5.620 6.645 ( 0.000 -0.304 4.494) 4.504 6.645 ( 0.000 0.304 4.494) 4.504 6.807 ( 0.000 -0.035 -2.666) 2.667 6.807 ( 0.000 0.035 -2.666) 2.667 7.336 ( 0.000 -1.900 0.366) 1.935 7.336 ( 0.000 1.900 0.366) 1.935 7.366 ( 0.000 -1.734 -0.755) 1.891 7.366 ( 0.000 1.734 -0.755) 1.891 8.467 ( 0.000 -0.131 0.539) 0.555 8.467 ( 0.000 0.131 0.539) 0.555 8.474 ( 0.000 -0.386 0.481) 0.617 8.474 ( 0.000 0.386 0.481) 0.617 8.568 ( 0.000 -0.400 -0.050) 0.404 8.568 ( 0.000 0.400 -0.050) 0.404 8.627 ( 0.000 -1.878 -3.403) 3.887 8.627 ( 0.000 1.878 -3.403) 3.887 8.907 ( 0.000 -0.164 -0.034) 0.168 8.907 ( 0.000 0.164 -0.034) 0.168 8.928 ( 0.000 -0.380 -0.323) 0.498 8.928 ( 0.000 0.380 -0.323) 0.498 8.964 ( 0.000 -2.513 0.642) 2.594 8.964 ( 0.000 2.513 0.642) 2.594 8.993 ( 0.000 -2.941 0.759) 3.037 8.993 ( 0.000 2.941 0.759) 3.037 9.114 ( 0.000 -0.752 4.598) 4.659 9.114 ( 0.000 0.752 4.598) 4.659 9.276 ( 0.000 -0.709 -1.466) 1.628 9.276 ( 0.000 0.709 -1.466) 1.628 9.344 ( 0.000 -0.876 5.393) 5.464 9.344 ( 0.000 0.876 5.393) 5.464 9.604 ( 0.000 -1.771 -3.750) 4.147 9.604 ( 0.000 1.771 -3.750) 4.147 9.703 ( 0.000 -1.808 0.360) 1.843 9.703 ( 0.000 1.808 0.360) 1.843 9.738 ( 0.000 -3.038 5.648) 6.414 9.738 ( 0.000 3.038 5.648) 6.414 9.829 ( 0.000 -1.813 -0.088) 1.815 9.829 ( 0.000 1.813 -0.088) 1.815 9.897 ( 0.000 -3.210 -1.010) 3.365 9.897 ( 0.000 3.210 -1.010) 3.365 9.948 ( 0.000 -2.745 -0.786) 2.855 9.948 ( 0.000 2.745 -0.786) 2.855 10.053 ( 0.000 -1.929 -3.886) 4.338 10.053 ( 0.000 1.929 -3.886) 4.338 10.200 ( 0.000 -1.886 -2.254) 2.939 10.200 ( 0.000 1.886 -2.254) 2.939 10.240 ( 0.000 -1.023 -4.186) 4.309 10.240 ( 0.000 1.023 -4.186) 4.309 10.425 ( 0.000 -3.190 2.953) 4.347 10.425 ( 0.000 3.190 2.953) 4.347 10.481 ( 0.000 -0.136 -0.344) 0.370 10.481 ( 0.000 0.136 -0.344) 0.370 10.488 ( 0.000 -0.987 1.105) 1.482 10.488 ( 0.000 0.987 1.105) 1.482 10.546 ( 0.000 -2.810 -1.037) 2.996 10.546 ( 0.000 2.810 -1.037) 2.996 10.618 ( 0.000 -1.381 2.017) 2.445 10.618 ( 0.000 1.381 2.017) 2.445 10.722 ( 0.000 -0.139 -1.917) 1.922 10.722 ( 0.000 0.139 -1.917) 1.922 10.750 ( 0.000 -3.055 2.109) 3.712 10.750 ( 0.000 3.055 2.109) 3.712 10.810 ( 0.000 -2.583 -0.059) 2.583 10.810 ( 0.000 2.583 -0.059) 2.583 10.915 ( 0.000 -0.449 1.019) 1.113 10.915 ( 0.000 0.449 1.019) 1.113 10.936 ( 0.000 -0.355 0.204) 0.409 10.936 ( 0.000 0.355 0.204) 0.409 11.031 ( 0.000 -5.144 1.354) 5.319 11.031 ( 0.000 5.144 1.354) 5.319 11.234 ( 0.000 -2.470 -7.793) 8.175 11.234 ( 0.000 2.470 -7.793) 8.175 ======================= Grid point 37 (17/27) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 3.060 -2.286 6.277) 7.347 0.769 ( 3.060 2.286 6.277) 7.347 0.829 ( 1.952 -1.829 7.158) 7.642 0.829 ( 1.952 1.829 7.158) 7.642 0.994 ( -1.060 -0.944 0.647) 1.560 0.994 ( -1.060 0.944 0.647) 1.560 1.024 ( -1.048 -2.549 3.049) 4.110 1.024 ( -1.048 2.549 3.049) 4.110 1.122 ( -0.298 -1.024 -3.735) 3.884 1.122 ( -0.298 1.024 -3.735) 3.884 1.138 ( 0.378 -0.455 -1.313) 1.441 1.138 ( 0.378 0.455 -1.313) 1.441 1.173 ( 0.076 -0.945 -0.501) 1.072 1.173 ( 0.076 0.945 -0.501) 1.072 1.222 ( -0.186 -1.054 -0.535) 1.196 1.222 ( -0.186 1.054 -0.535) 1.196 1.250 ( -0.607 -1.749 -1.068) 2.137 1.250 ( -0.607 1.749 -1.068) 2.137 1.273 ( -0.154 -0.889 -0.441) 1.004 1.273 ( -0.154 0.889 -0.441) 1.004 1.302 ( 1.258 -1.324 -1.914) 2.646 1.302 ( 1.258 1.324 -1.914) 2.646 1.340 ( -0.149 -1.299 -1.598) 2.065 1.340 ( -0.149 1.299 -1.598) 2.065 1.370 ( 1.162 -1.106 -0.072) 1.606 1.370 ( 1.162 1.106 -0.072) 1.606 1.416 ( 0.853 -0.121 -1.617) 1.832 1.416 ( 0.853 0.121 -1.617) 1.832 1.449 ( 0.270 -1.096 2.597) 2.831 1.449 ( 0.270 1.096 2.597) 2.831 1.470 ( 0.491 -2.366 2.592) 3.543 1.470 ( 0.491 2.366 2.592) 3.543 1.556 ( 3.059 -4.328 4.647) 7.049 1.556 ( 3.059 4.328 4.647) 7.049 1.629 ( 6.475 -3.547 2.917) 7.938 1.629 ( 6.475 3.547 2.917) 7.938 1.758 ( 2.934 -1.141 1.307) 3.409 1.758 ( 2.934 1.141 1.307) 3.409 1.824 ( 2.864 -0.112 -1.744) 3.355 1.824 ( 2.864 0.112 -1.744) 3.355 1.848 ( 0.051 -1.527 4.486) 4.739 1.848 ( 0.051 1.527 4.486) 4.739 1.921 ( 2.081 -1.981 2.202) 3.620 1.921 ( 2.081 1.981 2.202) 3.620 1.982 ( 2.837 -0.784 5.401) 6.151 1.982 ( 2.837 0.784 5.401) 6.151 2.079 ( -1.479 -1.189 0.138) 1.903 2.079 ( -1.479 1.189 0.138) 1.903 2.131 ( 0.378 -2.111 1.838) 2.825 2.131 ( 0.378 2.111 1.838) 2.825 2.150 ( -0.792 -0.860 -0.694) 1.360 2.150 ( -0.792 0.860 -0.694) 1.360 2.258 ( 1.164 -0.784 -4.872) 5.070 2.258 ( 1.164 0.784 -4.872) 5.070 2.342 ( -2.300 -1.325 -1.093) 2.870 2.342 ( -2.300 1.325 -1.093) 2.870 2.370 ( -2.314 -0.917 -1.524) 2.919 2.370 ( -2.314 0.917 -1.524) 2.919 2.531 ( 0.519 -0.984 4.388) 4.527 2.531 ( 0.519 0.984 4.388) 4.527 2.611 ( 0.469 -0.666 -3.450) 3.545 2.611 ( 0.469 0.666 -3.450) 3.545 2.766 ( 1.253 -3.315 -0.934) 3.665 2.766 ( 1.253 3.315 -0.934) 3.665 2.867 ( -0.667 -2.039 -2.682) 3.434 2.867 ( -0.667 2.039 -2.682) 3.434 2.901 ( 0.483 -1.110 -3.084) 3.313 2.901 ( 0.483 1.110 -3.084) 3.313 3.024 ( 3.130 -1.469 -3.627) 5.011 3.024 ( 3.130 1.469 -3.627) 5.011 3.100 ( 1.743 -0.288 0.507) 1.838 3.100 ( 1.743 0.288 0.507) 1.838 3.158 ( 0.594 -0.755 -2.943) 3.096 3.158 ( 0.594 0.755 -2.943) 3.096 3.250 ( -0.675 -1.071 -1.373) 1.868 3.250 ( -0.675 1.071 -1.373) 1.868 3.320 ( -3.573 -2.722 3.457) 5.668 3.320 ( -3.573 2.722 3.457) 5.668 3.419 ( -2.256 -2.788 1.264) 3.802 3.419 ( -2.256 2.788 1.264) 3.802 3.474 ( -2.857 -1.330 3.131) 4.443 3.474 ( -2.857 1.330 3.131) 4.443 3.508 ( -1.649 -2.186 0.982) 2.909 3.508 ( -1.649 2.186 0.982) 2.909 3.575 ( 0.952 -2.931 -0.186) 3.088 3.575 ( 0.952 2.931 -0.186) 3.088 3.633 ( -0.340 -2.766 -0.194) 2.793 3.633 ( -0.340 2.766 -0.194) 2.793 3.726 ( 2.033 -0.463 -0.463) 2.136 3.726 ( 2.033 0.463 -0.463) 2.136 3.782 ( 0.696 -0.875 0.955) 1.470 3.782 ( 0.696 0.875 0.955) 1.470 3.887 ( -2.381 -3.386 0.764) 4.209 3.887 ( -2.381 3.386 0.764) 4.209 3.964 ( -2.803 -3.185 -4.098) 5.899 3.964 ( -2.803 3.185 -4.098) 5.899 4.075 ( 3.375 -2.327 2.655) 4.884 4.075 ( 3.375 2.327 2.655) 4.884 4.137 ( 0.104 -1.871 -1.808) 2.604 4.137 ( 0.104 1.871 -1.808) 2.604 4.192 ( -2.445 -0.830 2.971) 3.936 4.192 ( -2.445 0.830 2.971) 3.936 4.318 ( -0.277 -0.453 0.354) 0.638 4.318 ( -0.277 0.453 0.354) 0.638 4.391 ( 0.120 -1.798 5.404) 5.697 4.391 ( 0.120 1.798 5.404) 5.697 4.499 ( -1.807 -1.459 3.046) 3.830 4.499 ( -1.807 1.459 3.046) 3.830 4.533 ( -0.842 -2.834 4.568) 5.441 4.533 ( -0.842 2.834 4.568) 5.441 4.609 ( -2.681 -0.549 6.239) 6.812 4.609 ( -2.681 0.549 6.239) 6.812 4.782 ( -2.466 -1.821 0.214) 3.073 4.782 ( -2.466 1.821 0.214) 3.073 4.819 ( -1.490 -1.790 0.710) 2.435 4.819 ( -1.490 1.790 0.710) 2.435 4.931 ( 2.741 -1.039 3.676) 4.701 4.931 ( 2.741 1.039 3.676) 4.701 5.046 ( 0.645 -2.321 2.155) 3.233 5.046 ( 0.645 2.321 2.155) 3.233 5.108 ( -1.709 -2.620 4.088) 5.148 5.108 ( -1.709 2.620 4.088) 5.148 5.184 ( -1.288 -3.221 7.136) 7.934 5.184 ( -1.288 3.221 7.136) 7.934 5.359 ( 1.132 -1.134 -0.604) 1.713 5.359 ( 1.132 1.134 -0.604) 1.713 5.513 ( -1.197 -1.733 -9.430) 9.663 5.513 ( -1.197 1.733 -9.430) 9.663 5.580 ( 6.928 -2.602 -7.508) 10.542 5.580 ( 6.928 2.602 -7.508) 10.542 5.698 ( 2.191 -1.996 -5.363) 6.128 5.698 ( 2.191 1.996 -5.363) 6.128 5.814 ( 9.252 -1.883 1.755) 9.603 5.814 ( 9.252 1.883 1.755) 9.603 5.948 ( -2.190 -1.330 -0.275) 2.577 5.948 ( -2.190 1.330 -0.275) 2.577 6.086 ( 11.201 -4.060 1.107) 11.965 6.086 ( 11.201 4.060 1.107) 11.965 6.237 ( 11.672 -4.717 -3.761) 13.139 6.237 ( 11.672 4.717 -3.761) 13.139 6.353 ( 8.183 -3.259 -0.651) 8.832 6.353 ( 8.183 3.259 -0.651) 8.832 6.449 ( 2.282 -1.260 -4.451) 5.158 6.449 ( 2.282 1.260 -4.451) 5.158 6.641 ( 0.115 -0.781 4.303) 4.374 6.641 ( 0.115 0.781 4.303) 4.374 6.795 ( -0.844 -0.538 -2.469) 2.664 6.795 ( -0.844 0.538 -2.469) 2.664 7.273 ( -7.115 -2.722 0.399) 7.628 7.273 ( -7.115 2.722 0.399) 7.628 7.310 ( -6.434 -2.196 -0.984) 6.870 7.310 ( -6.434 2.196 -0.984) 6.870 8.467 ( 0.069 -0.251 0.464) 0.532 8.467 ( 0.069 0.251 0.464) 0.532 8.473 ( -0.125 -0.418 0.416) 0.603 8.473 ( -0.125 0.418 0.416) 0.603 8.568 ( 0.069 -1.034 -0.146) 1.046 8.568 ( 0.069 1.034 -0.146) 1.046 8.612 ( -1.323 -1.635 -2.526) 3.286 8.612 ( -1.323 1.635 -2.526) 3.286 8.913 ( 0.448 -0.449 0.180) 0.659 8.913 ( 0.448 0.449 0.180) 0.659 8.931 ( 0.191 -0.614 -0.169) 0.665 8.931 ( 0.191 0.614 -0.169) 0.665 8.963 ( -0.147 -1.952 0.589) 2.044 8.963 ( -0.147 1.952 0.589) 2.044 8.986 ( -0.590 -2.283 0.518) 2.414 8.986 ( -0.590 2.283 0.518) 2.414 9.135 ( 2.187 -0.149 4.800) 5.277 9.135 ( 2.187 0.149 4.800) 5.277 9.300 ( -1.423 -0.679 3.492) 3.832 9.300 ( -1.423 0.679 3.492) 3.832 9.356 ( 4.814 -1.348 -0.774) 5.059 9.356 ( 4.814 1.348 -0.774) 5.059 9.620 ( 0.835 -1.744 -4.954) 5.318 9.620 ( 0.835 1.744 -4.954) 5.318 9.698 ( -0.726 -2.069 0.847) 2.350 9.698 ( -0.726 2.069 0.847) 2.350 9.722 ( -0.735 -2.114 3.538) 4.187 9.722 ( -0.735 2.114 3.538) 4.187 9.828 ( 0.071 -2.180 1.155) 2.468 9.828 ( 0.071 2.180 1.155) 2.468 9.904 ( 0.109 -1.800 -1.133) 2.129 9.904 ( 0.109 1.800 -1.133) 2.129 9.938 ( -0.287 -2.466 -0.560) 2.546 9.938 ( -0.287 2.466 -0.560) 2.546 10.043 ( -1.189 -2.585 -2.919) 4.077 10.043 ( -1.189 2.585 -2.919) 4.077 10.200 ( -0.148 -1.572 -2.220) 2.724 10.200 ( -0.148 1.572 -2.220) 2.724 10.234 ( -0.736 -1.870 -4.068) 4.537 10.234 ( -0.736 1.870 -4.068) 4.537 10.418 ( -0.134 -1.660 3.083) 3.505 10.418 ( -0.134 1.660 3.083) 3.505 10.477 ( -0.421 -0.730 0.458) 0.959 10.477 ( -0.421 0.730 0.458) 0.959 10.499 ( 0.784 -0.795 0.211) 1.137 10.499 ( 0.784 0.795 0.211) 1.137 10.542 ( -0.452 -0.719 -0.890) 1.230 10.542 ( -0.452 0.719 -0.890) 1.230 10.636 ( 1.716 -3.243 1.665) 4.029 10.636 ( 1.716 3.243 1.665) 4.029 10.706 ( -0.887 -2.204 -0.670) 2.468 10.706 ( -0.887 2.204 -0.670) 2.468 10.772 ( 1.402 -2.260 1.309) 2.964 10.772 ( 1.402 2.260 1.309) 2.964 10.812 ( 0.167 -3.561 0.108) 3.566 10.812 ( 0.167 3.561 0.108) 3.566 10.933 ( 1.903 -1.929 0.367) 2.734 10.933 ( 1.903 1.929 0.367) 2.734 10.941 ( 0.692 -1.571 0.182) 1.726 10.941 ( 0.692 1.571 0.182) 1.726 11.016 ( -1.517 -4.714 1.261) 5.110 11.016 ( -1.517 4.714 1.261) 5.110 11.184 ( -4.866 -3.276 -6.061) 8.435 11.184 ( -4.866 3.276 -6.061) 8.435 ======================= Grid point 39 (18/27) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 2.949 -2.024 4.409) 5.677 0.830 ( 2.949 2.024 4.409) 5.677 0.856 ( 0.322 -0.926 4.765) 4.865 0.856 ( 0.322 0.926 4.765) 4.865 0.982 ( 0.003 -1.735 2.258) 2.848 0.982 ( 0.003 1.735 2.258) 2.848 0.998 ( -1.451 -3.253 3.998) 5.355 0.998 ( -1.451 3.253 3.998) 5.355 1.120 ( 0.612 -1.600 -3.527) 3.921 1.120 ( 0.612 1.600 -3.527) 3.921 1.146 ( -1.569 -1.051 -3.025) 3.566 1.146 ( -1.569 1.051 -3.025) 3.566 1.171 ( 1.616 -1.749 -0.475) 2.429 1.171 ( 1.616 1.749 -0.475) 2.429 1.203 ( -1.461 -2.044 -0.513) 2.564 1.203 ( -1.461 2.044 -0.513) 2.564 1.255 ( 0.822 -1.642 -0.731) 1.976 1.255 ( 0.822 1.642 -0.731) 1.976 1.269 ( -0.554 -1.675 -0.522) 1.840 1.269 ( -0.554 1.675 -0.522) 1.840 1.323 ( 1.145 -0.939 -2.217) 2.665 1.323 ( 1.145 0.939 -2.217) 2.665 1.339 ( -0.281 -1.761 -2.370) 2.966 1.339 ( -0.281 1.761 -2.370) 2.966 1.388 ( 0.969 -0.530 0.185) 1.120 1.388 ( 0.969 0.530 0.185) 1.120 1.409 ( -1.264 -0.478 0.513) 1.445 1.409 ( -1.264 0.478 0.513) 1.445 1.450 ( 0.692 -0.848 -0.275) 1.129 1.450 ( 0.692 0.848 -0.275) 1.129 1.468 ( -0.965 -0.612 -0.469) 1.235 1.468 ( -0.965 0.612 -0.469) 1.235 1.656 ( 6.417 -4.049 4.069) 8.610 1.656 ( 6.417 4.049 4.069) 8.610 1.733 ( 0.405 -2.985 1.471) 3.352 1.733 ( 0.405 2.985 1.471) 3.352 1.809 ( 3.866 -0.651 2.859) 4.852 1.809 ( 3.866 0.651 2.859) 4.852 1.850 ( -0.079 -0.892 -0.921) 1.284 1.850 ( -0.079 0.892 -0.921) 1.284 1.881 ( 3.107 -1.138 1.206) 3.522 1.881 ( 3.107 1.138 1.206) 3.522 1.929 ( -1.077 -0.858 2.229) 2.620 1.929 ( -1.077 0.858 2.229) 2.620 2.022 ( 1.683 -0.671 2.363) 2.978 2.022 ( 1.683 0.671 2.363) 2.978 2.065 ( -1.132 -1.602 0.833) 2.132 2.065 ( -1.132 1.602 0.833) 2.132 2.131 ( -0.108 -1.659 0.255) 1.682 2.131 ( -0.108 1.659 0.255) 1.682 2.150 ( -0.526 -2.568 2.441) 3.581 2.150 ( -0.526 2.568 2.441) 3.581 2.239 ( 0.358 -1.369 1.668) 2.187 2.239 ( 0.358 1.369 1.668) 2.187 2.296 ( -3.688 -0.599 -0.231) 3.743 2.296 ( -3.688 0.599 -0.231) 3.743 2.389 ( 4.604 -1.194 -2.599) 5.420 2.389 ( 4.604 1.194 -2.599) 5.420 2.481 ( -4.658 -0.956 0.437) 4.775 2.481 ( -4.658 0.956 0.437) 4.775 2.684 ( 5.260 -0.559 1.244) 5.434 2.684 ( 5.260 0.559 1.244) 5.434 2.762 ( -2.706 -1.318 -0.534) 3.057 2.762 ( -2.706 1.318 -0.534) 3.057 2.859 ( 1.435 -3.666 0.123) 3.939 2.859 ( 1.435 3.666 0.123) 3.939 2.897 ( -1.454 -1.633 -0.064) 2.187 2.897 ( -1.454 1.633 -0.064) 2.187 3.070 ( 1.975 -1.715 -2.004) 3.296 3.070 ( 1.975 1.715 -2.004) 3.296 3.105 ( -1.789 -2.064 -1.413) 3.076 3.105 ( -1.789 2.064 -1.413) 3.076 3.200 ( 3.427 -1.417 -3.804) 5.312 3.200 ( 3.427 1.417 -3.804) 5.312 3.237 ( -1.021 -1.059 -0.821) 1.685 3.237 ( -1.021 1.059 -0.821) 1.685 3.283 ( 0.925 -2.153 2.647) 3.535 3.283 ( 0.925 2.153 2.647) 3.535 3.349 ( -4.717 -3.011 2.699) 6.213 3.349 ( -4.717 3.011 2.699) 6.213 3.450 ( 0.317 -0.639 -1.329) 1.508 3.450 ( 0.317 0.639 -1.329) 1.508 3.477 ( -2.007 -1.271 0.115) 2.379 3.477 ( -2.007 1.271 0.115) 2.379 3.582 ( 1.717 -1.533 0.734) 2.416 3.582 ( 1.717 1.533 0.734) 2.416 3.639 ( -2.307 -0.817 1.260) 2.753 3.639 ( -2.307 0.817 1.260) 2.753 3.737 ( 1.557 -1.276 -1.866) 2.745 3.737 ( 1.557 1.276 -1.866) 2.745 3.776 ( -0.735 -0.713 -1.160) 1.548 3.776 ( -0.735 0.713 -1.160) 1.548 3.892 ( 0.881 -2.575 -1.104) 2.936 3.892 ( 0.881 2.575 -1.104) 2.936 3.911 ( -2.062 -0.644 -1.426) 2.589 3.911 ( -2.062 0.644 -1.426) 2.589 4.104 ( 1.091 -2.564 2.751) 3.915 4.104 ( 1.091 2.564 2.751) 3.915 4.136 ( -1.757 -2.152 2.571) 3.786 4.136 ( -1.757 2.152 2.571) 3.786 4.198 ( 3.766 -1.883 0.653) 4.261 4.198 ( 3.766 1.883 0.653) 4.261 4.274 ( -3.868 -1.552 0.788) 4.242 4.274 ( -3.868 1.552 0.788) 4.242 4.416 ( 1.921 -1.049 5.848) 6.244 4.416 ( 1.921 1.049 5.848) 6.244 4.457 ( -2.515 -1.177 5.600) 6.251 4.457 ( -2.515 1.177 5.600) 6.251 4.534 ( 1.627 -0.512 3.382) 3.787 4.534 ( 1.627 0.512 3.382) 3.787 4.574 ( -1.989 -1.112 3.326) 4.032 4.574 ( -1.989 1.112 3.326) 4.032 4.755 ( 0.042 -2.371 1.267) 2.689 4.755 ( 0.042 2.371 1.267) 2.689 4.781 ( -2.265 -2.653 1.649) 3.859 4.781 ( -2.265 2.653 1.649) 3.859 4.982 ( 2.611 -0.758 2.145) 3.463 4.982 ( 2.611 0.758 2.145) 3.463 5.025 ( -2.188 -0.884 1.839) 2.992 5.025 ( -2.188 0.884 1.839) 2.992 5.132 ( 2.862 -0.697 4.823) 5.651 5.132 ( 2.862 0.697 4.823) 5.651 5.171 ( -1.100 -0.897 6.546) 6.698 5.171 ( -1.100 0.897 6.546) 6.698 5.387 ( 2.379 -0.970 -3.599) 4.422 5.387 ( 2.379 0.970 -3.599) 4.422 5.450 ( -4.251 -0.899 -6.909) 8.162 5.450 ( -4.251 0.899 -6.909) 8.162 5.664 ( 2.506 -0.774 -9.075) 9.447 5.664 ( 2.506 0.774 -9.075) 9.447 5.696 ( -1.137 -1.249 -8.557) 8.722 5.696 ( -1.137 1.249 -8.557) 8.722 5.891 ( 1.765 -0.638 0.529) 1.950 5.891 ( 1.765 0.638 0.529) 1.950 5.918 ( -1.403 -1.057 0.014) 1.757 5.918 ( -1.403 1.057 0.014) 1.757 6.352 ( 9.690 -3.356 0.943) 10.298 6.352 ( 9.690 3.356 0.943) 10.298 6.417 ( 2.401 -1.405 -1.055) 2.975 6.417 ( 2.401 1.405 -1.055) 2.975 6.508 ( 6.287 -2.899 -2.872) 7.495 6.508 ( 6.287 2.899 -2.872) 7.495 6.528 ( 4.894 -2.155 -2.863) 6.066 6.528 ( 4.894 2.155 -2.863) 6.066 6.731 ( 13.357 -1.514 3.241) 13.828 6.731 ( 13.357 1.514 3.241) 13.828 6.833 ( 7.453 -1.399 -0.848) 7.630 6.833 ( 7.453 1.399 -0.848) 7.630 7.076 ( -13.512 -3.176 0.061) 13.880 7.076 ( -13.512 3.176 0.061) 13.880 7.125 ( -13.457 -2.878 -1.554) 13.849 7.125 ( -13.457 2.878 -1.554) 13.849 8.469 ( 0.058 -0.298 0.350) 0.463 8.469 ( 0.058 0.298 0.350) 0.463 8.470 ( -0.126 -0.419 0.334) 0.550 8.470 ( -0.126 0.419 0.334) 0.550 8.573 ( 0.565 -1.386 -0.514) 1.583 8.573 ( 0.565 1.386 -0.514) 1.583 8.589 ( -1.136 -1.413 -1.272) 2.214 8.589 ( -1.136 1.413 -1.272) 2.214 8.920 ( 0.447 -0.273 0.854) 1.002 8.920 ( 0.447 0.273 0.854) 1.002 8.929 ( -0.421 -0.438 0.890) 1.077 8.929 ( -0.421 0.438 0.890) 1.077 8.965 ( 0.467 -0.405 -0.204) 0.651 8.965 ( 0.467 0.405 -0.204) 0.651 8.975 ( -0.595 -1.294 -0.174) 1.434 8.975 ( -0.595 1.294 -0.174) 1.434 9.186 ( 3.259 -0.308 5.152) 6.104 9.186 ( 3.259 0.308 5.152) 6.104 9.248 ( -3.392 -0.290 5.192) 6.209 9.248 ( -3.392 0.290 5.192) 6.209 9.474 ( 6.772 -2.917 -4.226) 8.499 9.474 ( 6.772 2.917 -4.226) 8.499 9.582 ( -4.809 -2.913 -5.129) 7.610 9.582 ( -4.809 2.913 -5.129) 7.610 9.703 ( 1.126 -0.956 1.170) 1.884 9.703 ( 1.126 0.956 1.170) 1.884 9.718 ( -0.365 -0.658 1.166) 1.388 9.718 ( -0.365 0.658 1.166) 1.388 9.843 ( 1.807 -1.903 0.474) 2.667 9.843 ( 1.807 1.903 0.474) 2.667 9.882 ( -2.049 -1.928 -1.364) 3.127 9.882 ( -2.049 1.928 -1.364) 3.127 9.961 ( 2.283 -3.189 0.308) 3.935 9.961 ( 2.283 3.189 0.308) 3.935 10.008 ( -2.593 -2.313 -0.732) 3.551 10.008 ( -2.593 2.313 -0.732) 3.551 10.199 ( 0.329 -1.383 -2.858) 3.192 10.199 ( 0.329 1.383 -2.858) 3.192 10.215 ( -1.233 -0.485 -3.656) 3.888 10.215 ( -1.233 0.485 -3.656) 3.888 10.431 ( 1.453 -1.496 2.774) 3.470 10.431 ( 1.453 1.496 2.774) 3.470 10.460 ( -1.457 -1.647 1.917) 2.917 10.460 ( -1.457 1.647 1.917) 2.917 10.515 ( 0.939 -0.750 -0.969) 1.544 10.515 ( 0.939 0.750 -0.969) 1.544 10.531 ( -0.762 -0.957 -1.052) 1.614 10.531 ( -0.762 0.957 -1.052) 1.614 10.669 ( 1.693 -3.970 1.307) 4.509 10.669 ( 1.693 3.970 1.307) 4.509 10.692 ( -0.860 -2.951 0.513) 3.116 10.692 ( -0.860 2.951 0.513) 3.116 10.793 ( 1.041 -1.154 0.904) 1.798 10.793 ( 1.041 1.154 0.904) 1.798 10.809 ( -0.604 -3.587 0.421) 3.661 10.809 ( -0.604 3.587 0.421) 3.661 10.955 ( 1.172 -2.384 0.440) 2.692 10.955 ( 1.172 2.384 0.440) 2.692 10.980 ( -0.615 -3.022 0.480) 3.121 10.980 ( -0.615 3.022 0.480) 3.121 10.996 ( 3.097 -2.329 -0.715) 3.941 10.996 ( 3.097 2.329 -0.715) 3.941 11.084 ( -5.599 -3.604 -3.227) 7.399 11.084 ( -5.599 3.604 -3.227) 7.399 ======================= Grid point 50 (19/27) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 0.000 0.000 -13.090) 13.090 0.725 ( 0.000 0.000 13.090) 13.090 0.778 ( 0.000 0.000 -14.060) 14.060 0.778 ( 0.000 0.000 14.060) 14.060 1.018 ( 0.000 0.000 -3.924) 3.924 1.018 ( 0.000 0.000 3.924) 3.924 1.076 ( 0.000 0.000 -5.166) 5.166 1.076 ( 0.000 0.000 5.166) 5.166 1.151 ( 0.000 0.000 -4.609) 4.609 1.151 ( 0.000 0.000 4.609) 4.609 1.180 ( 0.000 0.000 -0.915) 0.915 1.180 ( 0.000 0.000 0.915) 0.915 1.187 ( 0.000 0.000 -0.388) 0.388 1.187 ( 0.000 0.000 0.388) 0.388 1.221 ( 0.000 0.000 -1.377) 1.377 1.221 ( 0.000 0.000 1.377) 1.377 1.267 ( 0.000 0.000 -0.195) 0.195 1.267 ( 0.000 0.000 0.195) 0.195 1.275 ( 0.000 0.000 -0.653) 0.653 1.275 ( 0.000 0.000 0.653) 0.653 1.296 ( 0.000 0.000 -4.257) 4.257 1.296 ( 0.000 0.000 4.257) 4.257 1.310 ( 0.000 0.000 -2.385) 2.385 1.310 ( 0.000 0.000 2.385) 2.385 1.357 ( 0.000 0.000 -4.227) 4.227 1.357 ( 0.000 0.000 4.227) 4.227 1.398 ( 0.000 0.000 -0.297) 0.297 1.398 ( 0.000 0.000 0.297) 0.297 1.463 ( 0.000 0.000 -13.739) 13.739 1.463 ( 0.000 0.000 13.739) 13.739 1.511 ( 0.000 0.000 -1.561) 1.561 1.511 ( 0.000 0.000 1.561) 1.561 1.579 ( 0.000 0.000 -3.327) 3.327 1.579 ( 0.000 0.000 3.327) 3.327 1.638 ( 0.000 0.000 -2.897) 2.897 1.638 ( 0.000 0.000 2.897) 2.897 1.708 ( 0.000 0.000 -4.183) 4.183 1.708 ( 0.000 0.000 4.183) 4.183 1.800 ( 0.000 0.000 -4.020) 4.020 1.800 ( 0.000 0.000 4.020) 4.020 1.803 ( 0.000 0.000 -4.656) 4.656 1.803 ( 0.000 0.000 4.656) 4.656 1.997 ( 0.000 0.000 -7.858) 7.858 1.997 ( 0.000 0.000 7.858) 7.858 2.023 ( 0.000 0.000 -8.909) 8.909 2.023 ( 0.000 0.000 8.909) 8.909 2.094 ( 0.000 0.000 -1.331) 1.331 2.094 ( 0.000 0.000 1.331) 1.331 2.145 ( 0.000 0.000 -1.955) 1.955 2.145 ( 0.000 0.000 1.955) 1.955 2.224 ( 0.000 0.000 -3.183) 3.183 2.224 ( 0.000 0.000 3.183) 3.183 2.323 ( 0.000 0.000 -4.014) 4.014 2.323 ( 0.000 0.000 4.014) 4.014 2.348 ( 0.000 0.000 -2.399) 2.399 2.348 ( 0.000 0.000 2.399) 2.399 2.443 ( 0.000 0.000 -6.708) 6.708 2.443 ( 0.000 0.000 6.708) 6.708 2.448 ( 0.000 0.000 -9.632) 9.632 2.448 ( 0.000 0.000 9.632) 9.632 2.663 ( 0.000 0.000 -5.161) 5.161 2.663 ( 0.000 0.000 5.161) 5.161 2.676 ( 0.000 0.000 -7.585) 7.585 2.676 ( 0.000 0.000 7.585) 7.585 2.811 ( 0.000 0.000 -2.610) 2.610 2.811 ( 0.000 0.000 2.610) 2.610 2.866 ( 0.000 0.000 -3.943) 3.943 2.866 ( 0.000 0.000 3.943) 3.943 2.900 ( 0.000 0.000 -4.805) 4.805 2.900 ( 0.000 0.000 4.805) 4.805 3.067 ( 0.000 0.000 -0.191) 0.191 3.067 ( 0.000 0.000 0.191) 0.191 3.232 ( 0.000 0.000 -0.974) 0.974 3.232 ( 0.000 0.000 0.974) 0.974 3.273 ( 0.000 0.000 -2.675) 2.675 3.273 ( 0.000 0.000 2.675) 2.675 3.333 ( 0.000 0.000 -0.878) 0.878 3.333 ( 0.000 0.000 0.878) 0.878 3.355 ( 0.000 0.000 -1.110) 1.110 3.355 ( 0.000 0.000 1.110) 1.110 3.399 ( 0.000 0.000 -2.949) 2.949 3.399 ( 0.000 0.000 2.949) 2.949 3.516 ( 0.000 0.000 -1.388) 1.388 3.516 ( 0.000 0.000 1.388) 1.388 3.617 ( 0.000 0.000 -3.109) 3.109 3.617 ( 0.000 0.000 3.109) 3.109 3.713 ( 0.000 0.000 -0.925) 0.925 3.713 ( 0.000 0.000 0.925) 0.925 3.775 ( 0.000 0.000 -4.999) 4.999 3.775 ( 0.000 0.000 4.999) 4.999 3.841 ( 0.000 0.000 -7.072) 7.072 3.841 ( 0.000 0.000 7.072) 7.072 3.881 ( 0.000 0.000 -5.343) 5.343 3.881 ( 0.000 0.000 5.343) 5.343 3.936 ( 0.000 0.000 -1.928) 1.928 3.936 ( 0.000 0.000 1.928) 1.928 4.012 ( 0.000 0.000 -4.824) 4.824 4.012 ( 0.000 0.000 4.824) 4.824 4.121 ( 0.000 0.000 -3.118) 3.118 4.121 ( 0.000 0.000 3.118) 3.118 4.241 ( 0.000 0.000 -3.179) 3.179 4.241 ( 0.000 0.000 3.179) 3.179 4.310 ( 0.000 0.000 -3.236) 3.236 4.310 ( 0.000 0.000 3.236) 3.236 4.493 ( 0.000 0.000 -0.960) 0.960 4.493 ( 0.000 0.000 0.960) 0.960 4.573 ( 0.000 0.000 -3.434) 3.434 4.573 ( 0.000 0.000 3.434) 3.434 4.691 ( 0.000 0.000 -6.224) 6.224 4.691 ( 0.000 0.000 6.224) 6.224 4.718 ( 0.000 0.000 -2.211) 2.211 4.718 ( 0.000 0.000 2.211) 2.211 4.791 ( 0.000 0.000 -2.817) 2.817 4.791 ( 0.000 0.000 2.817) 2.817 4.816 ( 0.000 0.000 -4.218) 4.218 4.816 ( 0.000 0.000 4.218) 4.218 5.055 ( 0.000 0.000 -14.362) 14.362 5.055 ( 0.000 0.000 14.362) 14.362 5.078 ( 0.000 0.000 -13.109) 13.109 5.078 ( 0.000 0.000 13.109) 13.109 5.157 ( 0.000 0.000 -10.693) 10.693 5.157 ( 0.000 0.000 10.693) 10.693 5.185 ( 0.000 0.000 -3.396) 3.396 5.185 ( 0.000 0.000 3.396) 3.396 5.356 ( 0.000 0.000 -7.847) 7.847 5.356 ( 0.000 0.000 7.847) 7.847 5.428 ( 0.000 0.000 -4.998) 4.998 5.428 ( 0.000 0.000 4.998) 4.998 5.530 ( 0.000 0.000 -13.914) 13.914 5.530 ( 0.000 0.000 13.914) 13.914 5.589 ( 0.000 0.000 -10.176) 10.176 5.589 ( 0.000 0.000 10.176) 10.176 5.598 ( 0.000 0.000 -8.870) 8.870 5.598 ( 0.000 0.000 8.870) 8.870 6.004 ( 0.000 0.000 -2.885) 2.885 6.004 ( 0.000 0.000 2.885) 2.885 6.044 ( 0.000 0.000 -0.467) 0.467 6.044 ( 0.000 0.000 0.467) 0.467 6.116 ( 0.000 0.000 -4.466) 4.466 6.116 ( 0.000 0.000 4.466) 4.466 6.301 ( 0.000 0.000 -3.006) 3.006 6.301 ( 0.000 0.000 3.006) 3.006 6.368 ( 0.000 0.000 -2.130) 2.130 6.368 ( 0.000 0.000 2.130) 2.130 6.722 ( 0.000 0.000 -3.668) 3.668 6.722 ( 0.000 0.000 3.668) 3.668 6.722 ( 0.000 0.000 -3.972) 3.972 6.722 ( 0.000 0.000 3.972) 3.972 7.306 ( 0.000 0.000 -0.720) 0.720 7.306 ( 0.000 0.000 0.720) 0.720 7.395 ( 0.000 0.000 -0.522) 0.522 7.395 ( 0.000 0.000 0.522) 0.522 8.470 ( 0.000 0.000 -0.671) 0.671 8.470 ( 0.000 0.000 0.671) 0.671 8.507 ( 0.000 0.000 -1.113) 1.113 8.507 ( 0.000 0.000 1.113) 1.113 8.551 ( 0.000 0.000 -1.037) 1.037 8.551 ( 0.000 0.000 1.037) 1.037 8.566 ( 0.000 0.000 -0.525) 0.525 8.566 ( 0.000 0.000 0.525) 0.525 8.886 ( 0.000 0.000 -0.120) 0.120 8.886 ( 0.000 0.000 0.120) 0.120 8.914 ( 0.000 0.000 -0.711) 0.711 8.914 ( 0.000 0.000 0.711) 0.711 8.919 ( 0.000 0.000 -0.256) 0.256 8.919 ( 0.000 0.000 0.256) 0.256 9.022 ( 0.000 0.000 -0.036) 0.036 9.022 ( 0.000 0.000 0.036) 0.036 9.202 ( 0.000 0.000 -3.985) 3.985 9.202 ( 0.000 0.000 3.985) 3.985 9.253 ( 0.000 0.000 -0.280) 0.280 9.253 ( 0.000 0.000 0.280) 0.280 9.470 ( 0.000 0.000 -4.947) 4.947 9.470 ( 0.000 0.000 4.947) 4.947 9.513 ( 0.000 0.000 -7.794) 7.794 9.513 ( 0.000 0.000 7.794) 7.794 9.728 ( 0.000 0.000 -3.442) 3.442 9.728 ( 0.000 0.000 3.442) 3.442 9.789 ( 0.000 0.000 -6.898) 6.898 9.789 ( 0.000 0.000 6.898) 6.898 9.800 ( 0.000 0.000 -0.041) 0.041 9.800 ( 0.000 0.000 0.041) 0.041 9.839 ( 0.000 0.000 -4.057) 4.057 9.839 ( 0.000 0.000 4.057) 4.057 9.980 ( 0.000 0.000 -1.988) 1.988 9.980 ( 0.000 0.000 1.988) 1.988 10.100 ( 0.000 0.000 -1.328) 1.328 10.100 ( 0.000 0.000 1.328) 1.328 10.243 ( 0.000 0.000 -2.456) 2.456 10.243 ( 0.000 0.000 2.456) 2.456 10.251 ( 0.000 0.000 -0.186) 0.186 10.251 ( 0.000 0.000 0.186) 0.186 10.388 ( 0.000 0.000 -2.418) 2.418 10.388 ( 0.000 0.000 2.418) 2.418 10.494 ( 0.000 0.000 -1.406) 1.406 10.494 ( 0.000 0.000 1.406) 1.406 10.530 ( 0.000 0.000 -1.512) 1.512 10.530 ( 0.000 0.000 1.512) 1.512 10.560 ( 0.000 0.000 -3.746) 3.746 10.560 ( 0.000 0.000 3.746) 3.746 10.598 ( 0.000 0.000 -0.168) 0.168 10.598 ( 0.000 0.000 0.168) 0.168 10.645 ( 0.000 0.000 -0.364) 0.364 10.645 ( 0.000 0.000 0.364) 0.364 10.728 ( 0.000 0.000 -0.618) 0.618 10.728 ( 0.000 0.000 0.618) 0.618 10.766 ( 0.000 0.000 -1.334) 1.334 10.766 ( 0.000 0.000 1.334) 1.334 10.907 ( 0.000 0.000 -0.491) 0.491 10.907 ( 0.000 0.000 0.491) 0.491 10.929 ( 0.000 0.000 -1.722) 1.722 10.929 ( 0.000 0.000 1.722) 1.722 10.968 ( 0.000 0.000 -1.288) 1.288 10.968 ( 0.000 0.000 1.288) 1.288 11.196 ( 0.000 0.000 -0.012) 0.012 11.196 ( 0.000 0.000 0.012) 0.012 ======================= Grid point 52 (20/27) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 5.128 0.000 -10.585) 11.762 0.775 ( 5.128 0.000 10.585) 11.762 0.842 ( 5.559 0.000 -11.376) 12.662 0.842 ( 5.559 0.000 11.376) 12.662 0.993 ( -2.343 0.000 -3.086) 3.875 0.993 ( -2.343 0.000 3.086) 3.875 1.058 ( -1.411 0.000 -3.829) 4.081 1.058 ( -1.411 0.000 3.829) 4.081 1.115 ( -2.509 0.000 -6.286) 6.768 1.115 ( -2.509 0.000 6.286) 6.768 1.167 ( -0.206 0.000 -1.995) 2.005 1.167 ( -0.206 0.000 1.995) 2.005 1.204 ( 1.207 0.000 -1.900) 2.251 1.204 ( 1.207 0.000 1.900) 2.251 1.215 ( -2.260 0.000 -0.550) 2.326 1.215 ( -2.260 0.000 0.550) 2.326 1.249 ( -1.424 0.000 -0.482) 1.503 1.249 ( -1.424 0.000 0.482) 1.503 1.279 ( 1.918 0.000 -1.233) 2.280 1.279 ( 1.918 0.000 1.233) 2.280 1.317 ( 1.550 0.000 -1.405) 2.092 1.317 ( 1.550 0.000 1.405) 2.092 1.366 ( 3.891 0.000 -1.614) 4.212 1.366 ( 3.891 0.000 1.614) 4.212 1.400 ( 0.884 0.000 -0.001) 0.884 1.400 ( 0.884 0.000 0.001) 0.884 1.431 ( 5.695 0.000 -3.410) 6.638 1.431 ( 5.695 0.000 3.410) 6.638 1.473 ( -0.226 0.000 -4.377) 4.383 1.473 ( -0.226 0.000 4.377) 4.383 1.505 ( -1.231 0.000 -0.183) 1.245 1.505 ( -1.231 0.000 0.183) 1.245 1.629 ( 5.938 0.000 -8.374) 10.266 1.629 ( 5.938 0.000 8.374) 10.266 1.650 ( 2.218 0.000 -4.304) 4.842 1.650 ( 2.218 0.000 4.304) 4.842 1.745 ( 2.326 0.000 -4.916) 5.438 1.745 ( 2.326 0.000 4.916) 5.438 1.793 ( -0.356 0.000 -4.502) 4.516 1.793 ( -0.356 0.000 4.502) 4.516 1.808 ( 2.114 0.000 -3.420) 4.021 1.808 ( 2.114 0.000 3.420) 4.021 1.975 ( -2.995 0.000 -3.646) 4.718 1.975 ( -2.995 0.000 3.646) 4.718 2.027 ( 0.732 0.000 -7.120) 7.158 2.027 ( 0.732 0.000 7.120) 7.158 2.098 ( -0.699 0.000 -1.086) 1.292 2.098 ( -0.699 0.000 1.086) 1.292 2.119 ( -1.165 0.000 -1.533) 1.926 2.119 ( -1.165 0.000 1.533) 1.926 2.199 ( -2.239 0.000 -1.614) 2.760 2.199 ( -2.239 0.000 1.614) 2.760 2.284 ( -3.944 0.000 -4.002) 5.619 2.284 ( -3.944 0.000 4.002) 5.619 2.331 ( -2.309 0.000 -0.096) 2.311 2.331 ( -2.309 0.000 0.096) 2.311 2.426 ( -0.546 0.000 -0.050) 0.548 2.426 ( -0.546 0.000 0.050) 0.548 2.466 ( 0.607 0.000 -1.653) 1.761 2.466 ( 0.607 0.000 1.653) 1.761 2.677 ( 1.720 0.000 -0.414) 1.769 2.677 ( 1.720 0.000 0.414) 1.769 2.724 ( 3.792 0.000 -8.632) 9.429 2.724 ( 3.792 0.000 8.632) 9.429 2.805 ( -0.276 0.000 -2.855) 2.868 2.805 ( -0.276 0.000 2.855) 2.868 2.888 ( 1.234 0.000 -2.140) 2.470 2.888 ( 1.234 0.000 2.140) 2.470 2.925 ( 3.831 0.000 -0.199) 3.837 2.925 ( 3.831 0.000 0.199) 3.837 3.081 ( 1.322 0.000 -0.770) 1.530 3.081 ( 1.322 0.000 0.770) 1.530 3.200 ( -1.949 0.000 -1.205) 2.291 3.200 ( -1.949 0.000 1.205) 2.291 3.293 ( 1.320 0.000 -3.068) 3.340 3.293 ( 1.320 0.000 3.068) 3.340 3.311 ( -1.479 0.000 -2.838) 3.201 3.311 ( -1.479 0.000 2.838) 3.201 3.385 ( 0.963 0.000 -0.521) 1.095 3.385 ( 0.963 0.000 0.521) 1.095 3.416 ( 2.225 0.000 -1.810) 2.868 3.416 ( 2.225 0.000 1.810) 2.868 3.489 ( -2.059 0.000 -0.131) 2.063 3.489 ( -2.059 0.000 0.131) 2.063 3.636 ( 0.960 0.000 -2.787) 2.947 3.636 ( 0.960 0.000 2.787) 2.947 3.683 ( -3.312 0.000 -3.486) 4.808 3.683 ( -3.312 0.000 3.486) 4.808 3.747 ( -0.566 0.000 -2.567) 2.628 3.747 ( -0.566 0.000 2.567) 2.628 3.770 ( -5.658 0.000 -4.721) 7.369 3.770 ( -5.658 0.000 4.721) 7.369 3.897 ( -0.703 0.000 -1.814) 1.945 3.897 ( -0.703 0.000 1.814) 1.945 3.926 ( -0.191 0.000 -0.116) 0.224 3.926 ( -0.191 0.000 0.116) 0.224 4.070 ( 4.078 0.000 -5.569) 6.902 4.070 ( 4.078 0.000 5.569) 6.902 4.125 ( 0.749 0.000 -3.543) 3.622 4.125 ( 0.749 0.000 3.543) 3.622 4.264 ( -0.281 0.000 -4.246) 4.256 4.264 ( -0.281 0.000 4.246) 4.256 4.271 ( -1.691 0.000 -1.059) 1.996 4.271 ( -1.691 0.000 1.059) 1.996 4.480 ( -0.341 0.000 -1.190) 1.238 4.480 ( -0.341 0.000 1.190) 1.238 4.585 ( 1.117 0.000 -2.846) 3.057 4.585 ( 1.117 0.000 2.846) 3.057 4.678 ( -3.311 0.000 -3.288) 4.667 4.678 ( -3.311 0.000 3.288) 4.667 4.686 ( -1.869 0.000 -3.580) 4.038 4.686 ( -1.869 0.000 3.580) 4.038 4.785 ( 0.153 0.000 -0.510) 0.533 4.785 ( 0.153 0.000 0.510) 0.533 4.820 ( -0.313 0.000 -5.015) 5.025 4.820 ( -0.313 0.000 5.015) 5.025 5.007 ( -1.270 0.000 -8.995) 9.084 5.007 ( -1.270 0.000 8.995) 9.084 5.097 ( -3.209 0.000 -13.209) 13.594 5.097 ( -3.209 0.000 13.209) 13.594 5.155 ( 4.064 0.000 -9.163) 10.024 5.155 ( 4.064 0.000 9.163) 10.024 5.218 ( 0.632 0.000 -12.004) 12.021 5.218 ( 0.632 0.000 12.004) 12.021 5.364 ( 4.019 0.000 -7.196) 8.242 5.364 ( 4.019 0.000 7.196) 8.242 5.398 ( -6.455 0.000 -15.887) 17.148 5.398 ( -6.455 0.000 15.887) 17.148 5.502 ( 1.893 0.000 -9.773) 9.955 5.502 ( 1.893 0.000 9.773) 9.955 5.516 ( -3.503 0.000 -7.066) 7.886 5.516 ( -3.503 0.000 7.066) 7.886 5.821 ( 11.708 0.000 -5.247) 12.830 5.821 ( 11.708 0.000 5.247) 12.830 5.978 ( -1.158 0.000 -2.839) 3.066 5.978 ( -1.158 0.000 2.839) 3.066 6.085 ( 7.165 0.000 -1.486) 7.317 6.085 ( 7.165 0.000 1.486) 7.317 6.253 ( 10.852 0.000 -0.981) 10.896 6.253 ( 10.852 0.000 0.981) 10.896 6.317 ( 3.549 0.000 -1.661) 3.919 6.317 ( 3.549 0.000 1.661) 3.919 6.474 ( 8.116 0.000 -1.550) 8.263 6.474 ( 8.116 0.000 1.550) 8.263 6.708 ( 1.318 0.000 -3.464) 3.706 6.708 ( 1.318 0.000 3.464) 3.706 6.733 ( 0.460 0.000 -3.548) 3.578 6.733 ( 0.460 0.000 3.548) 3.578 7.238 ( -7.572 0.000 -1.129) 7.656 7.238 ( -7.572 0.000 1.129) 7.656 7.347 ( -5.683 0.000 -0.414) 5.698 7.347 ( -5.683 0.000 0.414) 5.698 8.468 ( -0.153 0.000 -0.445) 0.471 8.468 ( -0.153 0.000 0.445) 0.471 8.499 ( -0.825 0.000 -0.652) 1.051 8.499 ( -0.825 0.000 0.652) 1.051 8.551 ( 0.104 0.000 -1.139) 1.144 8.551 ( 0.104 0.000 1.139) 1.144 8.564 ( -0.185 0.000 -0.969) 0.987 8.564 ( -0.185 0.000 0.969) 0.987 8.884 ( -0.010 0.000 -0.058) 0.059 8.884 ( -0.010 0.000 0.058) 0.059 8.912 ( -0.558 0.000 -0.183) 0.587 8.912 ( -0.558 0.000 0.183) 0.587 8.931 ( 1.544 0.000 -0.445) 1.606 8.931 ( 1.544 0.000 0.445) 1.606 9.019 ( -0.439 0.000 -0.080) 0.446 9.019 ( -0.439 0.000 0.080) 0.446 9.225 ( 2.416 0.000 -0.894) 2.576 9.225 ( 2.416 0.000 0.894) 2.576 9.296 ( 4.010 0.000 -3.638) 5.414 9.296 ( 4.010 0.000 3.638) 5.414 9.451 ( -2.461 0.000 -6.456) 6.909 9.451 ( -2.461 0.000 6.456) 6.909 9.499 ( -0.993 0.000 -7.796) 7.859 9.499 ( -0.993 0.000 7.796) 7.859 9.711 ( -0.919 0.000 -0.731) 1.174 9.711 ( -0.919 0.000 0.731) 1.174 9.780 ( -2.051 0.000 -4.240) 4.710 9.780 ( -2.051 0.000 4.240) 4.710 9.814 ( 1.402 0.000 -0.095) 1.405 9.814 ( 1.402 0.000 0.095) 1.405 9.849 ( 1.830 0.000 -3.282) 3.758 9.849 ( 1.830 0.000 3.282) 3.758 9.954 ( -2.441 0.000 -1.962) 3.132 9.954 ( -2.441 0.000 1.962) 3.132 10.071 ( -4.831 0.000 -1.422) 5.036 10.071 ( -4.831 0.000 1.422) 5.036 10.184 ( 0.356 0.000 -1.992) 2.023 10.184 ( 0.356 0.000 1.992) 2.023 10.294 ( 0.924 0.000 -0.119) 0.932 10.294 ( 0.924 0.000 0.119) 0.932 10.438 ( 2.757 0.000 -0.707) 2.847 10.438 ( 2.757 0.000 0.707) 2.847 10.494 ( 1.338 0.000 -1.242) 1.826 10.494 ( 1.338 0.000 1.242) 1.826 10.505 ( -3.139 0.000 -2.222) 3.846 10.505 ( -3.139 0.000 2.222) 3.846 10.554 ( 1.900 0.000 -0.650) 2.009 10.554 ( 1.900 0.000 0.650) 2.009 10.627 ( -0.151 0.000 -0.911) 0.924 10.627 ( -0.151 0.000 0.911) 0.924 10.661 ( 1.710 0.000 -1.394) 2.206 10.661 ( 1.710 0.000 1.394) 2.206 10.721 ( -0.147 0.000 -0.491) 0.512 10.721 ( -0.147 0.000 0.491) 0.512 10.772 ( 0.382 0.000 -1.523) 1.571 10.772 ( 0.382 0.000 1.523) 1.571 10.893 ( -0.185 0.000 -0.354) 0.399 10.893 ( -0.185 0.000 0.354) 0.399 10.943 ( -0.120 0.000 -0.172) 0.210 10.943 ( -0.120 0.000 0.172) 0.210 10.990 ( 2.604 0.000 -0.117) 2.607 10.990 ( 2.604 0.000 0.117) 2.607 11.172 ( -2.547 0.000 -0.263) 2.561 11.172 ( -2.547 0.000 0.263) 2.561 ======================= Grid point 54 (21/27) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 5.111 0.000 -4.389) 6.737 0.880 ( 5.111 0.000 4.389) 6.737 0.931 ( 1.808 0.000 -6.035) 6.299 0.931 ( 1.807 0.000 6.035) 6.299 0.957 ( 0.828 0.000 -2.547) 2.678 0.957 ( 0.828 0.000 2.547) 2.678 1.026 ( -2.939 0.000 -1.752) 3.422 1.026 ( -2.939 0.000 1.752) 3.422 1.090 ( 0.311 0.000 -5.230) 5.239 1.090 ( 0.311 0.000 5.230) 5.239 1.129 ( -3.459 0.000 -3.136) 4.668 1.129 ( -3.459 0.000 3.136) 4.668 1.201 ( 0.809 0.000 -0.850) 1.173 1.201 ( 0.809 0.000 0.850) 1.173 1.222 ( -1.311 0.000 -1.146) 1.741 1.222 ( -1.311 0.000 1.146) 1.741 1.233 ( 1.835 0.000 -1.798) 2.569 1.233 ( 1.835 0.000 1.798) 2.569 1.271 ( -1.995 0.000 -1.355) 2.412 1.271 ( -1.995 0.000 1.355) 2.412 1.377 ( 3.730 0.000 -0.378) 3.749 1.377 ( 3.730 0.000 0.378) 3.749 1.414 ( 1.019 0.000 -0.519) 1.143 1.414 ( 1.019 0.000 0.519) 1.143 1.436 ( 0.537 0.000 -0.752) 0.923 1.436 ( 0.537 0.000 0.752) 0.923 1.451 ( -0.208 0.000 -0.291) 0.358 1.451 ( -0.208 0.000 0.291) 0.358 1.467 ( 0.896 0.000 -0.938) 1.297 1.467 ( 0.896 0.000 0.938) 1.297 1.516 ( -0.339 0.000 -3.536) 3.552 1.516 ( -0.339 0.000 3.536) 3.552 1.676 ( 2.266 0.000 -5.452) 5.905 1.676 ( 2.266 0.000 5.452) 5.905 1.719 ( -0.949 0.000 -4.836) 4.928 1.719 ( -0.949 0.000 4.836) 4.928 1.778 ( 4.287 0.000 -3.608) 5.604 1.778 ( 4.287 0.000 3.608) 5.604 1.846 ( 6.925 0.000 -4.907) 8.487 1.846 ( 6.925 0.000 4.907) 8.487 1.873 ( -3.278 0.000 -0.824) 3.380 1.873 ( -3.278 0.000 0.824) 3.380 1.922 ( 2.195 0.000 -4.791) 5.270 1.922 ( 2.195 0.000 4.791) 5.270 2.012 ( -2.056 0.000 -1.913) 2.809 2.012 ( -2.056 0.000 1.913) 2.809 2.080 ( -2.487 0.000 -2.319) 3.400 2.080 ( -2.487 0.000 2.319) 3.400 2.110 ( 1.726 0.000 -4.987) 5.277 2.110 ( 1.726 0.000 4.987) 5.277 2.190 ( -0.264 0.000 -0.500) 0.565 2.190 ( -0.264 0.000 0.500) 0.565 2.198 ( -2.735 0.000 -5.899) 6.502 2.198 ( -2.735 0.000 5.899) 6.502 2.263 ( -4.669 0.000 -0.629) 4.711 2.263 ( -4.669 0.000 0.629) 4.711 2.430 ( 1.009 0.000 -1.958) 2.202 2.430 ( 1.009 0.000 1.958) 2.202 2.456 ( -1.451 0.000 -0.329) 1.488 2.456 ( -1.451 0.000 0.329) 1.488 2.728 ( 3.232 0.000 -6.788) 7.519 2.728 ( 3.232 0.000 6.788) 7.519 2.763 ( -0.024 0.000 -10.217) 10.217 2.763 ( -0.024 0.000 10.217) 10.217 2.823 ( 2.503 0.000 -0.366) 2.530 2.823 ( 2.503 0.000 0.366) 2.530 2.875 ( -2.374 0.000 -2.276) 3.289 2.875 ( -2.374 0.000 2.276) 3.289 3.031 ( 6.018 0.000 -2.436) 6.493 3.031 ( 6.018 0.000 2.436) 6.493 3.099 ( -0.735 0.000 -0.006) 0.735 3.099 ( -0.735 0.000 0.006) 0.735 3.183 ( 1.400 0.000 -0.521) 1.494 3.183 ( 1.400 0.000 0.521) 1.494 3.252 ( -4.133 0.000 -1.005) 4.254 3.252 ( -4.133 0.000 1.005) 4.254 3.346 ( 3.558 0.000 -0.722) 3.630 3.346 ( 3.558 0.000 0.722) 3.630 3.402 ( -0.098 0.000 -0.867) 0.873 3.402 ( -0.098 0.000 0.867) 0.873 3.428 ( 0.141 0.000 -1.156) 1.165 3.428 ( 0.141 0.000 1.156) 1.165 3.459 ( -2.145 0.000 -2.146) 3.034 3.459 ( -2.145 0.000 2.146) 3.034 3.625 ( -0.993 0.000 -4.610) 4.716 3.625 ( -0.993 0.000 4.610) 4.716 3.667 ( 2.804 0.000 -2.065) 3.482 3.667 ( 2.804 0.000 2.065) 3.482 3.670 ( -3.765 0.000 -2.840) 4.716 3.670 ( -3.765 0.000 2.840) 4.716 3.750 ( -2.817 0.000 -2.977) 4.099 3.750 ( -2.817 0.000 2.977) 4.099 3.866 ( 0.818 0.000 -2.188) 2.336 3.866 ( 0.818 0.000 2.188) 2.336 3.914 ( -2.325 0.000 -0.551) 2.389 3.914 ( -2.325 0.000 0.551) 2.389 4.110 ( 2.266 0.000 -3.178) 3.903 4.110 ( 2.266 0.000 3.178) 3.903 4.163 ( -1.549 0.000 -4.987) 5.222 4.163 ( -1.549 0.000 4.987) 5.222 4.217 ( 2.108 0.000 -2.698) 3.424 4.217 ( 2.108 0.000 2.698) 3.424 4.273 ( -1.878 0.000 -4.248) 4.645 4.273 ( -1.878 0.000 4.248) 4.645 4.504 ( 3.061 0.000 -0.804) 3.165 4.504 ( 3.061 0.000 0.804) 3.165 4.581 ( -4.758 0.000 -0.181) 4.761 4.581 ( -4.758 0.000 0.181) 4.761 4.621 ( 1.727 0.000 -4.261) 4.597 4.621 ( 1.727 0.000 4.261) 4.597 4.659 ( -1.865 0.000 -5.314) 5.632 4.659 ( -1.865 0.000 5.314) 5.632 4.793 ( 0.532 0.000 -2.601) 2.655 4.793 ( 0.532 0.000 2.601) 2.655 4.806 ( -0.922 0.000 -3.889) 3.997 4.806 ( -0.922 0.000 3.889) 3.997 5.010 ( 1.197 0.000 -8.866) 8.946 5.010 ( 1.197 0.000 8.866) 8.946 5.044 ( -2.491 0.000 -13.669) 13.894 5.044 ( -2.491 0.000 13.669) 13.894 5.200 ( 1.727 0.000 -7.657) 7.849 5.200 ( 1.727 0.000 7.657) 7.849 5.236 ( -0.702 0.000 -11.653) 11.674 5.236 ( -0.702 0.000 11.653) 11.674 5.342 ( 2.071 0.000 -15.151) 15.291 5.342 ( 2.071 0.000 15.151) 15.291 5.425 ( -4.638 0.000 -9.745) 10.792 5.425 ( -4.638 0.000 9.745) 10.792 5.454 ( 3.254 0.000 -9.616) 10.151 5.454 ( 3.254 0.000 9.616) 10.151 5.504 ( -1.579 0.000 -10.483) 10.602 5.504 ( -1.579 0.000 10.483) 10.602 5.925 ( 2.270 0.000 -0.005) 2.270 5.925 ( 2.270 0.000 0.005) 2.270 5.956 ( -1.442 0.000 -0.336) 1.481 5.956 ( -1.442 0.000 0.336) 1.481 6.332 ( 11.698 0.000 -3.569) 12.230 6.332 ( 11.698 0.000 3.569) 12.230 6.400 ( 3.945 0.000 -1.516) 4.226 6.400 ( 3.945 0.000 1.516) 4.226 6.409 ( 6.710 0.000 -0.719) 6.748 6.409 ( 6.710 0.000 0.719) 6.748 6.522 ( -2.899 0.000 -0.591) 2.959 6.522 ( -2.899 0.000 0.591) 2.959 6.785 ( 7.981 0.000 -1.964) 8.219 6.785 ( 7.981 0.000 1.964) 8.219 6.886 ( 16.437 0.000 -0.626) 16.449 6.886 ( 16.437 0.000 0.626) 16.449 7.030 ( -14.763 0.000 -1.014) 14.798 7.030 ( -14.763 0.000 1.014) 14.798 7.175 ( -13.331 0.000 -0.616) 13.346 7.175 ( -13.331 0.000 0.616) 13.346 8.469 ( 0.313 0.000 -0.141) 0.343 8.469 ( 0.313 0.000 0.141) 0.343 8.481 ( -0.983 0.000 -0.104) 0.988 8.481 ( -0.983 0.000 0.104) 0.988 8.556 ( 0.286 0.000 -1.392) 1.421 8.556 ( 0.286 0.000 1.392) 1.421 8.560 ( -0.214 0.000 -1.352) 1.369 8.560 ( -0.214 0.000 1.352) 1.369 8.888 ( 0.451 0.000 -0.042) 0.453 8.888 ( 0.451 0.000 0.042) 0.453 8.900 ( -0.760 0.000 -0.087) 0.765 8.900 ( -0.760 0.000 0.087) 0.765 8.966 ( 2.160 0.000 -0.116) 2.163 8.966 ( 2.160 0.000 0.116) 2.163 9.001 ( -1.547 0.000 -0.054) 1.548 9.001 ( -1.547 0.000 0.054) 1.548 9.283 ( 3.724 0.000 -1.566) 4.039 9.283 ( 3.724 0.000 1.566) 4.039 9.342 ( -1.379 0.000 -2.033) 2.457 9.342 ( -1.379 0.000 2.033) 2.457 9.421 ( 1.662 0.000 -0.650) 1.785 9.421 ( 1.662 0.000 0.650) 1.785 9.472 ( -2.405 0.000 -6.606) 7.030 9.472 ( -2.405 0.000 6.606) 7.030 9.709 ( 0.732 0.000 -0.341) 0.807 9.709 ( 0.732 0.000 0.341) 0.807 9.736 ( -2.191 0.000 -0.896) 2.367 9.736 ( -2.191 0.000 0.896) 2.367 9.850 ( 2.525 0.000 -0.698) 2.620 9.850 ( 2.525 0.000 0.698) 2.620 9.896 ( 2.951 0.000 -1.977) 3.551 9.896 ( 2.951 0.000 1.977) 3.551 9.902 ( -2.787 0.000 -0.713) 2.877 9.902 ( -2.787 0.000 0.713) 2.877 9.971 ( -5.065 0.000 -0.299) 5.073 9.971 ( -5.065 0.000 0.299) 5.073 10.228 ( 3.334 0.000 -0.567) 3.382 10.228 ( 3.334 0.000 0.567) 3.382 10.283 ( -2.166 0.000 -0.036) 2.166 10.283 ( -2.166 0.000 0.036) 2.166 10.452 ( 0.043 0.000 -0.883) 0.885 10.452 ( 0.043 0.000 0.883) 0.885 10.462 ( -1.330 0.000 -1.436) 1.957 10.462 ( -1.330 0.000 1.436) 1.957 10.559 ( 4.225 0.000 -0.164) 4.228 10.559 ( 4.225 0.000 0.164) 4.228 10.589 ( 1.770 0.000 -0.703) 1.904 10.589 ( 1.770 0.000 0.703) 1.904 10.613 ( -1.042 0.000 -0.138) 1.051 10.613 ( -1.042 0.000 0.138) 1.051 10.644 ( -2.952 0.000 -1.168) 3.175 10.644 ( -2.952 0.000 1.168) 3.175 10.745 ( 1.968 0.000 -1.695) 2.597 10.745 ( 1.968 0.000 1.695) 2.597 10.771 ( -0.718 0.000 -1.923) 2.052 10.771 ( -0.718 0.000 1.923) 2.052 10.905 ( 1.287 0.000 -0.636) 1.436 10.905 ( 1.287 0.000 0.636) 1.436 10.929 ( -1.174 0.000 -0.614) 1.325 10.929 ( -1.174 0.000 0.614) 1.325 11.047 ( 3.493 0.000 -0.777) 3.579 11.047 ( 3.493 0.000 0.777) 3.579 11.113 ( -3.665 0.000 -0.737) 3.738 11.113 ( -3.665 0.000 0.737) 3.738 ======================= Grid point 60 (22/27) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.000 6.518 -10.066) 11.992 0.795 ( 0.000 6.518 10.066) 11.992 0.828 ( 0.000 4.341 -11.635) 12.419 0.828 ( 0.000 4.341 11.635) 12.419 1.005 ( 0.000 -1.040 -4.361) 4.484 1.005 ( 0.000 -1.040 4.361) 4.484 1.057 ( 0.000 -1.949 -5.489) 5.824 1.057 ( 0.000 -1.949 5.489) 5.824 1.113 ( 0.000 -2.929 -5.021) 5.813 1.113 ( 0.000 -2.929 5.021) 5.813 1.147 ( 0.000 -2.379 -1.208) 2.668 1.147 ( 0.000 -2.379 1.208) 2.668 1.175 ( 0.000 -0.299 -1.173) 1.211 1.175 ( 0.000 -0.299 1.173) 1.211 1.239 ( 0.000 1.602 -1.184) 1.992 1.239 ( 0.000 1.602 1.184) 1.992 1.262 ( 0.000 -0.522 -2.597) 2.649 1.262 ( 0.000 -0.522 2.597) 2.649 1.283 ( 0.000 -1.863 -3.746) 4.184 1.283 ( 0.000 -1.863 3.746) 4.184 1.290 ( 0.000 0.325 -1.716) 1.747 1.290 ( 0.000 0.325 1.716) 1.747 1.295 ( 0.000 0.047 -3.230) 3.231 1.295 ( 0.000 0.047 3.230) 3.231 1.347 ( 0.000 -0.915 -2.214) 2.396 1.347 ( 0.000 -0.915 2.214) 2.396 1.390 ( 0.000 -1.354 -1.054) 1.716 1.390 ( 0.000 -1.354 1.054) 1.716 1.509 ( 0.000 0.060 -1.462) 1.463 1.509 ( 0.000 0.060 1.462) 1.463 1.513 ( 0.000 2.692 -6.501) 7.037 1.513 ( 0.000 2.692 6.501) 7.037 1.588 ( 0.000 1.301 -5.599) 5.748 1.588 ( 0.000 1.301 5.599) 5.748 1.638 ( 0.000 0.162 -4.421) 4.424 1.638 ( 0.000 0.162 4.421) 4.424 1.697 ( 0.000 -0.760 -4.695) 4.756 1.697 ( 0.000 -0.760 4.695) 4.756 1.763 ( 0.000 -3.574 -3.730) 5.166 1.763 ( 0.000 -3.574 3.730) 5.166 1.853 ( 0.000 4.807 -2.955) 5.642 1.853 ( 0.000 4.807 2.955) 5.642 1.992 ( 0.000 -0.358 -6.681) 6.690 1.992 ( 0.000 -0.358 6.681) 6.690 2.028 ( 0.000 0.226 -7.778) 7.782 2.028 ( 0.000 0.226 7.778) 7.782 2.066 ( 0.000 -2.168 -4.683) 5.161 2.066 ( 0.000 -2.168 4.683) 5.161 2.139 ( 0.000 -0.710 -2.408) 2.510 2.139 ( 0.000 -0.710 2.408) 2.510 2.199 ( 0.000 -2.624 -1.195) 2.883 2.199 ( 0.000 -2.624 1.195) 2.883 2.314 ( 0.000 -0.107 -8.533) 8.533 2.314 ( 0.000 -0.107 8.533) 8.533 2.358 ( 0.000 0.605 -2.260) 2.339 2.358 ( 0.000 0.605 2.260) 2.339 2.406 ( 0.000 -2.859 -9.473) 9.895 2.406 ( 0.000 -2.859 9.473) 9.895 2.418 ( 0.000 -1.988 -7.519) 7.777 2.418 ( 0.000 -1.988 7.519) 7.777 2.658 ( 0.000 -0.319 -6.262) 6.270 2.658 ( 0.000 -0.319 6.262) 6.270 2.671 ( 0.000 -0.514 -7.365) 7.383 2.671 ( 0.000 -0.514 7.365) 7.383 2.784 ( 0.000 -0.510 -4.459) 4.488 2.784 ( 0.000 -0.510 4.459) 4.488 2.856 ( 0.000 -1.046 -3.028) 3.204 2.856 ( 0.000 -1.046 3.028) 3.204 2.972 ( 0.000 4.910 -4.702) 6.798 2.972 ( 0.000 4.910 4.702) 6.798 3.064 ( 0.000 -1.034 -3.282) 3.441 3.064 ( 0.000 -1.034 3.282) 3.441 3.180 ( 0.000 -2.544 -3.809) 4.580 3.180 ( 0.000 -2.544 3.809) 4.580 3.242 ( 0.000 -1.878 -4.903) 5.250 3.242 ( 0.000 -1.878 4.903) 5.250 3.371 ( 0.000 2.753 -5.783) 6.405 3.371 ( 0.000 2.753 5.783) 6.405 3.416 ( 0.000 3.388 -2.171) 4.024 3.416 ( 0.000 3.388 2.171) 4.024 3.431 ( 0.000 3.000 -2.744) 4.065 3.431 ( 0.000 3.000 2.744) 4.065 3.560 ( 0.000 2.357 -4.090) 4.721 3.560 ( 0.000 2.357 4.090) 4.721 3.612 ( 0.000 0.225 -3.453) 3.460 3.612 ( 0.000 0.225 3.453) 3.460 3.657 ( 0.000 -4.264 -2.189) 4.793 3.657 ( 0.000 -4.264 2.189) 4.793 3.764 ( 0.000 -0.182 -7.035) 7.038 3.764 ( 0.000 -0.182 7.035) 7.038 3.838 ( 0.000 -1.106 -4.437) 4.572 3.838 ( 0.000 -1.106 4.437) 4.572 3.876 ( 0.000 -0.448 -2.113) 2.160 3.876 ( 0.000 -0.448 2.113) 2.160 3.908 ( 0.000 -2.636 -6.260) 6.792 3.908 ( 0.000 -2.636 6.260) 6.792 4.044 ( 0.000 2.931 -3.880) 4.863 4.044 ( 0.000 2.931 3.880) 4.863 4.114 ( 0.000 -0.483 -2.485) 2.532 4.114 ( 0.000 -0.483 2.485) 2.532 4.252 ( 0.000 0.997 -2.951) 3.114 4.252 ( 0.000 0.997 2.951) 3.114 4.303 ( 0.000 -0.670 -2.823) 2.902 4.303 ( 0.000 -0.670 2.823) 2.902 4.500 ( 0.000 0.633 -1.854) 1.959 4.500 ( 0.000 0.633 1.854) 1.959 4.554 ( 0.000 -1.757 -1.080) 2.063 4.554 ( 0.000 -1.757 1.080) 2.063 4.675 ( 0.000 -1.190 -6.123) 6.237 4.675 ( 0.000 -1.190 6.123) 6.237 4.686 ( 0.000 -2.114 -3.277) 3.900 4.686 ( 0.000 -2.114 3.277) 3.900 4.806 ( 0.000 0.916 -2.159) 2.346 4.806 ( 0.000 0.916 2.159) 2.346 4.817 ( 0.000 -0.041 -3.002) 3.003 4.817 ( 0.000 -0.041 3.002) 3.003 5.087 ( 0.000 2.412 -12.251) 12.487 5.087 ( 0.000 2.412 12.251) 12.487 5.092 ( 0.000 1.278 -13.548) 13.609 5.092 ( 0.000 1.278 13.548) 13.609 5.147 ( 0.000 -0.818 -9.783) 9.817 5.147 ( 0.000 -0.818 9.783) 9.817 5.157 ( 0.000 -1.843 -1.458) 2.350 5.157 ( 0.000 -1.843 1.458) 2.350 5.366 ( 0.000 0.473 -4.798) 4.821 5.366 ( 0.000 0.473 4.798) 4.821 5.395 ( 0.000 -2.068 -1.724) 2.692 5.395 ( 0.000 -2.068 1.724) 2.692 5.550 ( 0.000 0.270 -5.877) 5.883 5.550 ( 0.000 0.270 5.877) 5.883 5.571 ( 0.000 -1.359 -9.852) 9.946 5.571 ( 0.000 -1.359 9.852) 9.946 5.658 ( 0.000 6.364 -11.169) 12.855 5.658 ( 0.000 6.364 11.169) 12.855 5.980 ( 0.000 -5.961 -5.909) 8.393 5.980 ( 0.000 -5.961 5.909) 8.393 6.014 ( 0.000 1.003 -1.982) 2.222 6.014 ( 0.000 1.003 1.982) 2.222 6.097 ( 0.000 -2.315 -4.430) 4.998 6.097 ( 0.000 -2.315 4.430) 4.998 6.309 ( 0.000 0.631 -3.441) 3.498 6.309 ( 0.000 0.631 3.441) 3.498 6.337 ( 0.000 -1.563 -3.366) 3.711 6.337 ( 0.000 -1.563 3.366) 3.711 6.728 ( 0.000 0.456 -3.997) 4.023 6.728 ( 0.000 0.456 3.997) 4.023 6.729 ( 0.000 0.498 -3.795) 3.828 6.729 ( 0.000 0.498 3.795) 3.828 7.318 ( 0.000 1.139 -0.796) 1.390 7.318 ( 0.000 1.139 0.796) 1.390 7.380 ( 0.000 -1.308 -0.631) 1.452 7.380 ( 0.000 -1.308 0.631) 1.452 8.470 ( 0.000 0.109 -0.527) 0.539 8.470 ( 0.000 0.109 0.527) 0.539 8.493 ( 0.000 -0.888 -0.114) 0.895 8.493 ( 0.000 -0.888 0.114) 0.895 8.567 ( 0.000 0.909 -1.711) 1.938 8.567 ( 0.000 0.909 1.711) 1.938 8.572 ( 0.000 0.430 -0.313) 0.532 8.572 ( 0.000 0.430 0.313) 0.532 8.907 ( 0.000 1.077 -0.414) 1.154 8.907 ( 0.000 1.077 0.414) 1.154 8.915 ( 0.000 0.031 -0.732) 0.733 8.915 ( 0.000 0.031 0.732) 0.733 8.930 ( 0.000 1.758 -0.464) 1.818 8.930 ( 0.000 1.758 0.464) 1.818 9.017 ( 0.000 -0.711 -0.666) 0.974 9.017 ( 0.000 -0.711 0.666) 0.974 9.204 ( 0.000 0.275 -4.186) 4.195 9.204 ( 0.000 0.275 4.186) 4.195 9.239 ( 0.000 -1.168 -2.829) 3.061 9.239 ( 0.000 -1.168 2.829) 3.061 9.471 ( 0.000 0.234 -5.802) 5.807 9.471 ( 0.000 0.234 5.802) 5.807 9.504 ( 0.000 -0.838 -7.494) 7.541 9.504 ( 0.000 -0.838 7.494) 7.541 9.733 ( 0.000 0.655 -3.869) 3.924 9.733 ( 0.000 0.655 3.869) 3.924 9.788 ( 0.000 -0.816 -2.497) 2.627 9.788 ( 0.000 -0.816 2.497) 2.627 9.831 ( 0.000 2.539 -1.242) 2.826 9.831 ( 0.000 2.539 1.242) 2.826 9.843 ( 0.000 1.197 -2.246) 2.545 9.843 ( 0.000 1.197 2.246) 2.545 9.965 ( 0.000 -1.387 -2.345) 2.725 9.965 ( 0.000 -1.387 2.345) 2.725 10.056 ( 0.000 -5.690 -3.294) 6.575 10.056 ( 0.000 -5.690 3.294) 6.575 10.169 ( 0.000 -1.310 -3.704) 3.929 10.169 ( 0.000 -1.310 3.704) 3.929 10.228 ( 0.000 -1.876 -0.407) 1.919 10.228 ( 0.000 -1.876 0.407) 1.919 10.416 ( 0.000 2.327 -2.283) 3.260 10.416 ( 0.000 2.327 2.283) 3.260 10.496 ( 0.000 -0.794 -0.297) 0.847 10.496 ( 0.000 -0.794 0.297) 0.847 10.505 ( 0.000 -0.633 -1.013) 1.194 10.505 ( 0.000 -0.633 1.013) 1.194 10.551 ( 0.000 -1.110 -2.887) 3.093 10.551 ( 0.000 -1.110 2.887) 3.093 10.652 ( 0.000 0.423 -1.706) 1.758 10.652 ( 0.000 0.423 1.706) 1.758 10.660 ( 0.000 3.302 -0.713) 3.378 10.660 ( 0.000 3.302 0.713) 3.378 10.753 ( 0.000 -0.309 -1.753) 1.780 10.753 ( 0.000 -0.309 1.753) 1.780 10.805 ( 0.000 3.122 -1.817) 3.612 10.805 ( 0.000 3.122 1.817) 3.612 10.928 ( 0.000 1.151 -0.465) 1.241 10.928 ( 0.000 1.151 0.465) 1.241 10.933 ( 0.000 0.187 -1.215) 1.229 10.933 ( 0.000 0.187 1.215) 1.229 10.981 ( 0.000 3.330 -1.754) 3.764 10.981 ( 0.000 3.330 1.754) 3.764 11.171 ( 0.000 -2.511 -2.887) 3.826 11.171 ( 0.000 -2.511 2.887) 3.826 ======================= Grid point 62 (23/27) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 2.815 4.256 -9.418) 10.711 0.811 ( 2.815 4.256 9.418) 10.711 0.892 ( 4.807 3.693 -9.680) 11.422 0.892 ( 4.807 3.693 9.680) 11.422 0.985 ( -1.985 -0.533 -2.976) 3.617 0.985 ( -1.985 -0.533 2.976) 3.617 1.043 ( -1.055 -1.581 -4.422) 4.813 1.043 ( -1.055 -1.581 4.422) 4.813 1.095 ( -0.905 -1.398 -5.570) 5.813 1.095 ( -0.905 -1.398 5.570) 5.813 1.143 ( 0.041 -1.958 -1.117) 2.254 1.143 ( 0.041 -1.958 1.117) 2.254 1.189 ( -0.320 -0.646 -0.863) 1.125 1.189 ( -0.320 -0.646 0.863) 1.125 1.220 ( -0.621 0.062 -1.889) 1.990 1.220 ( -0.621 0.062 1.889) 1.990 1.251 ( -1.481 -0.324 -1.229) 1.951 1.251 ( -1.481 -0.324 1.229) 1.951 1.282 ( 0.626 0.605 -2.272) 2.433 1.282 ( 0.626 0.605 2.272) 2.433 1.306 ( 0.508 -1.053 -1.607) 1.988 1.306 ( 0.508 -1.053 1.607) 1.988 1.324 ( 2.315 -3.897 -2.173) 5.027 1.324 ( 2.315 -3.897 2.173) 5.027 1.366 ( 2.101 -1.326 -0.721) 2.587 1.366 ( 2.101 -1.326 0.721) 2.587 1.426 ( 2.785 -1.327 -1.662) 3.504 1.426 ( 2.785 -1.327 1.662) 3.504 1.487 ( -1.787 0.355 -0.392) 1.864 1.487 ( -1.787 0.355 0.392) 1.864 1.504 ( -1.509 0.102 -0.865) 1.742 1.504 ( -1.509 0.102 0.865) 1.742 1.633 ( 3.519 0.997 -2.993) 4.726 1.633 ( 3.519 0.997 2.993) 4.726 1.679 ( 4.940 1.572 -1.292) 5.343 1.679 ( 4.940 1.572 1.292) 5.343 1.727 ( 2.924 -0.983 -3.670) 4.794 1.727 ( 2.924 -0.983 3.670) 4.794 1.793 ( 3.386 -1.520 -1.817) 4.132 1.793 ( 3.386 -1.520 1.817) 4.132 1.852 ( 0.344 5.204 -3.267) 6.154 1.852 ( 0.344 5.204 3.267) 6.154 1.983 ( -2.365 0.550 -1.503) 2.855 1.983 ( -2.365 0.550 1.503) 2.855 2.026 ( 0.573 -0.083 -5.641) 5.670 2.026 ( 0.573 -0.083 5.641) 5.670 2.072 ( 0.578 -1.222 -1.950) 2.373 2.072 ( 0.578 -1.222 1.950) 2.373 2.122 ( -0.311 -0.357 -3.981) 4.009 2.122 ( -0.311 -0.357 3.981) 4.009 2.186 ( -1.563 -1.839 -1.396) 2.788 2.186 ( -1.563 -1.839 1.396) 2.788 2.290 ( -3.029 0.657 -4.962) 5.851 2.290 ( -3.029 0.657 4.962) 5.851 2.327 ( -3.362 -0.454 -1.924) 3.900 2.327 ( -3.362 -0.454 1.924) 3.900 2.413 ( 0.903 -0.718 -3.625) 3.804 2.413 ( 0.903 -0.718 3.625) 3.804 2.443 ( 2.651 -1.901 -6.055) 6.878 2.443 ( 2.651 -1.901 6.055) 6.878 2.680 ( 2.420 0.590 -2.425) 3.477 2.680 ( 2.420 0.590 2.425) 3.477 2.723 ( 3.849 -0.284 -6.980) 7.976 2.723 ( 3.849 -0.284 6.980) 7.976 2.797 ( 0.966 -0.232 -3.734) 3.864 2.797 ( 0.966 -0.232 3.734) 3.864 2.865 ( 1.556 -0.739 -2.218) 2.808 2.865 ( 1.556 -0.739 2.218) 2.808 2.979 ( 1.006 3.000 -3.175) 4.483 2.979 ( 1.006 3.000 3.175) 4.483 3.076 ( 0.821 -1.447 -4.301) 4.612 3.076 ( 0.821 -1.447 4.301) 4.612 3.172 ( -0.170 -1.238 -3.140) 3.380 3.172 ( -0.170 -1.238 3.140) 3.380 3.252 ( 0.618 -2.456 -2.790) 3.768 3.252 ( 0.618 -2.456 2.790) 3.768 3.338 ( -2.251 1.679 -1.340) 3.112 3.338 ( -2.251 1.679 1.340) 3.112 3.407 ( -0.124 1.654 -1.518) 2.249 3.407 ( -0.124 1.654 1.518) 2.249 3.447 ( -1.274 3.077 -2.035) 3.904 3.447 ( -1.274 3.077 2.035) 3.904 3.529 ( -1.755 2.553 -2.531) 4.001 3.529 ( -1.755 2.553 2.531) 4.001 3.607 ( -0.306 -2.122 -2.940) 3.639 3.607 ( -0.306 -2.122 2.940) 3.639 3.642 ( -1.934 -3.396 -2.644) 4.718 3.642 ( -1.934 -3.396 2.644) 4.718 3.755 ( 0.460 1.207 -4.947) 5.113 3.755 ( 0.460 1.207 4.947) 5.113 3.806 ( -4.073 2.289 -4.187) 6.274 3.806 ( -4.073 2.289 4.187) 6.274 3.871 ( -0.074 -1.981 -0.391) 2.020 3.871 ( -0.074 -1.981 0.391) 2.020 3.909 ( -0.212 -1.979 -3.619) 4.131 3.909 ( -0.212 -1.979 3.619) 4.131 4.093 ( 4.041 1.606 -3.145) 5.367 4.093 ( 4.041 1.606 3.145) 5.367 4.117 ( 0.406 -0.216 -1.671) 1.733 4.117 ( 0.406 -0.216 1.671) 1.733 4.261 ( 0.487 -0.273 -3.307) 3.354 4.261 ( 0.487 -0.273 3.307) 3.354 4.269 ( -2.994 -0.148 -3.357) 4.501 4.269 ( -2.994 -0.148 3.357) 4.501 4.486 ( -0.658 0.714 -2.783) 2.947 4.486 ( -0.658 0.714 2.783) 2.947 4.563 ( 0.873 -2.216 -1.029) 2.595 4.563 ( 0.873 -2.216 1.029) 2.595 4.654 ( -3.151 -1.567 -1.051) 3.673 4.654 ( -3.151 -1.567 1.051) 3.673 4.668 ( -1.486 -1.541 -2.042) 2.958 4.668 ( -1.486 -1.541 2.042) 2.958 4.790 ( -0.618 0.617 -1.711) 1.921 4.790 ( -0.618 0.617 1.711) 1.921 4.819 ( -0.605 -0.327 -3.613) 3.678 4.819 ( -0.605 -0.327 3.613) 3.678 5.046 ( -0.956 3.196 -6.142) 6.989 5.046 ( -0.956 3.196 6.142) 6.989 5.099 ( -1.899 0.342 -11.266) 11.430 5.099 ( -1.899 0.342 11.266) 11.430 5.145 ( 2.247 -0.877 -5.765) 6.249 5.145 ( 2.247 -0.877 5.765) 6.249 5.190 ( 1.291 -2.420 -9.851) 10.225 5.190 ( 1.291 -2.420 9.851) 10.225 5.380 ( 3.591 1.493 -4.078) 5.635 5.380 ( 3.591 1.493 4.078) 5.635 5.417 ( -2.972 1.034 -10.344) 10.812 5.417 ( -2.972 1.034 10.344) 10.812 5.497 ( -1.478 0.378 -5.399) 5.611 5.497 ( -1.478 0.378 5.399) 5.611 5.528 ( -1.903 0.245 -4.602) 4.986 5.528 ( -1.903 0.245 4.602) 4.986 5.830 ( 9.547 1.366 -3.399) 10.226 5.830 ( 9.547 1.366 3.399) 10.226 5.955 ( -1.003 -2.511 -2.417) 3.627 5.955 ( -1.003 -2.511 2.417) 3.627 6.094 ( 10.044 1.405 -1.830) 10.306 6.094 ( 10.044 1.405 1.830) 10.306 6.232 ( 12.590 -2.908 -2.826) 13.227 6.232 ( 12.590 -2.908 2.826) 13.227 6.329 ( 3.478 1.485 -2.497) 4.532 6.329 ( 3.478 1.485 2.497) 4.532 6.427 ( 7.631 -3.375 -0.597) 8.365 6.427 ( 7.631 -3.375 0.597) 8.365 6.712 ( 0.115 0.573 -3.530) 3.578 6.712 ( 0.115 0.573 3.530) 3.578 6.734 ( 0.221 -0.049 -3.400) 3.408 6.734 ( 0.221 -0.049 3.400) 3.408 7.252 ( -7.427 1.321 -1.147) 7.631 7.252 ( -7.427 1.321 1.147) 7.631 7.328 ( -6.118 -1.699 -0.625) 6.380 7.328 ( -6.118 -1.699 0.625) 6.380 8.469 ( -0.079 0.166 -0.500) 0.533 8.469 ( -0.079 0.166 0.500) 0.533 8.489 ( -0.453 -0.698 -0.258) 0.872 8.489 ( -0.453 -0.698 0.258) 0.872 8.563 ( -0.274 0.720 -1.515) 1.700 8.563 ( -0.274 0.720 1.515) 1.700 8.571 ( -0.134 0.475 -0.139) 0.513 8.571 ( -0.134 0.475 0.139) 0.513 8.904 ( -0.014 1.254 -0.345) 1.300 8.904 ( -0.014 1.254 0.345) 1.300 8.922 ( -0.113 0.789 -0.379) 0.882 8.922 ( -0.113 0.789 0.379) 0.882 8.933 ( 1.059 0.790 -0.346) 1.366 8.933 ( 1.059 0.790 0.346) 1.366 9.013 ( -0.553 -0.818 -0.567) 1.138 9.013 ( -0.553 -0.818 0.567) 1.138 9.230 ( 2.698 0.575 -1.493) 3.137 9.230 ( 2.698 0.575 1.493) 3.137 9.281 ( 3.885 -1.360 -3.265) 5.254 9.281 ( 3.885 -1.360 3.265) 5.254 9.454 ( -2.024 0.451 -7.076) 7.373 9.454 ( -2.024 0.451 7.076) 7.373 9.491 ( -1.186 -0.768 -7.822) 7.949 9.491 ( -1.186 -0.768 7.822) 7.949 9.720 ( -0.804 0.927 -1.641) 2.049 9.720 ( -0.804 0.927 1.641) 2.049 9.777 ( -1.596 -1.060 -3.196) 3.726 9.777 ( -1.596 -1.060 3.196) 3.726 9.818 ( 0.204 1.456 -2.284) 2.716 9.818 ( 0.204 1.456 2.284) 2.716 9.872 ( 1.838 1.475 -1.096) 2.599 9.872 ( 1.838 1.475 1.096) 2.599 9.941 ( -2.036 -0.942 -2.503) 3.361 9.941 ( -2.036 -0.942 2.503) 3.361 10.045 ( -2.027 -3.387 -2.950) 4.928 10.045 ( -2.027 -3.387 2.950) 4.928 10.152 ( 0.191 -0.507 -2.001) 2.073 10.152 ( 0.191 -0.507 2.001) 2.073 10.251 ( 0.822 -3.357 -0.890) 3.568 10.251 ( 0.822 -3.357 0.890) 3.568 10.439 ( 1.982 1.035 -2.094) 3.064 10.439 ( 1.982 1.035 2.094) 3.064 10.481 ( -0.348 -0.851 -1.124) 1.452 10.481 ( -0.348 -0.851 1.124) 1.452 10.504 ( -1.041 -0.084 -1.482) 1.813 10.504 ( -1.041 -0.084 1.482) 1.813 10.553 ( 0.651 -1.073 -0.506) 1.353 10.553 ( 0.651 -1.073 0.506) 1.353 10.636 ( -0.628 1.162 -1.490) 1.991 10.636 ( -0.628 1.162 1.490) 1.991 10.689 ( 0.983 1.964 -1.803) 2.842 10.689 ( 0.983 1.964 1.803) 2.842 10.748 ( 0.433 0.912 -0.592) 1.170 10.748 ( 0.433 0.912 0.592) 1.170 10.822 ( 1.202 2.713 -1.998) 3.577 10.822 ( 1.202 2.713 1.998) 3.577 10.911 ( -0.598 0.987 -0.228) 1.177 10.911 ( -0.598 0.987 0.228) 1.177 10.953 ( 0.136 2.078 -0.696) 2.195 10.953 ( 0.136 2.078 0.696) 2.195 10.983 ( 1.124 0.234 -0.861) 1.435 10.983 ( 1.124 0.234 0.861) 1.435 11.147 ( -2.538 -2.505 -2.491) 4.350 11.147 ( -2.538 -2.505 2.491) 4.350 ======================= Grid point 64 (24/27) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 4.042 1.131 -5.035) 6.555 0.881 ( 4.042 1.131 5.035) 6.555 0.938 ( -2.155 -0.263 -1.818) 2.832 0.938 ( -2.155 -0.263 1.818) 2.832 0.975 ( 3.282 1.993 -5.603) 6.793 0.975 ( 3.282 1.993 5.603) 6.793 1.025 ( -1.632 -0.192 -0.204) 1.656 1.025 ( -1.632 -0.192 0.204) 1.656 1.088 ( 0.651 -0.007 -4.199) 4.249 1.088 ( 0.651 -0.007 4.199) 4.249 1.124 ( -2.436 -0.605 -1.480) 2.914 1.124 ( -2.436 -0.605 1.480) 2.914 1.185 ( 0.581 -1.173 -0.903) 1.590 1.185 ( 0.581 -1.173 0.903) 1.590 1.202 ( -1.281 -1.426 -0.762) 2.063 1.202 ( -1.281 -1.426 0.762) 2.063 1.246 ( 0.935 0.523 -0.975) 1.449 1.246 ( 0.935 0.523 0.975) 1.449 1.270 ( -1.460 -0.070 -1.456) 2.063 1.270 ( -1.460 -0.070 1.456) 2.063 1.341 ( 2.543 -3.747 -0.594) 4.567 1.341 ( 2.543 -3.747 0.594) 4.567 1.358 ( 0.882 -4.167 -2.198) 4.793 1.358 ( 0.882 -4.167 2.198) 4.793 1.403 ( 1.965 -2.017 -1.254) 3.083 1.403 ( 1.965 -2.017 1.254) 3.083 1.440 ( -1.963 -1.906 -0.511) 2.784 1.440 ( -1.963 -1.906 0.511) 2.784 1.460 ( 0.075 -0.443 -1.210) 1.291 1.460 ( 0.075 -0.443 1.210) 1.291 1.478 ( -1.381 -1.309 -0.704) 2.029 1.478 ( -1.381 -1.309 0.704) 2.029 1.695 ( 3.504 1.792 -4.182) 5.743 1.695 ( 3.504 1.792 4.182) 5.743 1.740 ( 0.039 1.358 -2.256) 2.633 1.740 ( 0.039 1.358 2.256) 2.633 1.795 ( 3.460 0.638 -1.387) 3.782 1.795 ( 3.460 0.638 1.387) 3.782 1.848 ( 1.414 -0.484 -2.184) 2.646 1.848 ( 1.414 -0.484 2.184) 2.646 1.887 ( 2.086 2.265 -0.530) 3.124 1.887 ( 2.086 2.265 0.530) 3.124 1.950 ( -0.359 1.506 -1.244) 1.986 1.950 ( -0.359 1.506 1.244) 1.986 2.018 ( 0.858 1.259 -1.224) 1.954 2.018 ( 0.858 1.259 1.224) 1.954 2.092 ( -2.376 -0.010 -1.487) 2.803 2.092 ( -2.376 -0.010 1.487) 2.803 2.122 ( 2.640 1.715 -7.381) 8.024 2.122 ( 2.640 1.715 7.381) 8.024 2.185 ( 2.119 -0.393 -2.205) 3.084 2.185 ( 2.119 -0.393 2.205) 3.084 2.211 ( -4.675 0.990 -5.556) 7.328 2.211 ( -4.675 0.990 5.556) 7.328 2.254 ( -4.149 -0.885 -2.175) 4.767 2.254 ( -4.149 -0.885 2.175) 4.767 2.443 ( 2.074 1.027 -2.036) 3.082 2.443 ( 2.074 1.027 2.036) 3.082 2.471 ( -0.288 0.724 -4.055) 4.129 2.471 ( -0.288 0.724 4.055) 4.129 2.727 ( 2.825 -0.105 -2.794) 3.974 2.727 ( 2.825 -0.105 2.794) 3.974 2.765 ( -0.196 -0.576 -7.093) 7.119 2.765 ( -0.196 -0.576 7.093) 7.119 2.828 ( 2.627 1.100 -2.326) 3.677 2.828 ( 2.627 1.100 2.326) 3.677 2.872 ( -1.537 0.920 -0.550) 1.873 2.872 ( -1.537 0.920 0.550) 1.873 3.031 ( 4.022 -1.095 -3.327) 5.334 3.031 ( 4.022 -1.095 3.327) 5.334 3.077 ( -0.952 -2.366 -4.794) 5.430 3.077 ( -0.952 -2.366 4.794) 5.430 3.192 ( 2.295 0.417 -2.094) 3.135 3.192 ( 2.295 0.417 2.094) 3.135 3.239 ( -2.141 -0.307 -0.577) 2.238 3.239 ( -2.141 -0.307 0.577) 2.238 3.340 ( 2.343 -0.397 -1.870) 3.024 3.340 ( 2.343 -0.397 1.870) 3.024 3.387 ( -2.103 -1.587 -4.195) 4.953 3.387 ( -2.103 -1.587 4.195) 4.953 3.410 ( -0.617 0.018 -1.788) 1.892 3.410 ( -0.617 0.018 1.788) 1.892 3.460 ( -5.259 -0.302 -2.207) 5.712 3.460 ( -5.259 -0.302 2.207) 5.712 3.627 ( 1.661 -0.078 -2.919) 3.359 3.627 ( 1.661 -0.078 2.919) 3.359 3.655 ( 3.060 -0.712 -2.237) 3.857 3.655 ( 3.060 -0.712 2.237) 3.857 3.701 ( -2.700 2.801 -2.475) 4.611 3.701 ( -2.700 2.801 2.475) 4.611 3.769 ( -4.152 0.691 -2.788) 5.049 3.769 ( -4.152 0.691 2.788) 5.049 3.862 ( 1.451 -0.080 -2.308) 2.727 3.862 ( 1.451 -0.080 2.308) 2.727 3.897 ( -1.446 -1.287 -0.690) 2.055 3.897 ( -1.446 -1.287 0.690) 2.055 4.128 ( 1.699 1.306 -2.853) 3.568 4.128 ( 1.699 1.306 2.853) 3.568 4.159 ( 0.445 -0.306 -3.440) 3.482 4.159 ( 0.445 -0.306 3.440) 3.482 4.220 ( 0.287 0.313 -1.655) 1.708 4.220 ( 0.287 0.313 1.655) 1.708 4.259 ( -1.620 -1.383 -3.523) 4.117 4.259 ( -1.620 -1.383 3.523) 4.117 4.501 ( 2.498 0.239 -2.210) 3.344 4.501 ( 2.498 0.239 2.210) 3.344 4.569 ( -4.168 -1.027 -1.501) 4.548 4.569 ( -4.168 -1.027 1.501) 4.548 4.594 ( 1.581 -1.933 -3.413) 4.229 4.594 ( 1.581 -1.933 3.413) 4.229 4.636 ( -2.202 -2.028 -4.447) 5.361 4.636 ( -2.202 -2.028 4.447) 5.361 4.789 ( 0.382 -0.125 -2.223) 2.259 4.789 ( 0.382 -0.125 2.223) 2.259 4.802 ( -0.968 -0.386 -2.297) 2.522 4.802 ( -0.968 -0.386 2.297) 2.522 5.048 ( 0.884 3.011 -6.614) 7.320 5.048 ( 0.884 3.011 6.614) 7.320 5.069 ( -1.425 2.137 -10.931) 11.229 5.069 ( -1.425 2.137 10.931) 11.229 5.185 ( 1.847 -1.355 -4.875) 5.387 5.185 ( 1.847 -1.355 4.875) 5.387 5.208 ( 0.069 -2.264 -10.585) 10.825 5.208 ( 0.069 -2.264 10.585) 10.825 5.376 ( 0.542 2.534 -11.183) 11.479 5.376 ( 0.542 2.534 11.183) 11.479 5.427 ( -2.812 0.123 -2.989) 4.106 5.427 ( -2.812 0.123 2.989) 4.106 5.462 ( 1.908 0.819 -2.871) 3.543 5.462 ( 1.908 0.819 2.871) 3.543 5.504 ( -1.678 -0.221 -7.427) 7.617 5.504 ( -1.678 -0.221 7.427) 7.617 5.912 ( 1.786 -0.802 -0.429) 2.004 5.912 ( 1.786 -0.802 0.429) 2.004 5.937 ( -1.131 -1.611 -0.752) 2.107 5.937 ( -1.131 -1.611 0.752) 2.107 6.358 ( 10.675 1.913 -3.363) 11.354 6.358 ( 10.675 1.913 3.363) 11.354 6.400 ( 4.322 -0.071 -0.593) 4.363 6.400 ( 4.322 -0.071 0.593) 4.363 6.426 ( 6.981 1.634 -0.580) 7.193 6.426 ( 6.981 1.634 0.580) 7.193 6.515 ( -0.920 -0.947 -0.655) 1.474 6.515 ( -0.920 -0.947 0.655) 1.474 6.785 ( 8.536 0.092 -2.116) 8.795 6.785 ( 8.536 0.092 2.116) 8.795 6.845 ( 14.925 -3.072 -1.781) 15.341 6.845 ( 14.925 -3.072 1.781) 15.341 7.047 ( -14.302 1.545 -1.246) 14.439 7.047 ( -14.302 1.545 1.246) 14.439 7.147 ( -13.873 -2.493 -0.972) 14.128 7.147 ( -13.873 -2.493 0.972) 14.128 8.470 ( 0.230 0.157 -0.460) 0.538 8.470 ( 0.230 0.157 0.460) 0.538 8.478 ( -0.613 -0.183 -0.394) 0.751 8.478 ( -0.613 -0.183 0.394) 0.751 8.562 ( 0.168 0.454 -0.964) 1.079 8.562 ( 0.168 0.454 0.964) 1.079 8.567 ( -0.309 0.396 -0.444) 0.671 8.567 ( -0.309 0.396 0.444) 0.671 8.907 ( 0.304 1.506 -0.233) 1.554 8.907 ( 0.304 1.506 0.233) 1.554 8.915 ( -0.496 1.474 -0.276) 1.579 8.915 ( -0.496 1.474 0.276) 1.579 8.963 ( 1.880 -0.360 -0.222) 1.927 8.963 ( 1.880 -0.360 0.222) 1.927 8.994 ( -1.474 -0.802 -0.454) 1.738 8.994 ( -1.474 -0.802 0.454) 1.738 9.292 ( 3.749 0.907 -2.316) 4.499 9.292 ( 3.749 0.907 2.316) 4.499 9.338 ( 0.426 -0.541 -2.789) 2.873 9.338 ( 0.426 -0.541 2.789) 2.873 9.419 ( 0.024 0.029 -2.468) 2.468 9.419 ( 0.024 0.029 2.468) 2.468 9.459 ( -2.556 -1.205 -6.306) 6.910 9.459 ( -2.556 -1.205 6.306) 6.910 9.719 ( 0.720 0.917 -0.587) 1.305 9.719 ( 0.720 0.917 0.587) 1.305 9.743 ( -1.762 0.379 -0.924) 2.025 9.743 ( -1.762 0.379 0.924) 2.025 9.839 ( 1.883 -0.389 -1.642) 2.529 9.839 ( 1.883 -0.389 1.642) 2.529 9.878 ( -1.863 -1.475 -1.385) 2.751 9.878 ( -1.863 -1.475 1.385) 2.751 9.932 ( 2.025 2.353 -2.922) 4.263 9.932 ( 2.025 2.353 2.922) 4.263 9.987 ( -3.628 1.043 -1.183) 3.956 9.987 ( -3.628 1.043 1.183) 3.956 10.186 ( 2.902 -2.872 -0.930) 4.187 10.186 ( 2.902 -2.872 0.930) 4.187 10.237 ( -2.223 -3.718 -0.691) 4.387 10.237 ( -2.223 -3.718 0.691) 4.387 10.458 ( 0.573 0.696 -1.591) 1.828 10.458 ( 0.573 0.696 1.591) 1.828 10.474 ( -1.134 0.658 -1.234) 1.800 10.474 ( -1.134 0.658 1.234) 1.800 10.518 ( 2.655 -2.245 -0.861) 3.582 10.518 ( 2.655 -2.245 0.861) 3.582 10.555 ( -0.989 -2.849 -0.544) 3.064 10.555 ( -0.989 -2.849 0.544) 3.064 10.639 ( 1.269 2.651 -1.258) 3.197 10.639 ( 1.269 2.651 1.258) 3.197 10.673 ( -1.979 2.489 -1.608) 3.563 10.673 ( -1.979 2.489 1.608) 3.563 10.784 ( 2.709 1.628 -0.672) 3.231 10.784 ( 2.709 1.628 0.672) 3.231 10.824 ( -1.308 2.323 -1.689) 3.156 10.824 ( -1.308 2.323 1.689) 3.156 10.914 ( 0.968 1.211 -0.490) 1.626 10.914 ( 0.968 1.211 0.490) 1.626 10.937 ( -1.318 2.171 -0.690) 2.632 10.937 ( -1.318 2.171 0.690) 2.632 11.026 ( 3.131 -1.981 -0.631) 3.758 11.026 ( 3.131 -1.981 0.631) 3.758 11.089 ( -3.563 -2.388 -1.608) 4.581 11.089 ( -3.563 -2.388 1.608) 4.581 ======================= Grid point 70 (25/27) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.000 -0.230 -5.459) 5.463 0.901 ( 0.000 0.230 -5.459) 5.463 0.901 ( 0.000 -0.230 5.459) 5.463 0.901 ( 0.000 0.230 5.459) 5.463 0.997 ( 0.000 -1.780 -4.513) 4.852 0.997 ( 0.000 1.780 -4.513) 4.852 0.997 ( 0.000 -1.780 4.513) 4.852 0.997 ( 0.000 1.780 4.513) 4.852 1.101 ( 0.000 -1.817 -2.534) 3.118 1.101 ( 0.000 1.817 -2.534) 3.118 1.101 ( 0.000 -1.817 2.534) 3.118 1.101 ( 0.000 1.817 2.534) 3.118 1.205 ( 0.000 -3.665 -2.000) 4.175 1.205 ( 0.000 -3.665 2.000) 4.175 1.205 ( 0.000 3.665 -2.000) 4.175 1.205 ( 0.000 3.665 2.000) 4.175 1.262 ( 0.000 -0.025 -1.442) 1.442 1.262 ( 0.000 0.025 -1.442) 1.442 1.262 ( 0.000 -0.025 1.442) 1.442 1.262 ( 0.000 0.025 1.442) 1.442 1.302 ( 0.000 -0.553 -2.373) 2.436 1.302 ( 0.000 0.553 -2.373) 2.436 1.302 ( 0.000 -0.553 2.373) 2.436 1.302 ( 0.000 0.553 2.373) 2.436 1.344 ( 0.000 -2.155 -1.844) 2.836 1.344 ( 0.000 2.155 -1.844) 2.836 1.344 ( 0.000 -2.155 1.844) 2.836 1.344 ( 0.000 2.155 1.844) 2.836 1.520 ( 0.000 -0.862 -1.223) 1.496 1.520 ( 0.000 0.862 -1.223) 1.496 1.520 ( 0.000 -0.862 1.223) 1.496 1.520 ( 0.000 0.862 1.223) 1.496 1.637 ( 0.000 -1.421 -0.452) 1.491 1.637 ( 0.000 -1.421 0.452) 1.491 1.637 ( 0.000 1.421 -0.452) 1.491 1.637 ( 0.000 1.421 0.452) 1.491 1.695 ( 0.000 -1.756 -3.105) 3.567 1.695 ( 0.000 1.756 -3.105) 3.567 1.695 ( 0.000 -1.756 3.105) 3.567 1.695 ( 0.000 1.756 3.105) 3.567 1.960 ( 0.000 -4.309 -1.876) 4.699 1.960 ( 0.000 -4.309 1.876) 4.699 1.960 ( 0.000 4.309 -1.876) 4.699 1.960 ( 0.000 4.309 1.876) 4.699 2.027 ( 0.000 -0.358 -5.949) 5.960 2.027 ( 0.000 0.358 -5.949) 5.960 2.027 ( 0.000 -0.358 5.949) 5.960 2.027 ( 0.000 0.358 5.949) 5.960 2.144 ( 0.000 -1.778 -1.426) 2.279 2.144 ( 0.000 1.778 -1.426) 2.279 2.144 ( 0.000 -1.778 1.426) 2.279 2.144 ( 0.000 1.778 1.426) 2.279 2.335 ( 0.000 -1.981 -13.592) 13.736 2.335 ( 0.000 1.981 -13.592) 13.736 2.335 ( 0.000 -1.981 13.592) 13.736 2.335 ( 0.000 1.981 13.592) 13.736 2.389 ( 0.000 -0.809 -2.797) 2.911 2.389 ( 0.000 0.809 -2.797) 2.911 2.389 ( 0.000 -0.809 2.797) 2.911 2.389 ( 0.000 0.809 2.797) 2.911 2.659 ( 0.000 -0.476 -6.884) 6.901 2.659 ( 0.000 0.476 -6.884) 6.901 2.659 ( 0.000 -0.476 6.884) 6.901 2.659 ( 0.000 0.476 6.884) 6.901 2.816 ( 0.000 -2.700 -2.905) 3.966 2.816 ( 0.000 2.700 -2.905) 3.966 2.816 ( 0.000 -2.700 2.905) 3.966 2.816 ( 0.000 2.700 2.905) 3.966 3.034 ( 0.000 -1.479 -4.785) 5.008 3.034 ( 0.000 1.479 -4.785) 5.008 3.034 ( 0.000 -1.479 4.785) 5.008 3.034 ( 0.000 1.479 4.785) 5.008 3.189 ( 0.000 -2.910 -4.539) 5.392 3.189 ( 0.000 2.910 -4.539) 5.392 3.189 ( 0.000 -2.910 4.539) 5.392 3.189 ( 0.000 2.910 4.539) 5.392 3.433 ( 0.000 -1.937 -2.875) 3.467 3.433 ( 0.000 1.937 -2.875) 3.467 3.433 ( 0.000 -1.937 2.875) 3.467 3.433 ( 0.000 1.937 2.875) 3.467 3.511 ( 0.000 -4.984 -1.578) 5.228 3.511 ( 0.000 -4.984 1.578) 5.228 3.511 ( 0.000 4.984 -1.578) 5.228 3.511 ( 0.000 4.984 1.578) 5.228 3.627 ( 0.000 -0.466 -2.162) 2.212 3.627 ( 0.000 0.466 -2.162) 2.212 3.627 ( 0.000 -0.466 2.162) 2.212 3.627 ( 0.000 0.466 2.162) 2.212 3.793 ( 0.000 -2.818 -8.065) 8.544 3.793 ( 0.000 2.818 -8.065) 8.544 3.793 ( 0.000 -2.818 8.065) 8.544 3.793 ( 0.000 2.818 8.065) 8.544 3.868 ( 0.000 -0.553 -5.019) 5.049 3.868 ( 0.000 0.553 -5.019) 5.049 3.868 ( 0.000 -0.553 5.019) 5.049 3.868 ( 0.000 0.553 5.019) 5.049 4.097 ( 0.000 -1.659 -3.300) 3.694 4.097 ( 0.000 1.659 -3.300) 3.694 4.097 ( 0.000 -1.659 3.300) 3.694 4.097 ( 0.000 1.659 3.300) 3.694 4.280 ( 0.000 -1.542 -2.688) 3.098 4.280 ( 0.000 1.542 -2.688) 3.098 4.280 ( 0.000 -1.542 2.688) 3.098 4.280 ( 0.000 1.542 2.688) 3.098 4.518 ( 0.000 -1.323 -2.751) 3.052 4.518 ( 0.000 1.323 -2.751) 3.052 4.518 ( 0.000 -1.323 2.751) 3.052 4.518 ( 0.000 1.323 2.751) 3.052 4.661 ( 0.000 -0.179 -4.312) 4.316 4.661 ( 0.000 0.179 -4.312) 4.316 4.661 ( 0.000 -0.179 4.312) 4.316 4.661 ( 0.000 0.179 4.312) 4.316 4.816 ( 0.000 -0.109 -1.789) 1.792 4.816 ( 0.000 0.109 -1.789) 1.792 4.816 ( 0.000 -0.109 1.789) 1.792 4.816 ( 0.000 0.109 1.789) 1.792 5.117 ( 0.000 -0.325 -10.946) 10.951 5.117 ( 0.000 0.325 -10.946) 10.951 5.117 ( 0.000 -0.325 10.946) 10.951 5.117 ( 0.000 0.325 10.946) 10.951 5.134 ( 0.000 -0.174 -2.376) 2.382 5.134 ( 0.000 0.174 -2.376) 2.382 5.134 ( 0.000 -0.174 2.376) 2.382 5.134 ( 0.000 0.174 2.376) 2.382 5.369 ( 0.000 -0.321 -1.407) 1.444 5.369 ( 0.000 0.321 -1.407) 1.444 5.369 ( 0.000 -0.321 1.407) 1.444 5.369 ( 0.000 0.321 1.407) 1.444 5.552 ( 0.000 -0.356 -8.021) 8.029 5.552 ( 0.000 0.356 -8.021) 8.029 5.552 ( 0.000 -0.356 8.021) 8.029 5.552 ( 0.000 0.356 8.021) 8.029 5.821 ( 0.000 -8.790 -12.052) 14.917 5.821 ( 0.000 8.790 -12.052) 14.917 5.821 ( 0.000 -8.790 12.052) 14.917 5.821 ( 0.000 8.790 12.052) 14.917 6.046 ( 0.000 -2.174 -2.044) 2.984 6.046 ( 0.000 2.174 -2.044) 2.984 6.046 ( 0.000 -2.174 2.044) 2.984 6.046 ( 0.000 2.174 2.044) 2.984 6.321 ( 0.000 -0.480 -4.296) 4.323 6.321 ( 0.000 0.480 -4.296) 4.323 6.321 ( 0.000 -0.480 4.296) 4.323 6.321 ( 0.000 0.480 4.296) 4.323 6.734 ( 0.000 -0.048 -3.966) 3.967 6.734 ( 0.000 0.048 -3.966) 3.967 6.734 ( 0.000 -0.048 3.966) 3.967 6.734 ( 0.000 0.048 3.966) 3.967 7.348 ( 0.000 -1.697 -0.793) 1.873 7.348 ( 0.000 -1.697 0.793) 1.873 7.348 ( 0.000 1.697 -0.793) 1.873 7.348 ( 0.000 1.697 0.793) 1.873 8.477 ( 0.000 -0.583 -0.274) 0.645 8.477 ( 0.000 -0.583 0.274) 0.645 8.477 ( 0.000 0.583 -0.274) 0.645 8.477 ( 0.000 0.583 0.274) 0.645 8.577 ( 0.000 -0.026 -1.229) 1.229 8.577 ( 0.000 0.026 -1.229) 1.229 8.577 ( 0.000 -0.026 1.229) 1.229 8.577 ( 0.000 0.026 1.229) 1.229 8.915 ( 0.000 -0.085 -0.695) 0.700 8.915 ( 0.000 0.085 -0.695) 0.700 8.915 ( 0.000 -0.085 0.695) 0.700 8.915 ( 0.000 0.085 0.695) 0.700 8.984 ( 0.000 -2.598 -1.085) 2.816 8.984 ( 0.000 -2.598 1.085) 2.816 8.984 ( 0.000 2.598 -1.085) 2.816 8.984 ( 0.000 2.598 1.085) 2.816 9.216 ( 0.000 -0.929 -4.284) 4.384 9.216 ( 0.000 0.929 -4.284) 4.384 9.216 ( 0.000 -0.929 4.284) 4.384 9.216 ( 0.000 0.929 4.284) 4.384 9.484 ( 0.000 -1.006 -6.824) 6.898 9.484 ( 0.000 1.006 -6.824) 6.898 9.484 ( 0.000 -1.006 6.824) 6.898 9.484 ( 0.000 1.006 6.824) 6.898 9.757 ( 0.000 -1.649 -3.862) 4.199 9.757 ( 0.000 1.649 -3.862) 4.199 9.757 ( 0.000 -1.649 3.862) 4.199 9.757 ( 0.000 1.649 3.862) 4.199 9.873 ( 0.000 -0.290 -4.268) 4.278 9.873 ( 0.000 0.290 -4.268) 4.278 9.873 ( 0.000 -0.290 4.268) 4.278 9.873 ( 0.000 0.290 4.268) 4.278 9.953 ( 0.000 -2.251 -3.867) 4.475 9.953 ( 0.000 2.251 -3.867) 4.475 9.953 ( 0.000 -2.251 3.867) 4.475 9.953 ( 0.000 2.251 3.867) 4.475 10.188 ( 0.000 -1.895 -1.039) 2.161 10.188 ( 0.000 -1.895 1.039) 2.161 10.188 ( 0.000 1.895 -1.039) 2.161 10.188 ( 0.000 1.895 1.039) 2.161 10.465 ( 0.000 -2.148 -1.087) 2.408 10.465 ( 0.000 -2.148 1.087) 2.408 10.465 ( 0.000 2.148 -1.087) 2.408 10.465 ( 0.000 2.148 1.087) 2.408 10.518 ( 0.000 -1.667 -1.521) 2.257 10.518 ( 0.000 1.667 -1.521) 2.257 10.518 ( 0.000 -1.667 1.521) 2.257 10.518 ( 0.000 1.667 1.521) 2.257 10.669 ( 0.000 -1.176 -2.691) 2.936 10.669 ( 0.000 1.176 -2.691) 2.936 10.669 ( 0.000 -1.176 2.691) 2.936 10.669 ( 0.000 1.176 2.691) 2.936 10.794 ( 0.000 -2.914 -1.512) 3.283 10.794 ( 0.000 -2.914 1.512) 3.283 10.794 ( 0.000 2.914 -1.512) 3.283 10.794 ( 0.000 2.914 1.512) 3.283 10.933 ( 0.000 -0.119 -0.543) 0.556 10.933 ( 0.000 0.119 -0.543) 0.556 10.933 ( 0.000 -0.119 0.543) 0.556 10.933 ( 0.000 0.119 0.543) 0.556 11.092 ( 0.000 -5.283 -4.852) 7.173 11.092 ( 0.000 5.283 -4.852) 7.173 11.092 ( 0.000 -5.283 4.852) 7.173 11.092 ( 0.000 5.283 4.852) 7.173 ======================= Grid point 74 (26/27) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 23 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.921 -3.451 -4.859) 6.030 0.913 ( 0.921 3.257 -4.799) 5.872 0.913 ( 0.921 -3.257 4.799) 5.872 0.913 ( 0.921 3.451 4.859) 6.030 0.997 ( 0.209 -2.150 -4.692) 5.165 0.997 ( 0.209 1.983 -4.659) 5.068 0.997 ( 0.209 -1.983 4.659) 5.068 0.997 ( 0.209 2.150 4.692) 5.165 1.099 ( 0.148 -2.052 -2.518) 3.252 1.099 ( 0.148 1.926 -2.473) 3.138 1.099 ( 0.148 -1.925 2.473) 3.138 1.099 ( 0.148 2.052 2.518) 3.252 1.204 ( -1.124 -2.252 -1.898) 3.152 1.204 ( -1.124 -0.991 -1.336) 2.008 1.204 ( -1.124 0.991 1.336) 2.008 1.204 ( -1.124 2.252 1.898) 3.152 1.242 ( -0.390 -0.203 -1.273) 1.347 1.242 ( -0.390 0.054 -1.267) 1.326 1.242 ( -0.390 -0.054 1.267) 1.326 1.242 ( -0.390 0.203 1.273) 1.347 1.301 ( 0.070 -0.263 -1.422) 1.448 1.301 ( 0.070 0.118 -1.413) 1.420 1.301 ( 0.070 -0.118 1.413) 1.420 1.301 ( 0.070 0.263 1.422) 1.448 1.378 ( 1.847 -2.174 -1.096) 3.056 1.378 ( 1.847 -1.475 -0.258) 2.378 1.378 ( 1.847 1.475 0.258) 2.378 1.378 ( 1.847 2.174 1.096) 3.056 1.497 ( -1.999 -0.598 -0.736) 2.212 1.497 ( -1.999 0.290 -0.648) 2.121 1.497 ( -1.999 -0.290 0.648) 2.121 1.497 ( -1.999 0.598 0.736) 2.212 1.667 ( 3.272 -1.757 -3.125) 4.854 1.667 ( 3.272 1.405 -3.045) 4.685 1.667 ( 3.272 -1.405 3.045) 4.685 1.667 ( 3.272 1.757 3.125) 4.854 1.750 ( 5.004 -2.271 -1.583) 5.719 1.750 ( 5.004 -0.606 -0.614) 5.078 1.750 ( 5.004 0.606 0.614) 5.078 1.750 ( 5.004 2.271 1.583) 5.719 1.957 ( -0.767 -3.421 -2.031) 4.052 1.957 ( -0.767 -1.974 -0.810) 2.268 1.957 ( -0.767 1.974 0.810) 2.268 1.957 ( -0.767 3.421 2.031) 4.052 2.045 ( 1.713 -1.609 -4.284) 4.886 2.045 ( 1.713 1.193 -4.223) 4.710 2.045 ( 1.713 -1.193 4.223) 4.710 2.045 ( 1.713 1.609 4.284) 4.886 2.134 ( -0.092 -2.207 -3.168) 3.863 2.134 ( -0.092 2.203 -3.167) 3.859 2.134 ( -0.092 -2.203 3.167) 3.859 2.134 ( -0.092 2.207 3.168) 3.863 2.310 ( -3.463 -1.144 -5.022) 6.207 2.310 ( -3.463 1.143 -5.022) 6.206 2.310 ( -3.463 -1.143 5.022) 6.206 2.310 ( -3.463 1.144 5.022) 6.207 2.412 ( 2.959 -0.583 -9.038) 9.528 2.412 ( 2.959 0.541 -9.037) 9.524 2.412 ( 2.959 -0.541 9.037) 9.524 2.412 ( 2.959 0.583 9.038) 9.528 2.703 ( 3.449 -0.920 -6.518) 7.432 2.703 ( 3.449 0.642 -6.504) 7.390 2.703 ( 3.449 -0.642 6.504) 7.390 2.703 ( 3.449 0.920 6.518) 7.432 2.829 ( 1.718 -2.685 -1.771) 3.647 2.829 ( 1.718 -0.643 -0.340) 1.866 2.829 ( 1.718 0.643 0.340) 1.866 2.829 ( 1.718 2.685 1.771) 3.647 3.029 ( -0.597 -2.120 -4.363) 4.887 3.029 ( -0.597 1.523 -4.250) 4.554 3.029 ( -0.597 -1.523 4.250) 4.554 3.029 ( -0.597 2.120 4.363) 4.887 3.192 ( 0.714 -2.640 -3.905) 4.767 3.192 ( 0.714 1.432 -3.614) 3.952 3.192 ( 0.714 -1.432 3.614) 3.952 3.192 ( 0.714 2.640 3.905) 4.767 3.393 ( -2.985 -2.351 -3.081) 4.892 3.393 ( -2.985 1.491 -2.832) 4.377 3.393 ( -2.985 -1.491 2.832) 4.377 3.393 ( -2.985 2.351 3.081) 4.892 3.537 ( -1.706 -4.393 -1.202) 4.863 3.537 ( -1.706 -4.368 1.162) 4.832 3.537 ( -1.706 4.368 -1.162) 4.832 3.537 ( -1.706 4.393 1.202) 4.863 3.578 ( -0.749 -1.058 -4.099) 4.299 3.578 ( -0.749 1.056 -4.098) 4.298 3.578 ( -0.749 -1.056 4.098) 4.298 3.578 ( -0.749 1.058 4.099) 4.299 3.804 ( -0.375 -2.741 -5.667) 6.307 3.804 ( -0.375 2.582 -5.634) 6.209 3.804 ( -0.375 -2.582 5.634) 6.209 3.804 ( -0.375 2.741 5.667) 6.307 3.862 ( -0.150 -1.696 -5.351) 5.616 3.862 ( -0.150 1.322 -5.304) 5.468 3.862 ( -0.150 -1.322 5.304) 5.468 3.862 ( -0.150 1.696 5.351) 5.616 4.115 ( 1.761 -0.556 -1.519) 2.391 4.115 ( 1.761 0.556 -1.519) 2.391 4.115 ( 1.761 -0.556 1.519) 2.391 4.115 ( 1.761 0.556 1.519) 2.391 4.262 ( -1.586 -0.325 -3.739) 4.074 4.262 ( -1.586 0.296 -3.738) 4.071 4.262 ( -1.586 -0.296 3.738) 4.071 4.262 ( -1.586 0.325 3.739) 4.074 4.514 ( -0.110 -1.991 -2.484) 3.186 4.514 ( -0.110 1.385 -2.294) 2.682 4.514 ( -0.110 -1.385 2.294) 2.682 4.514 ( -0.110 1.991 2.484) 3.186 4.642 ( -2.125 -0.307 -3.467) 4.078 4.642 ( -2.125 0.213 -3.464) 4.070 4.642 ( -2.125 -0.213 3.464) 4.070 4.642 ( -2.125 0.307 3.467) 4.078 4.806 ( -0.864 -0.759 -2.440) 2.698 4.806 ( -0.864 0.673 -2.429) 2.665 4.806 ( -0.864 -0.673 2.429) 2.665 4.806 ( -0.864 0.759 2.440) 2.698 5.103 ( -0.859 -1.008 -4.812) 4.991 5.103 ( -0.859 0.873 -4.801) 4.954 5.103 ( -0.859 -0.873 4.801) 4.954 5.103 ( -0.859 1.008 4.812) 4.991 5.139 ( 1.250 -1.223 -10.840) 10.980 5.139 ( 1.250 1.070 -10.833) 10.957 5.139 ( 1.250 -1.070 10.833) 10.957 5.139 ( 1.250 1.223 10.840) 10.980 5.413 ( 2.192 -1.255 -3.191) 4.070 5.413 ( 2.192 1.164 -3.176) 4.031 5.413 ( 2.192 -1.164 3.176) 4.031 5.413 ( 2.192 1.255 3.191) 4.070 5.517 ( -2.667 -1.025 -8.838) 9.289 5.517 ( -2.667 0.988 -8.836) 9.283 5.517 ( -2.667 -0.988 8.836) 9.283 5.517 ( -2.667 1.025 8.838) 9.289 5.886 ( 3.392 -2.506 -3.836) 5.701 5.886 ( 3.392 -1.097 -3.530) 5.017 5.886 ( 3.392 1.097 3.530) 5.017 5.886 ( 3.392 2.506 3.836) 5.701 6.150 ( 13.193 -3.781 -4.040) 14.307 6.150 ( 13.193 1.456 -3.303) 13.678 6.150 ( 13.193 -1.456 3.303) 13.678 6.150 ( 13.193 3.781 4.040) 14.307 6.370 ( 4.935 -2.097 -2.426) 5.886 6.370 ( 4.935 0.413 -2.002) 5.342 6.370 ( 4.935 -0.413 2.002) 5.342 6.370 ( 4.935 2.097 2.426) 5.886 6.727 ( -0.247 -0.581 -3.799) 3.851 6.727 ( -0.247 0.550 -3.797) 3.845 6.727 ( -0.247 -0.550 3.797) 3.845 6.727 ( -0.247 0.581 3.799) 3.851 7.287 ( -6.919 -2.086 -0.985) 7.293 7.287 ( -6.919 -2.079 0.979) 7.291 7.287 ( -6.919 2.079 -0.979) 7.291 7.287 ( -6.919 2.086 0.985) 7.293 8.476 ( -0.113 -0.507 -0.195) 0.555 8.476 ( -0.113 -0.484 0.166) 0.524 8.476 ( -0.113 0.484 -0.166) 0.524 8.476 ( -0.113 0.507 0.195) 0.555 8.574 ( -0.296 -0.265 -0.958) 1.037 8.574 ( -0.296 0.262 -0.958) 1.036 8.574 ( -0.296 -0.262 0.958) 1.036 8.574 ( -0.296 0.265 0.958) 1.037 8.920 ( 0.606 -0.507 -0.561) 0.969 8.920 ( 0.606 0.445 -0.538) 0.924 8.920 ( 0.606 -0.445 0.538) 0.924 8.920 ( 0.606 0.507 0.561) 0.969 8.979 ( -0.499 -2.453 -0.840) 2.641 8.979 ( -0.499 -2.343 0.687) 2.493 8.979 ( -0.499 2.343 -0.687) 2.493 8.979 ( -0.499 2.453 0.840) 2.641 9.250 ( 3.395 -0.831 -5.222) 6.284 9.250 ( 3.395 0.440 -5.201) 6.227 9.250 ( 3.395 -0.440 5.201) 6.227 9.250 ( 3.395 0.831 5.222) 6.284 9.471 ( -1.523 -1.044 -7.940) 8.152 9.471 ( -1.523 1.030 -7.939) 8.149 9.471 ( -1.523 -1.030 7.939) 8.149 9.471 ( -1.523 1.044 7.940) 8.152 9.747 ( -0.819 -1.574 -2.483) 3.052 9.747 ( -0.819 1.570 -2.481) 3.048 9.747 ( -0.819 -1.570 2.481) 3.048 9.747 ( -0.819 1.574 2.483) 3.052 9.862 ( -0.904 -2.211 -3.046) 3.871 9.862 ( -0.904 1.662 -2.886) 3.451 9.862 ( -0.904 -1.662 2.886) 3.451 9.862 ( -0.904 2.211 3.046) 3.871 9.964 ( 1.004 -3.427 -3.545) 5.032 9.964 ( 1.004 3.387 -3.528) 4.993 9.964 ( 1.004 -3.387 3.528) 4.993 9.964 ( 1.004 3.427 3.545) 5.032 10.185 ( -0.517 -2.795 -0.592) 2.904 10.185 ( -0.517 -2.654 0.088) 2.705 10.185 ( -0.517 2.654 -0.088) 2.705 10.185 ( -0.517 2.795 0.592) 2.904 10.464 ( 0.153 -0.960 -1.329) 1.646 10.464 ( 0.153 0.622 -1.237) 1.393 10.464 ( 0.153 -0.622 1.237) 1.393 10.464 ( 0.153 0.960 1.329) 1.646 10.518 ( -0.254 -1.325 -0.992) 1.675 10.518 ( -0.254 -0.841 -0.719) 1.135 10.518 ( -0.254 0.841 0.719) 1.135 10.518 ( -0.254 1.325 0.992) 1.675 10.677 ( 0.787 -2.201 -1.846) 2.978 10.677 ( 0.787 0.222 -1.129) 1.394 10.677 ( 0.787 -0.222 1.129) 1.394 10.677 ( 0.787 2.201 1.846) 2.978 10.803 ( 0.662 -3.346 -1.110) 3.587 10.803 ( 0.662 -3.253 0.979) 3.461 10.803 ( 0.662 3.253 -0.979) 3.461 10.803 ( 0.662 3.346 1.110) 3.587 10.940 ( 0.901 -1.823 -0.275) 2.052 10.940 ( 0.901 -1.819 0.264) 2.047 10.940 ( 0.901 1.819 -0.264) 2.047 10.940 ( 0.901 1.823 0.275) 2.052 11.070 ( -2.318 -4.987 -4.081) 6.848 11.070 ( -2.318 2.566 -2.921) 4.526 11.070 ( -2.318 -2.566 2.921) 4.526 11.070 ( -2.318 4.987 4.081) 6.848 ======================= Grid point 78 (27/27) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 23 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.161 -1.728 -1.815) 2.511 0.923 ( 0.161 1.306 -1.650) 2.111 0.923 ( 0.161 -1.306 1.650) 2.111 0.923 ( 0.161 1.728 1.815) 2.511 1.009 ( 0.822 -1.266 -2.748) 3.136 1.009 ( 0.822 1.262 -2.748) 3.133 1.009 ( 0.822 -1.262 2.748) 3.133 1.009 ( 0.822 1.266 2.748) 3.136 1.103 ( 0.021 -1.432 -2.457) 2.844 1.103 ( 0.021 1.394 -2.447) 2.816 1.103 ( 0.021 -1.394 2.447) 2.816 1.103 ( 0.021 1.432 2.457) 2.844 1.173 ( -1.157 -0.878 -1.566) 2.136 1.173 ( -1.157 0.877 -1.566) 2.135 1.173 ( -1.157 -0.877 1.566) 2.135 1.173 ( -1.157 0.878 1.566) 2.136 1.258 ( 1.210 -1.081 -0.905) 1.858 1.258 ( 1.210 0.072 -0.550) 1.331 1.258 ( 1.210 -0.072 0.550) 1.331 1.258 ( 1.210 1.081 0.905) 1.858 1.295 ( -0.667 -1.023 -0.814) 1.468 1.295 ( -0.667 0.635 -0.613) 1.106 1.295 ( -0.667 -0.635 0.613) 1.106 1.295 ( -0.667 1.023 0.814) 1.468 1.398 ( 0.678 -1.148 -0.766) 1.538 1.398 ( 0.678 -0.486 -0.325) 0.896 1.398 ( 0.678 0.486 0.325) 0.896 1.398 ( 0.678 1.148 0.766) 1.538 1.463 ( -1.354 -0.313 -0.467) 1.466 1.463 ( -1.354 -0.196 -0.438) 1.436 1.463 ( -1.354 0.196 0.438) 1.436 1.463 ( -1.354 0.313 0.467) 1.466 1.738 ( 3.589 -1.772 -2.763) 4.864 1.738 ( 3.589 1.636 -2.725) 4.794 1.738 ( 3.589 -1.636 2.725) 4.794 1.738 ( 3.589 1.772 2.763) 4.864 1.819 ( 0.989 -1.904 -0.376) 2.178 1.819 ( 0.989 -1.904 0.375) 2.178 1.819 ( 0.989 1.904 -0.375) 2.178 1.819 ( 0.989 1.904 0.376) 2.178 1.941 ( -0.073 -1.615 -2.042) 2.605 1.941 ( -0.073 -0.403 -1.756) 1.803 1.941 ( -0.073 0.403 1.756) 1.803 1.941 ( -0.073 1.615 2.042) 2.605 2.066 ( 0.554 -2.410 -0.784) 2.594 2.066 ( 0.554 -2.391 0.758) 2.569 2.066 ( 0.554 2.391 -0.758) 2.569 2.066 ( 0.554 2.410 0.784) 2.594 2.165 ( 3.042 -1.693 -5.375) 6.404 2.165 ( 3.042 1.489 -5.348) 6.330 2.165 ( 3.042 -1.489 5.348) 6.330 2.165 ( 3.042 1.693 5.375) 6.404 2.232 ( -4.385 -1.075 -3.997) 6.030 2.232 ( -4.385 1.039 -3.992) 6.021 2.232 ( -4.385 -1.039 3.992) 6.021 2.232 ( -4.385 1.075 3.997) 6.030 2.465 ( 2.058 -0.836 -4.692) 5.191 2.465 ( 2.058 0.682 -4.681) 5.158 2.465 ( 2.058 -0.682 4.681) 5.158 2.465 ( 2.058 0.836 4.692) 5.191 2.736 ( 0.196 -1.179 -2.613) 2.873 2.736 ( 0.196 0.948 -2.571) 2.747 2.736 ( 0.196 -0.948 2.571) 2.747 2.736 ( 0.196 1.179 2.613) 2.873 2.879 ( 2.808 -2.188 -1.900) 4.036 2.879 ( 2.808 1.313 -1.500) 3.444 2.879 ( 2.808 -1.313 1.500) 3.444 2.879 ( 2.808 2.188 1.900) 4.036 3.017 ( -0.582 -1.853 -2.662) 3.295 3.017 ( -0.582 1.415 -2.540) 2.965 3.017 ( -0.582 -1.415 2.540) 2.965 3.017 ( -0.582 1.853 2.662) 3.296 3.215 ( 1.227 -1.833 -2.189) 3.108 3.215 ( 1.227 1.232 -1.993) 2.644 3.215 ( 1.227 -1.232 1.993) 2.644 3.215 ( 1.227 1.833 2.189) 3.108 3.359 ( 0.360 -0.924 -3.756) 3.884 3.359 ( 0.360 0.071 -3.705) 3.723 3.359 ( 0.360 -0.071 3.705) 3.723 3.359 ( 0.360 0.924 3.756) 3.884 3.432 ( -6.211 -2.058 -2.774) 7.107 3.432 ( -6.211 2.058 -2.774) 7.107 3.432 ( -6.211 -2.058 2.774) 7.107 3.432 ( -6.211 2.058 2.774) 7.107 3.636 ( 3.876 -0.667 -2.800) 4.828 3.636 ( 3.876 0.499 -2.785) 4.799 3.636 ( 3.876 -0.499 2.785) 4.799 3.636 ( 3.876 0.667 2.800) 4.828 3.756 ( -3.705 -1.810 -2.090) 4.623 3.756 ( -3.705 0.538 -1.744) 4.130 3.756 ( -3.705 -0.538 1.744) 4.130 3.756 ( -3.705 1.810 2.090) 4.623 3.872 ( 0.559 -0.788 -1.122) 1.481 3.872 ( 0.559 -0.155 -0.996) 1.153 3.872 ( 0.559 0.155 0.996) 1.153 3.872 ( 0.559 0.788 1.122) 1.481 4.149 ( 1.615 -0.603 -1.217) 2.111 4.149 ( 1.615 0.197 -1.157) 1.997 4.149 ( 1.615 -0.197 1.157) 1.997 4.149 ( 1.615 0.603 1.217) 2.111 4.231 ( -1.539 -0.798 -2.877) 3.359 4.231 ( -1.539 0.608 -2.856) 3.301 4.231 ( -1.539 -0.608 2.856) 3.301 4.231 ( -1.539 0.798 2.877) 3.359 4.528 ( 1.535 -2.200 -1.779) 3.219 4.528 ( 1.535 0.277 -1.025) 1.866 4.528 ( 1.535 -0.277 1.025) 1.866 4.528 ( 1.535 2.200 1.779) 3.219 4.594 ( -2.598 -1.580 -2.152) 3.725 4.594 ( -2.598 1.410 -2.099) 3.625 4.594 ( -2.598 -1.410 2.099) 3.625 4.594 ( -2.598 1.580 2.152) 3.725 4.793 ( -0.459 -0.227 -1.252) 1.352 4.793 ( -0.459 0.074 -1.243) 1.327 4.793 ( -0.459 -0.074 1.243) 1.327 4.793 ( -0.459 0.227 1.252) 1.352 5.097 ( 0.012 -0.681 -0.826) 1.071 5.097 ( 0.012 0.280 -0.715) 0.768 5.097 ( 0.012 -0.280 0.715) 0.768 5.097 ( 0.012 0.681 0.826) 1.071 5.167 ( 1.232 -0.722 -5.741) 5.916 5.167 ( 1.232 0.704 -5.740) 5.913 5.167 ( 1.232 -0.704 5.740) 5.913 5.167 ( 1.232 0.722 5.741) 5.916 5.418 ( -0.776 -1.236 -4.421) 4.656 5.418 ( -0.776 1.210 -4.418) 4.646 5.418 ( -0.776 -1.210 4.418) 4.646 5.418 ( -0.776 1.236 4.421) 4.656 5.487 ( -0.577 -1.007 -4.149) 4.308 5.487 ( -0.577 0.634 -4.116) 4.204 5.487 ( -0.577 -0.634 4.116) 4.204 5.487 ( -0.577 1.007 4.149) 4.308 5.909 ( 0.202 -0.690 -0.824) 1.094 5.909 ( 0.202 0.508 -0.763) 0.938 5.909 ( 0.202 -0.508 0.763) 0.938 5.909 ( 0.202 0.690 0.824) 1.094 6.389 ( 7.197 -0.998 -2.035) 7.546 6.389 ( 7.197 0.880 -2.010) 7.524 6.389 ( 7.197 -0.880 2.010) 7.524 6.389 ( 7.197 0.998 2.035) 7.546 6.476 ( 4.543 -2.706 -0.961) 5.375 6.476 ( 4.543 -2.512 0.688) 5.237 6.476 ( 4.543 2.512 -0.688) 5.237 6.476 ( 4.543 2.706 0.961) 5.375 6.797 ( 11.089 -1.299 -2.594) 11.462 6.797 ( 11.089 1.101 -2.553) 11.432 6.797 ( 11.089 -1.101 2.553) 11.432 6.797 ( 11.089 1.299 2.594) 11.462 7.091 ( -14.394 -2.654 -1.365) 14.701 7.091 ( -14.394 -2.484 1.215) 14.658 7.091 ( -14.394 2.484 -1.215) 14.658 7.091 ( -14.394 2.654 1.365) 14.701 8.474 ( -0.067 -0.211 -0.060) 0.230 8.474 ( -0.067 -0.200 0.039) 0.215 8.474 ( -0.067 0.200 -0.039) 0.215 8.474 ( -0.067 0.211 0.060) 0.230 8.569 ( -0.155 -0.184 -0.363) 0.435 8.569 ( -0.155 0.183 -0.362) 0.434 8.569 ( -0.155 -0.183 0.362) 0.434 8.569 ( -0.155 0.184 0.363) 0.435 8.934 ( 0.674 -0.728 -0.323) 1.044 8.934 ( 0.674 -0.569 0.113) 0.889 8.934 ( 0.674 0.569 -0.113) 0.889 8.934 ( 0.674 0.728 0.323) 1.044 8.967 ( -0.611 -1.528 -0.439) 1.703 8.967 ( -0.611 -1.513 0.415) 1.683 8.967 ( -0.611 1.513 -0.415) 1.683 8.967 ( -0.611 1.528 0.439) 1.703 9.317 ( 3.141 -1.040 -5.062) 6.047 9.317 ( 3.141 0.738 -5.038) 5.983 9.317 ( 3.141 -0.738 5.038) 5.983 9.317 ( 3.141 1.040 5.062) 6.047 9.432 ( -2.290 -1.024 -6.427) 6.899 9.432 ( -2.290 0.918 -6.420) 6.877 9.432 ( -2.290 -0.918 6.420) 6.877 9.432 ( -2.290 1.024 6.427) 6.899 9.739 ( -0.052 -0.795 -0.886) 1.191 9.739 ( -0.052 0.753 -0.869) 1.151 9.739 ( -0.052 -0.753 0.869) 1.151 9.739 ( -0.052 0.795 0.886) 1.191 9.848 ( -0.544 -1.168 -1.101) 1.695 9.848 ( -0.544 0.667 -0.896) 1.243 9.848 ( -0.544 -0.667 0.896) 1.243 9.848 ( -0.544 1.168 1.101) 1.695 9.981 ( 0.650 -1.939 -1.504) 2.539 9.981 ( 0.650 1.938 -1.504) 2.538 9.981 ( 0.650 -1.938 1.504) 2.538 9.981 ( 0.650 1.939 1.504) 2.539 10.170 ( -0.719 -1.857 -0.250) 2.007 10.170 ( -0.719 -1.826 0.106) 1.965 10.170 ( -0.719 1.826 -0.106) 1.965 10.170 ( -0.719 1.857 0.250) 2.007 10.474 ( 0.776 -0.775 -1.093) 1.549 10.474 ( 0.776 0.597 -1.043) 1.431 10.474 ( 0.776 -0.597 1.043) 1.431 10.474 ( 0.776 0.775 1.093) 1.549 10.507 ( -0.729 -1.454 -0.829) 1.825 10.507 ( -0.729 -0.891 0.316) 1.193 10.507 ( -0.729 0.891 -0.316) 1.193 10.507 ( -0.729 1.454 0.829) 1.825 10.693 ( 0.693 -1.518 -0.625) 1.782 10.693 ( 0.693 -1.321 0.376) 1.539 10.693 ( 0.693 1.321 -0.376) 1.539 10.693 ( 0.693 1.518 0.625) 1.782 10.810 ( 0.119 -1.965 -0.463) 2.023 10.810 ( 0.119 -1.962 0.458) 2.019 10.810 ( 0.119 1.962 -0.458) 2.019 10.810 ( 0.119 1.965 0.463) 2.023 10.969 ( 2.253 -3.132 -0.710) 3.923 10.969 ( 2.253 -2.971 0.263) 3.738 10.969 ( 2.253 2.971 -0.263) 3.738 10.969 ( 2.253 3.132 0.710) 3.923 11.019 ( -2.991 -4.135 -2.403) 5.641 11.019 ( -2.991 -2.031 -0.098) 3.617 11.019 ( -2.991 2.031 0.098) 3.617 11.019 ( -2.991 4.135 2.403) 5.641 =================== 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 45.124 35.191 49.232 0.000 0.000 0.000 3/17280 20.0 8.906 6.734 10.556 0.000 0.000 0.000 3/17280 30.0 4.379 3.197 5.106 0.000 0.000 0.000 3/17280 40.0 2.801 2.004 3.239 0.000 0.000 0.000 3/17280 50.0 2.038 1.437 2.345 0.000 0.000 0.000 3/17280 60.0 1.604 1.116 1.835 0.000 0.000 0.000 3/17280 70.0 1.329 0.912 1.511 0.000 0.000 0.000 3/17280 80.0 1.142 0.773 1.287 0.000 0.000 0.000 3/17280 90.0 1.005 0.672 1.124 0.000 0.000 0.000 3/17280 100.0 0.901 0.595 1.000 0.000 0.000 0.000 3/17280 110.0 0.819 0.535 0.902 0.000 0.000 0.000 3/17280 120.0 0.752 0.487 0.822 0.000 0.000 0.000 3/17280 130.0 0.696 0.447 0.757 0.000 0.000 0.000 3/17280 140.0 0.648 0.414 0.701 0.000 0.000 0.000 3/17280 150.0 0.607 0.385 0.654 0.000 0.000 0.000 3/17280 160.0 0.571 0.361 0.612 0.000 0.000 0.000 3/17280 170.0 0.539 0.339 0.576 0.000 0.000 0.000 3/17280 180.0 0.511 0.320 0.544 0.000 0.000 0.000 3/17280 190.0 0.485 0.303 0.516 0.000 0.000 0.000 3/17280 200.0 0.462 0.288 0.490 0.000 0.000 0.000 3/17280 210.0 0.442 0.275 0.467 0.000 0.000 0.000 3/17280 220.0 0.423 0.262 0.446 0.000 0.000 0.000 3/17280 230.0 0.405 0.251 0.427 0.000 0.000 0.000 3/17280 240.0 0.389 0.241 0.409 0.000 0.000 0.000 3/17280 250.0 0.374 0.231 0.393 0.000 0.000 0.000 3/17280 260.0 0.361 0.222 0.378 0.000 0.000 0.000 3/17280 270.0 0.348 0.214 0.365 0.000 0.000 0.000 3/17280 280.0 0.336 0.207 0.352 0.000 0.000 0.000 3/17280 290.0 0.325 0.200 0.340 0.000 0.000 0.000 3/17280 300.0 0.314 0.193 0.329 0.000 0.000 0.000 3/17280 310.0 0.305 0.187 0.318 0.000 0.000 0.000 3/17280 320.0 0.295 0.181 0.308 0.000 0.000 0.000 3/17280 330.0 0.287 0.176 0.299 0.000 0.000 0.000 3/17280 340.0 0.279 0.171 0.290 0.000 0.000 0.000 3/17280 350.0 0.271 0.166 0.282 0.000 0.000 0.000 3/17280 360.0 0.264 0.162 0.275 0.000 0.000 0.000 3/17280 370.0 0.257 0.157 0.267 0.000 0.000 0.000 3/17280 380.0 0.250 0.153 0.260 0.000 0.000 0.000 3/17280 390.0 0.244 0.149 0.254 0.000 0.000 0.000 3/17280 400.0 0.238 0.146 0.247 0.000 0.000 0.000 3/17280 410.0 0.232 0.142 0.241 0.000 0.000 0.000 3/17280 420.0 0.227 0.139 0.236 0.000 0.000 0.000 3/17280 430.0 0.222 0.136 0.230 0.000 0.000 0.000 3/17280 440.0 0.217 0.133 0.225 0.000 0.000 0.000 3/17280 450.0 0.212 0.130 0.220 0.000 0.000 0.000 3/17280 460.0 0.208 0.127 0.215 0.000 0.000 0.000 3/17280 470.0 0.203 0.124 0.211 0.000 0.000 0.000 3/17280 480.0 0.199 0.122 0.207 0.000 0.000 0.000 3/17280 490.0 0.195 0.119 0.202 0.000 0.000 0.000 3/17280 500.0 0.191 0.117 0.198 0.000 0.000 0.000 3/17280 510.0 0.188 0.115 0.195 0.000 0.000 0.000 3/17280 520.0 0.184 0.112 0.191 0.000 0.000 0.000 3/17280 530.0 0.181 0.110 0.187 0.000 0.000 0.000 3/17280 540.0 0.177 0.108 0.184 0.000 0.000 0.000 3/17280 550.0 0.174 0.106 0.180 0.000 0.000 0.000 3/17280 560.0 0.171 0.104 0.177 0.000 0.000 0.000 3/17280 570.0 0.168 0.103 0.174 0.000 0.000 0.000 3/17280 580.0 0.165 0.101 0.171 0.000 0.000 0.000 3/17280 590.0 0.163 0.099 0.168 0.000 0.000 0.000 3/17280 600.0 0.160 0.098 0.166 0.000 0.000 0.000 3/17280 610.0 0.157 0.096 0.163 0.000 0.000 0.000 3/17280 620.0 0.155 0.094 0.160 0.000 0.000 0.000 3/17280 630.0 0.153 0.093 0.158 0.000 0.000 0.000 3/17280 640.0 0.150 0.092 0.155 0.000 0.000 0.000 3/17280 650.0 0.148 0.090 0.153 0.000 0.000 0.000 3/17280 660.0 0.146 0.089 0.151 0.000 0.000 0.000 3/17280 670.0 0.144 0.087 0.148 0.000 0.000 0.000 3/17280 680.0 0.141 0.086 0.146 0.000 0.000 0.000 3/17280 690.0 0.139 0.085 0.144 0.000 0.000 0.000 3/17280 700.0 0.137 0.084 0.142 0.000 0.000 0.000 3/17280 710.0 0.136 0.083 0.140 0.000 0.000 0.000 3/17280 720.0 0.134 0.081 0.138 0.000 0.000 0.000 3/17280 730.0 0.132 0.080 0.136 0.000 0.000 0.000 3/17280 740.0 0.130 0.079 0.134 0.000 0.000 0.000 3/17280 750.0 0.128 0.078 0.133 0.000 0.000 0.000 3/17280 760.0 0.127 0.077 0.131 0.000 0.000 0.000 3/17280 770.0 0.125 0.076 0.129 0.000 0.000 0.000 3/17280 780.0 0.123 0.075 0.128 0.000 0.000 0.000 3/17280 790.0 0.122 0.074 0.126 0.000 0.000 0.000 3/17280 800.0 0.120 0.073 0.124 0.000 0.000 0.000 3/17280 810.0 0.119 0.072 0.123 0.000 0.000 0.000 3/17280 820.0 0.118 0.072 0.121 0.000 0.000 0.000 3/17280 830.0 0.116 0.071 0.120 0.000 0.000 0.000 3/17280 840.0 0.115 0.070 0.118 0.000 0.000 0.000 3/17280 850.0 0.113 0.069 0.117 0.000 0.000 0.000 3/17280 860.0 0.112 0.068 0.116 0.000 0.000 0.000 3/17280 870.0 0.111 0.067 0.114 0.000 0.000 0.000 3/17280 880.0 0.110 0.067 0.113 0.000 0.000 0.000 3/17280 890.0 0.108 0.066 0.112 0.000 0.000 0.000 3/17280 900.0 0.107 0.065 0.111 0.000 0.000 0.000 3/17280 910.0 0.106 0.065 0.109 0.000 0.000 0.000 3/17280 920.0 0.105 0.064 0.108 0.000 0.000 0.000 3/17280 930.0 0.104 0.063 0.107 0.000 0.000 0.000 3/17280 940.0 0.103 0.062 0.106 0.000 0.000 0.000 3/17280 950.0 0.102 0.062 0.105 0.000 0.000 0.000 3/17280 960.0 0.101 0.061 0.104 0.000 0.000 0.000 3/17280 970.0 0.099 0.061 0.103 0.000 0.000 0.000 3/17280 980.0 0.098 0.060 0.102 0.000 0.000 0.000 3/17280 990.0 0.097 0.059 0.101 0.000 0.000 0.000 3/17280 1000.0 0.097 0.059 0.100 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 13:53:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|