----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:16:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.717206420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.477969440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.361589689999999 Atomic positions (fractional): *1 Bi 0.71309022312464 0.98939520055057 0.88001998334436 208.980 2 Bi 0.78690977687536 0.48939520055057 0.88001998334436 208.980 *3 Bi 0.25886232298849 0.77057465179137 0.86729395615697 208.980 4 Bi 0.24113767701151 0.27057465179137 0.86729395615697 208.980 5 Bi 0.74113767701151 0.27057465179137 0.63270604384303 208.980 6 Bi 0.75886232298849 0.77057465179137 0.63270604384303 208.980 7 Bi 0.28690977687536 0.48939520055057 0.61998001665564 208.980 8 Bi 0.21309022312464 0.98939520055057 0.61998001665564 208.980 9 Bi 0.71309022312464 0.51060479944943 0.38001998334435 208.980 10 Bi 0.78690977687536 0.01060479944943 0.38001998334435 208.980 11 Bi 0.24113767701151 0.22942534820863 0.36729395615697 208.980 12 Bi 0.25886232298849 0.72942534820863 0.36729395615697 208.980 13 Bi 0.75886232298849 0.72942534820863 0.13270604384303 208.980 14 Bi 0.74113767701151 0.22942534820863 0.13270604384303 208.980 15 Bi 0.28690977687536 0.01060479944943 0.11998001665565 208.980 16 Bi 0.21309022312464 0.51060479944943 0.11998001665565 208.980 *17 O 0.53091381403542 0.11592590787876 0.01243757472927 15.999 18 O 0.96908618596458 0.61592590787876 0.01243757472927 15.999 *19 O 0.48901997845105 0.37139309522486 0.74812979882604 15.999 20 O 0.01098002154895 0.87139309522486 0.74812979882604 15.999 21 O 0.51098002154895 0.87139309522486 0.75187020117396 15.999 22 O 0.98901997845105 0.37139309522486 0.75187020117396 15.999 23 O 0.03091381403542 0.11592590787876 0.48756242527073 15.999 24 O 0.46908618596458 0.61592590787876 0.48756242527073 15.999 25 O 0.53091381403542 0.38407409212124 0.51243757472927 15.999 26 O 0.96908618596458 0.88407409212124 0.51243757472927 15.999 27 O 0.01098002154895 0.62860690477514 0.24812979882604 15.999 28 O 0.48901997845105 0.12860690477514 0.24812979882604 15.999 29 O 0.51098002154895 0.62860690477514 0.25187020117396 15.999 30 O 0.98901997845105 0.12860690477514 0.25187020117396 15.999 31 O 0.03091381403542 0.38407409212124 0.98756242527073 15.999 32 O 0.46908618596458 0.88407409212124 0.98756242527073 15.999 *33 F 0.01676815322503 0.12748919850262 0.00458357983077 18.998 34 F 0.48323184677497 0.62748919850262 0.00458357983077 18.998 *35 F 0.02651287379624 0.12455146974179 0.74716082582119 18.998 36 F 0.47348712620376 0.62455146974179 0.74716082582119 18.998 37 F 0.52651287379624 0.12455146974179 0.75283917417881 18.998 38 F 0.97348712620376 0.62455146974179 0.75283917417881 18.998 39 F 0.98323184677497 0.62748919850262 0.49541642016922 18.998 40 F 0.51676815322503 0.12748919850262 0.49541642016922 18.998 41 F 0.01676815322503 0.37251080149738 0.50458357983077 18.998 42 F 0.48323184677497 0.87251080149738 0.50458357983077 18.998 43 F 0.02651287379624 0.37544853025821 0.24716082582119 18.998 44 F 0.47348712620376 0.87544853025821 0.24716082582119 18.998 45 F 0.97348712620376 0.87544853025821 0.25283917417881 18.998 46 F 0.52651287379624 0.37544853025821 0.25283917417881 18.998 47 F 0.98323184677497 0.87251080149738 0.99541642016923 18.998 48 F 0.51676815322503 0.37251080149738 0.99541642016923 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.717206420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.477969440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.361589689999999 Atomic positions (fractional): *1 Bi 0.71309022312464 0.98939520055057 0.88001998334436 208.980 > 1 2 Bi 0.78690977687536 0.48939520055057 0.88001998334436 208.980 > 2 *3 Bi 0.25886232298849 0.77057465179137 0.86729395615697 208.980 > 3 4 Bi 0.24113767701151 0.27057465179137 0.86729395615697 208.980 > 4 5 Bi 0.74113767701151 0.27057465179137 0.63270604384303 208.980 > 5 6 Bi 0.75886232298849 0.77057465179137 0.63270604384303 208.980 > 6 7 Bi 0.28690977687536 0.48939520055057 0.61998001665564 208.980 > 7 8 Bi 0.21309022312464 0.98939520055057 0.61998001665564 208.980 > 8 9 Bi 0.71309022312464 0.51060479944943 0.38001998334435 208.980 > 9 10 Bi 0.78690977687536 0.01060479944943 0.38001998334435 208.980 > 10 11 Bi 0.24113767701151 0.22942534820863 0.36729395615697 208.980 > 11 12 Bi 0.25886232298849 0.72942534820863 0.36729395615697 208.980 > 12 13 Bi 0.75886232298849 0.72942534820863 0.13270604384303 208.980 > 13 14 Bi 0.74113767701151 0.22942534820863 0.13270604384303 208.980 > 14 15 Bi 0.28690977687536 0.01060479944943 0.11998001665565 208.980 > 15 16 Bi 0.21309022312464 0.51060479944943 0.11998001665565 208.980 > 16 *17 O 0.53091381403542 0.11592590787876 0.01243757472927 15.999 > 17 18 O 0.96908618596458 0.61592590787876 0.01243757472927 15.999 > 18 *19 O 0.48901997845105 0.37139309522486 0.74812979882604 15.999 > 19 20 O 0.01098002154895 0.87139309522486 0.74812979882604 15.999 > 20 21 O 0.51098002154895 0.87139309522486 0.75187020117396 15.999 > 21 22 O 0.98901997845105 0.37139309522486 0.75187020117396 15.999 > 22 23 O 0.03091381403542 0.11592590787876 0.48756242527073 15.999 > 23 24 O 0.46908618596458 0.61592590787876 0.48756242527073 15.999 > 24 25 O 0.53091381403542 0.38407409212124 0.51243757472927 15.999 > 25 26 O 0.96908618596458 0.88407409212124 0.51243757472927 15.999 > 26 27 O 0.01098002154895 0.62860690477514 0.24812979882604 15.999 > 27 28 O 0.48901997845105 0.12860690477514 0.24812979882604 15.999 > 28 29 O 0.51098002154895 0.62860690477514 0.25187020117396 15.999 > 29 30 O 0.98901997845105 0.12860690477514 0.25187020117396 15.999 > 30 31 O 0.03091381403542 0.38407409212124 0.98756242527073 15.999 > 31 32 O 0.46908618596458 0.88407409212124 0.98756242527073 15.999 > 32 *33 F 0.01676815322503 0.12748919850262 0.00458357983077 18.998 > 33 34 F 0.48323184677497 0.62748919850262 0.00458357983077 18.998 > 34 *35 F 0.02651287379624 0.12455146974179 0.74716082582119 18.998 > 35 36 F 0.47348712620376 0.62455146974179 0.74716082582119 18.998 > 36 37 F 0.52651287379624 0.12455146974179 0.75283917417881 18.998 > 37 38 F 0.97348712620376 0.62455146974179 0.75283917417881 18.998 > 38 39 F 0.98323184677497 0.62748919850262 0.49541642016922 18.998 > 39 40 F 0.51676815322503 0.12748919850262 0.49541642016922 18.998 > 40 41 F 0.01676815322503 0.37251080149738 0.50458357983077 18.998 > 41 42 F 0.48323184677497 0.87251080149738 0.50458357983077 18.998 > 42 43 F 0.02651287379624 0.37544853025821 0.24716082582119 18.998 > 43 44 F 0.47348712620376 0.87544853025821 0.24716082582119 18.998 > 44 45 F 0.97348712620376 0.87544853025821 0.25283917417881 18.998 > 45 46 F 0.52651287379624 0.37544853025821 0.25283917417881 18.998 > 46 47 F 0.98323184677497 0.87251080149738 0.99541642016923 18.998 > 47 48 F 0.51676815322503 0.37251080149738 0.99541642016923 18.998 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.434412840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.477969440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.361589689999999 Atomic positions (fractional): *1 Bi 0.35654511156232 0.98939520055057 0.88001998334436 208.980 > 1 2 Bi 0.85654511156232 0.98939520055057 0.88001998334436 208.980 > 1 3 Bi 0.39345488843768 0.48939520055057 0.88001998334436 208.980 > 2 4 Bi 0.89345488843768 0.48939520055057 0.88001998334436 208.980 > 2 *5 Bi 0.12943116149425 0.77057465179137 0.86729395615697 208.980 > 3 6 Bi 0.62943116149425 0.77057465179137 0.86729395615697 208.980 > 3 7 Bi 0.12056883850575 0.27057465179137 0.86729395615697 208.980 > 4 8 Bi 0.62056883850575 0.27057465179137 0.86729395615697 208.980 > 4 9 Bi 0.37056883850575 0.27057465179137 0.63270604384303 208.980 > 5 10 Bi 0.87056883850575 0.27057465179137 0.63270604384303 208.980 > 5 11 Bi 0.37943116149425 0.77057465179137 0.63270604384303 208.980 > 6 12 Bi 0.87943116149425 0.77057465179137 0.63270604384303 208.980 > 6 13 Bi 0.14345488843768 0.48939520055057 0.61998001665564 208.980 > 7 14 Bi 0.64345488843768 0.48939520055057 0.61998001665564 208.980 > 7 15 Bi 0.10654511156232 0.98939520055057 0.61998001665564 208.980 > 8 16 Bi 0.60654511156232 0.98939520055057 0.61998001665564 208.980 > 8 17 Bi 0.35654511156232 0.51060479944943 0.38001998334435 208.980 > 9 18 Bi 0.85654511156232 0.51060479944943 0.38001998334435 208.980 > 9 19 Bi 0.39345488843768 0.01060479944943 0.38001998334435 208.980 > 10 20 Bi 0.89345488843768 0.01060479944943 0.38001998334435 208.980 > 10 21 Bi 0.12056883850575 0.22942534820863 0.36729395615697 208.980 > 11 22 Bi 0.62056883850575 0.22942534820863 0.36729395615697 208.980 > 11 23 Bi 0.12943116149425 0.72942534820863 0.36729395615697 208.980 > 12 24 Bi 0.62943116149425 0.72942534820863 0.36729395615697 208.980 > 12 25 Bi 0.37943116149425 0.72942534820863 0.13270604384303 208.980 > 13 26 Bi 0.87943116149425 0.72942534820863 0.13270604384303 208.980 > 13 27 Bi 0.37056883850575 0.22942534820863 0.13270604384303 208.980 > 14 28 Bi 0.87056883850575 0.22942534820863 0.13270604384303 208.980 > 14 29 Bi 0.14345488843768 0.01060479944943 0.11998001665565 208.980 > 15 30 Bi 0.64345488843768 0.01060479944943 0.11998001665565 208.980 > 15 31 Bi 0.10654511156232 0.51060479944943 0.11998001665565 208.980 > 16 32 Bi 0.60654511156232 0.51060479944943 0.11998001665565 208.980 > 16 *33 O 0.26545690701771 0.11592590787876 0.01243757472927 15.999 > 17 34 O 0.76545690701771 0.11592590787876 0.01243757472927 15.999 > 17 35 O 0.48454309298229 0.61592590787876 0.01243757472927 15.999 > 18 36 O 0.98454309298229 0.61592590787876 0.01243757472927 15.999 > 18 *37 O 0.24450998922553 0.37139309522486 0.74812979882604 15.999 > 19 38 O 0.74450998922553 0.37139309522486 0.74812979882604 15.999 > 19 39 O 0.00549001077447 0.87139309522486 0.74812979882604 15.999 > 20 40 O 0.50549001077447 0.87139309522486 0.74812979882604 15.999 > 20 41 O 0.25549001077447 0.87139309522486 0.75187020117396 15.999 > 21 42 O 0.75549001077447 0.87139309522486 0.75187020117396 15.999 > 21 43 O 0.49450998922553 0.37139309522486 0.75187020117396 15.999 > 22 44 O 0.99450998922553 0.37139309522486 0.75187020117396 15.999 > 22 45 O 0.01545690701771 0.11592590787876 0.48756242527073 15.999 > 23 46 O 0.51545690701771 0.11592590787876 0.48756242527073 15.999 > 23 47 O 0.23454309298229 0.61592590787876 0.48756242527073 15.999 > 24 48 O 0.73454309298229 0.61592590787876 0.48756242527073 15.999 > 24 49 O 0.26545690701771 0.38407409212124 0.51243757472927 15.999 > 25 50 O 0.76545690701771 0.38407409212124 0.51243757472927 15.999 > 25 51 O 0.48454309298229 0.88407409212124 0.51243757472927 15.999 > 26 52 O 0.98454309298229 0.88407409212124 0.51243757472927 15.999 > 26 53 O 0.00549001077447 0.62860690477514 0.24812979882604 15.999 > 27 54 O 0.50549001077447 0.62860690477514 0.24812979882604 15.999 > 27 55 O 0.24450998922553 0.12860690477514 0.24812979882604 15.999 > 28 56 O 0.74450998922553 0.12860690477514 0.24812979882604 15.999 > 28 57 O 0.25549001077447 0.62860690477514 0.25187020117396 15.999 > 29 58 O 0.75549001077447 0.62860690477514 0.25187020117396 15.999 > 29 59 O 0.49450998922553 0.12860690477514 0.25187020117396 15.999 > 30 60 O 0.99450998922553 0.12860690477514 0.25187020117396 15.999 > 30 61 O 0.01545690701771 0.38407409212124 0.98756242527073 15.999 > 31 62 O 0.51545690701771 0.38407409212124 0.98756242527073 15.999 > 31 63 O 0.23454309298229 0.88407409212124 0.98756242527073 15.999 > 32 64 O 0.73454309298229 0.88407409212124 0.98756242527073 15.999 > 32 *65 F 0.00838407661251 0.12748919850262 0.00458357983077 18.998 > 33 66 F 0.50838407661251 0.12748919850262 0.00458357983077 18.998 > 33 67 F 0.24161592338748 0.62748919850262 0.00458357983077 18.998 > 34 68 F 0.74161592338749 0.62748919850262 0.00458357983077 18.998 > 34 *69 F 0.01325643689812 0.12455146974179 0.74716082582119 18.998 > 35 70 F 0.51325643689812 0.12455146974179 0.74716082582119 18.998 > 35 71 F 0.23674356310188 0.62455146974179 0.74716082582119 18.998 > 36 72 F 0.73674356310188 0.62455146974179 0.74716082582119 18.998 > 36 73 F 0.26325643689812 0.12455146974179 0.75283917417881 18.998 > 37 74 F 0.76325643689812 0.12455146974179 0.75283917417881 18.998 > 37 75 F 0.48674356310188 0.62455146974179 0.75283917417881 18.998 > 38 76 F 0.98674356310188 0.62455146974179 0.75283917417881 18.998 > 38 77 F 0.49161592338748 0.62748919850262 0.49541642016922 18.998 > 39 78 F 0.99161592338749 0.62748919850262 0.49541642016922 18.998 > 39 79 F 0.25838407661252 0.12748919850262 0.49541642016922 18.998 > 40 80 F 0.75838407661251 0.12748919850262 0.49541642016922 18.998 > 40 81 F 0.00838407661251 0.37251080149738 0.50458357983077 18.998 > 41 82 F 0.50838407661251 0.37251080149738 0.50458357983077 18.998 > 41 83 F 0.24161592338748 0.87251080149738 0.50458357983077 18.998 > 42 84 F 0.74161592338749 0.87251080149738 0.50458357983077 18.998 > 42 85 F 0.01325643689812 0.37544853025821 0.24716082582119 18.998 > 43 86 F 0.51325643689812 0.37544853025821 0.24716082582119 18.998 > 43 87 F 0.23674356310188 0.87544853025821 0.24716082582119 18.998 > 44 88 F 0.73674356310188 0.87544853025821 0.24716082582119 18.998 > 44 89 F 0.48674356310188 0.87544853025821 0.25283917417881 18.998 > 45 90 F 0.98674356310188 0.87544853025821 0.25283917417881 18.998 > 45 91 F 0.26325643689812 0.37544853025821 0.25283917417881 18.998 > 46 92 F 0.76325643689812 0.37544853025821 0.25283917417881 18.998 > 46 93 F 0.49161592338748 0.87251080149738 0.99541642016923 18.998 > 47 94 F 0.99161592338749 0.87251080149738 0.99541642016923 18.998 > 47 95 F 0.25838407661252 0.37251080149738 0.99541642016923 18.998 > 48 96 F 0.75838407661251 0.37251080149738 0.99541642016923 18.998 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7302889 0.0000000 0.0000000 0.0000000 4.5837155 0.0000000 0.0000000 0.0000000 4.9420726 -------------------------- Born effective charges -------------------------- 1 Bi 3.9891632 -0.1135980 -0.2204755 -0.1604193 4.2768611 0.1624329 -0.4064034 0.7480944 4.6222802 2 Bi 3.9891632 0.1135980 0.2204755 0.1604193 4.2768611 0.1624329 0.4064034 0.7480944 4.6222802 3 Bi 4.5590240 0.1036547 0.2542580 0.3228508 4.0725477 -0.1387402 0.3205355 -0.2883314 4.4439756 4 Bi 4.5590240 -0.1036547 -0.2542580 -0.3228508 4.0725477 -0.1387402 -0.3205355 -0.2883314 4.4439756 5 Bi 4.5590240 -0.1036547 0.2542580 -0.3228508 4.0725477 0.1387402 0.3205355 0.2883314 4.4439756 6 Bi 4.5590240 0.1036547 -0.2542580 0.3228508 4.0725477 0.1387402 -0.3205355 0.2883314 4.4439756 7 Bi 3.9891632 0.1135980 -0.2204755 0.1604193 4.2768611 -0.1624329 -0.4064034 -0.7480944 4.6222802 8 Bi 3.9891632 -0.1135980 0.2204755 -0.1604193 4.2768611 -0.1624329 0.4064034 -0.7480944 4.6222802 9 Bi 3.9891632 0.1135980 -0.2204755 0.1604193 4.2768611 -0.1624329 -0.4064034 -0.7480944 4.6222802 10 Bi 3.9891632 -0.1135980 0.2204755 -0.1604193 4.2768611 -0.1624329 0.4064034 -0.7480944 4.6222802 11 Bi 4.5590240 0.1036547 -0.2542580 0.3228508 4.0725477 0.1387402 -0.3205355 0.2883314 4.4439756 12 Bi 4.5590240 -0.1036547 0.2542580 -0.3228508 4.0725477 0.1387402 0.3205355 0.2883314 4.4439756 13 Bi 4.5590240 -0.1036547 -0.2542580 -0.3228508 4.0725477 -0.1387402 -0.3205355 -0.2883314 4.4439756 14 Bi 4.5590240 0.1036547 0.2542580 0.3228508 4.0725477 -0.1387402 0.3205355 -0.2883314 4.4439756 15 Bi 3.9891632 -0.1135980 -0.2204755 -0.1604193 4.2768611 0.1624329 -0.4064034 0.7480944 4.6222802 16 Bi 3.9891632 0.1135980 0.2204755 0.1604193 4.2768611 0.1624329 0.4064034 0.7480944 4.6222802 17 O -2.1339222 -0.5821596 0.1783728 -0.3462316 -2.5319044 -0.5071367 0.3041629 -0.7390696 -2.8311444 18 O -2.1339222 0.5821596 -0.1783728 0.3462316 -2.5319044 -0.5071367 -0.3041629 -0.7390696 -2.8311444 19 O -2.9704578 -0.0453279 0.5177202 0.1973354 -1.9758612 0.3041405 0.2030455 0.3886266 -2.9290245 20 O -2.9704578 0.0453279 -0.5177202 -0.1973354 -1.9758612 0.3041405 -0.2030455 0.3886266 -2.9290245 21 O -2.9704578 0.0453279 0.5177202 -0.1973354 -1.9758612 -0.3041405 0.2030455 -0.3886266 -2.9290245 22 O -2.9704578 -0.0453279 -0.5177202 0.1973354 -1.9758612 -0.3041405 -0.2030455 -0.3886266 -2.9290245 23 O -2.1339222 -0.5821596 -0.1783728 -0.3462316 -2.5319044 0.5071367 -0.3041629 0.7390696 -2.8311444 24 O -2.1339222 0.5821596 0.1783728 0.3462316 -2.5319044 0.5071367 0.3041629 0.7390696 -2.8311444 25 O -2.1339222 0.5821596 0.1783728 0.3462316 -2.5319044 0.5071367 0.3041629 0.7390696 -2.8311444 26 O -2.1339222 -0.5821596 -0.1783728 -0.3462316 -2.5319044 0.5071367 -0.3041629 0.7390696 -2.8311444 27 O -2.9704578 -0.0453279 -0.5177202 0.1973354 -1.9758612 -0.3041405 -0.2030455 -0.3886266 -2.9290245 28 O -2.9704578 0.0453279 0.5177202 -0.1973354 -1.9758612 -0.3041405 0.2030455 -0.3886266 -2.9290245 29 O -2.9704578 -0.0453279 0.5177202 0.1973354 -1.9758612 0.3041405 0.2030455 0.3886266 -2.9290245 30 O -2.9704578 0.0453279 -0.5177202 -0.1973354 -1.9758612 0.3041405 -0.2030455 0.3886266 -2.9290245 31 O -2.1339222 0.5821596 -0.1783728 0.3462316 -2.5319044 -0.5071367 -0.3041629 -0.7390696 -2.8311444 32 O -2.1339222 -0.5821596 0.1783728 -0.3462316 -2.5319044 -0.5071367 0.3041629 -0.7390696 -2.8311444 33 F -2.0409916 0.3422246 0.0018153 0.0408111 -1.6043297 0.3528928 0.1929564 0.1490366 -1.7297712 34 F -2.0409916 -0.3422246 -0.0018153 -0.0408111 -1.6043297 0.3528928 -0.1929564 0.1490366 -1.7297712 35 F -1.4028157 0.0536442 -0.0155735 0.1468007 -2.2373135 -0.5324326 0.0298443 -0.4275858 -1.5763157 36 F -1.4028157 -0.0536442 0.0155735 -0.1468007 -2.2373135 -0.5324326 -0.0298443 -0.4275858 -1.5763157 37 F -1.4028157 0.0536442 0.0155735 0.1468007 -2.2373135 0.5324326 -0.0298443 0.4275858 -1.5763157 38 F -1.4028157 -0.0536442 -0.0155735 -0.1468007 -2.2373135 0.5324326 0.0298443 0.4275858 -1.5763157 39 F -2.0409916 -0.3422246 0.0018153 -0.0408111 -1.6043297 -0.3528928 0.1929564 -0.1490366 -1.7297712 40 F -2.0409916 0.3422246 -0.0018153 0.0408111 -1.6043297 -0.3528928 -0.1929564 -0.1490366 -1.7297712 41 F -2.0409916 -0.3422246 0.0018153 -0.0408111 -1.6043297 -0.3528928 0.1929564 -0.1490366 -1.7297712 42 F -2.0409916 0.3422246 -0.0018153 0.0408111 -1.6043297 -0.3528928 -0.1929564 -0.1490366 -1.7297712 43 F -1.4028157 -0.0536442 -0.0155735 -0.1468007 -2.2373135 0.5324326 0.0298443 0.4275858 -1.5763157 44 F -1.4028157 0.0536442 0.0155735 0.1468007 -2.2373135 0.5324326 -0.0298443 0.4275858 -1.5763157 45 F -1.4028157 0.0536442 -0.0155735 0.1468007 -2.2373135 -0.5324326 0.0298443 -0.4275858 -1.5763157 46 F -1.4028157 -0.0536442 0.0155735 -0.1468007 -2.2373135 -0.5324326 -0.0298443 -0.4275858 -1.5763157 47 F -2.0409916 0.3422246 0.0018153 0.0408111 -1.6043297 0.3528928 0.1929564 0.1490366 -1.7297712 48 F -2.0409916 -0.3422246 -0.0018153 -0.0408111 -1.6043297 0.3528928 -0.1929564 0.1490366 -1.7297712 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2646), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 23), data: (576, 35) @ (35, 23) |-- (76, 64), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 66), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 69), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.661 Solver_block: 200 / 720 - Time: 0.583 Solver_block: 300 / 720 - Time: 0.586 Solver_block: 400 / 720 - Time: 0.583 Solver_block: 500 / 720 - Time: 0.589 Solver_block: 600 / 720 - Time: 0.575 Solver_block: 700 / 720 - Time: 0.582 Solver_block: 720 / 720 - Time: 0.224 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.489 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2646), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 23), data: (576, 35) @ (35, 23) |-- (76, 64), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 66), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 69), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:17:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:17:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.717206420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.477969440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.361589689999999 Atomic positions (fractional): 1 Bi 0.71309022312464 0.98939520055057 0.88001998334436 208.980 2 Bi 0.78690977687536 0.48939520055057 0.88001998334436 208.980 3 Bi 0.25886232298849 0.77057465179137 0.86729395615697 208.980 4 Bi 0.24113767701151 0.27057465179137 0.86729395615697 208.980 5 Bi 0.74113767701151 0.27057465179137 0.63270604384303 208.980 6 Bi 0.75886232298849 0.77057465179137 0.63270604384303 208.980 7 Bi 0.28690977687536 0.48939520055057 0.61998001665564 208.980 8 Bi 0.21309022312464 0.98939520055057 0.61998001665564 208.980 9 Bi 0.71309022312464 0.51060479944943 0.38001998334435 208.980 10 Bi 0.78690977687536 0.01060479944943 0.38001998334435 208.980 11 Bi 0.24113767701151 0.22942534820863 0.36729395615697 208.980 12 Bi 0.25886232298849 0.72942534820863 0.36729395615697 208.980 13 Bi 0.75886232298849 0.72942534820863 0.13270604384303 208.980 14 Bi 0.74113767701151 0.22942534820863 0.13270604384303 208.980 15 Bi 0.28690977687536 0.01060479944943 0.11998001665565 208.980 16 Bi 0.21309022312464 0.51060479944943 0.11998001665565 208.980 17 O 0.53091381403542 0.11592590787876 0.01243757472927 15.999 18 O 0.96908618596458 0.61592590787876 0.01243757472927 15.999 19 O 0.48901997845105 0.37139309522486 0.74812979882604 15.999 20 O 0.01098002154895 0.87139309522486 0.74812979882604 15.999 21 O 0.51098002154895 0.87139309522486 0.75187020117396 15.999 22 O 0.98901997845105 0.37139309522486 0.75187020117396 15.999 23 O 0.03091381403542 0.11592590787876 0.48756242527073 15.999 24 O 0.46908618596458 0.61592590787876 0.48756242527073 15.999 25 O 0.53091381403542 0.38407409212124 0.51243757472927 15.999 26 O 0.96908618596458 0.88407409212124 0.51243757472927 15.999 27 O 0.01098002154895 0.62860690477514 0.24812979882604 15.999 28 O 0.48901997845105 0.12860690477514 0.24812979882604 15.999 29 O 0.51098002154895 0.62860690477514 0.25187020117396 15.999 30 O 0.98901997845105 0.12860690477514 0.25187020117396 15.999 31 O 0.03091381403542 0.38407409212124 0.98756242527073 15.999 32 O 0.46908618596458 0.88407409212124 0.98756242527073 15.999 33 F 0.01676815322503 0.12748919850262 0.00458357983077 18.998 34 F 0.48323184677497 0.62748919850262 0.00458357983077 18.998 35 F 0.02651287379624 0.12455146974179 0.74716082582119 18.998 36 F 0.47348712620376 0.62455146974179 0.74716082582119 18.998 37 F 0.52651287379624 0.12455146974179 0.75283917417881 18.998 38 F 0.97348712620376 0.62455146974179 0.75283917417881 18.998 39 F 0.98323184677497 0.62748919850262 0.49541642016922 18.998 40 F 0.51676815322503 0.12748919850262 0.49541642016922 18.998 41 F 0.01676815322503 0.37251080149738 0.50458357983077 18.998 42 F 0.48323184677497 0.87251080149738 0.50458357983077 18.998 43 F 0.02651287379624 0.37544853025821 0.24716082582119 18.998 44 F 0.47348712620376 0.87544853025821 0.24716082582119 18.998 45 F 0.97348712620376 0.87544853025821 0.25283917417881 18.998 46 F 0.52651287379624 0.37544853025821 0.25283917417881 18.998 47 F 0.98323184677497 0.87251080149738 0.99541642016923 18.998 48 F 0.51676815322503 0.37251080149738 0.99541642016923 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.434412840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.477969440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.361589689999999 Atomic positions (fractional): 1 Bi 0.35654511156232 0.98939520055057 0.88001998334436 208.980 > 1 2 Bi 0.85654511156232 0.98939520055057 0.88001998334436 208.980 > 1 3 Bi 0.39345488843768 0.48939520055057 0.88001998334436 208.980 > 3 4 Bi 0.89345488843768 0.48939520055057 0.88001998334436 208.980 > 3 5 Bi 0.12943116149425 0.77057465179137 0.86729395615697 208.980 > 5 6 Bi 0.62943116149425 0.77057465179137 0.86729395615697 208.980 > 5 7 Bi 0.12056883850575 0.27057465179137 0.86729395615697 208.980 > 7 8 Bi 0.62056883850575 0.27057465179137 0.86729395615697 208.980 > 7 9 Bi 0.37056883850575 0.27057465179137 0.63270604384303 208.980 > 9 10 Bi 0.87056883850575 0.27057465179137 0.63270604384303 208.980 > 9 11 Bi 0.37943116149425 0.77057465179137 0.63270604384303 208.980 > 11 12 Bi 0.87943116149425 0.77057465179137 0.63270604384303 208.980 > 11 13 Bi 0.14345488843768 0.48939520055057 0.61998001665564 208.980 > 13 14 Bi 0.64345488843768 0.48939520055057 0.61998001665564 208.980 > 13 15 Bi 0.10654511156232 0.98939520055057 0.61998001665564 208.980 > 15 16 Bi 0.60654511156232 0.98939520055057 0.61998001665564 208.980 > 15 17 Bi 0.35654511156232 0.51060479944943 0.38001998334435 208.980 > 17 18 Bi 0.85654511156232 0.51060479944943 0.38001998334435 208.980 > 17 19 Bi 0.39345488843768 0.01060479944943 0.38001998334435 208.980 > 19 20 Bi 0.89345488843768 0.01060479944943 0.38001998334435 208.980 > 19 21 Bi 0.12056883850575 0.22942534820863 0.36729395615697 208.980 > 21 22 Bi 0.62056883850575 0.22942534820863 0.36729395615697 208.980 > 21 23 Bi 0.12943116149425 0.72942534820863 0.36729395615697 208.980 > 23 24 Bi 0.62943116149425 0.72942534820863 0.36729395615697 208.980 > 23 25 Bi 0.37943116149425 0.72942534820863 0.13270604384303 208.980 > 25 26 Bi 0.87943116149425 0.72942534820863 0.13270604384303 208.980 > 25 27 Bi 0.37056883850575 0.22942534820863 0.13270604384303 208.980 > 27 28 Bi 0.87056883850575 0.22942534820863 0.13270604384303 208.980 > 27 29 Bi 0.14345488843768 0.01060479944943 0.11998001665565 208.980 > 29 30 Bi 0.64345488843768 0.01060479944943 0.11998001665565 208.980 > 29 31 Bi 0.10654511156232 0.51060479944943 0.11998001665565 208.980 > 31 32 Bi 0.60654511156232 0.51060479944943 0.11998001665565 208.980 > 31 33 O 0.26545690701771 0.11592590787876 0.01243757472927 15.999 > 33 34 O 0.76545690701771 0.11592590787876 0.01243757472927 15.999 > 33 35 O 0.48454309298229 0.61592590787876 0.01243757472927 15.999 > 35 36 O 0.98454309298229 0.61592590787876 0.01243757472927 15.999 > 35 37 O 0.24450998922553 0.37139309522486 0.74812979882604 15.999 > 37 38 O 0.74450998922553 0.37139309522486 0.74812979882604 15.999 > 37 39 O 0.00549001077447 0.87139309522486 0.74812979882604 15.999 > 39 40 O 0.50549001077447 0.87139309522486 0.74812979882604 15.999 > 39 41 O 0.25549001077447 0.87139309522486 0.75187020117396 15.999 > 41 42 O 0.75549001077447 0.87139309522486 0.75187020117396 15.999 > 41 43 O 0.49450998922553 0.37139309522486 0.75187020117396 15.999 > 43 44 O 0.99450998922553 0.37139309522486 0.75187020117396 15.999 > 43 45 O 0.01545690701771 0.11592590787876 0.48756242527073 15.999 > 45 46 O 0.51545690701771 0.11592590787876 0.48756242527073 15.999 > 45 47 O 0.23454309298229 0.61592590787876 0.48756242527073 15.999 > 47 48 O 0.73454309298229 0.61592590787876 0.48756242527073 15.999 > 47 49 O 0.26545690701771 0.38407409212124 0.51243757472927 15.999 > 49 50 O 0.76545690701771 0.38407409212124 0.51243757472927 15.999 > 49 51 O 0.48454309298229 0.88407409212124 0.51243757472927 15.999 > 51 52 O 0.98454309298229 0.88407409212124 0.51243757472927 15.999 > 51 53 O 0.00549001077447 0.62860690477514 0.24812979882604 15.999 > 53 54 O 0.50549001077447 0.62860690477514 0.24812979882604 15.999 > 53 55 O 0.24450998922553 0.12860690477514 0.24812979882604 15.999 > 55 56 O 0.74450998922553 0.12860690477514 0.24812979882604 15.999 > 55 57 O 0.25549001077447 0.62860690477514 0.25187020117396 15.999 > 57 58 O 0.75549001077447 0.62860690477514 0.25187020117396 15.999 > 57 59 O 0.49450998922553 0.12860690477514 0.25187020117396 15.999 > 59 60 O 0.99450998922553 0.12860690477514 0.25187020117396 15.999 > 59 61 O 0.01545690701771 0.38407409212124 0.98756242527073 15.999 > 61 62 O 0.51545690701771 0.38407409212124 0.98756242527073 15.999 > 61 63 O 0.23454309298229 0.88407409212124 0.98756242527073 15.999 > 63 64 O 0.73454309298229 0.88407409212124 0.98756242527073 15.999 > 63 65 F 0.00838407661251 0.12748919850262 0.00458357983077 18.998 > 65 66 F 0.50838407661251 0.12748919850262 0.00458357983077 18.998 > 65 67 F 0.24161592338748 0.62748919850262 0.00458357983077 18.998 > 67 68 F 0.74161592338749 0.62748919850262 0.00458357983077 18.998 > 67 69 F 0.01325643689812 0.12455146974179 0.74716082582119 18.998 > 69 70 F 0.51325643689812 0.12455146974179 0.74716082582119 18.998 > 69 71 F 0.23674356310188 0.62455146974179 0.74716082582119 18.998 > 71 72 F 0.73674356310188 0.62455146974179 0.74716082582119 18.998 > 71 73 F 0.26325643689812 0.12455146974179 0.75283917417881 18.998 > 73 74 F 0.76325643689812 0.12455146974179 0.75283917417881 18.998 > 73 75 F 0.48674356310188 0.62455146974179 0.75283917417881 18.998 > 75 76 F 0.98674356310188 0.62455146974179 0.75283917417881 18.998 > 75 77 F 0.49161592338748 0.62748919850262 0.49541642016922 18.998 > 77 78 F 0.99161592338749 0.62748919850262 0.49541642016922 18.998 > 77 79 F 0.25838407661252 0.12748919850262 0.49541642016922 18.998 > 79 80 F 0.75838407661251 0.12748919850262 0.49541642016922 18.998 > 79 81 F 0.00838407661251 0.37251080149738 0.50458357983077 18.998 > 81 82 F 0.50838407661251 0.37251080149738 0.50458357983077 18.998 > 81 83 F 0.24161592338748 0.87251080149738 0.50458357983077 18.998 > 83 84 F 0.74161592338749 0.87251080149738 0.50458357983077 18.998 > 83 85 F 0.01325643689812 0.37544853025821 0.24716082582119 18.998 > 85 86 F 0.51325643689812 0.37544853025821 0.24716082582119 18.998 > 85 87 F 0.23674356310188 0.87544853025821 0.24716082582119 18.998 > 87 88 F 0.73674356310188 0.87544853025821 0.24716082582119 18.998 > 87 89 F 0.48674356310188 0.87544853025821 0.25283917417881 18.998 > 89 90 F 0.98674356310188 0.87544853025821 0.25283917417881 18.998 > 89 91 F 0.26325643689812 0.37544853025821 0.25283917417881 18.998 > 91 92 F 0.76325643689812 0.37544853025821 0.25283917417881 18.998 > 91 93 F 0.49161592338748 0.87251080149738 0.99541642016923 18.998 > 93 94 F 0.99161592338749 0.87251080149738 0.99541642016923 18.998 > 93 95 F 0.25838407661252 0.37251080149738 0.99541642016923 18.998 > 95 96 F 0.75838407661251 0.37251080149738 0.99541642016923 18.998 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7302889 0.0000000 0.0000000 0.0000000 4.5837155 0.0000000 0.0000000 0.0000000 4.9420726 -------------------------- Born effective charges -------------------------- 1 Bi 3.9891632 -0.1135980 -0.2204755 -0.1604193 4.2768611 0.1624329 -0.4064034 0.7480944 4.6222802 2 Bi 3.9891632 0.1135980 0.2204755 0.1604193 4.2768611 0.1624329 0.4064034 0.7480944 4.6222802 3 Bi 4.5590240 0.1036547 0.2542580 0.3228508 4.0725477 -0.1387402 0.3205355 -0.2883314 4.4439756 4 Bi 4.5590240 -0.1036547 -0.2542580 -0.3228508 4.0725477 -0.1387402 -0.3205355 -0.2883314 4.4439756 5 Bi 4.5590240 -0.1036547 0.2542580 -0.3228508 4.0725477 0.1387402 0.3205355 0.2883314 4.4439756 6 Bi 4.5590240 0.1036547 -0.2542580 0.3228508 4.0725477 0.1387402 -0.3205355 0.2883314 4.4439756 7 Bi 3.9891632 0.1135980 -0.2204755 0.1604193 4.2768611 -0.1624329 -0.4064034 -0.7480944 4.6222802 8 Bi 3.9891632 -0.1135980 0.2204755 -0.1604193 4.2768611 -0.1624329 0.4064034 -0.7480944 4.6222802 9 Bi 3.9891632 0.1135980 -0.2204755 0.1604193 4.2768611 -0.1624329 -0.4064034 -0.7480944 4.6222802 10 Bi 3.9891632 -0.1135980 0.2204755 -0.1604193 4.2768611 -0.1624329 0.4064034 -0.7480944 4.6222802 11 Bi 4.5590240 0.1036547 -0.2542580 0.3228508 4.0725477 0.1387402 -0.3205355 0.2883314 4.4439756 12 Bi 4.5590240 -0.1036547 0.2542580 -0.3228508 4.0725477 0.1387402 0.3205355 0.2883314 4.4439756 13 Bi 4.5590240 -0.1036547 -0.2542580 -0.3228508 4.0725477 -0.1387402 -0.3205355 -0.2883314 4.4439756 14 Bi 4.5590240 0.1036547 0.2542580 0.3228508 4.0725477 -0.1387402 0.3205355 -0.2883314 4.4439756 15 Bi 3.9891632 -0.1135980 -0.2204755 -0.1604193 4.2768611 0.1624329 -0.4064034 0.7480944 4.6222802 16 Bi 3.9891632 0.1135980 0.2204755 0.1604193 4.2768611 0.1624329 0.4064034 0.7480944 4.6222802 17 O -2.1339222 -0.5821596 0.1783728 -0.3462316 -2.5319044 -0.5071367 0.3041629 -0.7390696 -2.8311444 18 O -2.1339222 0.5821596 -0.1783728 0.3462316 -2.5319044 -0.5071367 -0.3041629 -0.7390696 -2.8311444 19 O -2.9704578 -0.0453279 0.5177202 0.1973354 -1.9758612 0.3041405 0.2030455 0.3886266 -2.9290245 20 O -2.9704578 0.0453279 -0.5177202 -0.1973354 -1.9758612 0.3041405 -0.2030455 0.3886266 -2.9290245 21 O -2.9704578 0.0453279 0.5177202 -0.1973354 -1.9758612 -0.3041405 0.2030455 -0.3886266 -2.9290245 22 O -2.9704578 -0.0453279 -0.5177202 0.1973354 -1.9758612 -0.3041405 -0.2030455 -0.3886266 -2.9290245 23 O -2.1339222 -0.5821596 -0.1783728 -0.3462316 -2.5319044 0.5071367 -0.3041629 0.7390696 -2.8311444 24 O -2.1339222 0.5821596 0.1783728 0.3462316 -2.5319044 0.5071367 0.3041629 0.7390696 -2.8311444 25 O -2.1339222 0.5821596 0.1783728 0.3462316 -2.5319044 0.5071367 0.3041629 0.7390696 -2.8311444 26 O -2.1339222 -0.5821596 -0.1783728 -0.3462316 -2.5319044 0.5071367 -0.3041629 0.7390696 -2.8311444 27 O -2.9704578 -0.0453279 -0.5177202 0.1973354 -1.9758612 -0.3041405 -0.2030455 -0.3886266 -2.9290245 28 O -2.9704578 0.0453279 0.5177202 -0.1973354 -1.9758612 -0.3041405 0.2030455 -0.3886266 -2.9290245 29 O -2.9704578 -0.0453279 0.5177202 0.1973354 -1.9758612 0.3041405 0.2030455 0.3886266 -2.9290245 30 O -2.9704578 0.0453279 -0.5177202 -0.1973354 -1.9758612 0.3041405 -0.2030455 0.3886266 -2.9290245 31 O -2.1339222 0.5821596 -0.1783728 0.3462316 -2.5319044 -0.5071367 -0.3041629 -0.7390696 -2.8311444 32 O -2.1339222 -0.5821596 0.1783728 -0.3462316 -2.5319044 -0.5071367 0.3041629 -0.7390696 -2.8311444 33 F -2.0409916 0.3422246 0.0018153 0.0408111 -1.6043297 0.3528928 0.1929564 0.1490366 -1.7297712 34 F -2.0409916 -0.3422246 -0.0018153 -0.0408111 -1.6043297 0.3528928 -0.1929564 0.1490366 -1.7297712 35 F -1.4028157 0.0536442 -0.0155735 0.1468007 -2.2373135 -0.5324326 0.0298443 -0.4275858 -1.5763157 36 F -1.4028157 -0.0536442 0.0155735 -0.1468007 -2.2373135 -0.5324326 -0.0298443 -0.4275858 -1.5763157 37 F -1.4028157 0.0536442 0.0155735 0.1468007 -2.2373135 0.5324326 -0.0298443 0.4275858 -1.5763157 38 F -1.4028157 -0.0536442 -0.0155735 -0.1468007 -2.2373135 0.5324326 0.0298443 0.4275858 -1.5763157 39 F -2.0409916 -0.3422246 0.0018153 -0.0408111 -1.6043297 -0.3528928 0.1929564 -0.1490366 -1.7297712 40 F -2.0409916 0.3422246 -0.0018153 0.0408111 -1.6043297 -0.3528928 -0.1929564 -0.1490366 -1.7297712 41 F -2.0409916 -0.3422246 0.0018153 -0.0408111 -1.6043297 -0.3528928 0.1929564 -0.1490366 -1.7297712 42 F -2.0409916 0.3422246 -0.0018153 0.0408111 -1.6043297 -0.3528928 -0.1929564 -0.1490366 -1.7297712 43 F -1.4028157 -0.0536442 -0.0155735 -0.1468007 -2.2373135 0.5324326 0.0298443 0.4275858 -1.5763157 44 F -1.4028157 0.0536442 0.0155735 0.1468007 -2.2373135 0.5324326 -0.0298443 0.4275858 -1.5763157 45 F -1.4028157 0.0536442 -0.0155735 0.1468007 -2.2373135 -0.5324326 0.0298443 -0.4275858 -1.5763157 46 F -1.4028157 -0.0536442 0.0155735 -0.1468007 -2.2373135 -0.5324326 -0.0298443 -0.4275858 -1.5763157 47 F -2.0409916 0.3422246 0.0018153 0.0408111 -1.6043297 0.3528928 0.1929564 0.1490366 -1.7297712 48 F -2.0409916 -0.3422246 -0.0018153 -0.0408111 -1.6043297 0.3528928 -0.1929564 0.1490366 -1.7297712 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:17:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:17:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.717206420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.477969440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.361589689999999 Atomic positions (fractional): 1 Bi 0.71309022312464 0.98939520055057 0.88001998334436 208.980 2 Bi 0.78690977687536 0.48939520055057 0.88001998334436 208.980 3 Bi 0.25886232298849 0.77057465179137 0.86729395615697 208.980 4 Bi 0.24113767701151 0.27057465179137 0.86729395615697 208.980 5 Bi 0.74113767701151 0.27057465179137 0.63270604384303 208.980 6 Bi 0.75886232298849 0.77057465179137 0.63270604384303 208.980 7 Bi 0.28690977687536 0.48939520055057 0.61998001665564 208.980 8 Bi 0.21309022312464 0.98939520055057 0.61998001665564 208.980 9 Bi 0.71309022312464 0.51060479944943 0.38001998334435 208.980 10 Bi 0.78690977687536 0.01060479944943 0.38001998334435 208.980 11 Bi 0.24113767701151 0.22942534820863 0.36729395615697 208.980 12 Bi 0.25886232298849 0.72942534820863 0.36729395615697 208.980 13 Bi 0.75886232298849 0.72942534820863 0.13270604384303 208.980 14 Bi 0.74113767701151 0.22942534820863 0.13270604384303 208.980 15 Bi 0.28690977687536 0.01060479944943 0.11998001665565 208.980 16 Bi 0.21309022312464 0.51060479944943 0.11998001665565 208.980 17 O 0.53091381403542 0.11592590787876 0.01243757472927 15.999 18 O 0.96908618596458 0.61592590787876 0.01243757472927 15.999 19 O 0.48901997845105 0.37139309522486 0.74812979882604 15.999 20 O 0.01098002154895 0.87139309522486 0.74812979882604 15.999 21 O 0.51098002154895 0.87139309522486 0.75187020117396 15.999 22 O 0.98901997845105 0.37139309522486 0.75187020117396 15.999 23 O 0.03091381403542 0.11592590787876 0.48756242527073 15.999 24 O 0.46908618596458 0.61592590787876 0.48756242527073 15.999 25 O 0.53091381403542 0.38407409212124 0.51243757472927 15.999 26 O 0.96908618596458 0.88407409212124 0.51243757472927 15.999 27 O 0.01098002154895 0.62860690477514 0.24812979882604 15.999 28 O 0.48901997845105 0.12860690477514 0.24812979882604 15.999 29 O 0.51098002154895 0.62860690477514 0.25187020117396 15.999 30 O 0.98901997845105 0.12860690477514 0.25187020117396 15.999 31 O 0.03091381403542 0.38407409212124 0.98756242527073 15.999 32 O 0.46908618596458 0.88407409212124 0.98756242527073 15.999 33 F 0.01676815322503 0.12748919850262 0.00458357983077 18.998 34 F 0.48323184677497 0.62748919850262 0.00458357983077 18.998 35 F 0.02651287379624 0.12455146974179 0.74716082582119 18.998 36 F 0.47348712620376 0.62455146974179 0.74716082582119 18.998 37 F 0.52651287379624 0.12455146974179 0.75283917417881 18.998 38 F 0.97348712620376 0.62455146974179 0.75283917417881 18.998 39 F 0.98323184677497 0.62748919850262 0.49541642016922 18.998 40 F 0.51676815322503 0.12748919850262 0.49541642016922 18.998 41 F 0.01676815322503 0.37251080149738 0.50458357983077 18.998 42 F 0.48323184677497 0.87251080149738 0.50458357983077 18.998 43 F 0.02651287379624 0.37544853025821 0.24716082582119 18.998 44 F 0.47348712620376 0.87544853025821 0.24716082582119 18.998 45 F 0.97348712620376 0.87544853025821 0.25283917417881 18.998 46 F 0.52651287379624 0.37544853025821 0.25283917417881 18.998 47 F 0.98323184677497 0.87251080149738 0.99541642016923 18.998 48 F 0.51676815322503 0.37251080149738 0.99541642016923 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.434412840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.477969440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.361589689999999 Atomic positions (fractional): 1 Bi 0.35654511156232 0.98939520055057 0.88001998334436 208.980 > 1 2 Bi 0.85654511156232 0.98939520055057 0.88001998334436 208.980 > 1 3 Bi 0.39345488843768 0.48939520055057 0.88001998334436 208.980 > 3 4 Bi 0.89345488843768 0.48939520055057 0.88001998334436 208.980 > 3 5 Bi 0.12943116149425 0.77057465179137 0.86729395615697 208.980 > 5 6 Bi 0.62943116149425 0.77057465179137 0.86729395615697 208.980 > 5 7 Bi 0.12056883850575 0.27057465179137 0.86729395615697 208.980 > 7 8 Bi 0.62056883850575 0.27057465179137 0.86729395615697 208.980 > 7 9 Bi 0.37056883850575 0.27057465179137 0.63270604384303 208.980 > 9 10 Bi 0.87056883850575 0.27057465179137 0.63270604384303 208.980 > 9 11 Bi 0.37943116149425 0.77057465179137 0.63270604384303 208.980 > 11 12 Bi 0.87943116149425 0.77057465179137 0.63270604384303 208.980 > 11 13 Bi 0.14345488843768 0.48939520055057 0.61998001665564 208.980 > 13 14 Bi 0.64345488843768 0.48939520055057 0.61998001665564 208.980 > 13 15 Bi 0.10654511156232 0.98939520055057 0.61998001665564 208.980 > 15 16 Bi 0.60654511156232 0.98939520055057 0.61998001665564 208.980 > 15 17 Bi 0.35654511156232 0.51060479944943 0.38001998334435 208.980 > 17 18 Bi 0.85654511156232 0.51060479944943 0.38001998334435 208.980 > 17 19 Bi 0.39345488843768 0.01060479944943 0.38001998334435 208.980 > 19 20 Bi 0.89345488843768 0.01060479944943 0.38001998334435 208.980 > 19 21 Bi 0.12056883850575 0.22942534820863 0.36729395615697 208.980 > 21 22 Bi 0.62056883850575 0.22942534820863 0.36729395615697 208.980 > 21 23 Bi 0.12943116149425 0.72942534820863 0.36729395615697 208.980 > 23 24 Bi 0.62943116149425 0.72942534820863 0.36729395615697 208.980 > 23 25 Bi 0.37943116149425 0.72942534820863 0.13270604384303 208.980 > 25 26 Bi 0.87943116149425 0.72942534820863 0.13270604384303 208.980 > 25 27 Bi 0.37056883850575 0.22942534820863 0.13270604384303 208.980 > 27 28 Bi 0.87056883850575 0.22942534820863 0.13270604384303 208.980 > 27 29 Bi 0.14345488843768 0.01060479944943 0.11998001665565 208.980 > 29 30 Bi 0.64345488843768 0.01060479944943 0.11998001665565 208.980 > 29 31 Bi 0.10654511156232 0.51060479944943 0.11998001665565 208.980 > 31 32 Bi 0.60654511156232 0.51060479944943 0.11998001665565 208.980 > 31 33 O 0.26545690701771 0.11592590787876 0.01243757472927 15.999 > 33 34 O 0.76545690701771 0.11592590787876 0.01243757472927 15.999 > 33 35 O 0.48454309298229 0.61592590787876 0.01243757472927 15.999 > 35 36 O 0.98454309298229 0.61592590787876 0.01243757472927 15.999 > 35 37 O 0.24450998922553 0.37139309522486 0.74812979882604 15.999 > 37 38 O 0.74450998922553 0.37139309522486 0.74812979882604 15.999 > 37 39 O 0.00549001077447 0.87139309522486 0.74812979882604 15.999 > 39 40 O 0.50549001077447 0.87139309522486 0.74812979882604 15.999 > 39 41 O 0.25549001077447 0.87139309522486 0.75187020117396 15.999 > 41 42 O 0.75549001077447 0.87139309522486 0.75187020117396 15.999 > 41 43 O 0.49450998922553 0.37139309522486 0.75187020117396 15.999 > 43 44 O 0.99450998922553 0.37139309522486 0.75187020117396 15.999 > 43 45 O 0.01545690701771 0.11592590787876 0.48756242527073 15.999 > 45 46 O 0.51545690701771 0.11592590787876 0.48756242527073 15.999 > 45 47 O 0.23454309298229 0.61592590787876 0.48756242527073 15.999 > 47 48 O 0.73454309298229 0.61592590787876 0.48756242527073 15.999 > 47 49 O 0.26545690701771 0.38407409212124 0.51243757472927 15.999 > 49 50 O 0.76545690701771 0.38407409212124 0.51243757472927 15.999 > 49 51 O 0.48454309298229 0.88407409212124 0.51243757472927 15.999 > 51 52 O 0.98454309298229 0.88407409212124 0.51243757472927 15.999 > 51 53 O 0.00549001077447 0.62860690477514 0.24812979882604 15.999 > 53 54 O 0.50549001077447 0.62860690477514 0.24812979882604 15.999 > 53 55 O 0.24450998922553 0.12860690477514 0.24812979882604 15.999 > 55 56 O 0.74450998922553 0.12860690477514 0.24812979882604 15.999 > 55 57 O 0.25549001077447 0.62860690477514 0.25187020117396 15.999 > 57 58 O 0.75549001077447 0.62860690477514 0.25187020117396 15.999 > 57 59 O 0.49450998922553 0.12860690477514 0.25187020117396 15.999 > 59 60 O 0.99450998922553 0.12860690477514 0.25187020117396 15.999 > 59 61 O 0.01545690701771 0.38407409212124 0.98756242527073 15.999 > 61 62 O 0.51545690701771 0.38407409212124 0.98756242527073 15.999 > 61 63 O 0.23454309298229 0.88407409212124 0.98756242527073 15.999 > 63 64 O 0.73454309298229 0.88407409212124 0.98756242527073 15.999 > 63 65 F 0.00838407661251 0.12748919850262 0.00458357983077 18.998 > 65 66 F 0.50838407661251 0.12748919850262 0.00458357983077 18.998 > 65 67 F 0.24161592338748 0.62748919850262 0.00458357983077 18.998 > 67 68 F 0.74161592338749 0.62748919850262 0.00458357983077 18.998 > 67 69 F 0.01325643689812 0.12455146974179 0.74716082582119 18.998 > 69 70 F 0.51325643689812 0.12455146974179 0.74716082582119 18.998 > 69 71 F 0.23674356310188 0.62455146974179 0.74716082582119 18.998 > 71 72 F 0.73674356310188 0.62455146974179 0.74716082582119 18.998 > 71 73 F 0.26325643689812 0.12455146974179 0.75283917417881 18.998 > 73 74 F 0.76325643689812 0.12455146974179 0.75283917417881 18.998 > 73 75 F 0.48674356310188 0.62455146974179 0.75283917417881 18.998 > 75 76 F 0.98674356310188 0.62455146974179 0.75283917417881 18.998 > 75 77 F 0.49161592338748 0.62748919850262 0.49541642016922 18.998 > 77 78 F 0.99161592338749 0.62748919850262 0.49541642016922 18.998 > 77 79 F 0.25838407661252 0.12748919850262 0.49541642016922 18.998 > 79 80 F 0.75838407661251 0.12748919850262 0.49541642016922 18.998 > 79 81 F 0.00838407661251 0.37251080149738 0.50458357983077 18.998 > 81 82 F 0.50838407661251 0.37251080149738 0.50458357983077 18.998 > 81 83 F 0.24161592338748 0.87251080149738 0.50458357983077 18.998 > 83 84 F 0.74161592338749 0.87251080149738 0.50458357983077 18.998 > 83 85 F 0.01325643689812 0.37544853025821 0.24716082582119 18.998 > 85 86 F 0.51325643689812 0.37544853025821 0.24716082582119 18.998 > 85 87 F 0.23674356310188 0.87544853025821 0.24716082582119 18.998 > 87 88 F 0.73674356310188 0.87544853025821 0.24716082582119 18.998 > 87 89 F 0.48674356310188 0.87544853025821 0.25283917417881 18.998 > 89 90 F 0.98674356310188 0.87544853025821 0.25283917417881 18.998 > 89 91 F 0.26325643689812 0.37544853025821 0.25283917417881 18.998 > 91 92 F 0.76325643689812 0.37544853025821 0.25283917417881 18.998 > 91 93 F 0.49161592338748 0.87251080149738 0.99541642016923 18.998 > 93 94 F 0.99161592338749 0.87251080149738 0.99541642016923 18.998 > 93 95 F 0.25838407661252 0.37251080149738 0.99541642016923 18.998 > 95 96 F 0.75838407661251 0.37251080149738 0.99541642016923 18.998 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7302889 0.0000000 0.0000000 0.0000000 4.5837155 0.0000000 0.0000000 0.0000000 4.9420726 -------------------------- Born effective charges -------------------------- 1 Bi 3.9891632 -0.1135980 -0.2204755 -0.1604193 4.2768611 0.1624329 -0.4064034 0.7480944 4.6222802 2 Bi 3.9891632 0.1135980 0.2204755 0.1604193 4.2768611 0.1624329 0.4064034 0.7480944 4.6222802 3 Bi 4.5590240 0.1036547 0.2542580 0.3228508 4.0725477 -0.1387402 0.3205355 -0.2883314 4.4439756 4 Bi 4.5590240 -0.1036547 -0.2542580 -0.3228508 4.0725477 -0.1387402 -0.3205355 -0.2883314 4.4439756 5 Bi 4.5590240 -0.1036547 0.2542580 -0.3228508 4.0725477 0.1387402 0.3205355 0.2883314 4.4439756 6 Bi 4.5590240 0.1036547 -0.2542580 0.3228508 4.0725477 0.1387402 -0.3205355 0.2883314 4.4439756 7 Bi 3.9891632 0.1135980 -0.2204755 0.1604193 4.2768611 -0.1624329 -0.4064034 -0.7480944 4.6222802 8 Bi 3.9891632 -0.1135980 0.2204755 -0.1604193 4.2768611 -0.1624329 0.4064034 -0.7480944 4.6222802 9 Bi 3.9891632 0.1135980 -0.2204755 0.1604193 4.2768611 -0.1624329 -0.4064034 -0.7480944 4.6222802 10 Bi 3.9891632 -0.1135980 0.2204755 -0.1604193 4.2768611 -0.1624329 0.4064034 -0.7480944 4.6222802 11 Bi 4.5590240 0.1036547 -0.2542580 0.3228508 4.0725477 0.1387402 -0.3205355 0.2883314 4.4439756 12 Bi 4.5590240 -0.1036547 0.2542580 -0.3228508 4.0725477 0.1387402 0.3205355 0.2883314 4.4439756 13 Bi 4.5590240 -0.1036547 -0.2542580 -0.3228508 4.0725477 -0.1387402 -0.3205355 -0.2883314 4.4439756 14 Bi 4.5590240 0.1036547 0.2542580 0.3228508 4.0725477 -0.1387402 0.3205355 -0.2883314 4.4439756 15 Bi 3.9891632 -0.1135980 -0.2204755 -0.1604193 4.2768611 0.1624329 -0.4064034 0.7480944 4.6222802 16 Bi 3.9891632 0.1135980 0.2204755 0.1604193 4.2768611 0.1624329 0.4064034 0.7480944 4.6222802 17 O -2.1339222 -0.5821596 0.1783728 -0.3462316 -2.5319044 -0.5071367 0.3041629 -0.7390696 -2.8311444 18 O -2.1339222 0.5821596 -0.1783728 0.3462316 -2.5319044 -0.5071367 -0.3041629 -0.7390696 -2.8311444 19 O -2.9704578 -0.0453279 0.5177202 0.1973354 -1.9758612 0.3041405 0.2030455 0.3886266 -2.9290245 20 O -2.9704578 0.0453279 -0.5177202 -0.1973354 -1.9758612 0.3041405 -0.2030455 0.3886266 -2.9290245 21 O -2.9704578 0.0453279 0.5177202 -0.1973354 -1.9758612 -0.3041405 0.2030455 -0.3886266 -2.9290245 22 O -2.9704578 -0.0453279 -0.5177202 0.1973354 -1.9758612 -0.3041405 -0.2030455 -0.3886266 -2.9290245 23 O -2.1339222 -0.5821596 -0.1783728 -0.3462316 -2.5319044 0.5071367 -0.3041629 0.7390696 -2.8311444 24 O -2.1339222 0.5821596 0.1783728 0.3462316 -2.5319044 0.5071367 0.3041629 0.7390696 -2.8311444 25 O -2.1339222 0.5821596 0.1783728 0.3462316 -2.5319044 0.5071367 0.3041629 0.7390696 -2.8311444 26 O -2.1339222 -0.5821596 -0.1783728 -0.3462316 -2.5319044 0.5071367 -0.3041629 0.7390696 -2.8311444 27 O -2.9704578 -0.0453279 -0.5177202 0.1973354 -1.9758612 -0.3041405 -0.2030455 -0.3886266 -2.9290245 28 O -2.9704578 0.0453279 0.5177202 -0.1973354 -1.9758612 -0.3041405 0.2030455 -0.3886266 -2.9290245 29 O -2.9704578 -0.0453279 0.5177202 0.1973354 -1.9758612 0.3041405 0.2030455 0.3886266 -2.9290245 30 O -2.9704578 0.0453279 -0.5177202 -0.1973354 -1.9758612 0.3041405 -0.2030455 0.3886266 -2.9290245 31 O -2.1339222 0.5821596 -0.1783728 0.3462316 -2.5319044 -0.5071367 -0.3041629 -0.7390696 -2.8311444 32 O -2.1339222 -0.5821596 0.1783728 -0.3462316 -2.5319044 -0.5071367 0.3041629 -0.7390696 -2.8311444 33 F -2.0409916 0.3422246 0.0018153 0.0408111 -1.6043297 0.3528928 0.1929564 0.1490366 -1.7297712 34 F -2.0409916 -0.3422246 -0.0018153 -0.0408111 -1.6043297 0.3528928 -0.1929564 0.1490366 -1.7297712 35 F -1.4028157 0.0536442 -0.0155735 0.1468007 -2.2373135 -0.5324326 0.0298443 -0.4275858 -1.5763157 36 F -1.4028157 -0.0536442 0.0155735 -0.1468007 -2.2373135 -0.5324326 -0.0298443 -0.4275858 -1.5763157 37 F -1.4028157 0.0536442 0.0155735 0.1468007 -2.2373135 0.5324326 -0.0298443 0.4275858 -1.5763157 38 F -1.4028157 -0.0536442 -0.0155735 -0.1468007 -2.2373135 0.5324326 0.0298443 0.4275858 -1.5763157 39 F -2.0409916 -0.3422246 0.0018153 -0.0408111 -1.6043297 -0.3528928 0.1929564 -0.1490366 -1.7297712 40 F -2.0409916 0.3422246 -0.0018153 0.0408111 -1.6043297 -0.3528928 -0.1929564 -0.1490366 -1.7297712 41 F -2.0409916 -0.3422246 0.0018153 -0.0408111 -1.6043297 -0.3528928 0.1929564 -0.1490366 -1.7297712 42 F -2.0409916 0.3422246 -0.0018153 0.0408111 -1.6043297 -0.3528928 -0.1929564 -0.1490366 -1.7297712 43 F -1.4028157 -0.0536442 -0.0155735 -0.1468007 -2.2373135 0.5324326 0.0298443 0.4275858 -1.5763157 44 F -1.4028157 0.0536442 0.0155735 0.1468007 -2.2373135 0.5324326 -0.0298443 0.4275858 -1.5763157 45 F -1.4028157 0.0536442 -0.0155735 0.1468007 -2.2373135 -0.5324326 0.0298443 -0.4275858 -1.5763157 46 F -1.4028157 -0.0536442 0.0155735 -0.1468007 -2.2373135 -0.5324326 -0.0298443 -0.4275858 -1.5763157 47 F -2.0409916 0.3422246 0.0018153 0.0408111 -1.6043297 0.3528928 0.1929564 0.1490366 -1.7297712 48 F -2.0409916 -0.3422246 -0.0018153 -0.0408111 -1.6043297 0.3528928 -0.1929564 0.1490366 -1.7297712 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 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: 0.46, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.178 ( 0.000 0.000 0.000) 0.000 1.314 ( 0.000 0.000 0.000) 0.000 1.341 ( 0.000 0.000 0.000) 0.000 1.388 ( 0.000 0.000 0.000) 0.000 1.567 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 1.692 ( 0.000 0.000 0.000) 0.000 1.694 ( 0.000 0.000 0.000) 0.000 1.782 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.458 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.688 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.380 ( 0.000 0.000 0.000) 0.000 4.412 ( 0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.674 ( 0.000 0.000 0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 4.716 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 4.996 ( 0.000 0.000 0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 5.064 ( 0.000 0.000 0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.308 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.738 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 6.104 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.439 ( 0.000 0.000 0.000) 0.000 6.481 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.674 ( 0.000 0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 6.823 ( 0.000 0.000 0.000) 0.000 7.104 ( 0.000 0.000 0.000) 0.000 7.471 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 7.578 ( 0.000 0.000 0.000) 0.000 7.810 ( 0.000 0.000 0.000) 0.000 7.853 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 7.888 ( 0.000 0.000 0.000) 0.000 7.938 ( 0.000 0.000 0.000) 0.000 8.026 ( 0.000 0.000 0.000) 0.000 8.121 ( 0.000 0.000 0.000) 0.000 8.240 ( 0.000 0.000 0.000) 0.000 8.335 ( 0.000 0.000 0.000) 0.000 8.350 ( 0.000 0.000 0.000) 0.000 8.426 ( 0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.917 ( 0.000 0.000 0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 0.000 0.000) 0.000 10.103 ( 0.000 0.000 0.000) 0.000 10.152 ( 0.000 0.000 0.000) 0.000 10.159 ( 0.000 0.000 0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 10.704 ( 0.000 0.000 0.000) 0.000 10.731 ( 0.000 0.000 0.000) 0.000 10.875 ( 0.000 0.000 0.000) 0.000 11.634 ( 0.000 0.000 0.000) 0.000 11.738 ( 0.000 0.000 0.000) 0.000 11.912 ( 0.000 0.000 0.000) 0.000 11.983 ( 0.000 0.000 0.000) 0.000 12.058 ( 0.000 0.000 0.000) 0.000 12.149 ( 0.000 0.000 0.000) 0.000 12.298 ( 0.000 0.000 0.000) 0.000 12.387 ( 0.000 0.000 0.000) 0.000 13.098 ( 0.000 0.000 0.000) 0.000 13.106 ( 0.000 0.000 0.000) 0.000 13.271 ( 0.000 0.000 0.000) 0.000 13.644 ( 0.000 0.000 0.000) 0.000 14.224 ( 0.000 0.000 0.000) 0.000 14.234 ( 0.000 0.000 0.000) 0.000 14.311 ( 0.000 0.000 0.000) 0.000 14.838 ( 0.000 0.000 0.000) 0.000 15.040 ( 0.000 0.000 0.000) 0.000 15.111 ( 0.000 0.000 0.000) 0.000 15.629 ( 0.000 0.000 0.000) 0.000 15.644 ( 0.000 0.000 0.000) 0.000 15.686 ( 0.000 0.000 0.000) 0.000 15.767 ( 0.000 0.000 0.000) 0.000 15.801 ( 0.000 0.000 0.000) 0.000 16.090 ( 0.000 0.000 0.000) 0.000 16.234 ( 0.000 0.000 0.000) 0.000 16.406 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 14.651 0.000 0.000) 14.651 0.345 ( 17.676 0.000 0.000) 17.676 0.634 ( 32.183 0.000 0.000) 32.183 1.311 ( 12.412 0.000 0.000) 12.412 1.398 ( 7.834 0.000 0.000) 7.834 1.408 ( 1.757 0.000 0.000) 1.757 1.439 ( 8.810 0.000 0.000) 8.810 1.546 ( -2.722 0.000 0.000) 2.722 1.648 ( 7.546 0.000 0.000) 7.546 1.725 ( 3.065 0.000 0.000) 3.065 1.746 ( 4.773 0.000 0.000) 4.773 1.760 ( -1.584 0.000 0.000) 1.584 1.779 ( 7.733 0.000 0.000) 7.733 1.843 ( 3.493 0.000 0.000) 3.493 1.920 ( 2.205 0.000 0.000) 2.205 1.951 ( -2.542 0.000 0.000) 2.542 2.073 ( 1.035 0.000 0.000) 1.035 2.204 ( -2.391 0.000 0.000) 2.391 2.207 ( -0.865 0.000 0.000) 0.865 2.209 ( -1.171 0.000 0.000) 1.171 2.296 ( -4.429 0.000 0.000) 4.429 2.325 ( -1.035 0.000 0.000) 1.035 2.472 ( -3.953 0.000 0.000) 3.953 2.526 ( 2.293 0.000 0.000) 2.293 2.551 ( 0.389 0.000 0.000) 0.389 2.582 ( -5.983 0.000 0.000) 5.983 2.599 ( -4.490 0.000 0.000) 4.490 2.723 ( 11.582 0.000 0.000) 11.582 2.805 ( -3.553 0.000 0.000) 3.553 2.900 ( 10.034 0.000 0.000) 10.034 2.934 ( -3.634 0.000 0.000) 3.634 3.090 ( 1.044 0.000 0.000) 1.044 3.144 ( -10.781 0.000 0.000) 10.781 3.305 ( 3.554 0.000 0.000) 3.554 3.407 ( -0.214 0.000 0.000) 0.214 3.411 ( -6.335 0.000 0.000) 6.335 3.431 ( 0.006 0.000 0.000) 0.006 3.562 ( -3.364 0.000 0.000) 3.364 3.615 ( 1.295 0.000 0.000) 1.295 3.618 ( -6.638 0.000 0.000) 6.638 3.665 ( 0.870 0.000 0.000) 0.870 3.773 ( -3.022 0.000 0.000) 3.022 3.829 ( 8.369 0.000 0.000) 8.369 3.975 ( 4.525 0.000 0.000) 4.525 4.003 ( 6.095 0.000 0.000) 6.095 4.140 ( -0.690 0.000 0.000) 0.690 4.178 ( 5.154 0.000 0.000) 5.154 4.193 ( -6.888 0.000 0.000) 6.888 4.246 ( 1.105 0.000 0.000) 1.105 4.263 ( 2.614 0.000 0.000) 2.614 4.335 ( 5.592 0.000 0.000) 5.592 4.372 ( 2.439 0.000 0.000) 2.439 4.434 ( -0.219 0.000 0.000) 0.219 4.462 ( 1.959 0.000 0.000) 1.959 4.573 ( 4.238 0.000 0.000) 4.238 4.655 ( -2.060 0.000 0.000) 2.060 4.663 ( -1.672 0.000 0.000) 1.672 4.699 ( -1.997 0.000 0.000) 1.997 4.711 ( 2.690 0.000 0.000) 2.690 4.717 ( 4.920 0.000 0.000) 4.920 4.780 ( 1.656 0.000 0.000) 1.656 4.885 ( 0.334 0.000 0.000) 0.334 4.887 ( -1.495 0.000 0.000) 1.495 4.934 ( -7.176 0.000 0.000) 7.176 4.966 ( 7.999 0.000 0.000) 7.999 5.095 ( 6.082 0.000 0.000) 6.082 5.106 ( 9.318 0.000 0.000) 9.318 5.120 ( 4.927 0.000 0.000) 4.927 5.227 ( 7.391 0.000 0.000) 7.391 5.268 ( 8.090 0.000 0.000) 8.090 5.313 ( 0.864 0.000 0.000) 0.864 5.471 ( 3.814 0.000 0.000) 3.814 5.509 ( 5.109 0.000 0.000) 5.109 5.544 ( 12.093 0.000 0.000) 12.093 5.652 ( 3.058 0.000 0.000) 3.058 5.670 ( -5.477 0.000 0.000) 5.477 5.722 ( -0.084 0.000 0.000) 0.084 5.798 ( 5.243 0.000 0.000) 5.243 5.909 ( 1.238 0.000 0.000) 1.238 5.935 ( 3.078 0.000 0.000) 3.078 6.059 ( -0.579 0.000 0.000) 0.579 6.140 ( -9.125 0.000 0.000) 9.125 6.194 ( -1.910 0.000 0.000) 1.910 6.393 ( 8.309 0.000 0.000) 8.309 6.420 ( -9.827 0.000 0.000) 9.827 6.472 ( -1.403 0.000 0.000) 1.403 6.489 ( 4.998 0.000 0.000) 4.998 6.787 ( 6.978 0.000 0.000) 6.978 6.808 ( -1.516 0.000 0.000) 1.516 6.891 ( 8.400 0.000 0.000) 8.400 7.112 ( 1.811 0.000 0.000) 1.811 7.494 ( 0.525 0.000 0.000) 0.525 7.502 ( -4.903 0.000 0.000) 4.903 7.595 ( 10.101 0.000 0.000) 10.101 7.606 ( 1.224 0.000 0.000) 1.224 7.630 ( -9.187 0.000 0.000) 9.187 7.890 ( -4.319 0.000 0.000) 4.319 7.917 ( 6.275 0.000 0.000) 6.275 7.954 ( 3.438 0.000 0.000) 3.438 8.167 ( 9.172 0.000 0.000) 9.172 8.177 ( -5.421 0.000 0.000) 5.421 8.192 ( 6.275 0.000 0.000) 6.275 8.248 ( 1.721 0.000 0.000) 1.721 8.343 ( 1.321 0.000 0.000) 1.321 8.423 ( 7.580 0.000 0.000) 7.580 8.448 ( 2.027 0.000 0.000) 2.027 8.569 ( 2.925 0.000 0.000) 2.925 8.878 ( -2.023 0.000 0.000) 2.023 9.097 ( 7.124 0.000 0.000) 7.124 9.465 ( -3.737 0.000 0.000) 3.737 10.092 ( -2.595 0.000 0.000) 2.595 10.194 ( 4.019 0.000 0.000) 4.019 10.199 ( 9.247 0.000 0.000) 9.247 10.226 ( 6.623 0.000 0.000) 6.623 10.319 ( 12.079 0.000 0.000) 12.079 10.528 ( -15.182 0.000 0.000) 15.182 10.760 ( 3.762 0.000 0.000) 3.762 10.931 ( 5.504 0.000 0.000) 5.504 11.883 ( -2.947 0.000 0.000) 2.947 11.934 ( 15.483 0.000 0.000) 15.483 11.981 ( -0.340 0.000 0.000) 0.340 12.055 ( -0.369 0.000 0.000) 0.369 12.170 ( 2.015 0.000 0.000) 2.015 12.255 ( -4.239 0.000 0.000) 4.239 12.363 ( -2.461 0.000 0.000) 2.461 13.054 ( -4.338 0.000 0.000) 4.338 13.067 ( -3.912 0.000 0.000) 3.912 13.217 ( -5.805 0.000 0.000) 5.805 13.558 ( -7.027 0.000 0.000) 7.027 13.833 ( 0.812 0.000 0.000) 0.812 14.280 ( -2.928 0.000 0.000) 2.928 14.325 ( 7.693 0.000 0.000) 7.693 14.342 ( 4.685 0.000 0.000) 4.685 14.738 ( -9.452 0.000 0.000) 9.452 15.093 ( 5.130 0.000 0.000) 5.130 15.169 ( 4.927 0.000 0.000) 4.927 15.601 ( -3.980 0.000 0.000) 3.980 15.630 ( 0.162 0.000 0.000) 0.162 15.638 ( -4.673 0.000 0.000) 4.673 15.725 ( -4.550 0.000 0.000) 4.550 16.101 ( 0.897 0.000 0.000) 0.897 16.191 ( -3.813 0.000 0.000) 3.813 16.336 ( -6.695 0.000 0.000) 6.695 16.402 ( -6.279 0.000 0.000) 6.279 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 17.958 0.000 0.000) 17.958 0.685 ( 17.133 0.000 0.000) 17.133 1.211 ( 25.089 0.000 0.000) 25.089 1.450 ( 2.512 0.000 0.000) 2.512 1.529 ( 1.343 0.000 0.000) 1.343 1.560 ( 8.176 0.000 0.000) 8.176 1.597 ( 14.313 0.000 0.000) 14.313 1.635 ( 10.178 0.000 0.000) 10.178 1.729 ( -1.497 0.000 0.000) 1.497 1.781 ( 4.293 0.000 0.000) 4.293 1.783 ( 2.091 0.000 0.000) 2.091 1.847 ( 4.595 0.000 0.000) 4.595 1.921 ( 0.410 0.000 0.000) 0.410 1.939 ( 8.316 0.000 0.000) 8.316 1.977 ( 9.659 0.000 0.000) 9.659 1.992 ( 4.929 0.000 0.000) 4.929 2.098 ( 1.559 0.000 0.000) 1.559 2.166 ( -0.715 0.000 0.000) 0.715 2.170 ( -0.689 0.000 0.000) 0.689 2.173 ( -2.766 0.000 0.000) 2.766 2.294 ( 1.570 0.000 0.000) 1.570 2.303 ( -0.115 0.000 0.000) 0.115 2.320 ( -8.669 0.000 0.000) 8.669 2.448 ( -8.275 0.000 0.000) 8.275 2.503 ( -3.587 0.000 0.000) 3.587 2.550 ( -0.493 0.000 0.000) 0.493 2.575 ( 2.503 0.000 0.000) 2.503 2.839 ( -6.006 0.000 0.000) 6.006 2.855 ( 6.383 0.000 0.000) 6.383 2.932 ( -9.925 0.000 0.000) 9.925 2.938 ( 10.006 0.000 0.000) 10.006 3.087 ( 7.662 0.000 0.000) 7.662 3.115 ( 3.093 0.000 0.000) 3.093 3.266 ( -8.136 0.000 0.000) 8.136 3.363 ( -4.804 0.000 0.000) 4.804 3.385 ( 3.846 0.000 0.000) 3.846 3.401 ( -2.299 0.000 0.000) 2.299 3.477 ( -4.360 0.000 0.000) 4.360 3.484 ( -5.713 0.000 0.000) 5.713 3.611 ( 0.231 0.000 0.000) 0.231 3.692 ( -5.603 0.000 0.000) 5.603 3.735 ( 4.330 0.000 0.000) 4.330 3.972 ( 5.031 0.000 0.000) 5.031 4.018 ( -10.903 0.000 0.000) 10.903 4.087 ( 3.573 0.000 0.000) 3.573 4.093 ( 7.440 0.000 0.000) 7.440 4.140 ( 0.111 0.000 0.000) 0.111 4.263 ( 0.044 0.000 0.000) 0.044 4.283 ( 0.978 0.000 0.000) 0.978 4.287 ( 5.391 0.000 0.000) 5.391 4.426 ( -0.769 0.000 0.000) 0.769 4.428 ( 2.643 0.000 0.000) 2.643 4.453 ( -2.539 0.000 0.000) 2.539 4.487 ( 0.931 0.000 0.000) 0.931 4.605 ( -2.658 0.000 0.000) 2.658 4.627 ( 6.755 0.000 0.000) 6.755 4.652 ( -2.435 0.000 0.000) 2.435 4.708 ( 5.068 0.000 0.000) 5.068 4.773 ( 2.073 0.000 0.000) 2.073 4.831 ( 3.691 0.000 0.000) 3.691 4.846 ( -2.847 0.000 0.000) 2.847 4.849 ( 6.064 0.000 0.000) 6.064 4.904 ( 9.709 0.000 0.000) 9.709 4.908 ( 1.908 0.000 0.000) 1.908 5.133 ( 7.892 0.000 0.000) 7.892 5.200 ( 2.248 0.000 0.000) 2.248 5.219 ( 5.154 0.000 0.000) 5.154 5.242 ( 2.396 0.000 0.000) 2.396 5.384 ( -1.123 0.000 0.000) 1.123 5.399 ( 8.606 0.000 0.000) 8.606 5.466 ( 9.003 0.000 0.000) 9.003 5.504 ( 6.600 0.000 0.000) 6.600 5.635 ( 7.373 0.000 0.000) 7.373 5.650 ( 5.430 0.000 0.000) 5.430 5.656 ( -0.835 0.000 0.000) 0.835 5.736 ( 5.128 0.000 0.000) 5.128 5.790 ( 8.557 0.000 0.000) 8.557 5.868 ( -5.539 0.000 0.000) 5.539 5.912 ( 5.703 0.000 0.000) 5.703 5.958 ( 1.500 0.000 0.000) 1.500 6.114 ( 3.846 0.000 0.000) 3.846 6.119 ( 7.712 0.000 0.000) 7.712 6.146 ( -2.631 0.000 0.000) 2.631 6.295 ( -4.218 0.000 0.000) 4.218 6.480 ( 3.819 0.000 0.000) 3.819 6.493 ( 5.211 0.000 0.000) 5.211 6.636 ( 7.794 0.000 0.000) 7.794 6.769 ( -2.370 0.000 0.000) 2.370 6.933 ( 7.650 0.000 0.000) 7.650 6.938 ( -3.994 0.000 0.000) 3.994 7.199 ( 6.429 0.000 0.000) 6.429 7.332 ( -13.247 0.000 0.000) 13.247 7.395 ( -5.808 0.000 0.000) 5.808 7.623 ( 4.537 0.000 0.000) 4.537 7.629 ( 0.642 0.000 0.000) 0.642 7.760 ( -2.758 0.000 0.000) 2.758 7.882 ( 12.861 0.000 0.000) 12.861 7.992 ( 0.615 0.000 0.000) 0.615 8.065 ( -5.683 0.000 0.000) 5.683 8.088 ( 7.464 0.000 0.000) 7.464 8.272 ( 0.090 0.000 0.000) 0.090 8.274 ( 1.065 0.000 0.000) 1.065 8.359 ( 11.288 0.000 0.000) 11.288 8.428 ( 9.012 0.000 0.000) 9.012 8.505 ( 3.757 0.000 0.000) 3.757 8.609 ( 10.199 0.000 0.000) 10.199 8.649 ( 5.128 0.000 0.000) 5.128 8.849 ( -1.287 0.000 0.000) 1.287 9.276 ( 11.742 0.000 0.000) 11.742 9.383 ( -4.123 0.000 0.000) 4.123 10.031 ( -4.043 0.000 0.000) 4.043 10.167 ( -7.694 0.000 0.000) 7.694 10.403 ( 11.236 0.000 0.000) 11.236 10.427 ( 13.222 0.000 0.000) 13.222 10.450 ( 9.921 0.000 0.000) 9.921 10.599 ( 15.600 0.000 0.000) 15.600 10.871 ( 7.513 0.000 0.000) 7.513 11.074 ( 8.799 0.000 0.000) 8.799 11.797 ( -5.984 0.000 0.000) 5.984 11.960 ( -2.326 0.000 0.000) 2.326 12.037 ( -1.606 0.000 0.000) 1.606 12.153 ( -5.486 0.000 0.000) 5.486 12.158 ( 2.509 0.000 0.000) 2.509 12.260 ( 10.121 0.000 0.000) 10.121 12.293 ( -4.704 0.000 0.000) 4.704 12.940 ( -7.009 0.000 0.000) 7.009 12.962 ( -6.561 0.000 0.000) 6.561 13.044 ( -11.436 0.000 0.000) 11.436 13.442 ( -3.455 0.000 0.000) 3.455 13.869 ( 2.724 0.000 0.000) 2.724 14.210 ( -4.082 0.000 0.000) 4.082 14.479 ( 7.486 0.000 0.000) 7.486 14.480 ( 9.365 0.000 0.000) 9.365 14.495 ( -14.987 0.000 0.000) 14.987 15.217 ( 7.055 0.000 0.000) 7.055 15.270 ( 4.967 0.000 0.000) 4.967 15.512 ( -4.516 0.000 0.000) 4.516 15.518 ( -7.202 0.000 0.000) 7.202 15.575 ( -11.004 0.000 0.000) 11.004 15.638 ( 0.709 0.000 0.000) 0.709 16.110 ( -0.364 0.000 0.000) 0.364 16.118 ( -3.009 0.000 0.000) 3.009 16.181 ( -8.101 0.000 0.000) 8.101 16.243 ( -9.370 0.000 0.000) 9.370 ======================= Grid point 3 (4/45) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 18.339 0.000 0.000) 18.339 1.006 ( 15.712 0.000 0.000) 15.712 1.507 ( 3.342 0.000 0.000) 3.342 1.528 ( 6.707 0.000 0.000) 6.707 1.578 ( 3.735 0.000 0.000) 3.735 1.652 ( 1.553 0.000 0.000) 1.553 1.673 ( -5.054 0.000 0.000) 5.054 1.792 ( 4.808 0.000 0.000) 4.808 1.795 ( -0.704 0.000 0.000) 0.704 1.829 ( 8.170 0.000 0.000) 8.170 1.847 ( 3.342 0.000 0.000) 3.342 1.903 ( 1.298 0.000 0.000) 1.298 1.990 ( 6.127 0.000 0.000) 6.127 2.061 ( -3.033 0.000 0.000) 3.033 2.065 ( 1.482 0.000 0.000) 1.482 2.087 ( 3.176 0.000 0.000) 3.176 2.134 ( 1.998 0.000 0.000) 1.998 2.136 ( 0.076 0.000 0.000) 0.076 2.192 ( 4.477 0.000 0.000) 4.477 2.213 ( 3.341 0.000 0.000) 3.341 2.251 ( 1.627 0.000 0.000) 1.627 2.255 ( 0.206 0.000 0.000) 0.206 2.272 ( -8.899 0.000 0.000) 8.899 2.438 ( 10.784 0.000 0.000) 10.784 2.522 ( 7.238 0.000 0.000) 7.238 2.547 ( 0.780 0.000 0.000) 0.780 2.648 ( 4.064 0.000 0.000) 4.064 2.717 ( -4.286 0.000 0.000) 4.286 2.755 ( -7.866 0.000 0.000) 7.866 2.983 ( 6.155 0.000 0.000) 6.155 3.072 ( -1.147 0.000 0.000) 1.147 3.132 ( -0.946 0.000 0.000) 0.946 3.190 ( 2.493 0.000 0.000) 2.493 3.213 ( 5.868 0.000 0.000) 5.868 3.221 ( -9.537 0.000 0.000) 9.537 3.356 ( -2.044 0.000 0.000) 2.044 3.408 ( -2.547 0.000 0.000) 2.547 3.417 ( -1.516 0.000 0.000) 1.516 3.459 ( 4.234 0.000 0.000) 4.234 3.572 ( -6.052 0.000 0.000) 6.052 3.636 ( 1.337 0.000 0.000) 1.337 3.773 ( -13.870 0.000 0.000) 13.870 3.811 ( 4.013 0.000 0.000) 4.013 4.017 ( 0.001 0.000 0.000) 0.001 4.132 ( -0.422 0.000 0.000) 0.422 4.185 ( 6.388 0.000 0.000) 6.388 4.233 ( 6.005 0.000 0.000) 6.005 4.245 ( -1.963 0.000 0.000) 1.963 4.334 ( 4.091 0.000 0.000) 4.091 4.370 ( 2.841 0.000 0.000) 2.841 4.388 ( -3.458 0.000 0.000) 3.458 4.405 ( -1.214 0.000 0.000) 1.214 4.415 ( -3.807 0.000 0.000) 3.807 4.435 ( -1.762 0.000 0.000) 1.762 4.564 ( -1.321 0.000 0.000) 1.321 4.603 ( -2.951 0.000 0.000) 2.951 4.683 ( -3.138 0.000 0.000) 3.138 4.771 ( -4.998 0.000 0.000) 4.998 4.828 ( 6.123 0.000 0.000) 6.123 4.859 ( -1.404 0.000 0.000) 1.404 4.896 ( 8.318 0.000 0.000) 8.318 4.977 ( 9.559 0.000 0.000) 9.559 5.018 ( 9.479 0.000 0.000) 9.479 5.201 ( -0.048 0.000 0.000) 0.048 5.207 ( -7.953 0.000 0.000) 7.953 5.215 ( 16.432 0.000 0.000) 16.432 5.244 ( 3.755 0.000 0.000) 3.755 5.270 ( 2.381 0.000 0.000) 2.381 5.295 ( -0.471 0.000 0.000) 0.471 5.523 ( 1.764 0.000 0.000) 1.764 5.542 ( 2.501 0.000 0.000) 2.501 5.646 ( 1.849 0.000 0.000) 1.849 5.687 ( 5.665 0.000 0.000) 5.665 5.776 ( 6.630 0.000 0.000) 6.630 5.778 ( -1.806 0.000 0.000) 1.806 5.788 ( 6.615 0.000 0.000) 6.615 5.911 ( 4.323 0.000 0.000) 4.323 5.912 ( 3.152 0.000 0.000) 3.152 5.986 ( 1.377 0.000 0.000) 1.377 6.027 ( 4.486 0.000 0.000) 4.486 6.132 ( 2.222 0.000 0.000) 2.222 6.196 ( -5.926 0.000 0.000) 5.926 6.197 ( 9.403 0.000 0.000) 9.403 6.329 ( 11.599 0.000 0.000) 11.599 6.627 ( 9.902 0.000 0.000) 9.902 6.650 ( 6.061 0.000 0.000) 6.061 6.721 ( -2.408 0.000 0.000) 2.408 6.762 ( 6.555 0.000 0.000) 6.555 6.782 ( -7.897 0.000 0.000) 7.897 7.056 ( 3.736 0.000 0.000) 3.736 7.078 ( -11.634 0.000 0.000) 11.634 7.284 ( -5.665 0.000 0.000) 5.665 7.315 ( 4.815 0.000 0.000) 4.815 7.603 ( -3.732 0.000 0.000) 3.732 7.678 ( -3.006 0.000 0.000) 3.006 7.717 ( 4.272 0.000 0.000) 4.272 7.964 ( -4.505 0.000 0.000) 4.505 7.989 ( -0.191 0.000 0.000) 0.191 8.092 ( -6.975 0.000 0.000) 6.975 8.191 ( 15.031 0.000 0.000) 15.031 8.242 ( -1.824 0.000 0.000) 1.824 8.295 ( 4.561 0.000 0.000) 4.561 8.566 ( 1.544 0.000 0.000) 1.544 8.586 ( 9.605 0.000 0.000) 9.605 8.657 ( 11.031 0.000 0.000) 11.031 8.754 ( 5.136 0.000 0.000) 5.136 8.787 ( 7.412 0.000 0.000) 7.412 8.824 ( -1.165 0.000 0.000) 1.165 9.340 ( 1.218 0.000 0.000) 1.218 9.556 ( 16.378 0.000 0.000) 16.378 9.922 ( -7.413 0.000 0.000) 7.413 10.079 ( -1.398 0.000 0.000) 1.398 10.650 ( 13.660 0.000 0.000) 13.660 10.676 ( 11.608 0.000 0.000) 11.608 10.696 ( 12.531 0.000 0.000) 12.531 10.886 ( 13.075 0.000 0.000) 13.075 11.038 ( 9.040 0.000 0.000) 9.040 11.265 ( 10.771 0.000 0.000) 10.771 11.650 ( -9.035 0.000 0.000) 9.035 11.868 ( -7.203 0.000 0.000) 7.203 11.993 ( -2.545 0.000 0.000) 2.545 12.068 ( -3.158 0.000 0.000) 3.158 12.118 ( -4.754 0.000 0.000) 4.754 12.184 ( -6.336 0.000 0.000) 6.336 12.452 ( 8.578 0.000 0.000) 8.578 12.799 ( -7.022 0.000 0.000) 7.022 12.817 ( -10.465 0.000 0.000) 10.465 12.827 ( -6.894 0.000 0.000) 6.894 13.454 ( 4.665 0.000 0.000) 4.665 13.929 ( 3.234 0.000 0.000) 3.234 14.129 ( -4.063 0.000 0.000) 4.063 14.180 ( -16.731 0.000 0.000) 16.731 14.614 ( 6.866 0.000 0.000) 6.866 14.692 ( 11.907 0.000 0.000) 11.907 15.303 ( -3.743 0.000 0.000) 3.743 15.308 ( -14.280 0.000 0.000) 14.280 15.354 ( 2.041 0.000 0.000) 2.041 15.418 ( 2.281 0.000 0.000) 2.281 15.442 ( -2.557 0.000 0.000) 2.557 15.657 ( 1.032 0.000 0.000) 1.032 16.057 ( -4.161 0.000 0.000) 4.161 16.065 ( -8.156 0.000 0.000) 8.156 16.075 ( -1.739 0.000 0.000) 1.739 16.080 ( -2.790 0.000 0.000) 2.790 ======================= Grid point 4 (5/45) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 15.263 0.000 0.000) 15.263 1.285 ( 12.765 0.000 0.000) 12.765 1.488 ( -7.514 0.000 0.000) 7.514 1.514 ( -9.796 0.000 0.000) 9.796 1.584 ( 3.122 0.000 0.000) 3.122 1.643 ( -2.068 0.000 0.000) 2.068 1.687 ( 5.227 0.000 0.000) 5.227 1.763 ( -2.637 0.000 0.000) 2.637 1.862 ( 3.034 0.000 0.000) 3.034 1.905 ( -1.105 0.000 0.000) 1.105 1.906 ( 1.826 0.000 0.000) 1.826 1.912 ( 1.195 0.000 0.000) 1.195 2.031 ( 1.420 0.000 0.000) 1.420 2.062 ( -0.560 0.000 0.000) 0.560 2.074 ( -1.615 0.000 0.000) 1.615 2.086 ( 1.272 0.000 0.000) 1.272 2.113 ( -3.598 0.000 0.000) 3.598 2.124 ( -0.859 0.000 0.000) 0.859 2.203 ( 2.943 0.000 0.000) 2.943 2.219 ( 0.667 0.000 0.000) 0.667 2.239 ( -0.499 0.000 0.000) 0.499 2.259 ( -1.761 0.000 0.000) 1.761 2.376 ( 8.122 0.000 0.000) 8.122 2.533 ( -7.698 0.000 0.000) 7.698 2.583 ( 2.414 0.000 0.000) 2.414 2.639 ( -3.994 0.000 0.000) 3.994 2.682 ( 13.048 0.000 0.000) 13.048 2.758 ( 9.452 0.000 0.000) 9.452 2.855 ( 8.289 0.000 0.000) 8.289 2.946 ( -7.435 0.000 0.000) 7.435 3.033 ( -4.823 0.000 0.000) 4.823 3.094 ( 5.322 0.000 0.000) 5.322 3.147 ( -3.628 0.000 0.000) 3.628 3.180 ( -3.077 0.000 0.000) 3.077 3.299 ( 2.725 0.000 0.000) 2.725 3.330 ( -0.894 0.000 0.000) 0.894 3.381 ( -0.147 0.000 0.000) 0.147 3.399 ( -1.012 0.000 0.000) 1.012 3.481 ( -2.617 0.000 0.000) 2.617 3.524 ( -9.154 0.000 0.000) 9.154 3.556 ( 5.164 0.000 0.000) 5.164 3.631 ( -2.153 0.000 0.000) 2.153 3.900 ( 4.851 0.000 0.000) 4.851 3.983 ( -3.309 0.000 0.000) 3.309 4.140 ( 1.473 0.000 0.000) 1.473 4.189 ( -3.266 0.000 0.000) 3.266 4.305 ( 4.645 0.000 0.000) 4.645 4.315 ( 2.523 0.000 0.000) 2.523 4.347 ( -0.273 0.000 0.000) 0.273 4.364 ( -1.178 0.000 0.000) 1.178 4.378 ( -1.676 0.000 0.000) 1.676 4.378 ( -3.049 0.000 0.000) 3.049 4.423 ( 3.522 0.000 0.000) 3.522 4.437 ( 6.277 0.000 0.000) 6.277 4.523 ( -5.434 0.000 0.000) 5.434 4.539 ( -2.604 0.000 0.000) 2.604 4.640 ( -1.042 0.000 0.000) 1.042 4.665 ( -4.518 0.000 0.000) 4.518 4.834 ( -0.092 0.000 0.000) 0.092 4.854 ( -1.200 0.000 0.000) 1.200 5.038 ( 4.544 0.000 0.000) 4.544 5.089 ( -3.282 0.000 0.000) 3.282 5.139 ( 3.931 0.000 0.000) 3.931 5.152 ( 2.322 0.000 0.000) 2.322 5.188 ( 1.694 0.000 0.000) 1.694 5.258 ( -3.576 0.000 0.000) 3.576 5.340 ( 7.300 0.000 0.000) 7.300 5.410 ( 10.837 0.000 0.000) 10.837 5.482 ( -3.265 0.000 0.000) 3.265 5.511 ( 11.587 0.000 0.000) 11.587 5.604 ( 0.190 0.000 0.000) 0.190 5.676 ( -5.705 0.000 0.000) 5.705 5.751 ( 8.379 0.000 0.000) 8.379 5.759 ( -5.357 0.000 0.000) 5.357 5.768 ( -1.298 0.000 0.000) 1.298 5.862 ( 0.044 0.000 0.000) 0.044 5.960 ( 0.930 0.000 0.000) 0.930 5.968 ( 5.821 0.000 0.000) 5.821 5.977 ( -1.793 0.000 0.000) 1.793 6.080 ( -5.809 0.000 0.000) 5.809 6.117 ( 4.266 0.000 0.000) 4.266 6.170 ( -0.424 0.000 0.000) 0.424 6.368 ( 5.349 0.000 0.000) 5.349 6.503 ( -10.241 0.000 0.000) 10.241 6.528 ( 8.687 0.000 0.000) 8.687 6.663 ( -4.772 0.000 0.000) 4.772 6.805 ( 7.529 0.000 0.000) 7.529 6.847 ( 3.827 0.000 0.000) 3.827 6.954 ( 12.228 0.000 0.000) 12.228 6.954 ( 0.657 0.000 0.000) 0.657 7.041 ( -4.846 0.000 0.000) 4.846 7.158 ( -7.978 0.000 0.000) 7.978 7.388 ( 3.437 0.000 0.000) 3.437 7.489 ( -6.943 0.000 0.000) 6.943 7.682 ( 3.116 0.000 0.000) 3.116 7.746 ( -1.864 0.000 0.000) 1.864 7.907 ( -0.828 0.000 0.000) 0.828 7.949 ( -5.436 0.000 0.000) 5.436 8.026 ( 4.528 0.000 0.000) 4.528 8.139 ( -6.083 0.000 0.000) 6.083 8.424 ( 7.467 0.000 0.000) 7.467 8.495 ( 13.008 0.000 0.000) 13.008 8.544 ( -3.998 0.000 0.000) 3.998 8.660 ( -2.719 0.000 0.000) 2.719 8.789 ( 2.833 0.000 0.000) 2.833 8.809 ( -0.367 0.000 0.000) 0.367 8.832 ( 2.658 0.000 0.000) 2.658 8.857 ( 0.151 0.000 0.000) 0.151 9.481 ( 12.370 0.000 0.000) 12.370 9.734 ( -12.005 0.000 0.000) 12.005 9.861 ( 13.506 0.000 0.000) 13.506 10.040 ( -4.672 0.000 0.000) 4.672 10.852 ( 5.760 0.000 0.000) 5.760 10.870 ( 4.340 0.000 0.000) 4.340 10.906 ( 11.599 0.000 0.000) 11.599 11.038 ( -0.002 0.000 0.000) 0.002 11.223 ( 11.089 0.000 0.000) 11.089 11.450 ( -11.414 0.000 0.000) 11.414 11.483 ( 11.340 0.000 0.000) 11.340 11.695 ( -10.213 0.000 0.000) 10.213 11.973 ( 1.529 0.000 0.000) 1.529 12.019 ( -1.688 0.000 0.000) 1.688 12.028 ( -3.082 0.000 0.000) 3.082 12.057 ( -6.255 0.000 0.000) 6.255 12.596 ( 6.288 0.000 0.000) 6.288 12.680 ( -3.181 0.000 0.000) 3.181 12.689 ( -3.662 0.000 0.000) 3.662 12.706 ( -5.571 0.000 0.000) 5.571 13.610 ( 11.041 0.000 0.000) 11.041 13.867 ( -15.032 0.000 0.000) 15.032 13.991 ( 3.177 0.000 0.000) 3.177 14.055 ( -3.524 0.000 0.000) 3.524 14.772 ( 10.005 0.000 0.000) 10.005 14.924 ( 11.631 0.000 0.000) 11.631 15.012 ( -14.489 0.000 0.000) 14.489 15.138 ( -10.278 0.000 0.000) 10.278 15.392 ( 1.229 0.000 0.000) 1.229 15.410 ( -0.961 0.000 0.000) 0.961 15.538 ( 6.966 0.000 0.000) 6.966 15.646 ( -3.185 0.000 0.000) 3.185 15.967 ( -0.963 0.000 0.000) 0.963 16.009 ( -3.902 0.000 0.000) 3.902 16.021 ( 0.101 0.000 0.000) 0.101 16.042 ( -1.636 0.000 0.000) 1.636 ======================= Grid point 9 (6/45) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 0.000 16.441 0.000) 16.441 0.419 ( 0.000 19.153 0.000) 19.153 0.670 ( 0.000 29.034 0.000) 29.034 1.030 ( 0.000 -10.988 0.000) 10.988 1.197 ( 0.000 -14.571 0.000) 14.571 1.328 ( 0.000 1.009 0.000) 1.009 1.362 ( 0.000 0.075 0.000) 0.075 1.549 ( 0.000 -6.044 0.000) 6.044 1.595 ( 0.000 2.610 0.000) 2.610 1.710 ( 0.000 1.329 0.000) 1.329 1.740 ( 0.000 -3.153 0.000) 3.153 1.748 ( 0.000 2.024 0.000) 2.024 1.749 ( 0.000 5.522 0.000) 5.522 1.809 ( 0.000 0.571 0.000) 0.571 1.887 ( 0.000 -1.382 0.000) 1.382 2.029 ( 0.000 2.213 0.000) 2.213 2.035 ( 0.000 -2.869 0.000) 2.869 2.256 ( 0.000 2.608 0.000) 2.608 2.261 ( 0.000 4.029 0.000) 4.029 2.290 ( 0.000 -13.162 0.000) 13.162 2.355 ( 0.000 3.076 0.000) 3.076 2.379 ( 0.000 12.105 0.000) 12.105 2.434 ( 0.000 0.603 0.000) 0.603 2.467 ( 0.000 -1.676 0.000) 1.676 2.516 ( 0.000 -0.898 0.000) 0.898 2.524 ( 0.000 -1.683 0.000) 1.683 2.582 ( 0.000 3.221 0.000) 3.221 2.653 ( 0.000 -5.760 0.000) 5.760 2.820 ( 0.000 1.597 0.000) 1.597 2.854 ( 0.000 -5.850 0.000) 5.850 3.014 ( 0.000 2.662 0.000) 2.662 3.062 ( 0.000 2.667 0.000) 2.667 3.220 ( 0.000 -4.203 0.000) 4.203 3.245 ( 0.000 -10.819 0.000) 10.819 3.271 ( 0.000 -1.111 0.000) 1.111 3.365 ( 0.000 -2.938 0.000) 2.938 3.562 ( 0.000 5.565 0.000) 5.565 3.582 ( 0.000 -0.810 0.000) 0.810 3.588 ( 0.000 -0.352 0.000) 0.352 3.673 ( 0.000 0.349 0.000) 0.349 3.817 ( 0.000 1.429 0.000) 1.429 3.829 ( 0.000 5.585 0.000) 5.585 3.900 ( 0.000 -1.604 0.000) 1.604 3.922 ( 0.000 5.734 0.000) 5.734 3.926 ( 0.000 -0.205 0.000) 0.205 4.125 ( 0.000 -1.439 0.000) 1.439 4.186 ( 0.000 2.931 0.000) 2.931 4.209 ( 0.000 -0.412 0.000) 0.412 4.269 ( 0.000 -2.071 0.000) 2.071 4.299 ( 0.000 -0.271 0.000) 0.271 4.351 ( 0.000 10.512 0.000) 10.512 4.376 ( 0.000 0.490 0.000) 0.490 4.469 ( 0.000 3.691 0.000) 3.691 4.486 ( 0.000 3.374 0.000) 3.374 4.544 ( 0.000 -0.037 0.000) 0.037 4.565 ( 0.000 1.151 0.000) 1.151 4.614 ( 0.000 -2.195 0.000) 2.195 4.630 ( 0.000 -2.396 0.000) 2.396 4.658 ( 0.000 1.055 0.000) 1.055 4.708 ( 0.000 -0.690 0.000) 0.690 4.779 ( 0.000 0.724 0.000) 0.724 4.802 ( 0.000 -4.243 0.000) 4.243 4.828 ( 0.000 3.701 0.000) 3.701 4.899 ( 0.000 -0.814 0.000) 0.814 5.007 ( 0.000 -0.968 0.000) 0.968 5.044 ( 0.000 -2.666 0.000) 2.666 5.134 ( 0.000 7.005 0.000) 7.005 5.218 ( 0.000 2.325 0.000) 2.325 5.229 ( 0.000 4.092 0.000) 4.092 5.289 ( 0.000 0.900 0.000) 0.900 5.338 ( 0.000 -2.013 0.000) 2.013 5.493 ( 0.000 6.156 0.000) 6.156 5.508 ( 0.000 7.056 0.000) 7.056 5.609 ( 0.000 -5.260 0.000) 5.260 5.628 ( 0.000 1.647 0.000) 1.647 5.651 ( 0.000 -8.483 0.000) 8.483 5.828 ( 0.000 8.678 0.000) 8.678 5.867 ( 0.000 -2.936 0.000) 2.936 5.911 ( 0.000 0.021 0.000) 0.021 5.964 ( 0.000 -4.133 0.000) 4.133 6.111 ( 0.000 -5.018 0.000) 5.018 6.221 ( 0.000 -1.363 0.000) 1.363 6.393 ( 0.000 11.987 0.000) 11.987 6.402 ( 0.000 9.133 0.000) 9.133 6.482 ( 0.000 1.281 0.000) 1.281 6.503 ( 0.000 6.364 0.000) 6.364 6.629 ( 0.000 -0.999 0.000) 0.999 6.657 ( 0.000 -1.927 0.000) 1.927 6.685 ( 0.000 -5.233 0.000) 5.233 6.742 ( 0.000 -6.082 0.000) 6.082 6.818 ( 0.000 -5.063 0.000) 5.063 7.098 ( 0.000 -3.993 0.000) 3.993 7.297 ( 0.000 -7.848 0.000) 7.848 7.517 ( 0.000 -7.659 0.000) 7.659 7.717 ( 0.000 -8.990 0.000) 8.990 7.737 ( 0.000 4.777 0.000) 4.777 7.795 ( 0.000 0.441 0.000) 0.441 7.819 ( 0.000 -7.684 0.000) 7.684 7.840 ( 0.000 3.699 0.000) 3.699 7.981 ( 0.000 -6.075 0.000) 6.075 8.125 ( 0.000 6.709 0.000) 6.709 8.190 ( 0.000 -4.777 0.000) 4.777 8.200 ( 0.000 5.856 0.000) 5.856 8.297 ( 0.000 -0.910 0.000) 0.910 8.465 ( 0.000 -4.818 0.000) 4.818 8.473 ( 0.000 -5.667 0.000) 5.667 8.727 ( 0.000 15.082 0.000) 15.082 8.920 ( 0.000 0.672 0.000) 0.672 9.035 ( 0.000 2.755 0.000) 2.755 9.413 ( 0.000 -8.105 0.000) 8.105 10.107 ( 0.000 0.315 0.000) 0.315 10.134 ( 0.000 -1.407 0.000) 1.407 10.143 ( 0.000 -1.668 0.000) 1.668 10.144 ( 0.000 -1.188 0.000) 1.188 10.689 ( 0.000 3.157 0.000) 3.157 10.868 ( 0.000 6.480 0.000) 6.480 10.875 ( 0.000 0.106 0.000) 0.106 10.979 ( 0.000 -2.128 0.000) 2.128 11.630 ( 0.000 -0.004 0.000) 0.004 11.708 ( 0.000 -2.432 0.000) 2.432 11.920 ( 0.000 0.932 0.000) 0.932 11.976 ( 0.000 -0.724 0.000) 0.724 12.080 ( 0.000 1.853 0.000) 1.853 12.147 ( 0.000 -0.406 0.000) 0.406 12.352 ( 0.000 3.949 0.000) 3.949 12.410 ( 0.000 1.520 0.000) 1.520 13.087 ( 0.000 -0.790 0.000) 0.790 13.094 ( 0.000 -0.922 0.000) 0.922 13.321 ( 0.000 4.325 0.000) 4.325 13.572 ( 0.000 -5.494 0.000) 5.494 14.352 ( 0.000 3.822 0.000) 3.822 14.404 ( 0.000 15.005 0.000) 15.005 14.683 ( 0.000 -10.078 0.000) 10.078 15.105 ( 0.000 2.641 0.000) 2.641 15.118 ( 0.000 0.563 0.000) 0.563 15.267 ( 0.000 -19.519 0.000) 19.519 15.734 ( 0.000 3.773 0.000) 3.773 15.761 ( 0.000 2.297 0.000) 2.297 15.788 ( 0.000 1.653 0.000) 1.653 15.795 ( 0.000 -0.469 0.000) 0.469 16.081 ( 0.000 -0.559 0.000) 0.559 16.088 ( 0.000 7.733 0.000) 7.733 16.182 ( 0.000 -4.143 0.000) 4.143 16.367 ( 0.000 -3.561 0.000) 3.561 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 11.512 14.968 0.000) 18.883 0.708 ( 4.865 26.125 0.000) 26.574 0.740 ( 28.084 8.986 0.000) 29.487 1.212 ( 16.025 -8.160 0.000) 17.983 1.239 ( 4.086 -13.218 0.000) 13.835 1.401 ( 6.536 0.633 0.000) 6.567 1.438 ( 7.586 -0.744 0.000) 7.623 1.518 ( -1.579 -4.255 0.000) 4.538 1.665 ( 5.784 1.399 0.000) 5.951 1.727 ( 1.495 -0.521 0.000) 1.584 1.745 ( 1.065 -0.070 0.000) 1.067 1.769 ( 2.059 -0.238 0.000) 2.072 1.806 ( 4.702 2.685 0.000) 5.414 1.850 ( 4.051 1.387 0.000) 4.281 1.921 ( 3.059 -0.544 0.000) 3.107 1.992 ( -1.036 2.900 0.000) 3.080 2.065 ( 1.431 -1.305 0.000) 1.937 2.217 ( -2.414 1.158 0.000) 2.677 2.247 ( -3.731 1.279 0.000) 3.944 2.276 ( -1.815 -11.575 0.000) 11.717 2.324 ( -3.774 5.783 0.000) 6.905 2.331 ( -3.313 3.255 0.000) 4.645 2.354 ( -0.590 3.188 0.000) 3.242 2.453 ( -2.984 -1.286 0.000) 3.249 2.549 ( 0.885 1.697 0.000) 1.914 2.567 ( 3.826 0.532 0.000) 3.862 2.596 ( -3.504 -4.660 0.000) 5.830 2.703 ( 5.680 -1.194 0.000) 5.804 2.789 ( -0.653 -1.989 0.000) 2.093 2.919 ( 4.427 -2.454 0.000) 5.062 2.972 ( -0.557 4.464 0.000) 4.499 3.097 ( 1.215 1.125 0.000) 1.656 3.119 ( -8.205 -2.202 0.000) 8.495 3.236 ( 1.693 -4.169 0.000) 4.500 3.316 ( 0.215 -4.309 0.000) 4.315 3.397 ( 1.921 -4.314 0.000) 4.722 3.499 ( -4.821 5.484 0.000) 7.302 3.573 ( -1.919 0.495 0.000) 1.982 3.594 ( 0.424 -1.230 0.000) 1.301 3.613 ( -5.651 -0.018 0.000) 5.651 3.744 ( -2.915 4.632 0.000) 5.472 3.877 ( -3.186 4.654 0.000) 5.640 3.883 ( 4.506 2.932 0.000) 5.376 3.982 ( 4.389 0.198 0.000) 4.394 4.000 ( 6.666 -0.167 0.000) 6.668 4.103 ( -1.475 -1.488 0.000) 2.095 4.187 ( 1.916 1.190 0.000) 2.256 4.197 ( -4.369 0.330 0.000) 4.381 4.234 ( 1.220 -0.992 0.000) 1.572 4.309 ( 0.521 -2.251 0.000) 2.311 4.372 ( 3.704 4.177 0.000) 5.583 4.430 ( 3.844 6.659 0.000) 7.688 4.468 ( -0.776 3.708 0.000) 3.789 4.522 ( 2.001 4.556 0.000) 4.976 4.532 ( 0.381 -2.308 0.000) 2.340 4.617 ( -0.238 -1.514 0.000) 1.533 4.631 ( 4.640 1.522 0.000) 4.883 4.699 ( -0.698 -0.691 0.000) 0.982 4.731 ( 8.205 -1.322 0.000) 8.311 4.766 ( 7.057 1.667 0.000) 7.251 4.802 ( 0.410 -3.566 0.000) 3.589 4.821 ( 2.469 -0.258 0.000) 2.482 4.879 ( 4.586 3.456 0.000) 5.743 4.883 ( -0.802 0.205 0.000) 0.828 5.042 ( 4.577 -2.222 0.000) 5.088 5.093 ( 3.990 -1.985 0.000) 4.457 5.149 ( 1.182 2.947 0.000) 3.175 5.256 ( 3.962 1.514 0.000) 4.242 5.309 ( -2.432 1.589 0.000) 2.905 5.321 ( 4.834 0.458 0.000) 4.856 5.336 ( 8.814 5.759 0.000) 10.529 5.506 ( 0.287 7.005 0.000) 7.011 5.519 ( 1.307 5.058 0.000) 5.224 5.624 ( 1.430 -0.828 0.000) 1.652 5.658 ( 3.071 1.061 0.000) 3.249 5.719 ( 5.721 -6.062 0.000) 8.335 5.747 ( -5.188 4.375 0.000) 6.786 5.832 ( 0.475 4.742 0.000) 4.766 5.932 ( 3.260 2.341 0.000) 4.014 5.959 ( -0.477 2.074 0.000) 2.128 6.002 ( -4.901 -1.685 0.000) 5.183 6.218 ( -1.777 8.536 0.000) 8.719 6.221 ( -0.262 0.428 0.000) 0.502 6.414 ( -7.984 1.542 0.000) 8.131 6.489 ( 1.477 7.014 0.000) 7.168 6.489 ( -3.173 1.439 0.000) 3.484 6.525 ( 5.739 3.706 0.000) 6.832 6.722 ( -1.832 -6.603 0.000) 6.852 6.783 ( 7.239 -0.358 0.000) 7.247 6.789 ( 3.703 -8.046 0.000) 8.857 7.018 ( 1.207 -10.966 0.000) 11.032 7.281 ( 21.702 -11.580 0.000) 24.598 7.328 ( 2.598 -7.172 0.000) 7.628 7.404 ( -8.866 -7.866 0.000) 11.852 7.655 ( -7.612 3.911 0.000) 8.558 7.711 ( 3.751 -3.558 0.000) 5.170 7.836 ( 6.479 7.178 0.000) 9.669 7.866 ( -0.973 -3.568 0.000) 3.699 7.981 ( 10.658 -10.995 0.000) 15.313 8.076 ( 7.979 -1.916 0.000) 8.206 8.188 ( 1.210 -1.935 0.000) 2.282 8.208 ( 2.879 4.368 0.000) 5.231 8.281 ( 5.897 5.384 0.000) 7.985 8.365 ( -2.098 -1.113 0.000) 2.375 8.367 ( 6.276 -2.111 0.000) 6.621 8.526 ( 1.257 -4.125 0.000) 4.312 8.716 ( -0.923 14.129 0.000) 14.159 8.904 ( -0.886 2.122 0.000) 2.299 9.096 ( 5.347 0.359 0.000) 5.359 9.378 ( -3.252 -7.608 0.000) 8.274 10.191 ( 8.173 -0.312 0.000) 8.179 10.217 ( 7.322 1.511 0.000) 7.477 10.218 ( 7.442 -0.822 0.000) 7.487 10.254 ( 2.824 1.912 0.000) 3.410 10.353 ( -12.303 7.691 0.000) 14.509 10.508 ( -17.505 0.459 0.000) 17.511 10.838 ( 0.826 4.054 0.000) 4.137 10.927 ( 5.031 -0.592 0.000) 5.066 11.895 ( -2.688 1.178 0.000) 2.935 11.950 ( 17.662 1.965 0.000) 17.771 11.969 ( -0.852 -1.142 0.000) 1.425 12.081 ( 0.423 2.106 0.000) 2.148 12.162 ( 2.971 -0.983 0.000) 3.129 12.304 ( -4.585 3.736 0.000) 5.915 12.379 ( -3.122 0.922 0.000) 3.255 12.568 ( 37.236 -35.832 0.000) 51.676 13.040 ( -4.348 -0.670 0.000) 4.399 13.061 ( -3.576 -0.770 0.000) 3.658 13.327 ( 0.986 4.773 0.000) 4.874 13.612 ( 4.199 -5.984 0.000) 7.310 14.318 ( -3.278 3.536 0.000) 4.822 14.435 ( 3.488 13.359 0.000) 13.807 14.617 ( -6.734 -8.662 0.000) 10.972 15.079 ( -18.238 4.306 0.000) 18.739 15.129 ( 3.265 1.953 0.000) 3.804 15.174 ( 4.342 0.076 0.000) 4.342 15.483 ( -8.750 4.556 0.000) 9.865 15.680 ( -5.168 3.369 0.000) 6.169 15.732 ( -3.534 1.738 0.000) 3.938 15.745 ( -4.719 1.403 0.000) 4.923 16.091 ( 0.728 -0.729 0.000) 1.030 16.153 ( -2.455 -2.931 0.000) 3.823 16.210 ( -0.706 -6.875 0.000) 6.911 16.303 ( -5.236 -3.798 0.000) 6.468 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 14.602 10.383 0.000) 17.917 0.863 ( 10.612 19.488 0.000) 22.190 1.252 ( 21.207 3.289 0.000) 21.460 1.341 ( 5.932 -9.495 0.000) 11.196 1.480 ( 5.878 -5.259 0.000) 7.887 1.534 ( 4.879 -1.720 0.000) 5.173 1.589 ( 14.659 0.626 0.000) 14.672 1.642 ( 12.331 -0.549 0.000) 12.343 1.738 ( 0.020 0.965 0.000) 0.965 1.749 ( 3.320 -0.584 0.000) 3.371 1.797 ( 2.303 -0.623 0.000) 2.385 1.830 ( 2.426 -1.443 0.000) 2.822 1.883 ( 2.814 -0.292 0.000) 2.829 1.946 ( 5.320 -0.977 0.000) 5.409 1.991 ( 3.492 -1.345 0.000) 3.742 2.030 ( 4.353 4.991 0.000) 6.623 2.100 ( 2.858 -0.587 0.000) 2.918 2.172 ( -0.272 0.676 0.000) 0.728 2.193 ( -1.088 0.860 0.000) 1.387 2.246 ( -0.188 -0.794 0.000) 0.816 2.260 ( -2.943 -4.439 0.000) 5.326 2.307 ( -0.404 0.444 0.000) 0.600 2.312 ( -4.001 0.763 0.000) 4.074 2.381 ( -1.928 6.376 0.000) 6.661 2.472 ( -4.685 -3.110 0.000) 5.623 2.598 ( 0.803 0.252 0.000) 0.842 2.626 ( 1.477 6.124 0.000) 6.300 2.769 ( 5.473 -7.247 0.000) 9.082 2.874 ( -5.413 -1.828 0.000) 5.714 2.896 ( 6.477 -4.083 0.000) 7.657 2.903 ( -9.588 1.059 0.000) 9.646 3.083 ( 2.827 -0.642 0.000) 2.899 3.130 ( 2.383 1.509 0.000) 2.820 3.229 ( -1.989 -2.173 0.000) 2.946 3.308 ( -0.596 -1.323 0.000) 1.452 3.394 ( -2.101 -2.040 0.000) 2.928 3.445 ( -0.399 3.903 0.000) 3.923 3.510 ( -3.517 1.793 0.000) 3.948 3.519 ( -2.479 2.496 0.000) 3.518 3.577 ( -1.424 -1.103 0.000) 1.802 3.763 ( 2.827 3.145 0.000) 4.228 3.788 ( -5.444 3.056 0.000) 6.243 3.958 ( 2.026 -1.036 0.000) 2.275 3.966 ( -6.952 -1.992 0.000) 7.231 4.088 ( 2.041 -0.288 0.000) 2.062 4.133 ( 5.525 -1.323 0.000) 5.681 4.190 ( 4.196 3.511 0.000) 5.471 4.244 ( 2.755 0.964 0.000) 2.919 4.266 ( 1.685 -0.225 0.000) 1.700 4.356 ( 3.123 1.884 0.000) 3.647 4.408 ( -0.805 0.862 0.000) 1.179 4.435 ( -2.701 4.153 0.000) 4.954 4.519 ( -1.937 4.167 0.000) 4.595 4.526 ( 6.234 2.112 0.000) 6.582 4.572 ( 2.228 -3.236 0.000) 3.929 4.597 ( -1.662 -0.437 0.000) 1.719 4.681 ( -1.231 1.893 0.000) 2.258 4.737 ( 6.380 0.353 0.000) 6.390 4.791 ( -2.240 -4.712 0.000) 5.218 4.803 ( -0.768 3.871 0.000) 3.946 4.832 ( 0.117 -2.897 0.000) 2.899 4.922 ( 4.591 4.523 0.000) 6.445 4.935 ( 12.024 2.651 0.000) 12.313 4.987 ( 5.393 6.830 0.000) 8.702 5.154 ( 1.707 -3.887 0.000) 4.245 5.155 ( 1.596 -2.259 0.000) 2.766 5.209 ( 7.924 -0.623 0.000) 7.948 5.270 ( 1.825 7.946 0.000) 8.153 5.383 ( 0.575 1.095 0.000) 1.236 5.438 ( 10.448 -4.802 0.000) 11.499 5.539 ( 2.712 5.769 0.000) 6.375 5.573 ( 5.076 -0.224 0.000) 5.081 5.591 ( 11.764 4.772 0.000) 12.695 5.642 ( 0.586 2.817 0.000) 2.878 5.666 ( 0.181 1.960 0.000) 1.968 5.750 ( 7.076 0.871 0.000) 7.129 5.838 ( 3.751 -3.691 0.000) 5.262 5.883 ( 5.356 -4.289 0.000) 6.862 5.934 ( -2.766 5.251 0.000) 5.935 5.937 ( -0.494 3.876 0.000) 3.907 5.971 ( -0.482 -3.604 0.000) 3.636 6.202 ( -0.848 2.650 0.000) 2.782 6.299 ( -3.762 0.951 0.000) 3.880 6.317 ( 9.990 9.776 0.000) 13.978 6.466 ( 0.533 -1.830 0.000) 1.906 6.519 ( 2.440 2.881 0.000) 3.775 6.655 ( 6.337 1.801 0.000) 6.587 6.681 ( -1.747 -7.585 0.000) 7.783 6.779 ( -3.994 -10.157 0.000) 10.914 6.940 ( 8.481 -4.429 0.000) 9.568 7.093 ( 7.090 -1.349 0.000) 7.217 7.205 ( -9.698 -5.486 0.000) 11.142 7.386 ( 0.185 -10.615 0.000) 10.616 7.510 ( -5.555 5.891 0.000) 8.097 7.674 ( 18.213 -11.466 0.000) 21.522 7.798 ( -5.099 -1.947 0.000) 5.458 7.807 ( 3.449 0.791 0.000) 3.539 7.997 ( 8.629 7.644 0.000) 11.528 8.139 ( 2.745 -6.989 0.000) 7.509 8.187 ( 2.884 8.668 0.000) 9.135 8.232 ( 0.120 4.860 0.000) 4.862 8.313 ( 0.354 2.097 0.000) 2.127 8.317 ( 11.780 -3.733 0.000) 12.357 8.439 ( 9.049 1.296 0.000) 9.142 8.494 ( 5.196 -2.134 0.000) 5.618 8.593 ( 5.953 -4.294 0.000) 7.340 8.712 ( 1.494 8.379 0.000) 8.511 8.891 ( -0.667 3.010 0.000) 3.083 9.233 ( 8.156 -3.371 0.000) 8.825 9.315 ( -1.439 -5.632 0.000) 5.813 10.054 ( -7.513 2.419 0.000) 7.893 10.178 ( -12.127 -0.364 0.000) 12.133 10.392 ( 11.968 -0.398 0.000) 11.975 10.423 ( 12.754 -0.727 0.000) 12.775 10.460 ( 13.662 1.586 0.000) 13.754 10.570 ( 15.329 -2.349 0.000) 15.508 10.915 ( 6.359 3.408 0.000) 7.215 11.058 ( 8.142 -1.671 0.000) 8.312 11.814 ( -5.703 1.696 0.000) 5.949 11.934 ( -3.189 -2.317 0.000) 3.941 12.069 ( -1.363 2.664 0.000) 2.992 12.157 ( 1.167 -0.274 0.000) 1.198 12.195 ( -5.950 3.307 0.000) 6.807 12.294 ( -5.317 -0.225 0.000) 5.322 12.311 ( 12.403 5.100 0.000) 13.410 12.884 ( 1.028 -17.098 0.000) 17.129 12.930 ( -6.638 -0.235 0.000) 6.642 12.962 ( -6.323 -0.490 0.000) 6.342 13.374 ( 3.652 2.726 0.000) 4.557 13.718 ( 5.686 -8.252 0.000) 10.021 14.235 ( -5.117 2.334 0.000) 5.624 14.428 ( -12.332 -5.228 0.000) 13.394 14.548 ( 7.974 9.310 0.000) 12.258 14.809 ( -7.307 13.013 0.000) 14.924 15.219 ( 5.475 0.336 0.000) 5.485 15.263 ( 4.378 -0.845 0.000) 4.459 15.410 ( -1.473 -4.320 0.000) 4.564 15.548 ( -8.078 2.422 0.000) 8.433 15.597 ( -10.249 1.338 0.000) 10.336 15.652 ( -4.062 -2.644 0.000) 4.846 16.092 ( -0.931 -0.858 0.000) 1.266 16.095 ( -7.677 -4.086 0.000) 8.697 16.114 ( -1.296 -0.773 0.000) 1.510 16.199 ( -5.875 -3.645 0.000) 6.913 ======================= Grid point 12 (9/45) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 14.147 7.441 0.000) 15.985 1.097 ( 12.880 12.244 0.000) 17.771 1.456 ( 5.651 -5.029 0.000) 7.564 1.502 ( 6.702 -3.653 0.000) 7.633 1.558 ( 2.509 -0.687 0.000) 2.602 1.623 ( 3.238 -1.362 0.000) 3.513 1.703 ( -4.755 2.532 0.000) 5.387 1.781 ( -1.350 -0.839 0.000) 1.590 1.823 ( 4.706 1.882 0.000) 5.069 1.831 ( 2.277 -1.334 0.000) 2.640 1.845 ( 7.983 1.029 0.000) 8.049 1.861 ( 2.731 -2.891 0.000) 3.977 1.971 ( 6.712 -1.040 0.000) 6.792 2.013 ( 1.449 -2.642 0.000) 3.013 2.037 ( 1.544 -2.771 0.000) 3.172 2.071 ( 1.090 -1.465 0.000) 1.826 2.171 ( -2.083 1.297 0.000) 2.453 2.178 ( -3.971 -1.149 0.000) 4.134 2.201 ( 0.477 0.471 0.000) 0.671 2.239 ( 0.107 5.663 0.000) 5.664 2.248 ( 6.701 2.062 0.000) 7.011 2.273 ( 2.041 2.219 0.000) 3.015 2.310 ( 0.904 4.339 0.000) 4.432 2.432 ( 7.218 0.396 0.000) 7.229 2.495 ( 8.249 -2.161 0.000) 8.527 2.607 ( -1.940 -4.190 0.000) 4.618 2.633 ( -0.552 3.783 0.000) 3.823 2.687 ( -7.009 -3.685 0.000) 7.919 2.811 ( -1.808 5.730 0.000) 6.008 2.880 ( 4.583 -6.440 0.000) 7.904 3.010 ( 5.473 -5.809 0.000) 7.981 3.079 ( -3.102 -5.837 0.000) 6.610 3.133 ( -0.424 3.867 0.000) 3.890 3.265 ( 4.245 0.359 0.000) 4.260 3.278 ( -2.751 1.519 0.000) 3.142 3.335 ( -3.198 -0.768 0.000) 3.289 3.437 ( -0.325 2.668 0.000) 2.688 3.491 ( -1.120 4.611 0.000) 4.745 3.507 ( 2.354 2.478 0.000) 3.418 3.564 ( -0.115 1.827 0.000) 1.830 3.682 ( -4.788 1.310 0.000) 4.964 3.768 ( -11.604 0.920 0.000) 11.640 3.814 ( 2.448 -0.479 0.000) 2.495 3.977 ( -0.818 -4.134 0.000) 4.214 4.140 ( 2.528 1.201 0.000) 2.799 4.221 ( 2.383 2.114 0.000) 3.186 4.234 ( -0.350 1.236 0.000) 1.285 4.312 ( 2.126 -0.252 0.000) 2.141 4.312 ( 5.301 -1.413 0.000) 5.486 4.375 ( -2.646 5.249 0.000) 5.878 4.392 ( 0.634 -0.031 0.000) 0.635 4.427 ( 3.025 0.456 0.000) 3.060 4.478 ( -1.665 3.946 0.000) 4.283 4.542 ( -2.312 10.222 0.000) 10.480 4.566 ( -1.210 -0.237 0.000) 1.233 4.588 ( -0.424 -4.607 0.000) 4.627 4.639 ( -3.152 2.037 0.000) 3.753 4.747 ( -1.576 -1.625 0.000) 2.264 4.827 ( -1.071 -2.985 0.000) 3.171 4.836 ( 2.987 1.769 0.000) 3.472 4.939 ( 13.331 0.775 0.000) 13.353 5.027 ( 3.672 0.214 0.000) 3.678 5.047 ( 0.083 2.183 0.000) 2.185 5.103 ( 0.833 -5.152 0.000) 5.219 5.144 ( -0.799 -2.471 0.000) 2.597 5.175 ( 5.473 -0.683 0.000) 5.516 5.306 ( -1.863 3.725 0.000) 4.165 5.357 ( 6.867 6.082 0.000) 9.174 5.366 ( 3.511 4.440 0.000) 5.660 5.564 ( -0.869 3.294 0.000) 3.407 5.599 ( 6.184 -4.400 0.000) 7.589 5.627 ( 3.627 6.227 0.000) 7.206 5.703 ( 0.852 -3.712 0.000) 3.808 5.746 ( 7.502 -1.402 0.000) 7.632 5.787 ( 1.129 0.657 0.000) 1.307 5.821 ( 4.561 8.099 0.000) 9.296 5.866 ( -1.676 -2.165 0.000) 2.738 5.952 ( 1.854 -3.734 0.000) 4.169 5.955 ( 3.542 0.417 0.000) 3.566 6.002 ( 5.139 -1.911 0.000) 5.482 6.053 ( 11.666 -5.108 0.000) 12.735 6.193 ( -1.974 3.290 0.000) 3.836 6.232 ( -1.531 2.701 0.000) 3.105 6.433 ( -6.566 -13.745 0.000) 15.232 6.493 ( 6.807 7.797 0.000) 10.350 6.627 ( 8.267 0.046 0.000) 8.267 6.667 ( -1.262 -6.001 0.000) 6.133 6.733 ( 3.316 -2.686 0.000) 4.267 6.776 ( 7.236 1.743 0.000) 7.443 7.041 ( -6.379 -1.208 0.000) 6.492 7.080 ( 5.197 -7.700 0.000) 9.290 7.240 ( 5.934 7.301 0.000) 9.409 7.293 ( -6.923 -3.747 0.000) 7.872 7.497 ( 1.354 -1.875 0.000) 2.313 7.676 ( -6.815 -3.801 0.000) 7.804 7.816 ( 0.104 8.642 0.000) 8.643 7.942 ( 1.520 -13.790 0.000) 13.874 8.116 ( 5.020 -3.638 0.000) 6.200 8.134 ( 4.615 12.308 0.000) 13.145 8.202 ( -1.687 14.163 0.000) 14.263 8.258 ( 1.079 1.985 0.000) 2.259 8.343 ( 4.548 0.884 0.000) 4.634 8.517 ( 2.618 -3.375 0.000) 4.272 8.576 ( 8.313 -1.475 0.000) 8.443 8.659 ( 10.324 0.458 0.000) 10.334 8.726 ( 6.578 -2.133 0.000) 6.915 8.777 ( 3.275 -0.279 0.000) 3.287 8.861 ( -2.870 0.652 0.000) 2.943 9.296 ( 4.811 -1.955 0.000) 5.193 9.495 ( 14.729 -5.465 0.000) 15.711 9.925 ( -7.354 0.609 0.000) 7.379 10.038 ( -3.097 -3.329 0.000) 4.547 10.645 ( 13.522 -0.011 0.000) 13.522 10.674 ( 12.312 -0.443 0.000) 12.320 10.728 ( 12.512 2.523 0.000) 12.763 10.854 ( 12.996 -2.670 0.000) 13.268 11.065 ( 8.537 2.566 0.000) 8.915 11.232 ( 9.555 -3.032 0.000) 10.025 11.672 ( -8.916 2.047 0.000) 9.148 11.829 ( -7.723 -3.415 0.000) 8.445 12.021 ( -3.086 2.433 0.000) 3.929 12.096 ( -4.084 2.306 0.000) 4.690 12.116 ( -4.451 -0.540 0.000) 4.484 12.181 ( -6.214 -0.567 0.000) 6.240 12.513 ( 8.240 5.438 0.000) 9.873 12.798 ( -6.432 0.425 0.000) 6.446 12.803 ( -6.398 -3.057 0.000) 7.091 12.833 ( -6.421 0.004 0.000) 6.421 13.470 ( 6.662 3.306 0.000) 7.438 13.815 ( 4.533 -8.307 0.000) 9.464 14.126 ( -5.935 -0.135 0.000) 5.937 14.160 ( -14.620 -1.523 0.000) 14.699 14.723 ( 8.497 7.061 0.000) 11.048 14.784 ( 4.712 7.206 0.000) 8.610 15.297 ( -5.102 0.118 0.000) 5.103 15.319 ( 3.009 -0.981 0.000) 3.165 15.362 ( -9.445 2.092 0.000) 9.674 15.392 ( -0.659 -3.274 0.000) 3.339 15.423 ( -2.994 0.014 0.000) 2.994 15.591 ( -2.223 -7.385 0.000) 7.713 15.977 ( -3.829 -1.042 0.000) 3.968 16.064 ( -1.945 -0.254 0.000) 1.962 16.084 ( -2.046 -0.253 0.000) 2.061 16.090 ( -4.613 -1.428 0.000) 4.829 ======================= Grid point 13 (10/45) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 11.729 6.090 0.000) 13.216 1.344 ( 11.170 4.921 0.000) 12.206 1.516 ( -5.412 2.254 0.000) 5.862 1.535 ( -2.742 -0.123 0.000) 2.745 1.579 ( -2.363 1.160 0.000) 2.632 1.598 ( 1.313 -3.556 0.000) 3.791 1.669 ( 2.516 -1.465 0.000) 2.911 1.731 ( -3.297 -2.769 0.000) 4.306 1.864 ( 1.161 -0.891 0.000) 1.463 1.865 ( 0.985 0.695 0.000) 1.206 1.919 ( 1.144 -0.683 0.000) 1.332 1.921 ( 1.540 -1.201 0.000) 1.954 2.038 ( 1.762 -0.135 0.000) 1.768 2.052 ( 0.668 0.020 0.000) 0.669 2.058 ( 0.779 0.092 0.000) 0.785 2.090 ( -2.367 0.736 0.000) 2.479 2.101 ( 0.497 -1.176 0.000) 1.277 2.124 ( -1.811 -0.190 0.000) 1.821 2.221 ( 1.838 -1.780 0.000) 2.559 2.237 ( 0.541 1.746 0.000) 1.828 2.318 ( 0.603 5.304 0.000) 5.338 2.321 ( 0.237 5.904 0.000) 5.909 2.354 ( 4.266 2.507 0.000) 4.948 2.463 ( -7.422 -3.402 0.000) 8.165 2.583 ( 3.204 -2.366 0.000) 3.983 2.613 ( -1.477 -2.242 0.000) 2.685 2.642 ( 5.517 -4.954 0.000) 7.415 2.714 ( 3.802 -5.347 0.000) 6.561 2.892 ( 7.636 3.640 0.000) 8.459 2.933 ( 0.927 1.298 0.000) 1.594 3.006 ( -0.830 -1.878 0.000) 2.053 3.073 ( -0.645 -4.271 0.000) 4.320 3.164 ( 3.085 4.570 0.000) 5.514 3.219 ( -2.822 2.528 0.000) 3.789 3.293 ( -0.831 -1.554 0.000) 1.762 3.308 ( -0.721 -0.587 0.000) 0.930 3.443 ( 0.778 3.351 0.000) 3.440 3.463 ( -1.520 4.477 0.000) 4.728 3.537 ( -2.311 5.928 0.000) 6.363 3.547 ( -2.991 0.624 0.000) 3.056 3.583 ( -0.727 4.123 0.000) 4.186 3.622 ( -1.906 -1.435 0.000) 2.385 3.868 ( 3.118 -4.155 0.000) 5.195 3.933 ( -3.280 -5.735 0.000) 6.607 4.169 ( 1.277 2.853 0.000) 3.126 4.204 ( -2.139 2.046 0.000) 2.960 4.262 ( 1.612 -2.066 0.000) 2.620 4.295 ( -2.154 -1.505 0.000) 2.628 4.374 ( 1.155 4.987 0.000) 5.119 4.386 ( 0.781 2.797 0.000) 2.904 4.414 ( 2.860 -0.267 0.000) 2.873 4.457 ( -0.948 3.023 0.000) 3.168 4.481 ( 1.108 4.694 0.000) 4.823 4.528 ( -3.395 1.336 0.000) 3.649 4.548 ( 4.641 9.091 0.000) 10.207 4.593 ( -0.881 0.770 0.000) 1.169 4.597 ( 1.679 -4.790 0.000) 5.075 4.691 ( -5.469 2.419 0.000) 5.980 4.824 ( 2.096 0.166 0.000) 2.103 4.866 ( -0.039 5.480 0.000) 5.480 4.972 ( -3.827 -6.583 0.000) 7.614 4.985 ( -3.898 -3.947 0.000) 5.547 5.140 ( 2.745 -2.395 0.000) 3.643 5.175 ( 0.064 -4.669 0.000) 4.669 5.191 ( 9.733 0.608 0.000) 9.752 5.272 ( -0.785 5.355 0.000) 5.412 5.287 ( 5.939 -4.357 0.000) 7.365 5.427 ( -4.993 -1.786 0.000) 5.303 5.490 ( 5.841 1.743 0.000) 6.095 5.498 ( 2.776 3.987 0.000) 4.858 5.685 ( 1.786 0.665 0.000) 1.906 5.699 ( -2.282 3.611 0.000) 4.272 5.751 ( 3.742 1.577 0.000) 4.061 5.790 ( 1.179 3.011 0.000) 3.233 5.793 ( -1.140 -1.864 0.000) 2.185 5.847 ( -1.061 0.132 0.000) 1.070 5.866 ( 4.178 -3.907 0.000) 5.721 5.953 ( -3.158 -1.992 0.000) 3.734 6.032 ( 4.541 2.205 0.000) 5.048 6.109 ( 5.459 -1.081 0.000) 5.565 6.123 ( -4.085 3.951 0.000) 5.684 6.211 ( -4.101 2.502 0.000) 4.804 6.228 ( 4.424 -8.668 0.000) 9.732 6.282 ( -4.568 -15.362 0.000) 16.027 6.587 ( 3.708 4.334 0.000) 5.704 6.644 ( -1.771 -0.322 0.000) 1.800 6.780 ( 5.803 -2.492 0.000) 6.315 6.814 ( 2.126 -3.708 0.000) 4.274 6.955 ( 9.661 1.233 0.000) 9.740 7.003 ( 2.594 2.898 0.000) 3.889 7.118 ( -1.586 -1.952 0.000) 2.515 7.161 ( -6.685 -1.405 0.000) 6.831 7.305 ( 3.506 3.758 0.000) 5.140 7.436 ( -8.167 -0.591 0.000) 8.188 7.637 ( 4.273 -7.197 0.000) 8.370 7.777 ( -8.933 -4.744 0.000) 10.114 7.914 ( 7.498 7.813 0.000) 10.829 8.083 ( -8.048 13.679 0.000) 15.871 8.216 ( 2.282 12.079 0.000) 12.293 8.249 ( -0.882 6.834 0.000) 6.890 8.340 ( 10.412 -6.018 0.000) 12.026 8.486 ( -4.532 -4.261 0.000) 6.221 8.498 ( 10.621 -2.007 0.000) 10.809 8.699 ( -5.672 1.623 0.000) 5.900 8.732 ( 1.443 -6.037 0.000) 6.207 8.769 ( 1.016 -0.576 0.000) 1.168 8.825 ( 3.254 -0.877 0.000) 3.370 8.847 ( 0.610 -1.474 0.000) 1.595 9.490 ( 13.446 1.990 0.000) 13.592 9.744 ( -11.506 1.613 0.000) 11.619 9.783 ( 13.325 -6.846 0.000) 14.980 9.972 ( -5.779 -5.808 0.000) 8.194 10.861 ( 7.008 0.784 0.000) 7.052 10.897 ( 3.793 2.218 0.000) 4.394 10.899 ( 10.627 -0.558 0.000) 10.642 11.011 ( 1.003 -2.237 0.000) 2.452 11.247 ( 10.842 2.317 0.000) 11.087 11.429 ( 10.861 -4.371 0.000) 11.707 11.472 ( -11.404 2.105 0.000) 11.597 11.645 ( -10.783 -4.199 0.000) 11.572 11.988 ( 0.750 1.341 0.000) 1.536 12.031 ( -2.499 1.037 0.000) 2.706 12.034 ( -2.544 0.116 0.000) 2.546 12.063 ( -5.409 0.199 0.000) 5.413 12.639 ( 4.943 3.305 0.000) 5.946 12.702 ( -2.936 1.336 0.000) 3.225 12.703 ( -2.894 1.356 0.000) 3.196 12.726 ( -4.492 1.088 0.000) 4.622 13.640 ( 10.739 3.064 0.000) 11.168 13.880 ( -13.711 1.328 0.000) 13.775 13.906 ( 5.004 -6.586 0.000) 8.271 14.011 ( -5.774 -3.479 0.000) 6.741 14.865 ( 8.512 7.044 0.000) 11.049 14.964 ( 10.861 3.001 0.000) 11.268 15.072 ( -12.435 4.825 0.000) 13.338 15.171 ( -10.251 2.375 0.000) 10.523 15.370 ( 1.192 -1.680 0.000) 2.060 15.382 ( -0.371 -2.024 0.000) 2.058 15.474 ( 4.385 -5.182 0.000) 6.788 15.547 ( -2.871 -8.226 0.000) 8.712 15.953 ( 1.251 0.738 0.000) 1.452 16.007 ( -3.546 0.376 0.000) 3.565 16.037 ( -0.803 -0.296 0.000) 0.856 16.047 ( -1.456 -0.157 0.000) 1.464 ======================= Grid point 18 (11/45) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.000 -14.936 0.000) 14.936 0.708 ( 0.000 14.936 0.000) 14.936 0.830 ( 0.000 -18.318 0.000) 18.318 0.830 ( 0.000 18.318 0.000) 18.318 1.263 ( 0.000 -18.809 0.000) 18.809 1.263 ( 0.000 18.809 0.000) 18.809 1.358 ( 0.000 -0.926 0.000) 0.926 1.358 ( 0.000 0.926 0.000) 0.926 1.665 ( 0.000 -3.503 0.000) 3.503 1.665 ( 0.000 3.503 0.000) 3.503 1.743 ( 0.000 -1.439 0.000) 1.439 1.743 ( 0.000 1.439 0.000) 1.439 1.846 ( 0.000 -2.127 0.000) 2.127 1.846 ( 0.000 2.127 0.000) 2.127 1.888 ( 0.000 -8.182 0.000) 8.182 1.888 ( 0.000 8.182 0.000) 8.182 2.103 ( 0.000 -4.227 0.000) 4.227 2.103 ( 0.000 4.227 0.000) 4.227 2.302 ( 0.000 -0.797 0.000) 0.797 2.302 ( 0.000 0.797 0.000) 0.797 2.442 ( 0.000 -0.224 0.000) 0.224 2.442 ( 0.000 0.224 0.000) 0.224 2.455 ( 0.000 -4.609 0.000) 4.609 2.455 ( 0.000 4.609 0.000) 4.609 2.541 ( 0.000 -3.380 0.000) 3.380 2.541 ( 0.000 3.380 0.000) 3.380 2.688 ( 0.000 -13.465 0.000) 13.465 2.688 ( 0.000 13.465 0.000) 13.465 2.696 ( 0.000 -7.216 0.000) 7.216 2.696 ( 0.000 7.216 0.000) 7.216 3.070 ( 0.000 -3.574 0.000) 3.574 3.070 ( 0.000 3.574 0.000) 3.574 3.133 ( 0.000 -3.679 0.000) 3.679 3.133 ( 0.000 3.679 0.000) 3.679 3.295 ( 0.000 -2.830 0.000) 2.830 3.295 ( 0.000 2.830 0.000) 2.830 3.576 ( 0.000 -0.347 0.000) 0.347 3.576 ( 0.000 0.347 0.000) 0.347 3.661 ( 0.000 -2.542 0.000) 2.542 3.661 ( 0.000 2.542 0.000) 2.542 3.860 ( 0.000 -2.113 0.000) 2.113 3.860 ( 0.000 2.113 0.000) 2.113 3.909 ( 0.000 -1.794 0.000) 1.794 3.909 ( 0.000 1.794 0.000) 1.794 4.048 ( 0.000 -5.369 0.000) 5.369 4.048 ( 0.000 5.369 0.000) 5.369 4.222 ( 0.000 -1.745 0.000) 1.745 4.222 ( 0.000 1.745 0.000) 1.745 4.250 ( 0.000 -2.804 0.000) 2.804 4.250 ( 0.000 2.804 0.000) 2.804 4.427 ( 0.000 -2.649 0.000) 2.649 4.427 ( 0.000 2.649 0.000) 2.649 4.507 ( 0.000 -0.338 0.000) 0.338 4.507 ( 0.000 0.338 0.000) 0.338 4.591 ( 0.000 -0.095 0.000) 0.095 4.591 ( 0.000 0.095 0.000) 0.095 4.637 ( 0.000 -3.494 0.000) 3.494 4.637 ( 0.000 3.494 0.000) 3.494 4.657 ( 0.000 -3.856 0.000) 3.856 4.657 ( 0.000 3.856 0.000) 3.856 4.789 ( 0.000 -0.384 0.000) 0.384 4.789 ( 0.000 0.384 0.000) 0.384 4.919 ( 0.000 -4.282 0.000) 4.282 4.919 ( 0.000 4.282 0.000) 4.282 4.930 ( 0.000 -6.249 0.000) 6.249 4.930 ( 0.000 6.249 0.000) 6.249 5.268 ( 0.000 -1.566 0.000) 1.566 5.268 ( 0.000 1.566 0.000) 1.566 5.280 ( 0.000 -3.166 0.000) 3.166 5.280 ( 0.000 3.166 0.000) 3.166 5.405 ( 0.000 -11.298 0.000) 11.298 5.405 ( 0.000 11.298 0.000) 11.298 5.556 ( 0.000 -0.618 0.000) 0.618 5.556 ( 0.000 0.618 0.000) 0.618 5.714 ( 0.000 -10.267 0.000) 10.267 5.714 ( 0.000 10.267 0.000) 10.267 5.761 ( 0.000 -8.721 0.000) 8.721 5.761 ( 0.000 8.721 0.000) 8.721 6.012 ( 0.000 -3.862 0.000) 3.862 6.012 ( 0.000 3.862 0.000) 3.862 6.076 ( 0.000 -11.484 0.000) 11.484 6.076 ( 0.000 11.484 0.000) 11.484 6.561 ( 0.000 -5.535 0.000) 5.535 6.561 ( 0.000 5.535 0.000) 5.535 6.573 ( 0.000 -5.261 0.000) 5.261 6.573 ( 0.000 5.261 0.000) 5.261 6.633 ( 0.000 -2.689 0.000) 2.689 6.633 ( 0.000 2.689 0.000) 2.689 6.635 ( 0.000 -8.213 0.000) 8.213 6.635 ( 0.000 8.213 0.000) 8.213 6.822 ( 0.000 -17.292 0.000) 17.292 6.822 ( 0.000 17.292 0.000) 17.292 7.304 ( 0.000 -8.282 0.000) 8.282 7.304 ( 0.000 8.282 0.000) 8.282 7.671 ( 0.000 -4.473 0.000) 4.473 7.671 ( 0.000 4.473 0.000) 4.473 7.763 ( 0.000 -1.969 0.000) 1.969 7.763 ( 0.000 1.969 0.000) 1.969 7.955 ( 0.000 -0.286 0.000) 0.286 7.955 ( 0.000 0.286 0.000) 0.286 8.189 ( 0.000 -5.827 0.000) 5.827 8.189 ( 0.000 5.827 0.000) 5.827 8.274 ( 0.000 -4.083 0.000) 4.083 8.274 ( 0.000 4.083 0.000) 4.083 8.367 ( 0.000 -1.574 0.000) 1.574 8.367 ( 0.000 1.574 0.000) 1.574 8.925 ( 0.000 -2.046 0.000) 2.046 8.925 ( 0.000 2.046 0.000) 2.046 9.186 ( 0.000 -11.222 0.000) 11.222 9.186 ( 0.000 11.222 0.000) 11.222 10.117 ( 0.000 -0.269 0.000) 0.269 10.117 ( 0.000 0.269 0.000) 0.269 10.119 ( 0.000 -0.888 0.000) 0.888 10.119 ( 0.000 0.888 0.000) 0.888 10.803 ( 0.000 -5.814 0.000) 5.814 10.803 ( 0.000 5.814 0.000) 5.814 10.955 ( 0.000 -1.401 0.000) 1.401 10.955 ( 0.000 1.401 0.000) 1.401 11.652 ( 0.000 -2.155 0.000) 2.155 11.652 ( 0.000 2.155 0.000) 2.155 11.950 ( 0.000 -1.543 0.000) 1.543 11.950 ( 0.000 1.543 0.000) 1.543 12.123 ( 0.000 -1.752 0.000) 1.752 12.123 ( 0.000 1.752 0.000) 1.752 12.419 ( 0.000 -1.361 0.000) 1.361 12.419 ( 0.000 1.361 0.000) 1.361 13.078 ( 0.000 -0.242 0.000) 0.242 13.078 ( 0.000 0.242 0.000) 0.242 13.440 ( 0.000 -6.170 0.000) 6.170 13.440 ( 0.000 6.170 0.000) 6.170 14.480 ( 0.000 -7.861 0.000) 7.861 14.480 ( 0.000 7.861 0.000) 7.861 14.812 ( 0.000 -21.099 0.000) 21.099 14.812 ( 0.000 21.099 0.000) 21.099 15.128 ( 0.000 -0.101 0.000) 0.101 15.128 ( 0.000 0.101 0.000) 0.101 15.784 ( 0.000 -0.543 0.000) 0.543 15.784 ( 0.000 0.543 0.000) 0.543 15.802 ( 0.000 -1.375 0.000) 1.375 15.802 ( 0.000 1.375 0.000) 1.375 16.096 ( 0.000 -2.678 0.000) 2.678 16.096 ( 0.000 2.678 0.000) 2.678 16.254 ( 0.000 -6.740 0.000) 6.740 16.254 ( 0.000 6.740 0.000) 6.740 ======================= Grid point 20 (12/45) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 7.075 -16.688 0.000) 18.125 0.903 ( 7.075 16.688 0.000) 18.125 0.956 ( 19.579 -9.550 0.000) 21.784 0.956 ( 19.579 9.550 0.000) 21.784 1.273 ( 2.888 -17.796 0.000) 18.029 1.273 ( 2.888 17.796 0.000) 18.029 1.421 ( 6.286 -1.194 0.000) 6.398 1.421 ( 6.286 1.194 0.000) 6.398 1.702 ( 3.035 -1.787 0.000) 3.522 1.702 ( 3.035 1.787 0.000) 3.522 1.751 ( 1.159 -0.975 0.000) 1.515 1.751 ( 1.159 0.975 0.000) 1.515 1.892 ( 3.962 -1.948 0.000) 4.415 1.892 ( 3.962 1.948 0.000) 4.415 1.910 ( 2.111 -7.560 0.000) 7.850 1.910 ( 2.111 7.560 0.000) 7.850 2.095 ( -0.258 -3.883 0.000) 3.891 2.095 ( -0.258 3.883 0.000) 3.891 2.244 ( -4.537 -1.039 0.000) 4.654 2.244 ( -4.537 1.039 0.000) 4.654 2.388 ( -4.081 -2.006 0.000) 4.548 2.388 ( -4.081 2.006 0.000) 4.548 2.474 ( -5.080 -5.177 0.000) 7.253 2.474 ( -5.080 5.177 0.000) 7.253 2.507 ( 4.114 -5.883 0.000) 7.179 2.507 ( 4.114 5.883 0.000) 7.179 2.722 ( 1.169 -12.373 0.000) 12.428 2.722 ( 1.169 12.373 0.000) 12.428 2.724 ( 2.022 -3.048 0.000) 3.658 2.724 ( 2.022 3.048 0.000) 3.658 3.070 ( -0.694 -3.231 0.000) 3.305 3.070 ( -0.694 3.231 0.000) 3.305 3.150 ( 1.394 -3.515 0.000) 3.782 3.150 ( 1.394 3.515 0.000) 3.782 3.300 ( 1.190 -2.792 0.000) 3.035 3.300 ( 1.190 2.792 0.000) 3.035 3.579 ( -0.545 -0.305 0.000) 0.624 3.579 ( -0.545 0.305 0.000) 0.624 3.594 ( -5.269 -2.582 0.000) 5.868 3.594 ( -5.269 2.582 0.000) 5.868 3.855 ( -1.465 -4.819 0.000) 5.037 3.855 ( -1.465 4.819 0.000) 5.037 3.947 ( 2.325 -3.009 0.000) 3.803 3.947 ( 2.325 3.009 0.000) 3.803 4.051 ( 1.103 -3.513 0.000) 3.682 4.051 ( 1.103 3.513 0.000) 3.682 4.210 ( -0.332 -0.957 0.000) 1.013 4.210 ( -0.332 0.957 0.000) 1.013 4.239 ( 0.856 -3.225 0.000) 3.337 4.239 ( 0.856 3.225 0.000) 3.337 4.449 ( 3.461 -3.011 0.000) 4.587 4.449 ( 3.461 3.011 0.000) 4.587 4.558 ( 2.939 -2.847 0.000) 4.092 4.558 ( 2.939 2.847 0.000) 4.092 4.609 ( -0.598 -4.748 0.000) 4.786 4.609 ( -0.598 4.748 0.000) 4.786 4.654 ( -0.363 -3.912 0.000) 3.929 4.654 ( -0.363 3.912 0.000) 3.929 4.750 ( 10.486 -2.710 0.000) 10.831 4.750 ( 10.486 2.710 0.000) 10.831 4.762 ( -1.400 -2.188 0.000) 2.598 4.762 ( -1.400 2.188 0.000) 2.598 4.964 ( 3.713 -4.831 0.000) 6.093 4.964 ( 3.713 4.831 0.000) 6.093 4.993 ( 5.215 -6.371 0.000) 8.233 4.993 ( 5.215 6.371 0.000) 8.233 5.254 ( 0.097 -5.569 0.000) 5.569 5.254 ( 0.097 5.569 0.000) 5.569 5.282 ( 1.447 -1.917 0.000) 2.402 5.282 ( 1.447 1.917 0.000) 2.402 5.497 ( 7.783 -8.294 0.000) 11.374 5.497 ( 7.783 8.294 0.000) 11.374 5.597 ( 4.207 -2.275 0.000) 4.783 5.597 ( 4.207 2.275 0.000) 4.783 5.712 ( -0.026 -7.203 0.000) 7.203 5.712 ( -0.026 7.203 0.000) 7.203 5.767 ( -2.103 -7.048 0.000) 7.355 5.767 ( -2.103 7.048 0.000) 7.355 5.986 ( -0.735 -1.733 0.000) 1.882 5.986 ( -0.735 1.733 0.000) 1.882 6.101 ( 2.001 -10.874 0.000) 11.057 6.101 ( 2.001 10.874 0.000) 11.057 6.474 ( -2.636 -9.347 0.000) 9.712 6.474 ( -2.636 9.347 0.000) 9.712 6.503 ( -5.834 -2.675 0.000) 6.418 6.503 ( -5.834 2.675 0.000) 6.418 6.637 ( -0.430 -2.958 0.000) 2.989 6.637 ( -0.430 2.958 0.000) 2.989 6.668 ( 2.466 -6.806 0.000) 7.239 6.668 ( 2.466 6.806 0.000) 7.239 7.024 ( 14.857 -12.782 0.000) 19.599 7.024 ( 14.857 12.782 0.000) 19.599 7.270 ( -3.453 -2.748 0.000) 4.413 7.270 ( -3.453 2.748 0.000) 4.413 7.728 ( -2.712 -4.407 0.000) 5.174 7.728 ( -2.712 4.407 0.000) 5.174 7.753 ( 8.485 -7.568 0.000) 11.369 7.753 ( 8.485 7.568 0.000) 11.369 8.022 ( 6.299 -5.646 0.000) 8.459 8.022 ( 6.299 5.646 0.000) 8.459 8.250 ( 5.816 -7.173 0.000) 9.234 8.250 ( 5.816 7.173 0.000) 9.234 8.301 ( 2.436 -4.020 0.000) 4.700 8.301 ( 2.436 4.020 0.000) 4.700 8.409 ( 2.965 -6.010 0.000) 6.702 8.409 ( 2.965 6.010 0.000) 6.702 8.925 ( -0.364 -2.571 0.000) 2.597 8.925 ( -0.364 2.571 0.000) 2.597 9.177 ( -0.480 -8.639 0.000) 8.653 9.177 ( -0.480 8.639 0.000) 8.653 10.197 ( 7.708 -0.840 0.000) 7.753 10.197 ( 7.708 0.840 0.000) 7.753 10.235 ( 11.028 -1.045 0.000) 11.077 10.235 ( 11.028 1.045 0.000) 11.077 10.501 ( -23.798 -3.393 0.000) 24.038 10.501 ( -23.798 3.393 0.000) 24.038 10.899 ( 2.895 -2.003 0.000) 3.521 10.899 ( 2.895 2.003 0.000) 3.521 11.932 ( -1.915 -2.016 0.000) 2.780 11.932 ( -1.915 2.016 0.000) 2.780 12.048 ( 18.381 -6.895 0.000) 19.631 12.048 ( 18.381 6.895 0.000) 19.631 12.174 ( 10.479 -4.927 0.000) 11.579 12.174 ( 10.479 4.927 0.000) 11.579 12.374 ( -4.390 -1.871 0.000) 4.772 12.374 ( -4.390 1.871 0.000) 4.772 13.041 ( -3.750 -0.739 0.000) 3.822 13.041 ( -3.750 0.739 0.000) 3.822 13.466 ( 2.537 -7.084 0.000) 7.525 13.466 ( 2.537 7.084 0.000) 7.525 14.436 ( -4.456 -7.187 0.000) 8.457 14.436 ( -4.456 7.187 0.000) 8.457 14.801 ( -0.917 -18.472 0.000) 18.494 14.801 ( -0.917 18.472 0.000) 18.494 15.162 ( 3.224 -1.110 0.000) 3.410 15.162 ( 3.224 1.110 0.000) 3.410 15.673 ( -9.694 -6.722 0.000) 11.797 15.673 ( -9.694 6.722 0.000) 11.797 15.748 ( -5.524 -1.872 0.000) 5.833 15.748 ( -5.524 1.872 0.000) 5.833 16.095 ( -0.029 -1.670 0.000) 1.670 16.095 ( -0.029 1.670 0.000) 1.670 16.205 ( -4.415 -4.210 0.000) 6.101 16.205 ( -4.415 4.210 0.000) 6.101 ======================= Grid point 22 (13/45) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 10.518 -13.285 0.000) 16.945 1.080 ( 10.518 13.285 0.000) 16.945 1.219 ( 7.269 -10.461 0.000) 12.739 1.219 ( 7.269 10.461 0.000) 12.739 1.452 ( 11.051 -5.120 0.000) 12.179 1.452 ( 11.051 5.120 0.000) 12.179 1.614 ( 14.506 -1.542 0.000) 14.588 1.614 ( 14.506 1.542 0.000) 14.588 1.756 ( 2.651 -0.854 0.000) 2.785 1.756 ( 2.651 0.854 0.000) 2.785 1.789 ( 1.606 -1.657 0.000) 2.308 1.789 ( 1.606 1.657 0.000) 2.308 1.952 ( 1.356 -7.333 0.000) 7.457 1.952 ( 1.356 7.333 0.000) 7.457 1.954 ( 1.502 -1.472 0.000) 2.103 1.954 ( 1.502 1.472 0.000) 2.103 2.134 ( 5.623 -3.092 0.000) 6.417 2.134 ( 5.623 3.092 0.000) 6.417 2.191 ( 0.391 -0.800 0.000) 0.891 2.191 ( 0.391 0.800 0.000) 0.891 2.317 ( -2.795 -0.280 0.000) 2.809 2.317 ( -2.795 0.280 0.000) 2.809 2.379 ( -4.018 -4.979 0.000) 6.398 2.379 ( -4.018 4.979 0.000) 6.398 2.572 ( 1.336 -9.920 0.000) 10.010 2.572 ( 1.336 9.920 0.000) 10.010 2.691 ( -4.410 -8.803 0.000) 9.845 2.691 ( -4.410 8.803 0.000) 9.845 2.773 ( 3.929 -6.679 0.000) 7.749 2.773 ( 3.929 6.679 0.000) 7.749 3.024 ( -3.722 -5.116 0.000) 6.326 3.024 ( -3.722 5.116 0.000) 6.326 3.178 ( 1.617 -2.559 0.000) 3.027 3.178 ( 1.617 2.559 0.000) 3.027 3.332 ( 0.729 -2.779 0.000) 2.873 3.332 ( 0.729 2.779 0.000) 2.873 3.517 ( -1.985 -1.840 0.000) 2.707 3.517 ( -1.985 1.840 0.000) 2.707 3.557 ( -0.505 -1.074 0.000) 1.186 3.557 ( -0.505 1.074 0.000) 1.186 3.809 ( -2.956 -1.246 0.000) 3.208 3.809 ( -2.956 1.246 0.000) 3.208 3.944 ( -2.936 -0.088 0.000) 2.938 3.944 ( -2.936 0.088 0.000) 2.938 4.097 ( 4.097 -1.422 0.000) 4.337 4.097 ( 4.097 1.422 0.000) 4.337 4.235 ( 2.551 -1.805 0.000) 3.125 4.235 ( 2.551 1.805 0.000) 3.125 4.301 ( 3.653 -3.420 0.000) 5.004 4.301 ( 3.653 3.420 0.000) 5.004 4.529 ( -1.058 -2.661 0.000) 2.863 4.529 ( -1.058 2.661 0.000) 2.863 4.553 ( -2.634 -2.885 0.000) 3.907 4.553 ( -2.634 2.885 0.000) 3.907 4.600 ( 6.447 -8.003 0.000) 10.277 4.600 ( 6.447 8.003 0.000) 10.277 4.639 ( -1.457 -5.508 0.000) 5.697 4.639 ( -1.457 5.508 0.000) 5.697 4.760 ( 0.342 -3.548 0.000) 3.564 4.760 ( 0.342 3.548 0.000) 3.564 4.937 ( 5.286 -4.196 0.000) 6.749 4.937 ( 5.286 4.196 0.000) 6.749 5.039 ( 3.472 -5.635 0.000) 6.618 5.039 ( 3.472 5.635 0.000) 6.618 5.091 ( 5.021 -3.028 0.000) 5.863 5.091 ( 5.021 3.028 0.000) 5.863 5.305 ( 4.883 -6.865 0.000) 8.425 5.305 ( 4.883 6.865 0.000) 8.425 5.349 ( 5.087 -1.618 0.000) 5.338 5.349 ( 5.087 1.618 0.000) 5.338 5.635 ( 4.222 -2.159 0.000) 4.742 5.635 ( 4.222 2.159 0.000) 4.742 5.682 ( 2.007 -5.975 0.000) 6.303 5.682 ( 2.007 5.975 0.000) 6.303 5.736 ( 3.529 -5.216 0.000) 6.298 5.736 ( 3.529 5.216 0.000) 6.298 5.754 ( 5.345 -5.009 0.000) 7.325 5.754 ( 5.345 5.009 0.000) 7.325 5.966 ( -1.234 -1.314 0.000) 1.802 5.966 ( -1.234 1.314 0.000) 1.802 6.114 ( -1.697 -9.600 0.000) 9.749 6.114 ( -1.697 9.600 0.000) 9.749 6.388 ( -5.070 -5.825 0.000) 7.723 6.388 ( -5.070 5.825 0.000) 7.723 6.505 ( 4.668 -6.111 0.000) 7.690 6.505 ( 4.668 6.111 0.000) 7.690 6.620 ( -0.623 -3.945 0.000) 3.994 6.620 ( -0.623 3.945 0.000) 3.994 6.743 ( 5.415 -7.267 0.000) 9.062 6.743 ( 5.415 7.267 0.000) 9.062 7.185 ( -4.689 -5.138 0.000) 6.956 7.185 ( -4.689 5.138 0.000) 6.956 7.320 ( 15.191 -17.139 0.000) 22.902 7.320 ( 15.191 17.139 0.000) 22.902 7.664 ( -4.060 -7.620 0.000) 8.634 7.664 ( -4.060 7.620 0.000) 8.634 7.937 ( 7.564 -8.977 0.000) 11.739 7.937 ( 7.564 8.977 0.000) 11.739 8.193 ( 10.630 -7.688 0.000) 13.119 8.193 ( 10.630 7.688 0.000) 13.119 8.320 ( -1.589 -1.769 0.000) 2.378 8.320 ( -1.589 1.769 0.000) 2.378 8.383 ( 7.092 -7.909 0.000) 10.623 8.383 ( 7.092 7.909 0.000) 10.623 8.497 ( 8.008 -3.934 0.000) 8.922 8.497 ( 8.008 3.934 0.000) 8.922 8.891 ( -3.512 -5.295 0.000) 6.354 8.891 ( -3.512 5.295 0.000) 6.354 9.201 ( 3.906 -2.568 0.000) 4.674 9.201 ( 3.906 2.568 0.000) 4.674 10.128 ( -12.598 -3.677 0.000) 13.123 10.128 ( -12.598 3.677 0.000) 13.123 10.400 ( 12.514 -1.035 0.000) 12.556 10.400 ( 12.514 1.035 0.000) 12.556 10.513 ( 14.947 -2.743 0.000) 15.197 10.513 ( 14.947 2.743 0.000) 15.197 10.997 ( 6.673 -3.694 0.000) 7.627 10.997 ( 6.673 3.694 0.000) 7.627 11.870 ( -4.769 -3.169 0.000) 5.726 11.870 ( -4.769 3.169 0.000) 5.726 12.130 ( -0.411 -2.334 0.000) 2.370 12.130 ( -0.411 2.334 0.000) 2.370 12.266 ( -6.173 -2.571 0.000) 6.687 12.266 ( -6.173 2.571 0.000) 6.687 12.512 ( 13.448 -13.779 0.000) 19.254 12.512 ( 13.448 13.779 0.000) 19.254 12.941 ( -6.144 -1.073 0.000) 6.237 12.941 ( -6.144 1.073 0.000) 6.237 13.531 ( 3.922 -8.950 0.000) 9.772 13.531 ( 3.922 8.950 0.000) 9.772 14.312 ( -8.074 -4.730 0.000) 9.357 14.312 ( -8.074 4.730 0.000) 9.357 14.796 ( 0.997 -10.859 0.000) 10.905 14.796 ( 0.997 10.859 0.000) 10.905 15.237 ( 4.073 -1.232 0.000) 4.255 15.237 ( 4.073 1.232 0.000) 4.255 15.492 ( -7.387 -9.534 0.000) 12.061 15.492 ( -7.387 9.534 0.000) 12.061 15.599 ( -9.340 -1.509 0.000) 9.461 15.599 ( -9.340 1.509 0.000) 9.461 16.092 ( -0.495 -0.850 0.000) 0.984 16.092 ( -0.495 0.850 0.000) 0.984 16.107 ( -5.147 -3.908 0.000) 6.463 16.107 ( -5.147 3.908 0.000) 6.463 ======================= Grid point 24 (14/45) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 10.495 -9.455 0.000) 14.126 1.289 ( 10.495 9.455 0.000) 14.126 1.350 ( 6.864 -9.662 0.000) 11.852 1.350 ( 6.864 9.662 0.000) 11.852 1.586 ( 3.705 -2.276 0.000) 4.348 1.586 ( 3.705 2.276 0.000) 4.348 1.759 ( -4.484 -1.893 0.000) 4.868 1.759 ( -4.484 1.893 0.000) 4.868 1.815 ( 3.323 -0.746 0.000) 3.406 1.815 ( 3.323 0.746 0.000) 3.406 1.852 ( 5.636 -0.617 0.000) 5.670 1.852 ( 5.636 0.617 0.000) 5.670 1.988 ( 2.795 -0.834 0.000) 2.917 1.988 ( 2.795 0.834 0.000) 2.917 1.989 ( 4.699 -3.378 0.000) 5.787 1.989 ( 4.699 3.378 0.000) 5.787 2.197 ( -2.096 -0.983 0.000) 2.315 2.197 ( -2.096 0.983 0.000) 2.315 2.229 ( -1.166 -3.107 0.000) 3.319 2.229 ( -1.166 3.107 0.000) 3.319 2.332 ( 5.455 -2.341 0.000) 5.936 2.332 ( 5.455 2.341 0.000) 5.936 2.402 ( 8.018 -6.809 0.000) 10.519 2.402 ( 8.018 6.809 0.000) 10.519 2.546 ( -3.124 -8.790 0.000) 9.329 2.546 ( -3.124 8.790 0.000) 9.329 2.585 ( -4.188 -3.634 0.000) 5.545 2.585 ( -4.188 3.634 0.000) 5.545 2.885 ( 6.710 -5.045 0.000) 8.395 2.885 ( 6.710 5.045 0.000) 8.395 2.949 ( -3.107 -6.276 0.000) 7.003 2.949 ( -3.107 6.276 0.000) 7.003 3.224 ( 2.934 -3.548 0.000) 4.604 3.224 ( 2.934 3.548 0.000) 4.604 3.308 ( -2.519 -1.532 0.000) 2.948 3.308 ( -2.519 1.532 0.000) 2.948 3.506 ( 0.245 -2.571 0.000) 2.582 3.506 ( 0.245 2.571 0.000) 2.582 3.570 ( 0.807 -2.609 0.000) 2.731 3.570 ( 0.807 2.609 0.000) 2.731 3.748 ( -2.879 -4.935 0.000) 5.713 3.748 ( -2.879 4.935 0.000) 5.713 3.852 ( -5.835 -6.184 0.000) 8.502 3.852 ( -5.835 6.184 0.000) 8.502 4.201 ( 5.088 -3.920 0.000) 6.423 4.201 ( 5.088 3.920 0.000) 6.423 4.274 ( 0.786 -2.043 0.000) 2.189 4.274 ( 0.786 2.043 0.000) 2.189 4.329 ( 0.299 -3.162 0.000) 3.176 4.329 ( 0.299 3.162 0.000) 3.176 4.506 ( -1.555 -3.813 0.000) 4.118 4.506 ( -1.555 3.813 0.000) 4.118 4.508 ( 1.037 -4.030 0.000) 4.162 4.508 ( 1.037 4.030 0.000) 4.162 4.594 ( -2.893 -5.182 0.000) 5.935 4.594 ( -2.893 5.182 0.000) 5.935 4.762 ( 0.199 -2.821 0.000) 2.828 4.762 ( 0.199 2.821 0.000) 2.828 4.766 ( 5.893 -7.495 0.000) 9.535 4.766 ( 5.893 7.495 0.000) 9.535 4.966 ( 2.049 -4.523 0.000) 4.965 4.966 ( 2.049 4.523 0.000) 4.965 5.069 ( -0.717 -3.911 0.000) 3.976 5.069 ( -0.717 3.911 0.000) 3.976 5.149 ( 0.158 -3.932 0.000) 3.936 5.149 ( 0.158 3.932 0.000) 3.936 5.401 ( 3.485 -3.733 0.000) 5.107 5.401 ( 3.485 3.733 0.000) 5.107 5.475 ( 7.140 -5.716 0.000) 9.146 5.475 ( 7.140 5.716 0.000) 9.147 5.672 ( 0.573 -3.315 0.000) 3.364 5.672 ( 0.573 3.315 0.000) 3.364 5.734 ( 3.341 -1.857 0.000) 3.823 5.734 ( 3.341 1.857 0.000) 3.823 5.797 ( 0.831 -7.529 0.000) 7.574 5.797 ( 0.831 7.529 0.000) 7.574 5.874 ( 4.667 -4.466 0.000) 6.460 5.874 ( 4.667 4.466 0.000) 6.460 6.005 ( 5.789 -1.351 0.000) 5.945 6.005 ( 5.789 1.351 0.000) 5.945 6.048 ( -3.489 -11.347 0.000) 11.872 6.048 ( -3.489 11.347 0.000) 11.872 6.305 ( -4.190 -4.301 0.000) 6.005 6.305 ( -4.190 4.301 0.000) 6.005 6.610 ( 5.629 -2.642 0.000) 6.218 6.610 ( 5.629 2.642 0.000) 6.218 6.640 ( 2.822 -3.747 0.000) 4.691 6.640 ( 2.822 3.747 0.000) 4.691 6.867 ( 6.881 -7.591 0.000) 10.246 6.867 ( 6.881 7.591 0.000) 10.246 7.112 ( -2.346 -8.128 0.000) 8.460 7.112 ( -2.346 8.128 0.000) 8.460 7.566 ( 7.246 -18.329 0.000) 19.709 7.566 ( 7.246 18.329 0.000) 19.709 7.573 ( -4.949 -5.390 0.000) 7.317 7.573 ( -4.949 5.390 0.000) 7.317 7.999 ( 2.096 -7.105 0.000) 7.408 7.999 ( 2.096 7.105 0.000) 7.408 8.317 ( 2.684 -2.679 0.000) 3.792 8.317 ( 2.684 2.679 0.000) 3.792 8.363 ( 4.694 -6.329 0.000) 7.880 8.363 ( 4.694 6.329 0.000) 7.880 8.504 ( 4.499 -5.924 0.000) 7.438 8.504 ( 4.499 5.924 0.000) 7.438 8.682 ( 8.837 -1.621 0.000) 8.984 8.682 ( 8.837 1.621 0.000) 8.984 8.802 ( -4.319 -3.560 0.000) 5.597 8.802 ( -4.319 3.560 0.000) 5.597 9.349 ( 11.261 -6.431 0.000) 12.968 9.349 ( 11.261 6.431 0.000) 12.968 9.963 ( -6.033 -2.949 0.000) 6.715 9.963 ( -6.033 2.949 0.000) 6.715 10.656 ( 13.218 -0.931 0.000) 13.250 10.656 ( 13.218 0.931 0.000) 13.250 10.789 ( 12.615 -2.963 0.000) 12.958 10.789 ( 12.615 2.963 0.000) 12.958 11.145 ( 8.368 -4.386 0.000) 9.448 11.145 ( 8.368 4.386 0.000) 9.448 11.740 ( -8.565 -4.069 0.000) 9.482 11.740 ( -8.565 4.069 0.000) 9.482 12.082 ( -3.978 -2.573 0.000) 4.737 12.082 ( -3.978 2.573 0.000) 4.737 12.150 ( -5.508 -2.223 0.000) 5.939 12.150 ( -5.508 2.223 0.000) 5.939 12.668 ( 3.805 -7.957 0.000) 8.821 12.668 ( 3.805 7.957 0.000) 8.821 12.819 ( -5.893 -1.131 0.000) 6.001 12.819 ( -5.893 1.131 0.000) 6.001 13.619 ( 5.445 -9.061 0.000) 10.571 13.619 ( 5.445 9.061 0.000) 10.571 14.132 ( -10.165 -0.803 0.000) 10.197 14.132 ( -10.165 0.803 0.000) 10.197 14.855 ( 5.193 -2.889 0.000) 5.942 14.855 ( 5.193 2.889 0.000) 5.942 15.301 ( 1.459 -0.414 0.000) 1.517 15.301 ( 1.459 0.414 0.000) 1.517 15.403 ( -2.140 -6.241 0.000) 6.598 15.403 ( -2.140 6.241 0.000) 6.598 15.407 ( -9.130 -1.536 0.000) 9.258 15.407 ( -9.130 1.536 0.000) 9.258 16.024 ( -2.971 -3.789 0.000) 4.815 16.024 ( -2.971 3.789 0.000) 4.815 16.070 ( -1.735 -0.714 0.000) 1.876 16.070 ( -1.735 0.714 0.000) 1.876 ======================= Grid point 26 (15/45) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 6.654 -5.199 0.000) 8.444 1.465 ( 6.654 5.199 0.000) 8.444 1.477 ( 5.318 -5.514 0.000) 7.660 1.477 ( 5.318 5.514 0.000) 7.660 1.610 ( -0.664 -3.822 0.000) 3.879 1.610 ( -0.664 3.822 0.000) 3.879 1.653 ( -5.440 -4.107 0.000) 6.816 1.653 ( -5.440 4.107 0.000) 6.816 1.876 ( 2.290 -1.836 0.000) 2.935 1.876 ( 2.290 1.836 0.000) 2.935 1.888 ( 0.542 -1.393 0.000) 1.494 1.888 ( 0.542 1.393 0.000) 1.494 2.044 ( 2.596 -0.637 0.000) 2.673 2.044 ( 2.596 0.637 0.000) 2.673 2.074 ( 1.292 -0.880 0.000) 1.563 2.074 ( 1.292 0.880 0.000) 1.563 2.153 ( -1.204 -2.907 0.000) 3.147 2.153 ( -1.204 2.907 0.000) 3.147 2.166 ( -3.004 -5.578 0.000) 6.336 2.166 ( -3.004 5.578 0.000) 6.336 2.448 ( -0.228 -2.417 0.000) 2.427 2.448 ( -0.228 2.417 0.000) 2.427 2.469 ( 4.749 -6.637 0.000) 8.162 2.469 ( 4.749 6.637 0.000) 8.162 2.486 ( 0.038 -7.278 0.000) 7.278 2.486 ( 0.038 7.278 0.000) 7.278 2.588 ( -1.857 -3.210 0.000) 3.708 2.588 ( -1.857 3.210 0.000) 3.708 2.963 ( 4.636 -2.398 0.000) 5.220 2.963 ( 4.636 2.398 0.000) 5.220 2.993 ( 3.101 -3.209 0.000) 4.462 2.993 ( 3.101 3.209 0.000) 4.462 3.261 ( 0.092 -3.624 0.000) 3.625 3.261 ( 0.092 3.624 0.000) 3.625 3.263 ( -1.484 -1.469 0.000) 2.088 3.263 ( -1.484 1.469 0.000) 2.088 3.515 ( 1.095 -2.845 0.000) 3.048 3.515 ( 1.095 2.845 0.000) 3.048 3.555 ( -2.245 -3.878 0.000) 4.481 3.555 ( -2.245 3.878 0.000) 4.481 3.716 ( -0.100 -8.698 0.000) 8.699 3.716 ( -0.100 8.698 0.000) 8.699 3.750 ( -3.767 -9.576 0.000) 10.290 3.750 ( -3.767 9.576 0.000) 10.290 4.235 ( 0.308 -1.823 0.000) 1.848 4.235 ( 0.308 1.823 0.000) 1.848 4.259 ( -1.791 -2.182 0.000) 2.822 4.259 ( -1.791 2.182 0.000) 2.822 4.406 ( 6.062 -1.652 0.000) 6.283 4.406 ( 6.062 1.652 0.000) 6.283 4.488 ( -1.438 -4.329 0.000) 4.562 4.488 ( -1.438 4.329 0.000) 4.562 4.532 ( 0.503 -0.403 0.000) 0.644 4.532 ( 0.503 0.403 0.000) 0.644 4.542 ( -1.866 -4.584 0.000) 4.949 4.542 ( -1.866 4.584 0.000) 4.949 4.772 ( 0.618 -4.512 0.000) 4.554 4.772 ( 0.618 4.512 0.000) 4.554 4.785 ( -0.959 -10.081 0.000) 10.126 4.785 ( -0.959 10.081 0.000) 10.126 5.032 ( 0.246 -6.979 0.000) 6.983 5.032 ( 0.246 6.979 0.000) 6.983 5.036 ( -1.511 -6.986 0.000) 7.147 5.036 ( -1.511 6.986 0.000) 7.147 5.203 ( 8.718 -1.682 0.000) 8.879 5.203 ( 8.718 1.682 0.000) 8.879 5.381 ( -6.421 -3.186 0.000) 7.168 5.381 ( -6.421 3.186 0.000) 7.168 5.590 ( 4.208 -6.491 0.000) 7.736 5.590 ( 4.208 6.491 0.000) 7.736 5.647 ( -2.398 -9.330 0.000) 9.633 5.647 ( -2.398 9.330 0.000) 9.633 5.793 ( 2.372 -2.114 0.000) 3.178 5.793 ( 2.372 2.114 0.000) 3.178 5.806 ( 0.779 -4.767 0.000) 4.831 5.806 ( 0.779 4.767 0.000) 4.831 5.942 ( 2.677 -8.361 0.000) 8.779 5.942 ( 2.677 8.361 0.000) 8.779 5.994 ( -2.697 -7.826 0.000) 8.277 5.994 ( -2.697 7.826 0.000) 8.277 6.125 ( 5.543 -2.887 0.000) 6.250 6.125 ( 5.543 2.887 0.000) 6.250 6.220 ( -4.475 -3.063 0.000) 5.423 6.220 ( -4.475 3.063 0.000) 5.423 6.700 ( 2.739 -5.094 0.000) 5.784 6.700 ( 2.739 5.094 0.000) 5.784 6.701 ( 2.336 -5.319 0.000) 5.810 6.701 ( 2.336 5.319 0.000) 5.810 6.998 ( 6.284 -3.867 0.000) 7.378 6.998 ( 6.284 3.867 0.000) 7.378 7.082 ( -1.952 -4.541 0.000) 4.943 7.082 ( -1.952 4.541 0.000) 4.943 7.500 ( -1.328 -5.168 0.000) 5.336 7.500 ( -1.328 5.168 0.000) 5.336 7.549 ( -5.202 -13.060 0.000) 14.058 7.549 ( -5.202 13.060 0.000) 14.058 8.154 ( 11.774 -10.588 0.000) 15.835 8.154 ( 11.774 10.588 0.000) 15.835 8.348 ( -6.209 -8.377 0.000) 10.428 8.348 ( -6.209 8.377 0.000) 10.428 8.399 ( 4.957 -6.094 0.000) 7.855 8.399 ( 4.957 6.094 0.000) 7.855 8.496 ( -4.561 -12.422 0.000) 13.233 8.496 ( -4.561 12.422 0.000) 13.233 8.783 ( 1.692 -3.919 0.000) 4.269 8.783 ( 1.692 3.919 0.000) 4.269 8.791 ( 2.118 -1.967 0.000) 2.891 8.791 ( 2.118 1.967 0.000) 2.891 9.604 ( 13.545 -8.055 0.000) 15.759 9.604 ( 13.545 8.055 0.000) 15.759 9.829 ( -8.966 -6.089 0.000) 10.838 9.829 ( -8.966 6.089 0.000) 10.838 10.882 ( 8.948 -0.995 0.000) 9.004 10.882 ( 8.948 0.995 0.000) 9.004 10.954 ( 2.705 -2.765 0.000) 3.868 10.954 ( 2.705 2.765 0.000) 3.868 11.324 ( 10.449 -4.581 0.000) 11.409 11.324 ( 10.449 4.581 0.000) 11.409 11.544 ( -11.320 -4.389 0.000) 12.141 11.544 ( -11.320 4.389 0.000) 12.141 12.021 ( -1.043 -1.316 0.000) 1.680 12.021 ( -1.043 1.316 0.000) 1.680 12.055 ( -3.976 -0.896 0.000) 4.075 12.055 ( -3.976 0.896 0.000) 4.075 12.702 ( 0.751 -1.782 0.000) 1.934 12.702 ( 0.751 1.782 0.000) 1.934 12.731 ( -2.848 -0.800 0.000) 2.958 12.731 ( -2.848 0.800 0.000) 2.958 13.751 ( 8.187 -6.815 0.000) 10.652 13.751 ( 8.187 6.815 0.000) 10.652 13.931 ( -10.090 -3.330 0.000) 10.626 13.931 ( -10.090 3.330 0.000) 10.626 14.991 ( 8.585 -2.418 0.000) 8.919 14.991 ( 8.585 2.418 0.000) 8.919 15.177 ( -10.099 -3.254 0.000) 10.610 15.177 ( -10.099 3.254 0.000) 10.610 15.368 ( 1.179 -2.953 0.000) 3.179 15.368 ( 1.179 2.953 0.000) 3.179 15.384 ( -0.495 -4.137 0.000) 4.167 15.384 ( -0.495 4.137 0.000) 4.167 15.999 ( 0.393 -2.660 0.000) 2.689 15.999 ( 0.393 2.660 0.000) 2.689 16.029 ( -2.239 -1.295 0.000) 2.586 16.029 ( -2.239 1.295 0.000) 2.586 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 0.000 0.000 18.281) 18.281 0.423 ( 0.000 0.000 19.342) 19.342 0.485 ( 0.000 0.000 23.396) 23.396 1.142 ( 0.000 0.000 -12.778) 12.778 1.198 ( 0.000 0.000 1.052) 1.052 1.283 ( 0.000 0.000 -17.072) 17.072 1.374 ( 0.000 0.000 -0.767) 0.767 1.403 ( 0.000 0.000 -1.210) 1.210 1.522 ( 0.000 0.000 -5.435) 5.435 1.570 ( 0.000 0.000 3.382) 3.382 1.571 ( 0.000 0.000 -15.748) 15.748 1.765 ( 0.000 0.000 3.057) 3.057 1.852 ( 0.000 0.000 3.507) 3.507 1.910 ( 0.000 0.000 4.214) 4.214 2.018 ( 0.000 0.000 1.337) 1.337 2.068 ( 0.000 0.000 -9.411) 9.411 2.124 ( 0.000 0.000 11.613) 11.613 2.163 ( 0.000 0.000 7.381) 7.381 2.221 ( 0.000 0.000 -2.901) 2.901 2.299 ( 0.000 0.000 4.864) 4.864 2.334 ( 0.000 0.000 8.250) 8.250 2.404 ( 0.000 0.000 -6.492) 6.492 2.423 ( 0.000 0.000 -0.980) 0.980 2.455 ( 0.000 0.000 -4.376) 4.376 2.552 ( 0.000 0.000 -0.430) 0.430 2.615 ( 0.000 0.000 -3.754) 3.754 2.638 ( 0.000 0.000 10.924) 10.924 2.752 ( 0.000 0.000 8.322) 8.322 2.808 ( 0.000 0.000 4.049) 4.049 2.897 ( 0.000 0.000 -5.314) 5.314 2.977 ( 0.000 0.000 -0.268) 0.268 3.050 ( 0.000 0.000 -1.220) 1.220 3.088 ( 0.000 0.000 -4.830) 4.830 3.315 ( 0.000 0.000 -15.861) 15.861 3.379 ( 0.000 0.000 -1.016) 1.016 3.395 ( 0.000 0.000 0.582) 0.582 3.489 ( 0.000 0.000 8.204) 8.204 3.623 ( 0.000 0.000 0.551) 0.551 3.677 ( 0.000 0.000 -0.703) 0.703 3.705 ( 0.000 0.000 2.036) 2.036 3.733 ( 0.000 0.000 5.359) 5.359 3.771 ( 0.000 0.000 -1.944) 1.944 3.864 ( 0.000 0.000 2.029) 2.029 3.980 ( 0.000 0.000 3.965) 3.965 3.994 ( 0.000 0.000 4.754) 4.754 4.058 ( 0.000 0.000 -7.691) 7.691 4.161 ( 0.000 0.000 -3.290) 3.290 4.162 ( 0.000 0.000 3.121) 3.121 4.170 ( 0.000 0.000 -4.123) 4.123 4.242 ( 0.000 0.000 0.081) 0.081 4.358 ( 0.000 0.000 1.996) 1.996 4.373 ( 0.000 0.000 0.163) 0.163 4.452 ( 0.000 0.000 0.583) 0.583 4.469 ( 0.000 0.000 2.358) 2.358 4.518 ( 0.000 0.000 -3.990) 3.990 4.546 ( 0.000 0.000 2.018) 2.018 4.618 ( 0.000 0.000 -5.492) 5.492 4.622 ( 0.000 0.000 1.038) 1.038 4.684 ( 0.000 0.000 -0.159) 0.159 4.779 ( 0.000 0.000 6.112) 6.112 4.787 ( 0.000 0.000 3.264) 3.264 4.848 ( 0.000 0.000 -1.699) 1.699 4.849 ( 0.000 0.000 5.823) 5.823 4.915 ( 0.000 0.000 0.211) 0.211 5.029 ( 0.000 0.000 -2.127) 2.127 5.039 ( 0.000 0.000 -4.219) 4.219 5.042 ( 0.000 0.000 0.626) 0.626 5.047 ( 0.000 0.000 3.025) 3.025 5.237 ( 0.000 0.000 3.616) 3.616 5.345 ( 0.000 0.000 -1.886) 1.886 5.349 ( 0.000 0.000 5.833) 5.833 5.417 ( 0.000 0.000 -3.069) 3.069 5.436 ( 0.000 0.000 -1.570) 1.570 5.529 ( 0.000 0.000 7.287) 7.287 5.679 ( 0.000 0.000 7.756) 7.756 5.701 ( 0.000 0.000 -0.376) 0.376 5.733 ( 0.000 0.000 0.997) 0.997 5.749 ( 0.000 0.000 -8.456) 8.456 5.845 ( 0.000 0.000 -4.980) 4.980 6.184 ( 0.000 0.000 7.571) 7.571 6.228 ( 0.000 0.000 2.532) 2.532 6.256 ( 0.000 0.000 -5.754) 5.754 6.312 ( 0.000 0.000 10.699) 10.699 6.391 ( 0.000 0.000 8.005) 8.005 6.393 ( 0.000 0.000 -4.145) 4.145 6.495 ( 0.000 0.000 2.492) 2.492 6.635 ( 0.000 0.000 -0.440) 0.440 6.648 ( 0.000 0.000 -2.515) 2.515 6.656 ( 0.000 0.000 -7.299) 7.299 6.722 ( 0.000 0.000 -3.213) 3.213 6.789 ( 0.000 0.000 -2.632) 2.632 6.957 ( 0.000 0.000 -8.800) 8.800 7.557 ( 0.000 0.000 -1.276) 1.276 7.691 ( 0.000 0.000 -5.367) 5.367 7.754 ( 0.000 0.000 7.952) 7.952 7.771 ( 0.000 0.000 -0.830) 0.830 7.888 ( 0.000 0.000 0.216) 0.216 7.919 ( 0.000 0.000 2.257) 2.257 8.020 ( 0.000 0.000 2.334) 2.334 8.071 ( 0.000 0.000 12.864) 12.864 8.083 ( 0.000 0.000 0.312) 0.312 8.123 ( 0.000 0.000 2.401) 2.401 8.230 ( 0.000 0.000 -6.853) 6.853 8.291 ( 0.000 0.000 4.247) 4.247 8.486 ( 0.000 0.000 3.124) 3.124 8.548 ( 0.000 0.000 0.306) 0.306 8.558 ( 0.000 0.000 1.135) 1.135 8.837 ( 0.000 0.000 -7.177) 7.177 9.012 ( 0.000 0.000 0.461) 0.461 9.061 ( 0.000 0.000 -1.190) 1.190 9.452 ( 0.000 0.000 -3.672) 3.672 9.760 ( 0.000 0.000 -20.833) 20.833 10.234 ( 0.000 0.000 5.781) 5.781 10.340 ( 0.000 0.000 14.604) 14.604 10.598 ( 0.000 0.000 -8.609) 8.609 10.936 ( 0.000 0.000 2.605) 2.605 11.026 ( 0.000 0.000 18.841) 18.841 11.395 ( 0.000 0.000 -15.212) 15.212 11.404 ( 0.000 0.000 -7.734) 7.734 11.757 ( 0.000 0.000 -17.426) 17.426 11.835 ( 0.000 0.000 -10.258) 10.258 12.250 ( 0.000 0.000 7.950) 7.950 12.359 ( 0.000 0.000 20.794) 20.794 12.578 ( 0.000 0.000 15.000) 15.000 12.762 ( 0.000 0.000 23.440) 23.440 12.835 ( 0.000 0.000 -11.308) 11.308 13.050 ( 0.000 0.000 -5.233) 5.233 13.137 ( 0.000 0.000 -11.585) 11.585 13.540 ( 0.000 0.000 -8.352) 8.352 13.856 ( 0.000 0.000 -15.839) 15.839 14.019 ( 0.000 0.000 0.794) 0.794 14.156 ( 0.000 0.000 -5.315) 5.315 14.774 ( 0.000 0.000 20.450) 20.450 14.966 ( 0.000 0.000 9.928) 9.928 15.136 ( 0.000 0.000 1.423) 1.423 15.459 ( 0.000 0.000 -10.286) 10.286 15.628 ( 0.000 0.000 0.628) 0.628 15.644 ( 0.000 0.000 0.002) 0.002 15.728 ( 0.000 0.000 -3.208) 3.208 15.735 ( 0.000 0.000 -4.557) 4.557 15.958 ( 0.000 0.000 7.696) 7.696 16.135 ( 0.000 0.000 3.483) 3.483 16.204 ( 0.000 0.000 -2.757) 2.757 16.346 ( 0.000 0.000 -4.840) 4.840 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 7.014 0.000 15.916) 17.393 0.575 ( 10.845 0.000 17.566) 20.645 0.743 ( 24.939 0.000 8.592) 26.378 1.257 ( 10.821 0.000 -8.635) 13.844 1.305 ( 2.612 0.000 -15.894) 16.107 1.336 ( 11.909 0.000 -0.928) 11.946 1.424 ( 1.992 0.000 0.012) 1.992 1.455 ( 7.276 0.000 -0.838) 7.324 1.559 ( -0.404 0.000 -15.071) 15.077 1.569 ( 5.354 0.000 -5.244) 7.495 1.636 ( 6.993 0.000 0.834) 7.042 1.813 ( 3.555 0.000 3.092) 4.711 1.862 ( 0.702 0.000 4.608) 4.661 1.931 ( 0.973 0.000 3.858) 3.979 2.041 ( 1.929 0.000 3.134) 3.680 2.063 ( -0.158 0.000 -7.606) 7.608 2.126 ( 2.136 0.000 9.102) 9.349 2.132 ( -2.536 0.000 4.269) 4.965 2.242 ( -1.973 0.000 0.929) 2.181 2.291 ( -1.019 0.000 5.561) 5.654 2.295 ( -2.651 0.000 -0.032) 2.651 2.324 ( -0.397 0.000 7.473) 7.484 2.363 ( -4.133 0.000 -6.465) 7.673 2.534 ( 1.633 0.000 -2.154) 2.703 2.572 ( -0.513 0.000 2.684) 2.733 2.621 ( 4.013 0.000 -2.386) 4.669 2.681 ( 2.806 0.000 8.207) 8.674 2.779 ( -8.530 0.000 -1.200) 8.614 2.795 ( 3.979 0.000 4.649) 6.119 2.900 ( 6.277 0.000 -1.134) 6.379 2.916 ( -5.128 0.000 -0.280) 5.136 3.039 ( -2.060 0.000 -4.885) 5.302 3.061 ( -3.276 0.000 -3.303) 4.652 3.224 ( -6.812 0.000 -12.032) 13.826 3.372 ( -0.236 0.000 4.379) 4.386 3.408 ( 0.808 0.000 -0.470) 0.935 3.479 ( 0.347 0.000 3.316) 3.334 3.567 ( -6.531 0.000 -0.599) 6.558 3.616 ( -0.856 0.000 -1.027) 1.336 3.713 ( 3.266 0.000 4.611) 5.651 3.738 ( -4.554 0.000 1.014) 4.666 3.832 ( -2.830 0.000 3.566) 4.552 3.864 ( 5.246 0.000 3.602) 6.363 3.971 ( 1.901 0.000 0.258) 1.919 4.015 ( -2.830 0.000 -6.448) 7.042 4.074 ( 6.372 0.000 5.394) 8.349 4.148 ( -0.583 0.000 -5.031) 5.065 4.212 ( 4.657 0.000 2.117) 5.116 4.230 ( 1.418 0.000 -0.328) 1.455 4.283 ( 4.820 0.000 -0.708) 4.872 4.354 ( 1.297 0.000 1.389) 1.901 4.405 ( 3.413 0.000 1.740) 3.831 4.422 ( -0.059 0.000 -0.650) 0.653 4.486 ( 2.367 0.000 -4.544) 5.123 4.532 ( 3.895 0.000 5.476) 6.720 4.604 ( -1.711 0.000 -1.689) 2.404 4.631 ( -1.157 0.000 0.117) 1.163 4.669 ( 1.686 0.000 -1.823) 2.483 4.717 ( 4.892 0.000 -3.448) 5.985 4.826 ( 3.282 0.000 6.504) 7.285 4.830 ( 2.635 0.000 5.978) 6.533 4.855 ( 1.081 0.000 -2.872) 3.069 4.863 ( 1.264 0.000 5.348) 5.496 4.983 ( 7.126 0.000 0.637) 7.155 5.061 ( 0.541 0.000 -1.717) 1.800 5.077 ( 5.027 0.000 -2.850) 5.779 5.114 ( 5.803 0.000 0.014) 5.803 5.129 ( 7.400 0.000 1.049) 7.474 5.260 ( 1.932 0.000 1.188) 2.268 5.329 ( -1.425 0.000 4.255) 4.487 5.378 ( 5.210 0.000 5.585) 7.638 5.485 ( 6.457 0.000 -4.229) 7.719 5.502 ( 6.703 0.000 -0.596) 6.729 5.541 ( 2.880 0.000 3.707) 4.694 5.664 ( -0.514 0.000 3.713) 3.748 5.729 ( 2.179 0.000 7.456) 7.768 5.739 ( 0.408 0.000 0.506) 0.650 5.809 ( 5.057 0.000 -6.091) 7.917 5.876 ( 3.540 0.000 -1.026) 3.686 6.051 ( -7.496 0.000 6.514) 9.931 6.102 ( -2.663 0.000 2.966) 3.986 6.229 ( -1.488 0.000 6.212) 6.388 6.253 ( -10.561 0.000 -8.571) 13.601 6.323 ( -5.159 0.000 10.242) 11.468 6.381 ( 6.614 0.000 -1.824) 6.860 6.432 ( -2.028 0.000 -3.018) 3.636 6.626 ( -0.364 0.000 -7.034) 7.043 6.675 ( 7.355 0.000 8.345) 11.123 6.804 ( 3.905 0.000 -3.940) 5.547 6.831 ( 5.701 0.000 -2.478) 6.216 7.037 ( 8.001 0.000 -5.248) 9.569 7.236 ( 22.093 0.000 -10.370) 24.405 7.518 ( -4.236 0.000 -2.029) 4.697 7.604 ( -1.684 0.000 -4.365) 4.679 7.701 ( -7.317 0.000 8.042) 10.873 7.754 ( 0.374 0.000 12.818) 12.824 7.916 ( 5.316 0.000 0.064) 5.316 7.953 ( -3.969 0.000 4.845) 6.263 8.038 ( 6.709 0.000 -3.001) 7.350 8.142 ( 6.156 0.000 -1.827) 6.421 8.146 ( 3.663 0.000 4.014) 5.435 8.201 ( -3.807 0.000 -3.448) 5.136 8.230 ( 7.341 0.000 -1.367) 7.467 8.260 ( -1.026 0.000 -0.366) 1.089 8.498 ( 1.424 0.000 2.416) 2.805 8.516 ( 0.559 0.000 4.775) 4.808 8.576 ( 3.066 0.000 0.838) 3.179 8.840 ( 0.603 0.000 -4.305) 4.347 9.076 ( 6.488 0.000 -0.579) 6.514 9.300 ( 17.276 0.000 -16.277) 23.736 9.421 ( -2.970 0.000 -3.025) 4.239 9.776 ( 1.306 0.000 -21.413) 21.453 10.300 ( 6.847 0.000 5.855) 9.009 10.448 ( 10.374 0.000 13.745) 17.220 10.630 ( 3.189 0.000 -6.955) 7.651 10.877 ( -9.899 0.000 18.937) 21.368 11.003 ( 6.537 0.000 3.560) 7.444 11.114 ( -19.160 0.000 12.939) 23.120 11.511 ( 6.931 0.000 -18.339) 19.605 11.743 ( -2.089 0.000 -19.127) 19.241 11.858 ( 2.517 0.000 -7.517) 7.928 12.162 ( -5.815 0.000 14.258) 15.398 12.355 ( -0.872 0.000 17.832) 17.853 12.577 ( -0.703 0.000 13.004) 13.023 12.749 ( -1.280 0.000 20.994) 21.033 12.786 ( -4.251 0.000 -14.264) 14.884 13.028 ( -2.352 0.000 -2.922) 3.751 13.084 ( -5.670 0.000 -11.443) 12.771 13.458 ( -6.123 0.000 -7.386) 9.594 13.735 ( -1.245 0.000 -7.909) 8.007 14.144 ( 3.943 0.000 -2.712) 4.785 14.232 ( 5.864 0.000 -5.954) 8.357 14.753 ( -1.626 0.000 19.660) 19.727 14.877 ( -7.598 0.000 10.134) 12.666 15.188 ( 3.961 0.000 0.568) 4.002 15.268 ( -8.976 0.000 3.001) 9.464 15.491 ( -2.289 0.000 -0.755) 2.410 15.601 ( -4.050 0.000 0.162) 4.053 15.696 ( -3.599 0.000 -2.132) 4.183 15.821 ( -0.331 0.000 6.075) 6.084 16.063 ( 1.755 0.000 -9.961) 10.115 16.157 ( -4.046 0.000 -3.037) 5.059 16.159 ( 1.086 0.000 -2.869) 3.068 16.291 ( -5.222 0.000 -3.575) 6.329 ======================= Grid point 47 (18/45) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 14.363 0.000 10.224) 17.630 0.823 ( 13.800 0.000 11.109) 17.716 1.198 ( 18.410 0.000 -3.197) 18.686 1.407 ( 8.038 0.000 -7.952) 11.306 1.445 ( 4.353 0.000 -2.811) 5.182 1.495 ( 6.652 0.000 -2.130) 6.985 1.558 ( 6.568 0.000 -13.532) 15.041 1.585 ( 5.583 0.000 -2.158) 5.986 1.618 ( 10.315 0.000 0.138) 10.316 1.754 ( 12.267 0.000 -4.038) 12.915 1.815 ( 6.082 0.000 2.102) 6.435 1.862 ( 1.158 0.000 4.344) 4.496 1.886 ( 5.217 0.000 3.335) 6.192 1.942 ( 0.930 0.000 -0.367) 1.000 2.065 ( 0.275 0.000 4.784) 4.792 2.085 ( 3.336 0.000 -2.255) 4.027 2.103 ( 0.291 0.000 -1.227) 1.261 2.161 ( -0.209 0.000 3.749) 3.755 2.193 ( 0.030 0.000 -3.421) 3.422 2.225 ( -5.313 0.000 1.488) 5.517 2.295 ( -0.370 0.000 7.796) 7.805 2.299 ( -1.804 0.000 0.555) 1.887 2.364 ( 4.772 0.000 7.562) 8.942 2.532 ( -1.019 0.000 -0.659) 1.214 2.537 ( -6.971 0.000 4.384) 8.235 2.578 ( -3.473 0.000 4.169) 5.426 2.711 ( 1.428 0.000 10.124) 10.224 2.777 ( 6.007 0.000 -5.827) 8.369 2.801 ( -6.278 0.000 -2.260) 6.672 2.899 ( 5.807 0.000 -2.452) 6.304 2.903 ( -7.390 0.000 -1.726) 7.589 2.998 ( 5.240 0.000 -7.860) 9.446 3.086 ( -7.267 0.000 -9.807) 12.206 3.106 ( 4.063 0.000 -2.890) 4.986 3.356 ( -1.483 0.000 3.621) 3.913 3.361 ( -3.890 0.000 -0.608) 3.937 3.492 ( 0.136 0.000 0.600) 0.615 3.505 ( -1.208 0.000 3.757) 3.946 3.629 ( 2.117 0.000 1.454) 2.569 3.634 ( -5.504 0.000 3.567) 6.559 3.752 ( -5.170 0.000 4.265) 6.702 3.796 ( 4.554 0.000 4.941) 6.720 3.887 ( 0.358 0.000 -4.104) 4.120 3.947 ( -5.794 0.000 -3.066) 6.556 4.082 ( 7.046 0.000 0.369) 7.055 4.134 ( 1.157 0.000 -2.969) 3.186 4.177 ( 3.967 0.000 4.849) 6.265 4.222 ( -1.225 0.000 2.324) 2.627 4.310 ( 4.147 0.000 -0.402) 4.166 4.334 ( 0.160 0.000 -1.506) 1.514 4.398 ( 0.191 0.000 -0.665) 0.691 4.422 ( 3.949 0.000 0.671) 4.005 4.524 ( -0.166 0.000 3.320) 3.324 4.526 ( -0.242 0.000 2.185) 2.198 4.573 ( -2.086 0.000 0.195) 2.095 4.601 ( 4.372 0.000 1.914) 4.772 4.676 ( 2.675 0.000 -2.013) 3.348 4.693 ( 9.527 0.000 -0.741) 9.556 4.762 ( -1.388 0.000 0.503) 1.477 4.885 ( 1.956 0.000 0.859) 2.137 4.893 ( 0.485 0.000 0.873) 0.998 4.903 ( 7.422 0.000 1.229) 7.524 4.918 ( 6.760 0.000 5.339) 8.614 4.967 ( -6.254 0.000 2.982) 6.929 5.131 ( 6.312 0.000 -0.562) 6.337 5.186 ( 4.081 0.000 -1.200) 4.254 5.216 ( 1.368 0.000 -0.991) 1.689 5.235 ( 5.843 0.000 0.660) 5.880 5.366 ( 8.331 0.000 0.617) 8.354 5.416 ( 2.889 0.000 -1.857) 3.435 5.525 ( 3.101 0.000 8.546) 9.091 5.560 ( 10.683 0.000 4.202) 11.480 5.626 ( 5.166 0.000 -1.831) 5.481 5.669 ( 6.093 0.000 -4.591) 7.630 5.701 ( 5.739 0.000 4.017) 7.005 5.745 ( 1.613 0.000 3.492) 3.847 5.801 ( 5.475 0.000 4.487) 7.078 5.878 ( 1.455 0.000 -0.440) 1.520 5.944 ( 1.062 0.000 -0.130) 1.070 6.008 ( 2.796 0.000 7.225) 7.747 6.090 ( -1.526 0.000 -4.318) 4.580 6.156 ( 3.252 0.000 -4.984) 5.951 6.217 ( -0.802 0.000 4.091) 4.169 6.245 ( -1.638 0.000 8.572) 8.727 6.359 ( -2.492 0.000 -4.686) 5.307 6.544 ( 9.205 0.000 -1.682) 9.357 6.659 ( 4.853 0.000 -5.767) 7.537 6.833 ( 0.312 0.000 -3.190) 3.205 6.848 ( 8.955 0.000 6.855) 11.278 6.914 ( 2.101 0.000 -1.237) 2.438 7.120 ( -1.108 0.000 -1.083) 1.550 7.386 ( -5.348 0.000 -0.341) 5.359 7.405 ( -6.614 0.000 -1.181) 6.718 7.593 ( -0.426 0.000 4.039) 4.062 7.686 ( 5.283 0.000 -8.091) 9.663 7.804 ( 3.371 0.000 12.379) 12.830 7.920 ( 2.883 0.000 3.849) 4.809 8.060 ( 0.781 0.000 0.764) 1.092 8.077 ( 0.020 0.000 4.465) 4.465 8.091 ( -2.743 0.000 -2.385) 3.634 8.192 ( 0.679 0.000 -4.587) 4.637 8.230 ( 1.247 0.000 -2.838) 3.100 8.315 ( 7.500 0.000 -6.308) 9.800 8.407 ( 12.134 0.000 0.373) 12.140 8.566 ( 6.224 0.000 2.670) 6.773 8.620 ( 8.615 0.000 2.628) 9.007 8.676 ( 6.812 0.000 1.967) 7.090 8.859 ( 0.604 0.000 0.154) 0.623 9.267 ( 13.071 0.000 -0.669) 13.088 9.351 ( -3.790 0.000 -2.177) 4.371 9.573 ( 9.602 0.000 -19.934) 22.127 9.801 ( 1.384 0.000 -20.198) 20.246 10.491 ( 12.203 0.000 5.071) 13.215 10.672 ( 5.742 0.000 8.652) 10.384 10.723 ( 10.880 0.000 5.780) 12.320 10.754 ( -1.955 0.000 16.751) 16.864 10.924 ( 1.296 0.000 7.994) 8.098 11.167 ( 9.541 0.000 5.119) 10.827 11.593 ( 2.266 0.000 -24.602) 24.706 11.682 ( -3.477 0.000 -19.983) 20.283 11.920 ( 2.829 0.000 -0.226) 2.838 12.048 ( -6.541 0.000 16.082) 17.362 12.320 ( -2.107 0.000 10.313) 10.525 12.540 ( -3.481 0.000 12.552) 13.026 12.688 ( -6.062 0.000 12.185) 13.609 12.693 ( -4.857 0.000 -16.630) 17.325 12.921 ( -10.498 0.000 -10.473) 14.828 12.941 ( -7.094 0.000 -2.145) 7.411 13.408 ( 2.802 0.000 1.133) 3.022 13.804 ( 6.208 0.000 -5.494) 8.290 14.159 ( -1.635 0.000 -0.920) 1.876 14.302 ( -0.674 0.000 -7.194) 7.226 14.728 ( -5.907 0.000 11.842) 13.233 14.743 ( 1.348 0.000 15.976) 16.033 15.212 ( 1.136 0.000 -4.580) 4.718 15.259 ( 2.624 0.000 -3.233) 4.164 15.429 ( -4.210 0.000 0.257) 4.218 15.502 ( -6.166 0.000 1.518) 6.350 15.585 ( -6.934 0.000 0.369) 6.943 15.807 ( -0.730 0.000 9.263) 9.291 16.019 ( -5.248 0.000 -12.959) 13.981 16.085 ( -2.770 0.000 -2.956) 4.051 16.141 ( -2.052 0.000 -1.559) 2.577 16.168 ( -6.665 0.000 -1.097) 6.755 ======================= Grid point 48 (19/45) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 16.840 0.000 6.687) 18.120 1.091 ( 13.402 0.000 7.174) 15.201 1.447 ( 9.176 0.000 -8.835) 12.737 1.504 ( 2.780 0.000 -0.826) 2.900 1.543 ( 3.797 0.000 -2.280) 4.428 1.577 ( 2.683 0.000 -6.490) 7.023 1.667 ( 2.645 0.000 -4.727) 5.417 1.677 ( 3.900 0.000 -1.859) 4.320 1.803 ( 2.579 0.000 2.458) 3.563 1.828 ( 4.105 0.000 1.096) 4.249 1.842 ( -1.179 0.000 0.832) 1.444 1.884 ( 0.686 0.000 -1.876) 1.998 1.995 ( 0.716 0.000 1.257) 1.447 2.087 ( 1.254 0.000 0.169) 1.266 2.089 ( 7.748 0.000 -0.318) 7.755 2.113 ( -0.573 0.000 0.167) 0.597 2.119 ( -0.713 0.000 0.684) 0.989 2.131 ( -0.524 0.000 -1.603) 1.686 2.210 ( 5.745 0.000 5.041) 7.643 2.240 ( -5.357 0.000 -0.992) 5.448 2.258 ( 1.084 0.000 -0.740) 1.312 2.334 ( 10.256 0.000 3.163) 10.732 2.388 ( -4.847 0.000 8.140) 9.474 2.454 ( 3.465 0.000 8.302) 8.996 2.537 ( 3.173 0.000 1.577) 3.543 2.555 ( 0.058 0.000 1.430) 1.431 2.672 ( -5.524 0.000 -3.301) 6.435 2.770 ( -4.880 0.000 0.691) 4.929 2.801 ( 7.216 0.000 9.310) 11.779 2.890 ( 4.649 0.000 -7.092) 8.480 2.942 ( -6.567 0.000 -8.090) 10.420 3.000 ( 3.663 0.000 -4.949) 6.157 3.147 ( 8.563 0.000 -6.968) 11.040 3.155 ( 0.721 0.000 -5.297) 5.346 3.302 ( -2.580 0.000 1.584) 3.028 3.327 ( -1.113 0.000 2.493) 2.730 3.477 ( -2.184 0.000 7.403) 7.718 3.508 ( 1.906 0.000 0.010) 1.906 3.526 ( -5.379 0.000 3.227) 6.273 3.651 ( -0.219 0.000 1.629) 1.644 3.654 ( -4.351 0.000 5.974) 7.390 3.793 ( -8.777 0.000 3.657) 9.509 3.864 ( 2.735 0.000 2.058) 3.423 3.929 ( 2.838 0.000 -4.316) 5.166 4.178 ( 1.626 0.000 0.092) 1.629 4.182 ( 2.876 0.000 -1.839) 3.413 4.209 ( 0.226 0.000 1.998) 2.011 4.254 ( 3.555 0.000 2.085) 4.121 4.321 ( -0.689 0.000 -0.870) 1.110 4.348 ( 1.624 0.000 -1.241) 2.044 4.430 ( 1.768 0.000 3.035) 3.512 4.453 ( -1.444 0.000 2.205) 2.636 4.479 ( -2.524 0.000 2.548) 3.587 4.481 ( -2.231 0.000 3.161) 3.870 4.577 ( 1.293 0.000 2.024) 2.401 4.605 ( -1.779 0.000 0.539) 1.859 4.681 ( -4.599 0.000 1.124) 4.734 4.791 ( -1.008 0.000 1.330) 1.668 4.830 ( 6.166 0.000 -0.239) 6.171 4.863 ( -1.936 0.000 -0.032) 1.936 4.932 ( 4.887 0.000 1.235) 5.041 4.934 ( 4.299 0.000 -3.874) 5.787 5.098 ( 10.218 0.000 5.398) 11.556 5.113 ( 7.554 0.000 -1.708) 7.744 5.184 ( 1.535 0.000 -3.394) 3.725 5.210 ( 0.501 0.000 -3.689) 3.722 5.272 ( 3.572 0.000 -0.317) 3.586 5.316 ( -0.370 0.000 2.985) 3.008 5.355 ( 1.264 0.000 7.703) 7.806 5.494 ( 5.241 0.000 0.823) 5.305 5.615 ( -3.774 0.000 1.126) 3.938 5.685 ( 6.956 0.000 4.673) 8.380 5.704 ( 3.773 0.000 -0.523) 3.809 5.749 ( 1.678 0.000 -0.270) 1.700 5.831 ( 6.710 0.000 2.599) 7.195 5.835 ( 3.802 0.000 1.430) 4.062 5.917 ( 5.504 0.000 -1.205) 5.634 5.934 ( 0.741 0.000 1.105) 1.331 5.960 ( 1.446 0.000 -3.433) 3.725 6.062 ( 2.091 0.000 9.419) 9.648 6.073 ( -1.916 0.000 -6.685) 6.954 6.170 ( -2.804 0.000 6.157) 6.766 6.198 ( 5.942 0.000 0.075) 5.942 6.302 ( 6.678 0.000 -1.921) 6.948 6.475 ( 12.607 0.000 -7.312) 14.574 6.723 ( 5.921 0.000 3.523) 6.890 6.763 ( -4.769 0.000 -3.619) 5.987 6.775 ( 2.837 0.000 4.166) 5.040 6.919 ( 0.846 0.000 -5.959) 6.018 7.041 ( -4.032 0.000 4.935) 6.373 7.051 ( 10.726 0.000 -0.965) 10.769 7.231 ( -7.584 0.000 5.594) 9.424 7.280 ( -6.446 0.000 -0.977) 6.519 7.627 ( 2.036 0.000 -1.022) 2.278 7.709 ( -0.122 0.000 -4.483) 4.485 7.796 ( -7.142 0.000 5.877) 9.249 7.930 ( -3.687 0.000 -1.119) 3.853 8.006 ( 0.750 0.000 1.091) 1.324 8.065 ( -4.617 0.000 0.659) 4.664 8.184 ( 12.002 0.000 -1.088) 12.052 8.192 ( -2.514 0.000 -2.392) 3.470 8.267 ( 7.227 0.000 -1.609) 7.404 8.504 ( 8.993 0.000 -2.763) 9.408 8.643 ( 9.667 0.000 2.405) 9.962 8.719 ( 7.536 0.000 3.657) 8.377 8.772 ( 5.754 0.000 3.084) 6.528 8.816 ( 6.330 0.000 0.580) 6.356 8.840 ( -2.521 0.000 0.922) 2.684 9.309 ( 0.945 0.000 -1.375) 1.668 9.553 ( 14.913 0.000 -1.422) 14.981 9.665 ( 0.121 0.000 -14.376) 14.376 9.844 ( 3.081 0.000 -17.811) 18.076 10.726 ( 10.033 0.000 3.254) 10.547 10.743 ( 5.475 0.000 4.674) 7.198 10.783 ( 4.072 0.000 8.563) 9.482 10.980 ( 10.872 0.000 7.476) 13.194 11.063 ( 10.263 0.000 1.438) 10.363 11.342 ( 8.228 0.000 1.719) 8.405 11.655 ( 2.374 0.000 -14.244) 14.440 11.668 ( 7.215 0.000 -17.960) 19.355 11.887 ( -10.192 0.000 14.206) 17.484 11.919 ( -3.890 0.000 6.471) 7.550 12.301 ( -0.502 0.000 5.231) 5.255 12.411 ( -10.778 0.000 8.634) 13.809 12.517 ( -9.640 0.000 -0.059) 9.640 12.616 ( -2.704 0.000 -12.619) 12.905 12.722 ( -8.440 0.000 -8.210) 11.774 12.774 ( -9.056 0.000 -4.874) 10.284 13.548 ( 9.991 0.000 9.993) 14.131 13.919 ( 4.881 0.000 -1.409) 5.080 14.106 ( -3.322 0.000 -1.047) 3.484 14.181 ( -10.248 0.000 -1.357) 10.338 14.696 ( 2.205 0.000 7.819) 8.123 14.822 ( 6.632 0.000 9.019) 11.195 15.223 ( -8.742 0.000 -6.674) 10.998 15.240 ( -1.167 0.000 -11.097) 11.158 15.361 ( -0.092 0.000 3.992) 3.993 15.397 ( -1.510 0.000 5.447) 5.653 15.487 ( -3.036 0.000 1.326) 3.313 15.764 ( -5.292 0.000 2.798) 5.986 15.927 ( -2.023 0.000 -6.798) 7.092 16.047 ( -1.690 0.000 -1.820) 2.484 16.060 ( -3.801 0.000 -0.365) 3.818 16.090 ( -3.238 0.000 -0.656) 3.303 ======================= Grid point 49 (20/45) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 14.590 0.000 5.006) 15.425 1.328 ( 10.613 0.000 3.985) 11.336 1.486 ( -5.033 0.000 -0.077) 5.034 1.530 ( -3.525 0.000 0.174) 3.529 1.610 ( 0.463 0.000 -3.763) 3.792 1.617 ( -3.148 0.000 2.926) 4.297 1.644 ( 6.818 0.000 -4.348) 8.087 1.721 ( -0.270 0.000 -2.769) 2.782 1.835 ( 0.981 0.000 -0.266) 1.017 1.853 ( 2.765 0.000 -2.959) 4.049 1.874 ( -2.034 0.000 -1.206) 2.364 1.880 ( 0.025 0.000 -1.420) 1.420 2.001 ( 1.662 0.000 -0.966) 1.923 2.052 ( -1.135 0.000 -2.009) 2.307 2.073 ( -4.545 0.000 -2.078) 4.997 2.077 ( -2.793 0.000 -0.458) 2.830 2.116 ( 1.418 0.000 1.424) 2.010 2.143 ( -2.022 0.000 2.392) 3.132 2.243 ( 3.039 0.000 -0.847) 3.155 2.264 ( 0.091 0.000 0.131) 0.160 2.294 ( 2.590 0.000 6.820) 7.295 2.340 ( -1.979 0.000 5.698) 6.032 2.484 ( 4.444 0.000 6.884) 8.194 2.521 ( 3.767 0.000 0.647) 3.822 2.568 ( -1.639 0.000 -1.799) 2.433 2.601 ( 4.270 0.000 1.525) 4.535 2.656 ( -1.993 0.000 -7.853) 8.102 2.686 ( -4.134 0.000 2.680) 4.927 2.874 ( 6.657 0.000 -1.224) 6.769 2.995 ( 2.717 0.000 -2.026) 3.389 2.998 ( 6.277 0.000 -7.399) 9.703 3.035 ( 5.454 0.000 5.424) 7.692 3.111 ( -4.637 0.000 -6.024) 7.602 3.221 ( -7.133 0.000 4.418) 8.390 3.284 ( 4.275 0.000 -3.918) 5.799 3.320 ( -0.184 0.000 0.410) 0.449 3.423 ( -2.074 0.000 6.674) 6.988 3.436 ( -3.491 0.000 2.047) 4.047 3.564 ( 3.483 0.000 -0.429) 3.509 3.605 ( -0.136 0.000 8.895) 8.896 3.625 ( -2.415 0.000 -0.364) 2.442 3.652 ( -4.965 0.000 9.497) 10.716 3.918 ( 2.609 0.000 -0.598) 2.677 3.952 ( -0.545 0.000 -2.752) 2.806 4.192 ( 0.779 0.000 3.380) 3.469 4.211 ( -0.653 0.000 1.808) 1.922 4.226 ( 2.105 0.000 -2.412) 3.201 4.264 ( -1.547 0.000 -2.389) 2.846 4.326 ( 1.256 0.000 0.062) 1.258 4.378 ( -4.184 0.000 0.601) 4.227 4.430 ( 5.136 0.000 0.554) 5.166 4.442 ( 0.745 0.000 4.140) 4.207 4.450 ( -0.868 0.000 1.922) 2.109 4.485 ( 2.435 0.000 2.342) 3.379 4.541 ( -4.831 0.000 1.544) 5.072 4.558 ( -3.895 0.000 0.971) 4.015 4.663 ( 3.078 0.000 3.671) 4.791 4.737 ( -3.791 0.000 3.115) 4.906 4.826 ( 0.400 0.000 -1.553) 1.604 4.859 ( -1.901 0.000 -0.277) 1.921 5.045 ( 5.137 0.000 1.180) 5.271 5.073 ( 6.413 0.000 -4.329) 7.737 5.112 ( -2.361 0.000 2.041) 3.121 5.146 ( -1.660 0.000 -1.124) 2.005 5.238 ( 0.279 0.000 1.430) 1.457 5.263 ( -2.353 0.000 2.346) 3.323 5.333 ( 6.415 0.000 1.066) 6.503 5.368 ( 7.301 0.000 -3.544) 8.116 5.519 ( 10.404 0.000 0.563) 10.419 5.520 ( -1.701 0.000 2.535) 3.053 5.593 ( 1.238 0.000 -0.944) 1.557 5.688 ( -6.445 0.000 0.643) 6.477 5.748 ( -0.126 0.000 -0.608) 0.621 5.768 ( -6.700 0.000 0.562) 6.724 5.816 ( 6.657 0.000 2.754) 7.204 5.909 ( -0.365 0.000 2.808) 2.832 5.957 ( 3.115 0.000 -1.381) 3.407 5.987 ( 1.647 0.000 -7.076) 7.265 6.001 ( 2.254 0.000 -5.943) 6.357 6.019 ( -2.905 0.000 -3.386) 4.461 6.089 ( -0.129 0.000 10.752) 10.752 6.110 ( -2.273 0.000 6.763) 7.135 6.367 ( 8.173 0.000 0.883) 8.220 6.487 ( 11.039 0.000 -1.977) 11.214 6.539 ( -9.976 0.000 3.229) 10.486 6.686 ( -8.790 0.000 0.283) 8.794 6.747 ( 11.418 0.000 -7.056) 13.422 6.910 ( 2.221 0.000 -10.927) 11.151 6.944 ( 1.744 0.000 6.154) 6.396 7.005 ( 5.483 0.000 2.810) 6.160 7.110 ( -5.482 0.000 4.431) 7.049 7.132 ( -9.205 0.000 -0.809) 9.241 7.308 ( 14.132 0.000 4.932) 14.968 7.579 ( -13.161 0.000 2.649) 13.425 7.670 ( 2.859 0.000 -0.912) 3.001 7.713 ( -0.676 0.000 -3.678) 3.740 7.915 ( 0.994 0.000 2.122) 2.344 7.968 ( -4.388 0.000 1.077) 4.518 8.015 ( 1.906 0.000 -1.225) 2.265 8.093 ( -5.333 0.000 -3.759) 6.525 8.446 ( 9.973 0.000 1.574) 10.097 8.479 ( 14.521 0.000 -1.114) 14.564 8.590 ( -2.259 0.000 3.852) 4.466 8.692 ( -5.720 0.000 2.285) 6.160 8.782 ( 0.885 0.000 -0.251) 0.920 8.813 ( -0.374 0.000 0.857) 0.935 8.852 ( 3.189 0.000 0.583) 3.241 8.880 ( 0.640 0.000 1.334) 1.480 9.421 ( 9.333 0.000 -2.673) 9.708 9.594 ( -7.035 0.000 -7.894) 10.574 9.796 ( 9.159 0.000 -6.867) 11.448 9.887 ( -0.245 0.000 -13.867) 13.869 10.836 ( 3.229 0.000 1.286) 3.476 10.863 ( 1.366 0.000 -0.089) 1.369 10.886 ( 8.346 0.000 -1.174) 8.429 11.024 ( -4.407 0.000 -2.249) 4.948 11.334 ( 15.745 0.000 8.757) 18.017 11.528 ( 11.669 0.000 1.440) 11.758 11.630 ( -13.709 0.000 14.346) 19.843 11.762 ( -10.705 0.000 7.444) 13.039 11.834 ( 12.866 0.000 -7.073) 14.682 11.884 ( 13.101 0.000 -6.552) 14.648 12.134 ( -16.258 0.000 1.342) 16.314 12.158 ( -13.575 0.000 4.104) 14.181 12.478 ( 5.002 0.000 -8.342) 9.727 12.590 ( -0.072 0.000 -7.181) 7.182 12.609 ( -7.805 0.000 -6.288) 10.022 12.616 ( -2.958 0.000 -5.464) 6.213 13.754 ( 10.793 0.000 10.681) 15.184 13.966 ( -11.134 0.000 5.935) 12.617 13.990 ( 2.814 0.000 0.016) 2.814 14.043 ( -2.910 0.000 -0.681) 2.988 14.795 ( 7.950 0.000 3.354) 8.629 14.978 ( 8.703 0.000 3.086) 9.234 14.997 ( -12.179 0.000 -0.280) 12.182 15.138 ( -7.460 0.000 -2.165) 7.768 15.411 ( 1.595 0.000 2.020) 2.574 15.444 ( -1.769 0.000 1.464) 2.296 15.451 ( 7.367 0.000 -3.998) 8.382 15.613 ( -8.828 0.000 -4.997) 10.144 15.946 ( 2.956 0.000 0.224) 2.965 16.014 ( -0.482 0.000 -0.436) 0.650 16.018 ( -4.000 0.000 -0.055) 4.001 16.024 ( -1.174 0.000 -1.539) 1.935 ======================= Grid point 54 (21/45) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 0.000 10.928 13.432) 17.316 0.636 ( 0.000 11.903 16.173) 20.081 0.771 ( 0.000 22.228 8.569) 23.823 1.090 ( 0.000 -7.723 4.824) 9.106 1.154 ( 0.000 -1.553 -7.741) 7.895 1.284 ( 0.000 -6.812 -0.582) 6.837 1.328 ( 0.000 1.436 -4.927) 5.132 1.453 ( 0.000 6.358 -11.205) 12.883 1.477 ( 0.000 -4.514 -5.092) 6.805 1.578 ( 0.000 1.126 -13.660) 13.706 1.580 ( 0.000 0.872 0.854) 1.221 1.789 ( 0.000 -0.168 0.478) 0.506 1.824 ( 0.000 -2.401 2.975) 3.823 1.853 ( 0.000 -3.758 3.960) 5.460 2.029 ( 0.000 1.146 0.539) 1.267 2.095 ( 0.000 0.228 -7.054) 7.058 2.111 ( 0.000 -0.076 12.494) 12.494 2.146 ( 0.000 -1.034 4.432) 4.551 2.246 ( 0.000 2.724 0.608) 2.791 2.307 ( 0.000 1.241 3.553) 3.763 2.375 ( 0.000 -1.618 -5.209) 5.454 2.400 ( 0.000 0.564 0.015) 0.564 2.430 ( 0.000 3.119 0.482) 3.156 2.482 ( 0.000 1.488 -3.107) 3.445 2.516 ( 0.000 -6.020 6.856) 9.124 2.555 ( 0.000 -0.075 -1.095) 1.097 2.590 ( 0.000 -2.232 -2.030) 3.017 2.679 ( 0.000 -4.205 5.173) 6.666 2.834 ( 0.000 -1.829 0.153) 1.835 2.873 ( 0.000 1.937 3.344) 3.865 3.038 ( 0.000 2.500 0.320) 2.520 3.069 ( 0.000 0.743 -0.387) 0.838 3.093 ( 0.000 0.234 -4.240) 4.246 3.282 ( 0.000 0.655 -6.216) 6.251 3.283 ( 0.000 -7.999 2.955) 8.528 3.373 ( 0.000 -1.506 0.544) 1.601 3.516 ( 0.000 1.363 3.894) 4.125 3.596 ( 0.000 -1.760 0.316) 1.789 3.673 ( 0.000 0.116 -0.596) 0.607 3.724 ( 0.000 -3.452 0.329) 3.468 3.768 ( 0.000 3.154 -0.287) 3.167 3.785 ( 0.000 2.120 2.042) 2.943 3.919 ( 0.000 4.168 -0.221) 4.174 3.962 ( 0.000 -0.669 -0.363) 0.762 4.023 ( 0.000 2.387 3.820) 4.504 4.087 ( 0.000 0.971 -1.486) 1.775 4.106 ( 0.000 -1.840 -2.344) 2.980 4.166 ( 0.000 -2.009 -2.512) 3.217 4.277 ( 0.000 4.868 -1.917) 5.232 4.305 ( 0.000 5.857 3.049) 6.603 4.320 ( 0.000 0.332 -0.081) 0.341 4.425 ( 0.000 2.334 -0.865) 2.489 4.469 ( 0.000 0.787 1.754) 1.923 4.518 ( 0.000 1.646 -3.317) 3.703 4.563 ( 0.000 3.865 -0.391) 3.885 4.580 ( 0.000 5.172 6.961) 8.672 4.605 ( 0.000 -1.467 -1.795) 2.318 4.641 ( 0.000 -1.265 1.722) 2.136 4.683 ( 0.000 1.101 1.383) 1.768 4.726 ( 0.000 -3.925 -0.074) 3.925 4.816 ( 0.000 2.330 6.400) 6.811 4.821 ( 0.000 -0.526 3.157) 3.200 4.899 ( 0.000 0.376 1.015) 1.082 4.930 ( 0.000 3.226 2.678) 4.193 4.990 ( 0.000 -1.218 -3.648) 3.846 5.107 ( 0.000 1.237 6.757) 6.869 5.136 ( 0.000 6.539 0.732) 6.580 5.150 ( 0.000 6.685 -5.960) 8.956 5.256 ( 0.000 1.539 2.314) 2.779 5.300 ( 0.000 -2.331 1.109) 2.581 5.340 ( 0.000 -0.415 -0.515) 0.661 5.449 ( 0.000 -0.201 -5.129) 5.133 5.489 ( 0.000 4.654 -0.971) 4.754 5.593 ( 0.000 2.462 2.385) 3.428 5.615 ( 0.000 -4.065 -0.040) 4.065 5.684 ( 0.000 0.028 2.661) 2.661 5.770 ( 0.000 0.653 -2.985) 3.055 5.781 ( 0.000 3.790 -0.729) 3.860 5.916 ( 0.000 3.487 -1.118) 3.661 6.111 ( 0.000 -2.280 8.297) 8.604 6.146 ( 0.000 -5.460 0.539) 5.487 6.232 ( 0.000 -1.919 1.899) 2.700 6.396 ( 0.000 1.526 -4.276) 4.540 6.446 ( 0.000 7.382 3.728) 8.270 6.478 ( 0.000 1.795 -2.107) 2.768 6.502 ( 0.000 -1.061 -7.218) 7.295 6.585 ( 0.000 -5.541 -8.738) 10.346 6.602 ( 0.000 12.732 11.206) 16.961 6.654 ( 0.000 -0.984 -2.550) 2.733 6.705 ( 0.000 -2.676 3.301) 4.249 6.893 ( 0.000 0.664 3.462) 3.525 7.043 ( 0.000 3.236 -5.905) 6.734 7.434 ( 0.000 -7.800 3.756) 8.657 7.610 ( 0.000 -10.284 6.888) 12.377 7.644 ( 0.000 -3.314 -8.326) 8.961 7.716 ( 0.000 -9.271 4.211) 10.183 7.836 ( 0.000 -2.368 5.969) 6.421 7.903 ( 0.000 3.954 0.811) 4.036 7.962 ( 0.000 -7.749 1.376) 7.871 7.995 ( 0.000 2.910 4.922) 5.718 8.171 ( 0.000 2.948 -1.883) 3.498 8.173 ( 0.000 3.837 8.511) 9.336 8.261 ( 0.000 -2.160 1.905) 2.880 8.286 ( 0.000 -3.185 0.304) 3.199 8.405 ( 0.000 -0.500 -4.921) 4.946 8.480 ( 0.000 -5.890 0.054) 5.890 8.565 ( 0.000 5.864 -6.551) 8.792 8.828 ( 0.000 -0.967 -9.033) 9.085 9.057 ( 0.000 4.031 2.167) 4.576 9.366 ( 0.000 16.739 -18.020) 24.595 9.369 ( 0.000 -7.130 -2.599) 7.589 9.740 ( 0.000 -2.285 -21.695) 21.815 10.244 ( 0.000 0.824 8.124) 8.166 10.319 ( 0.000 -1.831 13.788) 13.909 10.683 ( 0.000 6.755 -7.115) 9.811 10.918 ( 0.000 -1.976 0.838) 2.147 11.078 ( 0.000 5.536 15.686) 16.635 11.369 ( 0.000 -2.160 -14.288) 14.450 11.402 ( 0.000 0.015 -6.886) 6.886 11.716 ( 0.000 -5.843 -14.918) 16.021 11.844 ( 0.000 0.741 -8.461) 8.494 12.200 ( 0.000 -31.243 29.938) 43.271 12.290 ( 0.000 3.041 11.141) 11.549 12.382 ( 0.000 -2.895 20.967) 21.166 12.753 ( 0.000 -5.823 11.481) 12.873 12.767 ( 0.000 -0.407 13.368) 13.374 12.877 ( 0.000 4.259 -2.466) 4.921 13.095 ( 0.000 -3.376 -5.596) 6.536 13.394 ( 0.000 -3.926 17.338) 17.777 13.494 ( 0.000 -3.467 -5.954) 6.890 13.956 ( 0.000 8.363 -17.468) 19.366 14.408 ( 0.000 -6.890 -20.422) 21.553 14.847 ( 0.000 6.640 18.768) 19.908 15.101 ( 0.000 4.516 4.175) 6.150 15.151 ( 0.000 1.148 2.098) 2.392 15.358 ( 0.000 -10.370 0.499) 10.382 15.710 ( 0.000 4.597 -0.182) 4.601 15.745 ( 0.000 0.963 -3.541) 3.670 15.756 ( 0.000 2.344 -2.789) 3.643 15.860 ( 0.000 3.563 -6.644) 7.539 15.879 ( 0.000 6.970 2.944) 7.566 16.107 ( 0.000 -2.268 2.205) 3.164 16.150 ( 0.000 -4.256 -3.295) 5.382 16.296 ( 0.000 -4.558 -5.462) 7.114 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.11 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 8.462 11.460 13.560) 19.667 0.808 ( 4.784 20.367 8.360) 22.529 0.834 ( 23.343 8.691 7.818) 26.106 1.237 ( 12.261 -6.003 -0.072) 13.652 1.276 ( 10.481 -6.641 2.713) 12.701 1.333 ( 5.871 -1.182 -4.469) 7.472 1.371 ( 3.074 3.507 -8.353) 9.566 1.436 ( 2.236 -2.387 -4.345) 5.438 1.542 ( 2.192 0.576 -10.830) 11.065 1.595 ( 4.470 1.252 -7.361) 8.702 1.645 ( 6.553 0.970 -3.302) 7.402 1.814 ( 1.459 -0.936 1.999) 2.646 1.826 ( 0.869 -2.860 2.824) 4.112 1.892 ( 3.082 -3.192 3.282) 5.519 2.041 ( 0.605 0.607 1.444) 1.679 2.104 ( 0.573 1.247 -4.003) 4.232 2.110 ( 0.122 -0.123 4.503) 4.506 2.156 ( 0.986 0.038 7.763) 7.825 2.239 ( -0.686 1.141 1.696) 2.156 2.289 ( -4.203 0.459 -1.220) 4.400 2.294 ( -1.143 0.348 4.172) 4.339 2.352 ( -4.031 -0.342 -3.383) 5.273 2.405 ( -2.394 4.531 2.235) 5.591 2.503 ( -0.677 -6.522 6.154) 8.992 2.552 ( 3.409 1.759 -2.823) 4.763 2.573 ( 0.870 -2.288 0.184) 2.455 2.609 ( 2.968 -4.442 -0.601) 5.376 2.711 ( -1.529 -0.760 2.891) 3.358 2.780 ( 0.133 -1.433 0.461) 1.511 2.921 ( 2.777 -1.456 0.214) 3.143 2.982 ( -4.354 3.330 -0.026) 5.482 3.062 ( -0.535 1.716 -3.754) 4.162 3.072 ( -3.364 1.154 -2.078) 4.119 3.250 ( -3.182 2.818 -7.490) 8.612 3.269 ( -0.189 -6.888 4.080) 8.007 3.398 ( 1.445 -1.736 0.516) 2.316 3.482 ( -1.190 0.602 2.619) 2.939 3.573 ( -6.153 -0.205 -1.518) 6.341 3.593 ( -0.541 -1.233 -0.416) 1.410 3.696 ( -3.795 -3.461 0.008) 5.136 3.769 ( 1.690 3.181 3.611) 5.101 3.827 ( -0.410 -0.036 0.067) 0.417 3.935 ( -0.471 3.119 0.067) 3.155 4.011 ( -0.353 -0.031 -3.837) 3.854 4.017 ( 2.929 2.610 2.241) 4.518 4.071 ( 3.882 -0.114 3.980) 5.561 4.145 ( 3.970 1.992 -1.254) 4.615 4.231 ( 2.871 -0.128 1.125) 3.086 4.275 ( -0.612 2.393 2.975) 3.867 4.319 ( 2.962 3.301 -2.033) 4.879 4.359 ( 3.876 1.218 -0.023) 4.063 4.415 ( -0.967 -0.043 0.680) 1.183 4.466 ( 1.033 4.121 -0.386) 4.266 4.526 ( 0.924 2.827 -1.576) 3.366 4.600 ( 3.230 4.462 3.733) 6.654 4.616 ( 2.617 2.353 1.751) 3.930 4.656 ( 1.186 -2.338 1.381) 2.963 4.661 ( 1.009 0.806 -3.474) 3.707 4.713 ( 2.946 1.084 -0.522) 3.182 4.780 ( 4.588 -3.988 1.270) 6.210 4.795 ( 1.431 -0.685 4.097) 4.394 4.875 ( 1.210 -2.901 2.633) 4.100 4.928 ( 3.457 3.754 3.051) 5.945 4.959 ( 2.921 4.039 2.563) 5.605 5.048 ( 5.091 -0.448 -3.025) 5.939 5.119 ( 2.920 2.595 0.777) 3.983 5.156 ( 3.355 1.414 4.714) 5.956 5.251 ( 3.901 6.146 -1.786) 7.496 5.279 ( 3.805 2.121 0.738) 4.418 5.333 ( 5.287 -2.255 0.101) 5.749 5.394 ( 5.747 -0.718 2.854) 6.457 5.476 ( 0.605 4.788 -1.441) 5.036 5.553 ( 5.823 2.522 0.654) 6.379 5.582 ( 1.027 1.823 -2.291) 3.103 5.659 ( 2.498 -0.587 1.587) 3.017 5.695 ( 2.021 -1.995 2.240) 3.617 5.794 ( 2.379 2.842 2.693) 4.581 5.824 ( 3.585 1.966 -3.720) 5.527 5.916 ( 1.773 2.199 2.611) 3.846 6.070 ( -5.030 1.188 4.533) 6.874 6.097 ( -0.757 -0.017 5.252) 5.306 6.213 ( -1.209 -1.104 1.296) 2.089 6.287 ( -4.350 1.816 -1.257) 4.879 6.319 ( -8.050 5.547 -4.745) 10.867 6.446 ( -2.241 0.469 -3.620) 4.283 6.492 ( -0.287 5.361 0.687) 5.413 6.553 ( -0.818 -2.753 -2.048) 3.528 6.681 ( 5.766 -7.666 -3.180) 10.106 6.748 ( 3.888 -2.122 0.982) 4.537 6.824 ( 6.709 4.944 5.658) 10.073 6.988 ( 0.726 -7.348 1.764) 7.591 7.199 ( 16.028 -0.309 -6.224) 17.197 7.438 ( 1.594 -7.360 3.300) 8.222 7.518 ( -5.193 -8.836 4.985) 11.397 7.618 ( -1.160 0.109 -5.322) 5.448 7.681 ( -2.738 -5.146 4.392) 7.299 7.922 ( 2.871 -4.553 5.836) 7.939 7.940 ( 1.929 -8.598 2.518) 9.164 8.033 ( 5.170 4.427 6.605) 9.484 8.060 ( 8.518 0.827 -0.308) 8.563 8.147 ( 4.310 1.406 -3.638) 5.813 8.218 ( -0.280 1.336 -1.271) 1.866 8.277 ( -0.162 2.958 -5.475) 6.225 8.304 ( -0.733 0.906 -0.669) 1.344 8.410 ( 7.507 -3.858 6.575) 10.699 8.529 ( 1.863 -4.571 -0.198) 4.940 8.626 ( 4.898 7.370 -5.972) 10.676 8.849 ( 2.113 0.192 -6.240) 6.591 9.093 ( 4.220 1.919 1.236) 4.797 9.340 ( -1.881 -6.402 -1.872) 6.930 9.465 ( 7.852 10.725 -20.710) 24.608 9.759 ( 1.600 -2.024 -22.091) 22.241 10.322 ( 7.863 1.664 7.471) 10.973 10.420 ( 9.810 -2.294 12.982) 16.433 10.706 ( 2.245 6.325 -4.918) 8.321 10.885 ( -11.608 1.329 16.331) 20.080 10.978 ( 5.053 -2.203 3.179) 6.364 11.091 ( -16.527 -2.772 13.111) 21.278 11.537 ( 7.892 2.909 -17.598) 19.504 11.736 ( -0.698 -1.254 -20.460) 20.510 11.867 ( 2.522 0.994 -4.858) 5.563 12.131 ( -3.905 -5.766 17.291) 18.641 12.343 ( -0.445 -1.220 14.494) 14.552 12.459 ( 4.483 -10.346 7.474) 13.527 12.748 ( -0.018 0.059 8.417) 8.417 12.829 ( -3.254 3.557 1.894) 5.179 12.856 ( 4.154 -7.453 3.028) 9.054 13.042 ( -5.489 -3.375 -4.824) 8.049 13.379 ( 0.235 0.044 5.066) 5.072 13.596 ( 7.785 -6.738 4.290) 11.154 13.997 ( 4.126 5.079 -14.478) 15.889 14.380 ( -2.818 -5.869 -16.903) 18.114 14.819 ( -2.344 6.180 17.855) 19.039 15.034 ( -6.135 6.108 3.785) 9.448 15.201 ( 3.480 0.784 1.418) 3.839 15.355 ( -0.552 -8.247 -1.670) 8.432 15.433 ( -14.643 10.429 5.822) 18.897 15.659 ( -4.881 3.764 -0.419) 6.178 15.708 ( -5.166 0.755 -1.834) 5.533 15.850 ( -2.591 -1.240 6.890) 7.465 16.001 ( 2.166 -0.071 -12.004) 12.198 16.110 ( -1.049 -2.903 -2.522) 3.986 16.129 ( -0.899 -2.328 -0.675) 2.585 16.248 ( -4.368 -4.073 -3.981) 7.178 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.22 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 10.724 11.732 7.815) 17.712 0.957 ( 10.605 14.057 8.470) 19.540 1.264 ( 16.525 4.395 0.630) 17.111 1.386 ( 6.026 -6.635 2.952) 9.437 1.439 ( 5.041 1.687 -6.326) 8.263 1.487 ( 7.192 0.544 -3.916) 8.207 1.522 ( 7.759 -3.939 -2.892) 9.169 1.574 ( 5.867 -1.957 -7.522) 9.738 1.591 ( 11.505 1.659 -5.266) 12.761 1.751 ( 9.855 -0.087 -3.412) 10.429 1.813 ( 6.447 1.170 -0.524) 6.573 1.839 ( 4.586 -2.229 2.848) 5.840 1.866 ( 3.700 -2.922 0.545) 4.746 1.949 ( 1.494 -1.153 3.954) 4.382 2.048 ( 0.424 0.726 1.588) 1.797 2.083 ( -0.700 0.028 -1.694) 1.833 2.116 ( -0.446 -0.631 -0.041) 0.773 2.165 ( -0.465 0.102 2.941) 2.979 2.211 ( -2.471 1.547 -1.004) 3.083 2.249 ( -0.090 1.895 0.618) 1.995 2.288 ( -0.633 -0.134 0.291) 0.709 2.310 ( -0.470 0.731 6.493) 6.551 2.364 ( 0.251 0.713 4.489) 4.552 2.476 ( -1.515 -4.434 8.951) 10.104 2.578 ( -1.667 2.933 -1.116) 3.553 2.600 ( 2.612 -3.363 0.771) 4.327 2.636 ( -1.242 2.308 1.011) 2.809 2.695 ( 3.245 -5.392 0.715) 6.334 2.829 ( 1.216 -3.905 -3.621) 5.462 2.879 ( -5.666 4.885 -0.966) 7.543 2.928 ( -2.151 -1.770 0.191) 2.792 2.997 ( 0.721 -0.771 -5.646) 5.743 3.112 ( 2.646 1.917 -4.306) 5.406 3.171 ( -3.431 5.633 -6.155) 9.021 3.265 ( -0.522 -4.860 2.310) 5.407 3.412 ( 0.488 0.668 0.536) 0.986 3.432 ( -3.017 -1.624 0.844) 3.529 3.535 ( 0.128 0.760 1.218) 1.441 3.608 ( 1.589 -2.174 1.547) 3.106 3.616 ( -3.133 -2.013 1.580) 4.045 3.764 ( -3.326 1.642 0.993) 3.840 3.823 ( 1.758 0.910 3.640) 4.144 3.889 ( -3.626 1.635 -2.159) 4.526 3.975 ( -1.853 0.655 -0.789) 2.118 4.097 ( 3.526 0.200 0.752) 3.611 4.174 ( 4.887 0.292 2.931) 5.706 4.213 ( 1.911 5.076 -1.134) 5.541 4.257 ( -0.278 1.790 3.442) 3.890 4.273 ( 2.623 -0.607 1.041) 2.886 4.358 ( -0.690 2.981 -1.571) 3.439 4.415 ( 2.440 -1.811 1.604) 3.436 4.454 ( 2.384 4.547 -0.762) 5.190 4.520 ( 1.568 0.596 1.120) 2.017 4.556 ( 4.254 2.359 3.986) 6.289 4.594 ( -2.182 1.859 0.878) 2.998 4.655 ( -1.033 -3.828 1.303) 4.173 4.667 ( 2.889 3.517 -0.454) 4.574 4.713 ( 2.543 -0.072 0.179) 2.550 4.754 ( 0.970 4.640 -1.200) 4.890 4.832 ( 2.091 -3.435 0.437) 4.045 4.863 ( 0.359 -3.564 2.685) 4.477 4.916 ( 5.986 -1.093 1.829) 6.354 4.979 ( 2.568 4.184 -0.527) 4.937 5.028 ( 3.409 5.041 1.501) 6.268 5.150 ( 4.780 -0.312 -0.291) 4.799 5.179 ( 2.993 1.499 0.576) 3.396 5.239 ( 2.515 1.488 4.375) 5.261 5.310 ( 5.594 5.237 2.751) 8.141 5.399 ( 4.378 1.452 0.206) 4.617 5.451 ( 4.857 -4.289 -2.642) 6.998 5.491 ( 1.579 3.839 1.521) 4.421 5.572 ( 7.807 1.505 1.995) 8.197 5.603 ( 9.635 1.527 1.377) 9.852 5.689 ( 3.468 -1.664 1.603) 4.167 5.744 ( 8.106 2.898 -2.054) 8.851 5.775 ( 4.294 1.070 5.366) 6.955 5.853 ( 0.100 0.639 2.881) 2.952 5.862 ( 3.581 3.158 1.381) 4.971 5.972 ( 2.947 2.095 6.442) 7.387 6.019 ( -1.739 1.200 3.780) 4.330 6.073 ( -2.317 0.070 3.779) 4.433 6.166 ( -1.846 3.365 -8.136) 8.996 6.245 ( 3.334 2.674 0.887) 4.365 6.301 ( 2.592 2.525 0.667) 3.679 6.387 ( -2.641 0.621 -4.889) 5.591 6.542 ( 4.726 -0.443 -3.254) 5.755 6.562 ( 2.796 -4.953 -0.049) 5.687 6.717 ( -0.406 -9.646 -3.020) 10.116 6.856 ( 4.117 -4.686 0.848) 6.295 6.943 ( 3.753 5.007 -3.736) 7.288 6.959 ( 0.629 -10.232 9.106) 13.712 7.295 ( -4.100 -0.925 3.175) 5.267 7.433 ( -5.195 -3.417 -5.787) 8.494 7.534 ( 2.508 -8.289 3.478) 9.332 7.630 ( -0.024 0.319 -4.922) 4.932 7.704 ( 9.393 -5.730 1.961) 11.176 7.933 ( 0.073 -3.491 5.440) 6.464 7.984 ( 3.405 -1.408 -0.657) 3.743 8.140 ( -1.095 2.152 -4.221) 4.863 8.190 ( 2.795 -1.372 -0.366) 3.135 8.217 ( 4.148 8.881 1.553) 9.924 8.236 ( 1.705 2.468 -2.811) 4.111 8.332 ( 10.382 0.196 -3.463) 10.946 8.380 ( 7.784 -0.346 -0.894) 7.843 8.562 ( 7.621 -1.055 4.196) 8.764 8.601 ( 5.940 -3.736 3.678) 7.923 8.720 ( 5.484 5.940 -1.382) 8.201 8.889 ( 1.128 1.478 -1.152) 2.187 9.244 ( 11.316 -1.727 0.547) 11.460 9.298 ( -1.852 -4.345 0.437) 4.743 9.615 ( 6.194 3.793 -20.637) 21.878 9.785 ( 1.035 -1.829 -20.324) 20.432 10.530 ( 12.755 2.867 5.920) 14.351 10.654 ( 11.501 -2.333 11.892) 16.707 10.737 ( -1.284 0.032 15.675) 15.728 10.745 ( 1.616 1.947 6.574) 7.044 10.950 ( 3.447 2.011 5.737) 6.989 11.132 ( 9.059 -3.350 3.614) 10.312 11.615 ( 1.131 2.092 -24.293) 24.410 11.696 ( -2.671 0.473 -22.001) 22.168 11.919 ( 1.195 0.817 3.649) 3.926 12.046 ( -5.046 -1.014 14.311) 15.208 12.316 ( -1.200 0.238 7.528) 7.626 12.488 ( -1.194 -5.212 7.181) 8.954 12.711 ( -5.752 1.860 11.041) 12.587 12.735 ( -4.336 3.660 -12.662) 13.875 12.856 ( -6.732 -5.038 -4.167) 9.384 12.906 ( -6.461 -2.808 -3.764) 7.987 13.430 ( 5.523 3.912 6.168) 9.157 13.745 ( 7.068 -6.037 3.883) 10.074 14.080 ( 2.961 0.248 -8.559) 9.060 14.299 ( -5.617 -4.222 -9.569) 11.872 14.781 ( -1.020 5.176 13.826) 14.798 14.890 ( -6.441 8.066 6.797) 12.359 15.254 ( -0.933 2.061 -3.580) 4.235 15.267 ( -0.584 1.489 -5.313) 5.549 15.360 ( 0.076 -3.806 5.923) 7.041 15.533 ( -8.250 0.301 0.781) 8.293 15.578 ( -6.440 0.603 -0.056) 6.469 15.778 ( -4.853 -5.256 5.373) 8.947 15.977 ( -2.985 0.651 -8.018) 8.581 16.073 ( -1.691 -0.794 -3.067) 3.591 16.113 ( -1.434 -1.550 -0.042) 2.112 16.151 ( -5.235 -2.624 -2.299) 6.291 ======================= Grid point 57 (24/45) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 12.398 9.261 4.762) 16.191 1.181 ( 11.705 8.040 6.574) 15.649 1.454 ( 6.257 -1.740 -1.558) 6.679 1.494 ( 4.455 -1.694 -1.032) 4.877 1.542 ( 3.163 0.247 -2.312) 3.926 1.572 ( 3.064 -0.258 -3.301) 4.511 1.629 ( 3.989 -1.357 -5.764) 7.140 1.672 ( 4.328 -0.575 -6.773) 8.059 1.786 ( 4.342 -0.303 -0.022) 4.353 1.851 ( 0.788 1.692 3.131) 3.645 1.883 ( 3.915 0.393 -0.616) 3.983 1.890 ( -3.577 1.871 3.169) 5.132 1.978 ( 4.377 -1.369 0.734) 4.645 2.020 ( 7.160 -4.535 -0.570) 8.495 2.064 ( 1.190 -1.367 0.032) 1.813 2.090 ( 1.114 -0.143 1.449) 1.834 2.138 ( -3.563 1.184 -2.528) 4.527 2.145 ( -1.947 -1.954 1.548) 3.163 2.173 ( 6.053 1.811 -1.693) 6.541 2.248 ( -4.062 0.987 2.124) 4.689 2.273 ( 1.115 0.882 1.557) 2.108 2.350 ( -1.955 -2.096 5.024) 5.784 2.378 ( 9.238 -0.473 -1.888) 9.441 2.490 ( 2.438 0.512 9.188) 9.520 2.535 ( -1.335 2.164 1.570) 2.988 2.622 ( -0.309 1.447 3.574) 3.868 2.670 ( -1.469 -0.301 -1.959) 2.467 2.693 ( -1.007 -0.406 -0.120) 1.092 2.812 ( 5.299 -1.467 3.108) 6.316 2.844 ( 0.076 -0.038 -1.733) 1.735 2.942 ( 1.379 -2.684 -4.410) 5.343 3.034 ( 2.563 -2.365 -3.234) 4.756 3.112 ( 0.216 3.185 -3.308) 4.597 3.194 ( 2.642 1.902 -5.631) 6.504 3.249 ( -0.675 -1.483 -0.496) 1.703 3.408 ( -0.288 -4.326 2.925) 5.230 3.419 ( 0.126 5.066 1.090) 5.183 3.527 ( -0.888 0.604 0.722) 1.294 3.567 ( -1.094 1.573 2.402) 3.072 3.629 ( -0.303 -1.003 3.425) 3.582 3.697 ( -3.342 2.801 2.826) 5.197 3.794 ( -5.927 1.802 3.170) 6.959 3.854 ( 1.531 -1.740 2.894) 3.708 3.947 ( -0.804 -0.019 -1.682) 1.865 4.164 ( 2.947 -0.111 -0.150) 2.953 4.201 ( -0.396 0.449 0.943) 1.117 4.238 ( 0.061 1.880 -1.770) 2.583 4.284 ( 1.129 -0.492 0.048) 1.233 4.336 ( 3.561 3.798 0.328) 5.217 4.340 ( 0.703 1.398 0.298) 1.593 4.444 ( 0.476 -1.271 2.117) 2.515 4.493 ( 1.389 3.466 2.881) 4.716 4.520 ( -0.268 2.958 4.444) 5.345 4.541 ( -1.228 1.855 0.870) 2.389 4.584 ( -2.476 5.790 1.540) 6.483 4.646 ( -0.600 -1.631 1.206) 2.116 4.667 ( -2.458 0.883 2.937) 3.930 4.723 ( -2.476 -2.659 -0.126) 3.635 4.810 ( 1.427 -1.547 -1.501) 2.585 4.867 ( 2.333 1.439 0.485) 2.784 4.894 ( 8.403 -0.778 -1.959) 8.663 4.990 ( -0.693 -1.028 -1.571) 2.001 5.068 ( 4.903 -1.061 0.500) 5.041 5.119 ( 6.183 -0.612 -0.899) 6.278 5.197 ( -2.403 -2.812 3.728) 5.251 5.214 ( 1.157 -0.980 1.138) 1.896 5.298 ( 6.063 5.398 1.092) 8.191 5.358 ( -3.308 4.417 2.569) 6.087 5.400 ( 3.102 3.900 -0.155) 4.986 5.552 ( 1.327 -1.028 1.534) 2.274 5.578 ( 6.442 3.925 -2.870) 8.071 5.703 ( 4.046 2.586 1.633) 5.072 5.739 ( 1.772 -2.726 2.143) 3.894 5.789 ( 5.010 -0.610 0.783) 5.108 5.802 ( 3.617 3.990 4.159) 6.805 5.843 ( 3.669 1.233 4.068) 5.615 5.911 ( -1.543 1.460 3.819) 4.369 5.956 ( 4.798 -0.097 -2.681) 5.497 5.996 ( 1.983 -0.283 2.908) 3.531 6.036 ( 4.843 2.931 5.802) 8.106 6.089 ( 3.012 -2.934 2.407) 4.845 6.125 ( -1.800 2.723 -3.706) 4.938 6.252 ( -2.052 1.671 2.304) 3.509 6.371 ( 5.595 3.128 -4.826) 8.024 6.471 ( 7.086 -3.159 -1.398) 7.883 6.591 ( 0.483 -7.502 1.159) 7.606 6.688 ( 7.173 -4.124 -3.522) 8.992 6.709 ( 2.437 -3.236 4.173) 5.815 6.871 ( -0.935 -4.103 -0.362) 4.224 6.912 ( -1.722 -10.328 -7.693) 12.993 7.091 ( 4.894 0.265 1.834) 5.233 7.219 ( -3.666 0.442 1.580) 4.016 7.314 ( -3.539 4.727 -1.601) 6.118 7.552 ( -2.902 -5.143 1.543) 6.104 7.592 ( 1.272 -4.417 -2.458) 5.212 7.825 ( -3.626 -3.874 -7.962) 9.568 7.929 ( -0.279 -0.150 4.796) 4.806 8.075 ( 9.683 -2.795 -0.353) 10.084 8.161 ( 3.352 8.041 -2.646) 9.105 8.212 ( 0.937 3.129 -0.946) 3.401 8.234 ( -2.197 10.441 1.285) 10.747 8.299 ( 5.357 1.567 -1.809) 5.867 8.513 ( 6.552 0.533 -0.899) 6.635 8.587 ( 10.368 -4.180 1.614) 11.295 8.693 ( 6.228 -1.686 1.954) 6.742 8.746 ( 7.098 -2.185 4.591) 8.732 8.822 ( 2.975 0.845 1.397) 3.394 8.874 ( -2.116 0.431 0.634) 2.250 9.307 ( 4.020 0.882 1.503) 4.381 9.498 ( 13.453 -4.673 -0.456) 14.249 9.675 ( -0.227 1.354 -15.055) 15.117 9.811 ( 1.695 -2.886 -16.736) 17.067 10.750 ( 5.081 0.605 6.750) 8.470 10.770 ( 7.476 2.678 4.875) 9.318 10.781 ( 7.582 0.715 6.782) 10.197 10.944 ( 10.840 -2.999 6.962) 13.228 11.102 ( 10.182 3.429 1.930) 10.916 11.304 ( 8.161 -3.462 2.418) 9.189 11.656 ( 4.670 0.402 -17.056) 17.689 11.684 ( 3.629 0.641 -18.431) 18.796 11.857 ( -7.689 -0.652 11.476) 13.829 11.927 ( -7.566 -0.864 10.186) 12.718 12.313 ( -0.863 1.289 3.691) 4.004 12.390 ( -9.785 -1.424 7.579) 12.459 12.563 ( -8.216 2.942 0.717) 8.756 12.639 ( -4.223 1.250 -12.764) 13.503 12.698 ( -6.300 -0.798 -7.171) 9.579 12.775 ( -7.436 -0.791 -5.610) 9.348 13.584 ( 9.497 3.806 10.636) 14.759 13.861 ( 4.804 -5.454 4.085) 8.337 14.085 ( -2.177 -0.276 -3.492) 4.125 14.157 ( -8.967 -2.060 -1.751) 9.366 14.779 ( 1.176 5.920 4.856) 7.746 14.864 ( 3.722 3.289 6.701) 8.342 15.198 ( -5.322 -1.631 -9.083) 10.653 15.237 ( -4.895 -0.908 -8.438) 9.797 15.374 ( 1.508 0.930 4.555) 4.888 15.404 ( -2.372 0.144 5.511) 6.001 15.490 ( -2.681 0.664 2.058) 3.444 15.669 ( -6.025 -7.509 1.468) 9.738 15.933 ( -0.900 1.759 -1.992) 2.806 16.045 ( -1.367 -0.188 -2.354) 2.729 16.055 ( -3.890 -0.753 -1.063) 4.102 16.075 ( -2.834 -1.497 -1.157) 3.407 ======================= Grid point 58 (25/45) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 9.703 4.196 2.673) 10.904 1.395 ( 9.765 4.689 4.170) 11.607 1.518 ( -2.861 2.290 0.085) 3.665 1.538 ( 0.458 -0.597 -0.465) 0.885 1.566 ( 1.721 -2.340 -2.266) 3.684 1.611 ( -1.843 0.672 1.290) 2.348 1.672 ( -0.221 0.120 0.034) 0.254 1.690 ( 1.004 -1.934 -2.959) 3.674 1.832 ( 1.330 0.515 -0.546) 1.527 1.853 ( -1.042 -0.521 -0.417) 1.237 1.859 ( 2.428 -0.120 -3.007) 3.867 1.910 ( -1.371 0.284 -1.675) 2.183 2.026 ( 1.295 2.176 0.039) 2.532 2.045 ( -1.766 0.869 -0.588) 2.054 2.071 ( -0.429 1.380 -0.710) 1.610 2.106 ( -0.717 0.550 0.324) 0.960 2.128 ( 0.763 -0.442 1.812) 2.015 2.148 ( -1.232 0.609 -0.283) 1.403 2.178 ( 2.749 -2.506 1.494) 4.009 2.235 ( -1.529 -0.620 -0.829) 1.846 2.305 ( 2.731 -1.222 2.343) 3.800 2.348 ( 0.144 -0.183 0.204) 0.310 2.480 ( 0.841 -2.039 -1.730) 2.803 2.503 ( -1.857 -5.490 -0.512) 5.819 2.545 ( 3.228 2.125 6.775) 7.799 2.593 ( -1.554 0.838 1.576) 2.367 2.670 ( 1.454 0.445 1.620) 2.222 2.691 ( -1.378 1.529 0.987) 2.282 2.890 ( 5.933 1.202 -2.230) 6.451 2.956 ( -0.254 -1.363 -3.504) 3.768 2.988 ( 9.035 -1.149 2.636) 9.481 3.097 ( 1.439 -1.847 -1.287) 2.672 3.112 ( 0.735 3.260 -2.628) 4.251 3.186 ( -2.766 1.307 0.694) 3.136 3.265 ( 1.619 -0.790 -2.619) 3.179 3.343 ( -5.655 -1.361 0.974) 5.898 3.457 ( 2.776 3.500 2.068) 4.923 3.497 ( -1.580 3.430 2.278) 4.410 3.575 ( 1.057 0.635 -0.163) 1.244 3.611 ( -1.682 -0.878 0.093) 1.900 3.648 ( -0.395 4.045 7.912) 8.895 3.690 ( -4.066 3.878 8.953) 10.570 3.892 ( 2.253 -3.244 1.262) 4.146 3.929 ( -1.386 -2.913 -0.876) 3.343 4.190 ( 0.412 0.839 1.170) 1.498 4.201 ( -0.233 -0.181 0.103) 0.312 4.237 ( 0.764 -0.409 -2.183) 2.349 4.271 ( -1.917 -0.405 -1.772) 2.642 4.366 ( 2.070 4.585 0.619) 5.069 4.398 ( 0.452 1.953 2.474) 3.184 4.450 ( 1.291 1.146 2.902) 3.377 4.482 ( -1.367 2.508 1.546) 3.248 4.520 ( -0.122 5.536 1.754) 5.808 4.545 ( 1.846 3.205 0.899) 3.806 4.571 ( 0.428 1.075 1.107) 1.601 4.584 ( -4.527 3.273 0.602) 5.619 4.650 ( 1.361 -1.458 3.086) 3.675 4.696 ( -1.479 -0.906 0.840) 1.927 4.808 ( 1.078 -1.969 -2.295) 3.211 4.865 ( -3.095 1.026 -2.798) 4.297 4.991 ( 1.838 -3.294 3.581) 5.201 5.032 ( -0.531 -1.115 2.287) 2.599 5.137 ( 5.879 0.419 -2.446) 6.381 5.168 ( 1.878 -6.454 1.839) 6.968 5.189 ( -0.570 -1.690 1.212) 2.156 5.256 ( 3.257 1.130 -2.921) 4.519 5.295 ( -2.658 -2.161 -0.501) 3.462 5.370 ( -4.118 -2.213 -2.809) 5.454 5.477 ( 8.795 4.615 2.072) 10.146 5.573 ( 1.884 4.903 4.125) 6.678 5.657 ( 0.688 2.169 -1.219) 2.582 5.739 ( -3.585 3.921 1.099) 5.425 5.771 ( 0.686 1.737 1.763) 2.568 5.817 ( -0.853 1.282 0.571) 1.642 5.826 ( 2.313 0.825 3.564) 4.328 5.878 ( 2.339 -2.302 1.462) 3.593 5.942 ( 2.947 1.667 3.258) 4.698 5.983 ( -0.510 1.024 -2.682) 2.915 6.056 ( 2.418 0.201 1.070) 2.652 6.071 ( -0.757 2.565 -1.111) 2.896 6.090 ( 0.524 1.475 3.135) 3.504 6.118 ( -2.950 1.738 -0.788) 3.513 6.295 ( 5.154 -5.948 5.897) 9.834 6.391 ( -4.779 -11.130 8.779) 14.960 6.554 ( 6.954 3.775 -3.314) 8.578 6.674 ( -4.207 -0.688 0.186) 4.267 6.728 ( 8.174 -1.672 -6.401) 10.515 6.843 ( -3.633 -6.444 -1.874) 7.631 6.863 ( 8.291 -2.436 -0.579) 8.661 6.930 ( 4.497 -4.440 -8.518) 10.606 7.061 ( -5.360 -3.362 -0.795) 6.376 7.105 ( -7.055 -3.967 -4.510) 9.266 7.383 ( 7.421 6.270 5.921) 11.378 7.502 ( -3.391 -2.057 4.089) 5.696 7.625 ( 1.959 -5.369 -2.094) 6.087 7.699 ( -6.051 -3.443 -5.628) 8.952 7.970 ( 4.892 6.891 4.239) 9.455 8.096 ( -6.782 10.984 1.122) 12.958 8.188 ( 0.902 10.376 -3.089) 10.863 8.200 ( -0.777 7.434 -3.900) 8.431 8.368 ( 11.097 -4.662 2.254) 12.246 8.461 ( 8.751 -3.317 -1.091) 9.421 8.547 ( -1.608 -3.536 3.095) 4.967 8.694 ( -8.105 -6.211 -2.367) 10.482 8.743 ( 5.201 1.267 2.391) 5.863 8.802 ( 0.050 1.159 3.649) 3.829 8.853 ( 3.200 -0.855 2.966) 4.447 8.881 ( 0.259 -0.275 2.084) 2.118 9.450 ( 9.223 3.043 -2.107) 9.938 9.609 ( -6.177 1.912 -8.416) 10.613 9.724 ( 8.808 -6.113 -5.859) 12.218 9.824 ( -1.492 -5.226 -12.672) 13.788 10.855 ( 4.193 1.361 1.516) 4.662 10.890 ( 7.249 0.265 -0.331) 7.262 10.897 ( 1.381 2.750 -0.145) 3.081 11.012 ( -3.321 -1.240 -1.290) 3.773 11.353 ( 14.905 1.770 8.330) 17.166 11.487 ( 11.576 -3.215 3.432) 12.494 11.638 ( -13.097 0.729 13.373) 18.733 11.730 ( -11.332 -2.648 8.509) 14.416 11.839 ( 12.510 0.422 -8.116) 14.918 11.871 ( 13.308 -0.970 -7.407) 15.262 12.131 ( -15.514 -0.059 0.714) 15.531 12.152 ( -14.128 -0.555 2.355) 14.333 12.524 ( 3.489 3.509 -8.122) 9.511 12.595 ( -1.473 0.327 -6.702) 6.870 12.616 ( -2.333 1.275 -6.981) 7.470 12.643 ( -5.244 0.961 -6.456) 8.373 13.775 ( 9.885 2.070 10.057) 14.253 13.942 ( 3.841 -3.984 3.091) 6.339 13.968 ( -9.900 0.300 5.230) 11.201 14.020 ( -3.996 -1.694 0.378) 4.357 14.852 ( 6.342 4.688 0.515) 7.904 14.966 ( 2.769 0.477 -0.033) 2.810 15.043 ( -5.322 1.824 -2.182) 6.034 15.130 ( -6.306 -1.492 -4.997) 8.184 15.407 ( 1.114 0.058 3.480) 3.654 15.415 ( 1.396 -0.231 2.171) 2.592 15.472 ( 1.606 -0.160 0.930) 1.863 15.554 ( -5.560 -4.557 -0.843) 7.238 15.945 ( 1.936 0.499 -0.068) 2.000 15.996 ( -2.764 -0.368 -0.691) 2.873 16.018 ( -1.011 -0.723 -1.520) 1.964 16.025 ( -1.555 -0.587 -1.805) 2.453 ======================= Grid point 63 (26/45) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 0.000 -9.852 7.609) 12.448 0.792 ( 0.000 9.852 7.609) 12.448 0.951 ( 0.000 -11.334 8.761) 14.325 0.951 ( 0.000 11.334 8.761) 14.325 1.216 ( 0.000 -8.727 -4.096) 9.640 1.216 ( 0.000 8.727 -4.096) 9.640 1.351 ( 0.000 -3.458 -1.363) 3.717 1.351 ( 0.000 3.458 -1.363) 3.717 1.580 ( 0.000 -2.239 -6.472) 6.848 1.580 ( 0.000 2.239 -6.472) 6.848 1.652 ( 0.000 -8.083 -7.246) 10.855 1.652 ( 0.000 8.083 -7.246) 10.855 1.806 ( 0.000 -0.192 4.397) 4.401 1.806 ( 0.000 0.192 4.397) 4.401 2.058 ( 0.000 -1.658 0.291) 1.683 2.058 ( 0.000 1.658 0.291) 1.683 2.127 ( 0.000 -1.035 6.769) 6.848 2.127 ( 0.000 1.035 6.769) 6.848 2.322 ( 0.000 -1.437 2.552) 2.929 2.322 ( 0.000 1.437 2.552) 2.929 2.368 ( 0.000 -1.556 -5.283) 5.507 2.368 ( 0.000 1.556 -5.283) 5.507 2.454 ( 0.000 -0.743 0.675) 1.004 2.454 ( 0.000 0.743 0.675) 1.004 2.532 ( 0.000 -1.806 -2.312) 2.934 2.532 ( 0.000 1.806 -2.312) 2.934 2.595 ( 0.000 -2.883 -2.907) 4.094 2.595 ( 0.000 2.883 -2.907) 4.094 2.859 ( 0.000 -2.896 8.161) 8.659 2.859 ( 0.000 2.896 8.161) 8.659 3.069 ( 0.000 -0.288 -2.299) 2.317 3.069 ( 0.000 0.288 -2.299) 2.317 3.124 ( 0.000 -4.530 2.983) 5.424 3.124 ( 0.000 4.530 2.983) 5.424 3.332 ( 0.000 -2.499 -0.115) 2.502 3.332 ( 0.000 2.499 -0.115) 2.502 3.557 ( 0.000 -2.031 -0.249) 2.046 3.557 ( 0.000 2.031 -0.249) 2.046 3.675 ( 0.000 -0.638 -0.556) 0.847 3.675 ( 0.000 0.638 -0.556) 0.847 3.801 ( 0.000 -0.356 -0.164) 0.393 3.801 ( 0.000 0.356 -0.164) 0.393 3.967 ( 0.000 -0.001 -2.117) 2.117 3.967 ( 0.000 0.001 -2.117) 2.117 4.076 ( 0.000 -2.163 2.691) 3.453 4.076 ( 0.000 2.163 2.691) 3.453 4.106 ( 0.000 -1.983 -1.114) 2.275 4.106 ( 0.000 1.983 -1.114) 2.275 4.332 ( 0.000 -0.434 -0.007) 0.434 4.332 ( 0.000 0.434 -0.007) 0.434 4.433 ( 0.000 -4.482 2.386) 5.077 4.433 ( 0.000 4.482 2.386) 5.077 4.498 ( 0.000 -3.405 -2.696) 4.344 4.498 ( 0.000 3.405 -2.696) 4.344 4.591 ( 0.000 -0.483 2.123) 2.178 4.591 ( 0.000 0.483 2.123) 2.178 4.648 ( 0.000 -1.491 1.392) 2.040 4.648 ( 0.000 1.491 1.392) 2.040 4.684 ( 0.000 -1.241 1.047) 1.623 4.684 ( 0.000 1.241 1.047) 1.623 4.836 ( 0.000 -1.101 3.251) 3.432 4.836 ( 0.000 1.101 3.251) 3.432 4.946 ( 0.000 -3.568 0.802) 3.657 4.946 ( 0.000 3.568 0.802) 3.657 5.027 ( 0.000 -5.929 7.251) 9.366 5.027 ( 0.000 5.929 7.251) 9.366 5.240 ( 0.000 -1.699 -2.202) 2.782 5.240 ( 0.000 1.699 -2.202) 2.782 5.301 ( 0.000 -4.944 0.438) 4.964 5.301 ( 0.000 4.944 0.438) 4.964 5.358 ( 0.000 -6.448 -2.010) 6.754 5.358 ( 0.000 6.448 -2.010) 6.754 5.573 ( 0.000 -1.921 0.776) 2.072 5.573 ( 0.000 1.921 0.776) 2.072 5.639 ( 0.000 -5.150 -3.903) 6.462 5.639 ( 0.000 5.150 -3.903) 6.462 5.795 ( 0.000 -2.675 2.448) 3.626 5.795 ( 0.000 2.675 2.448) 3.626 6.011 ( 0.000 -6.668 1.876) 6.927 6.011 ( 0.000 6.668 1.876) 6.927 6.162 ( 0.000 -4.818 2.716) 5.530 6.162 ( 0.000 4.818 2.716) 5.530 6.458 ( 0.000 -3.447 -8.785) 9.437 6.458 ( 0.000 3.447 -8.785) 9.437 6.487 ( 0.000 -3.455 -3.636) 5.016 6.487 ( 0.000 3.455 -3.636) 5.016 6.601 ( 0.000 -4.277 -2.031) 4.735 6.601 ( 0.000 4.277 -2.031) 4.735 6.777 ( 0.000 -7.548 9.652) 12.253 6.777 ( 0.000 7.548 9.652) 12.253 6.936 ( 0.000 -14.198 7.054) 15.854 6.936 ( 0.000 14.198 7.054) 15.854 7.388 ( 0.000 -5.383 6.677) 8.577 7.388 ( 0.000 5.383 6.677) 8.577 7.582 ( 0.000 -0.310 -3.508) 3.522 7.582 ( 0.000 0.310 -3.508) 3.522 7.828 ( 0.000 -2.900 4.396) 5.266 7.828 ( 0.000 2.900 4.396) 5.266 8.101 ( 0.000 -5.609 6.882) 8.879 8.101 ( 0.000 5.609 6.882) 8.879 8.119 ( 0.000 -0.670 -4.738) 4.785 8.119 ( 0.000 0.670 -4.738) 4.785 8.270 ( 0.000 -1.742 2.148) 2.766 8.270 ( 0.000 1.742 2.148) 2.766 8.367 ( 0.000 -2.139 -1.148) 2.428 8.367 ( 0.000 2.139 -1.148) 2.428 8.756 ( 0.000 -6.866 -15.235) 16.710 8.756 ( 0.000 6.866 -15.235) 16.710 9.188 ( 0.000 -8.031 1.686) 8.206 9.188 ( 0.000 8.031 1.686) 8.206 9.635 ( 0.000 -8.009 -22.562) 23.941 9.635 ( 0.000 8.009 -22.562) 23.941 10.273 ( 0.000 -1.936 11.698) 11.857 10.273 ( 0.000 1.936 11.698) 11.857 10.833 ( 0.000 -5.921 -3.737) 7.001 10.833 ( 0.000 5.921 -3.737) 7.001 11.273 ( 0.000 -9.342 0.906) 9.386 11.273 ( 0.000 9.342 0.906) 9.386 11.451 ( 0.000 -8.176 3.484) 8.887 11.451 ( 0.000 8.176 3.484) 8.887 11.874 ( 0.000 -2.997 -0.587) 3.054 11.874 ( 0.000 2.997 -0.587) 3.054 12.350 ( 0.000 -2.045 16.949) 17.072 12.350 ( 0.000 2.045 16.949) 17.072 12.742 ( 0.000 -1.352 7.876) 7.991 12.742 ( 0.000 1.352 7.876) 7.991 12.996 ( 0.000 -5.618 0.831) 5.679 12.996 ( 0.000 5.618 0.831) 5.679 13.416 ( 0.000 -3.195 0.866) 3.310 13.416 ( 0.000 3.195 0.866) 3.310 14.182 ( 0.000 -11.536 -19.090) 22.305 14.182 ( 0.000 11.536 -19.090) 22.305 15.048 ( 0.000 -10.298 11.715) 15.598 15.048 ( 0.000 10.298 11.715) 15.598 15.180 ( 0.000 -2.102 4.002) 4.521 15.180 ( 0.000 2.102 4.002) 4.521 15.772 ( 0.000 -0.637 -0.603) 0.878 15.772 ( 0.000 0.637 -0.603) 0.878 15.800 ( 0.000 -1.171 -0.610) 1.320 15.800 ( 0.000 1.171 -0.610) 1.320 16.074 ( 0.000 -0.420 -1.724) 1.775 16.074 ( 0.000 0.420 -1.724) 1.775 16.147 ( 0.000 -9.065 -7.186) 11.568 16.147 ( 0.000 9.065 -7.186) 11.568 ======================= Grid point 65 (27/45) ======================= q-point: ( 0.11 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 11.607 -8.666 6.232) 15.769 0.989 ( 11.607 8.666 6.232) 15.769 1.038 ( 12.016 -5.507 7.155) 15.030 1.038 ( 12.016 5.507 7.155) 15.030 1.265 ( 5.337 -10.727 -1.251) 12.046 1.265 ( 5.337 10.727 -1.251) 12.046 1.395 ( 4.761 -1.720 -2.476) 5.635 1.395 ( 4.761 1.720 -2.476) 5.635 1.622 ( 4.108 -1.387 -6.708) 7.987 1.622 ( 4.108 1.387 -6.708) 7.987 1.674 ( 2.472 -6.613 -6.563) 9.639 1.674 ( 2.472 6.613 -6.563) 9.639 1.830 ( 2.171 -2.199 4.148) 5.172 1.830 ( 2.171 2.199 4.148) 5.172 2.070 ( 0.947 -1.925 -0.689) 2.253 2.070 ( 0.947 1.925 -0.689) 2.253 2.130 ( 0.261 -1.265 6.767) 6.889 2.130 ( 0.261 1.265 6.767) 6.889 2.284 ( -2.522 -1.188 3.568) 4.528 2.284 ( -2.522 1.188 3.568) 4.528 2.341 ( -2.630 -1.876 -2.587) 4.139 2.341 ( -2.630 1.876 -2.587) 4.139 2.453 ( 0.116 -4.296 -1.291) 4.487 2.453 ( 0.116 4.296 -1.291) 4.487 2.503 ( -1.128 -3.474 -0.390) 3.673 2.503 ( -1.128 3.474 -0.390) 3.673 2.670 ( 4.361 -5.293 -3.109) 7.530 2.670 ( 4.361 5.293 -3.109) 7.530 2.822 ( -2.618 -5.935 5.935) 8.792 2.822 ( -2.618 5.935 5.935) 8.792 3.052 ( -2.619 -2.731 -2.201) 4.378 3.052 ( -2.619 2.731 -2.201) 4.378 3.133 ( 1.410 -4.543 1.186) 4.902 3.133 ( 1.410 4.543 1.186) 4.902 3.335 ( 0.071 -3.754 -0.506) 3.788 3.335 ( 0.071 3.754 -0.506) 3.788 3.522 ( -3.048 -2.841 -0.918) 4.267 3.522 ( -3.048 2.841 -0.918) 4.267 3.621 ( -3.599 -2.701 -1.371) 4.704 3.621 ( -3.599 2.701 -1.371) 4.704 3.815 ( 0.749 -1.161 0.663) 1.532 3.815 ( 0.749 1.161 0.663) 1.532 3.988 ( -0.443 -1.938 -3.967) 4.437 3.988 ( -0.443 1.938 -3.967) 4.437 4.063 ( 2.234 -1.673 6.127) 6.733 4.063 ( 2.234 1.673 6.127) 6.733 4.200 ( 6.284 -2.334 0.499) 6.723 4.200 ( 6.284 2.334 0.499) 6.723 4.329 ( -2.454 -2.219 4.350) 5.465 4.329 ( -2.454 2.219 4.350) 5.465 4.401 ( 3.163 -1.785 -2.440) 4.375 4.401 ( 3.163 1.785 -2.440) 4.375 4.570 ( -0.221 -3.957 -0.681) 4.021 4.570 ( -0.221 3.957 -0.681) 4.021 4.614 ( 4.307 -4.683 -1.377) 6.510 4.614 ( 4.307 4.683 -1.377) 6.510 4.682 ( 2.266 -3.052 2.056) 4.322 4.682 ( 2.266 3.052 2.056) 4.322 4.709 ( 2.156 -2.888 0.898) 3.714 4.709 ( 2.156 2.888 0.898) 3.714 4.813 ( 0.246 -1.858 3.739) 4.183 4.813 ( 0.246 1.858 3.739) 4.183 5.004 ( 4.041 -2.475 -0.294) 4.748 5.004 ( 4.041 2.475 -0.294) 4.748 5.092 ( 5.616 -4.573 7.224) 10.229 5.092 ( 5.616 4.573 7.224) 10.229 5.219 ( 0.554 -4.945 -1.316) 5.147 5.219 ( 0.554 4.945 -1.316) 5.147 5.329 ( 2.697 -1.487 3.205) 4.445 5.329 ( 2.697 1.487 3.205) 4.445 5.456 ( 7.896 -6.319 -2.943) 10.533 5.456 ( 7.896 6.319 -2.943) 10.533 5.612 ( 3.098 -2.976 0.587) 4.336 5.612 ( 3.098 2.976 0.587) 4.336 5.649 ( 1.062 -2.506 -1.543) 3.129 5.649 ( 1.062 2.506 -1.543) 3.129 5.842 ( 3.585 -2.508 1.891) 4.766 5.842 ( 3.585 2.508 1.891) 4.766 5.988 ( -0.509 -5.542 3.280) 6.460 5.988 ( -0.509 5.542 3.280) 6.460 6.177 ( 1.784 -4.501 1.703) 5.133 6.177 ( 1.784 4.501 1.703) 5.133 6.406 ( -5.217 -4.488 -8.684) 11.080 6.406 ( -5.217 4.488 -8.684) 11.080 6.458 ( -3.401 -8.028 -2.054) 8.958 6.458 ( -3.401 8.028 -2.054) 8.958 6.559 ( -1.505 -4.194 -1.421) 4.677 6.559 ( -1.505 4.194 -1.421) 4.677 6.753 ( 0.237 -7.522 7.415) 10.565 6.753 ( 0.237 7.522 7.415) 10.565 7.092 ( 9.451 -11.703 3.881) 15.535 7.092 ( 9.451 11.703 3.881) 15.535 7.367 ( -1.592 -2.848 6.093) 6.912 7.367 ( -1.592 2.848 6.093) 6.912 7.609 ( 2.317 -2.079 -5.222) 6.080 7.609 ( 2.317 2.079 -5.222) 6.080 7.834 ( 2.013 -1.204 5.423) 5.908 7.834 ( 2.013 1.204 5.423) 5.908 8.109 ( 3.345 -0.659 1.283) 3.642 8.109 ( 3.345 0.659 1.283) 3.642 8.188 ( 4.183 -2.147 -1.851) 5.053 8.188 ( 4.183 2.147 -1.851) 5.053 8.313 ( 1.987 -2.289 -0.160) 3.035 8.313 ( 1.987 2.289 -0.160) 3.035 8.406 ( 4.973 -5.221 0.856) 7.262 8.406 ( 4.973 5.221 0.856) 7.262 8.797 ( 3.816 -5.938 -11.401) 13.408 8.797 ( 3.816 5.938 -11.401) 13.408 9.181 ( -0.064 -6.437 2.201) 6.803 9.181 ( -0.064 6.437 2.201) 6.803 9.666 ( 2.661 -6.821 -22.849) 23.994 9.666 ( 2.661 6.821 -22.849) 23.994 10.365 ( 9.023 -2.347 10.749) 14.229 10.365 ( 9.023 2.347 10.749) 14.229 10.854 ( -0.097 -5.869 -0.445) 5.887 10.854 ( -0.097 5.869 -0.445) 5.887 10.995 ( -11.016 -4.897 13.896) 18.396 10.995 ( -11.016 4.897 13.896) 18.396 11.649 ( 5.836 -6.452 -18.756) 20.675 11.649 ( 5.836 6.452 -18.756) 20.675 11.931 ( 5.165 -6.355 5.330) 9.771 11.931 ( 5.165 6.355 5.330) 9.771 12.348 ( -0.007 -2.057 11.672) 11.852 12.348 ( -0.007 2.057 11.672) 11.852 12.771 ( 2.190 -1.915 8.877) 9.342 12.771 ( 2.190 1.915 8.877) 9.342 12.945 ( -4.999 -5.387 -1.057) 7.425 12.945 ( -4.999 5.387 -1.057) 7.425 13.461 ( 4.493 -5.775 3.156) 7.968 13.461 ( 4.493 5.775 3.156) 7.968 14.181 ( -0.129 -10.167 -16.957) 19.772 14.181 ( -0.129 10.167 -16.957) 19.772 14.999 ( -4.100 -8.522 10.731) 14.303 14.999 ( -4.100 8.522 10.731) 14.303 15.217 ( 2.841 -1.672 3.233) 4.617 15.217 ( 2.841 1.672 3.233) 4.617 15.637 ( -10.790 -6.638 -0.869) 12.698 15.637 ( -10.790 6.638 -0.869) 12.698 15.764 ( -4.631 -4.255 -0.305) 6.296 15.764 ( -4.631 4.255 -0.305) 6.296 16.077 ( 0.094 -1.961 -1.472) 2.454 16.077 ( 0.094 1.961 -1.472) 2.454 16.125 ( -2.207 -6.324 -5.331) 8.561 16.125 ( -2.207 6.324 -5.331) 8.561 ======================= Grid point 67 (28/45) ======================= q-point: ( 0.22 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 8.926 -11.197 6.252) 15.625 1.161 ( 8.926 11.197 6.252) 15.625 1.251 ( 6.805 -9.244 2.757) 11.805 1.251 ( 6.805 9.244 2.757) 11.805 1.461 ( 8.527 -2.775 -0.505) 8.982 1.461 ( 8.527 2.775 -0.505) 8.982 1.528 ( 10.295 -1.407 -5.892) 11.945 1.528 ( 10.295 1.407 -5.892) 11.945 1.709 ( 5.268 -8.249 -4.050) 10.592 1.709 ( 5.268 8.249 -4.050) 10.592 1.781 ( 8.194 -1.544 -2.293) 8.647 1.781 ( 8.194 1.544 -2.293) 8.647 1.880 ( 2.848 -3.718 2.728) 5.420 1.880 ( 2.848 3.718 2.728) 5.420 2.090 ( 1.403 -1.690 -1.712) 2.785 2.090 ( 1.403 1.690 -1.712) 2.785 2.113 ( -2.062 -2.695 4.250) 5.438 2.113 ( -2.062 2.695 4.250) 5.438 2.273 ( -1.306 -2.746 1.423) 3.357 2.273 ( -1.306 2.746 1.423) 3.357 2.295 ( 0.712 -1.123 3.552) 3.793 2.295 ( 0.712 1.123 3.552) 3.793 2.422 ( -3.239 -3.539 1.062) 4.913 2.422 ( -3.239 3.539 1.062) 4.913 2.522 ( 3.431 -2.307 0.144) 4.136 2.522 ( 3.431 2.307 0.144) 4.136 2.716 ( -0.118 -5.799 -1.149) 5.913 2.716 ( -0.118 5.799 -1.149) 5.913 2.805 ( 1.390 -7.550 2.664) 8.126 2.805 ( 1.390 7.550 2.664) 8.126 2.969 ( -5.293 -2.689 -3.430) 6.856 2.969 ( -5.293 2.689 -3.430) 6.856 3.170 ( 2.336 -3.414 -0.909) 4.235 3.170 ( 2.336 3.414 -0.909) 4.235 3.310 ( -2.322 -6.400 -2.589) 7.283 3.310 ( -2.322 6.400 -2.589) 7.283 3.507 ( 1.624 -4.311 0.723) 4.663 3.507 ( 1.624 4.311 0.723) 4.663 3.571 ( -1.167 -1.135 -0.267) 1.650 3.571 ( -1.167 1.135 -0.267) 1.650 3.812 ( -1.110 -1.906 1.667) 2.765 3.812 ( -1.110 1.906 1.667) 2.765 3.946 ( -2.754 -2.775 -0.922) 4.017 3.946 ( -2.754 2.775 -0.922) 4.017 4.135 ( 3.548 -2.890 3.782) 5.937 4.135 ( 3.548 2.890 3.782) 5.937 4.269 ( 0.239 -0.190 1.454) 1.486 4.269 ( 0.239 0.190 1.454) 1.486 4.329 ( 2.806 -4.093 2.859) 5.727 4.329 ( 2.806 4.093 2.859) 5.727 4.483 ( 3.170 -4.028 -3.787) 6.373 4.483 ( 3.170 4.028 -3.787) 6.373 4.552 ( -0.319 -4.021 1.337) 4.250 4.552 ( -0.319 4.021 1.337) 4.250 4.640 ( -0.909 -1.110 0.312) 1.468 4.640 ( -0.909 1.110 0.312) 1.468 4.697 ( 0.158 -4.651 2.105) 5.108 4.697 ( 0.158 4.651 2.105) 5.108 4.768 ( 3.299 -2.981 3.476) 5.644 4.768 ( 3.299 2.981 3.476) 5.644 4.882 ( 4.520 -3.649 -1.172) 5.926 4.882 ( 4.520 3.649 -1.172) 5.926 5.060 ( 1.937 -2.341 -2.864) 4.175 5.060 ( 1.937 2.341 -2.864) 4.175 5.173 ( 1.343 -3.101 6.366) 7.207 5.173 ( 1.343 3.101 6.366) 7.207 5.292 ( 5.891 -6.569 1.187) 8.903 5.292 ( 5.891 6.569 1.187) 8.903 5.424 ( 6.209 -2.484 4.320) 7.962 5.424 ( 6.209 2.484 4.320) 7.962 5.581 ( 3.766 -5.440 -4.329) 7.907 5.581 ( 3.766 5.440 -4.329) 7.907 5.640 ( 4.229 -2.975 1.395) 5.355 5.640 ( 4.229 2.975 1.395) 5.355 5.764 ( 8.487 -1.597 0.620) 8.658 5.764 ( 8.487 1.597 0.620) 8.658 5.903 ( 2.155 -1.111 4.972) 5.531 5.903 ( 2.155 1.111 4.972) 5.531 5.996 ( 0.391 -2.203 6.485) 6.860 5.996 ( 0.391 2.203 6.485) 6.860 6.213 ( 0.304 -6.278 3.933) 7.414 6.213 ( 0.304 6.278 3.933) 7.414 6.294 ( -5.251 -8.153 -6.937) 11.923 6.294 ( -5.251 8.153 -6.937) 11.923 6.429 ( 2.147 -8.085 -5.008) 9.749 6.429 ( 2.147 8.085 -5.008) 9.749 6.561 ( 2.340 -1.282 -1.051) 2.868 6.561 ( 2.340 1.282 -1.051) 2.868 6.771 ( 0.726 -2.827 2.768) 4.022 6.771 ( 0.726 2.827 2.768) 4.022 7.180 ( -0.584 -11.777 -2.148) 11.986 7.180 ( -0.584 11.777 -2.148) 11.986 7.401 ( 5.993 -5.359 4.793) 9.360 7.401 ( 5.993 5.359 4.793) 9.360 7.615 ( -1.946 -1.484 -3.085) 3.938 7.615 ( -1.946 1.484 -3.085) 3.938 7.936 ( 5.936 -3.023 0.058) 6.662 7.936 ( 5.936 3.023 0.058) 6.662 8.167 ( 1.686 -0.834 -5.850) 6.145 8.167 ( 1.686 0.834 -5.850) 6.145 8.276 ( 6.093 -2.501 1.670) 6.795 8.276 ( 6.093 2.501 1.670) 6.795 8.393 ( 6.870 -2.680 -1.477) 7.521 8.393 ( 6.870 2.680 -1.477) 7.521 8.536 ( 7.645 -1.026 4.783) 9.076 8.536 ( 7.645 1.026 4.783) 9.076 8.856 ( 1.012 -5.020 -3.848) 6.406 8.856 ( 1.012 5.020 -3.848) 6.406 9.225 ( 5.359 -0.999 3.017) 6.231 9.225 ( 5.359 0.999 3.017) 6.231 9.714 ( 1.898 -4.489 -20.502) 21.073 9.714 ( 1.898 4.489 -20.502) 21.073 10.592 ( 13.181 -2.869 9.134) 16.291 10.592 ( 13.181 2.869 9.134) 16.291 10.760 ( -2.794 -1.362 13.938) 14.280 10.760 ( -2.794 1.362 13.938) 14.280 11.029 ( 7.859 -5.230 1.645) 9.583 11.029 ( 7.859 5.230 1.645) 9.583 11.673 ( -1.173 -2.503 -23.800) 23.960 11.673 ( -1.173 2.503 -23.800) 23.960 11.980 ( -1.447 -4.246 9.421) 10.434 11.980 ( -1.447 4.246 9.421) 10.434 12.363 ( 1.433 -4.493 3.786) 6.048 12.363 ( 1.433 4.493 3.786) 6.048 12.764 ( -5.140 -3.106 7.426) 9.550 12.764 ( -5.140 3.106 7.426) 9.550 12.828 ( -5.344 -4.231 -7.381) 10.047 12.828 ( -5.344 4.231 -7.381) 10.047 13.577 ( 6.881 -8.316 7.215) 12.983 13.577 ( 6.881 8.316 7.215) 12.983 14.170 ( -1.442 -6.274 -11.091) 12.824 14.170 ( -1.442 6.274 -11.091) 12.824 14.917 ( -3.587 -5.284 8.334) 10.500 14.917 ( -3.587 5.284 8.334) 10.500 15.260 ( 0.479 -0.511 -2.267) 2.373 15.260 ( 0.479 0.511 -2.267) 2.373 15.438 ( -7.545 -7.428 1.741) 10.731 15.438 ( -7.545 7.428 1.741) 10.731 15.647 ( -6.596 -4.835 0.673) 8.206 15.647 ( -6.596 4.835 0.673) 8.206 16.057 ( -2.888 -4.646 -2.365) 5.960 16.057 ( -2.888 4.646 -2.365) 5.960 16.081 ( -1.327 -1.734 -1.699) 2.766 16.081 ( -1.327 1.734 -1.699) 2.766 ======================= Grid point 69 (29/45) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 8.301 -6.579 3.559) 11.174 1.333 ( 8.301 6.579 3.559) 11.174 1.380 ( 6.825 -6.476 2.430) 9.717 1.380 ( 6.825 6.476 2.430) 9.717 1.558 ( 3.240 -1.020 -2.721) 4.353 1.558 ( 3.240 1.020 -2.721) 4.353 1.655 ( 2.778 -1.489 -6.764) 7.463 1.655 ( 2.778 1.489 -6.764) 7.463 1.828 ( 4.060 -4.017 1.238) 5.844 1.828 ( 4.060 4.017 1.238) 5.844 1.892 ( -0.271 -0.655 1.574) 1.726 1.892 ( -0.271 0.655 1.574) 1.726 1.962 ( 7.055 -0.482 0.384) 7.081 1.962 ( 7.055 0.482 0.384) 7.081 2.085 ( 0.139 -1.094 3.362) 3.538 2.085 ( 0.139 1.094 3.362) 3.538 2.124 ( 0.736 -1.569 -2.554) 3.086 2.124 ( 0.736 1.569 -2.554) 3.086 2.269 ( 2.057 -4.785 0.491) 5.231 2.269 ( 2.057 4.785 0.491) 5.231 2.294 ( -1.823 -2.306 -0.128) 2.943 2.294 ( -1.823 2.306 -0.128) 2.943 2.374 ( -0.869 -5.884 -1.193) 6.067 2.374 ( -0.869 5.884 -1.193) 6.067 2.635 ( 4.900 -2.509 5.829) 8.017 2.635 ( 4.900 2.509 5.829) 8.017 2.679 ( -1.047 -4.159 4.428) 6.165 2.679 ( -1.047 4.159 4.428) 6.165 2.838 ( 0.680 -3.058 -2.711) 4.143 2.838 ( 0.680 3.058 -2.711) 4.143 2.917 ( 2.390 -2.727 -1.570) 3.951 2.917 ( 2.390 2.727 -1.570) 3.951 3.216 ( 1.502 -0.081 -2.196) 2.662 3.216 ( 1.502 0.081 -2.196) 2.662 3.277 ( -0.611 -6.859 -2.539) 7.339 3.277 ( -0.611 6.859 -2.539) 7.339 3.523 ( -0.095 -2.708 1.861) 3.287 3.523 ( -0.095 2.708 1.861) 3.287 3.584 ( 1.368 -1.791 0.251) 2.268 3.584 ( 1.368 1.791 0.251) 2.268 3.781 ( -1.552 -4.176 3.486) 5.657 3.781 ( -1.552 4.176 3.486) 5.657 3.886 ( -3.527 -4.983 2.108) 6.458 3.886 ( -3.527 4.983 2.108) 6.458 4.188 ( 1.750 -1.910 -0.343) 2.613 4.188 ( 1.750 1.910 -0.343) 2.613 4.261 ( -0.539 -1.050 -0.572) 1.312 4.261 ( -0.539 1.050 -0.572) 1.312 4.378 ( 2.105 -3.288 3.141) 5.011 4.378 ( 2.105 3.288 3.141) 5.011 4.504 ( 0.162 -7.019 -0.980) 7.089 4.504 ( 0.162 7.019 -0.980) 7.089 4.565 ( 1.109 -0.265 3.292) 3.484 4.565 ( 1.109 0.265 3.292) 3.484 4.603 ( -2.435 -3.065 1.458) 4.177 4.603 ( -2.435 3.065 1.458) 4.177 4.715 ( 1.019 -1.913 -0.640) 2.260 4.715 ( 1.019 1.913 -0.640) 2.260 4.824 ( 1.287 -4.327 0.461) 4.538 4.824 ( 1.287 4.327 0.461) 4.538 4.943 ( 3.034 -4.755 0.292) 5.648 4.943 ( 3.034 4.755 0.292) 5.648 5.087 ( 0.982 -3.519 -3.186) 4.848 5.087 ( 0.982 3.519 -3.186) 4.848 5.154 ( -2.059 -2.663 5.524) 6.468 5.154 ( -2.059 2.663 5.524) 6.468 5.381 ( 1.488 -2.814 -1.388) 3.472 5.381 ( 1.488 2.814 -1.388) 3.472 5.532 ( 5.290 -6.805 3.262) 9.216 5.532 ( 5.290 6.805 3.262) 9.216 5.661 ( 4.690 -4.602 -3.751) 7.566 5.661 ( 4.690 4.602 -3.751) 7.566 5.761 ( 6.446 -2.856 1.672) 7.246 5.761 ( 6.446 2.856 1.672) 7.246 5.875 ( -1.701 -3.452 5.363) 6.601 5.875 ( -1.701 3.452 5.363) 6.601 5.947 ( 4.191 -4.453 7.903) 9.993 5.947 ( 4.191 4.453 7.903) 9.993 5.996 ( 2.129 -1.912 0.714) 2.949 5.996 ( 2.129 1.912 0.714) 2.949 6.184 ( -2.543 -7.484 2.975) 8.445 6.184 ( -2.543 7.484 2.975) 8.445 6.226 ( -2.136 -1.505 2.549) 3.651 6.226 ( -2.136 1.505 2.549) 3.651 6.528 ( 7.128 -4.043 -7.126) 10.859 6.528 ( 7.128 4.043 -7.126) 10.859 6.651 ( 5.561 -3.483 -0.244) 6.566 6.651 ( 5.561 3.483 -0.244) 6.566 6.780 ( 0.970 -2.520 -2.282) 3.535 6.780 ( 0.970 2.520 -2.282) 3.535 7.137 ( -3.555 -4.841 -3.878) 7.149 7.137 ( -3.555 4.841 -3.878) 7.149 7.495 ( 1.084 -5.579 -2.779) 6.327 7.495 ( 1.084 5.579 -2.779) 6.327 7.587 ( 0.276 -11.096 -0.116) 11.100 7.587 ( 0.276 11.096 -0.116) 11.100 8.005 ( 4.143 -3.822 0.125) 5.638 8.005 ( 4.143 3.822 0.125) 5.638 8.238 ( 5.245 -1.803 -5.272) 7.652 8.238 ( 5.245 1.803 -5.272) 7.652 8.400 ( 4.217 -4.391 2.409) 6.547 8.400 ( 4.217 4.391 2.409) 6.547 8.504 ( 2.827 -4.136 -1.020) 5.113 8.504 ( 2.827 4.136 -1.020) 5.113 8.688 ( 7.505 -2.124 3.311) 8.473 8.688 ( 7.505 2.124 3.311) 8.473 8.847 ( -0.618 -1.641 2.320) 2.908 8.847 ( -0.618 1.641 2.320) 2.908 9.379 ( 9.590 -5.326 2.040) 11.158 9.379 ( 9.590 5.326 2.040) 11.158 9.733 ( -0.118 -3.698 -15.532) 15.967 9.733 ( -0.118 3.698 -15.532) 15.967 10.766 ( 5.135 -0.838 7.959) 9.509 10.766 ( 5.135 0.838 7.959) 9.509 10.863 ( 10.571 -4.181 5.547) 12.649 10.863 ( 10.571 4.181 5.547) 12.649 11.202 ( 9.231 -5.309 2.524) 10.944 11.202 ( 9.231 5.309 2.524) 10.944 11.676 ( 3.392 -1.131 -18.750) 19.088 11.676 ( 3.392 1.131 -18.750) 19.088 11.883 ( -8.086 -2.479 10.761) 13.687 11.883 ( -8.086 2.479 10.761) 13.687 12.353 ( -5.070 -1.987 4.318) 6.950 12.353 ( -5.070 1.987 4.318) 6.950 12.619 ( -5.922 -2.189 -4.706) 7.874 12.619 ( -5.922 2.189 -4.706) 7.874 12.733 ( -5.145 -2.679 -6.805) 8.942 12.733 ( -5.145 2.679 -6.805) 8.942 13.712 ( 6.871 -7.238 8.925) 13.388 13.712 ( 6.871 7.238 8.925) 13.388 14.108 ( -5.045 -2.003 -3.288) 6.346 14.108 ( -5.045 2.003 -3.288) 6.346 14.889 ( 1.165 -2.657 3.302) 4.396 14.889 ( 1.165 2.657 3.302) 4.396 15.194 ( -5.920 -1.971 -8.797) 10.785 15.194 ( -5.920 1.971 -8.797) 10.785 15.394 ( 1.237 -0.864 5.348) 5.556 15.394 ( 1.237 0.864 5.348) 5.556 15.533 ( -4.715 -3.798 3.114) 6.808 15.533 ( -4.715 3.798 3.114) 6.808 15.999 ( -2.350 -3.603 -1.275) 4.486 15.999 ( -2.350 3.603 -1.275) 4.486 16.051 ( -2.049 -0.660 -1.750) 2.774 16.051 ( -2.049 0.660 -1.750) 2.774 ======================= Grid point 71 (30/45) ======================= q-point: ( 0.44 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 5.187 -2.727 0.646) 5.896 1.469 ( 5.187 2.727 0.646) 5.896 1.495 ( 3.524 -1.777 0.604) 3.993 1.495 ( 3.524 1.777 0.604) 3.993 1.598 ( 1.993 -3.025 -0.116) 3.625 1.598 ( 1.993 3.025 -0.116) 3.625 1.665 ( -2.611 -1.289 0.448) 2.946 1.665 ( -2.611 1.289 0.448) 2.946 1.848 ( 0.596 -0.146 -1.594) 1.708 1.848 ( 0.596 0.146 -1.594) 1.708 1.876 ( -0.855 -2.518 -0.569) 2.719 1.876 ( -0.855 2.518 -0.569) 2.719 2.066 ( 3.856 -0.593 0.948) 4.015 2.066 ( 3.856 0.593 0.948) 4.015 2.102 ( 0.972 -1.350 0.606) 1.770 2.102 ( 0.972 1.350 0.606) 1.770 2.135 ( 0.528 -1.253 0.201) 1.374 2.135 ( 0.528 1.253 0.201) 1.374 2.188 ( -5.467 -3.759 1.126) 6.729 2.188 ( -5.467 3.759 1.126) 6.729 2.354 ( 2.797 -5.130 -3.495) 6.809 2.354 ( 2.797 5.130 -3.495) 6.809 2.382 ( 0.628 -2.950 -3.903) 4.932 2.382 ( 0.628 2.950 -3.903) 4.932 2.621 ( 0.705 -1.133 7.332) 7.453 2.621 ( 0.705 1.133 7.332) 7.453 2.680 ( -3.437 -1.849 4.169) 5.710 2.680 ( -3.437 1.849 4.169) 5.710 2.940 ( 7.394 -3.011 -0.980) 8.044 2.940 ( 7.394 3.011 -0.980) 8.044 2.988 ( 2.467 -4.285 -0.777) 5.005 2.988 ( 2.467 4.285 -0.777) 5.005 3.220 ( 0.496 -2.222 -2.394) 3.304 3.220 ( 0.496 2.222 -2.394) 3.304 3.264 ( -2.294 -3.886 -1.237) 4.679 3.264 ( -2.294 3.886 -1.237) 4.679 3.534 ( 1.776 -1.459 1.398) 2.691 3.534 ( 1.776 1.459 1.398) 2.691 3.579 ( -1.950 -0.654 0.459) 2.108 3.579 ( -1.950 0.654 0.459) 2.108 3.775 ( 1.106 -6.151 5.345) 8.224 3.775 ( 1.106 6.151 5.345) 8.224 3.817 ( -3.132 -6.385 4.990) 8.688 3.817 ( -3.132 6.385 4.990) 8.688 4.207 ( 1.082 -0.658 -1.479) 1.948 4.207 ( 1.082 0.658 -1.479) 1.948 4.241 ( -1.914 -1.721 -2.045) 3.287 4.241 ( -1.914 1.721 -2.045) 3.287 4.437 ( 4.077 -2.064 2.815) 5.367 4.437 ( 4.077 2.064 2.815) 5.367 4.499 ( -1.359 -4.636 0.559) 4.863 4.499 ( -1.359 4.636 0.559) 4.864 4.563 ( -0.252 -2.686 1.966) 3.338 4.563 ( -0.252 2.686 1.966) 3.338 4.580 ( -0.745 -1.546 3.721) 4.097 4.580 ( -0.745 1.546 3.721) 4.097 4.737 ( 1.664 -1.663 -2.125) 3.170 4.737 ( 1.664 1.663 -2.125) 3.170 4.787 ( -3.317 -6.709 -2.024) 7.754 4.787 ( -3.317 6.709 -2.024) 7.754 5.018 ( 3.058 -5.760 0.899) 6.583 5.018 ( 3.058 5.760 0.899) 6.583 5.072 ( -2.800 -3.706 2.338) 5.200 5.072 ( -2.800 3.706 2.338) 5.200 5.187 ( 6.831 -1.441 -0.732) 7.019 5.187 ( 6.831 1.441 -0.732) 7.019 5.331 ( -6.037 -1.301 -4.018) 7.368 5.331 ( -6.037 1.301 -4.018) 7.368 5.635 ( 4.960 -6.366 3.256) 8.702 5.635 ( 4.960 6.366 3.256) 8.702 5.721 ( -2.153 -4.468 0.285) 4.968 5.721 ( -2.153 4.468 0.285) 4.968 5.806 ( 1.320 -0.367 4.231) 4.447 5.806 ( 1.320 0.367 4.231) 4.447 5.844 ( 0.485 -0.762 2.609) 2.760 5.844 ( 0.485 0.762 2.609) 2.760 6.009 ( 2.930 -2.532 2.535) 4.629 6.009 ( 2.930 2.532 2.535) 4.629 6.059 ( 0.089 -7.046 2.483) 7.472 6.059 ( 0.089 7.046 2.483) 7.472 6.146 ( 0.564 -1.475 2.062) 2.598 6.146 ( 0.564 1.475 2.062) 2.598 6.188 ( -2.181 -3.085 6.414) 7.444 6.188 ( -2.181 3.085 6.414) 7.444 6.658 ( 5.086 -4.375 -5.131) 8.446 6.658 ( 5.086 4.375 -5.131) 8.446 6.710 ( -0.155 -4.187 -2.204) 4.735 6.710 ( -0.155 4.187 -2.204) 4.735 6.862 ( 7.680 -1.467 -4.772) 9.160 6.862 ( 7.680 1.467 -4.772) 9.160 7.025 ( -7.860 -1.429 -6.733) 10.448 7.025 ( -7.860 1.429 -6.733) 10.448 7.510 ( 2.000 -0.817 0.662) 2.259 7.510 ( 2.000 0.817 0.662) 2.259 7.565 ( -2.845 -5.374 -0.494) 6.100 7.565 ( -2.845 5.374 -0.494) 6.100 8.159 ( 10.277 -8.474 0.944) 13.354 8.159 ( 10.277 8.474 0.944) 13.354 8.311 ( -1.572 -4.121 -2.782) 5.215 8.311 ( -1.572 4.121 -2.782) 5.215 8.414 ( 0.940 -3.559 0.816) 3.770 8.414 ( 0.940 3.559 0.816) 3.770 8.486 ( -3.776 -9.019 -1.116) 9.841 8.486 ( -3.776 9.019 -1.116) 9.841 8.806 ( 4.402 -2.971 3.686) 6.464 8.806 ( 4.402 2.971 3.686) 6.464 8.851 ( -0.177 -2.322 4.279) 4.871 8.851 ( -0.177 2.322 4.279) 4.871 9.565 ( 8.815 -7.167 -3.378) 11.852 9.565 ( 8.815 7.167 -3.378) 11.852 9.695 ( -4.225 -5.628 -10.138) 12.341 9.695 ( -4.225 5.628 -10.138) 12.341 10.883 ( 6.153 -0.956 0.966) 6.301 10.883 ( 6.153 0.956 0.966) 6.301 10.965 ( -0.840 -2.955 -0.081) 3.074 10.965 ( -0.840 2.955 -0.081) 3.074 11.411 ( 12.881 -3.396 6.476) 14.811 11.411 ( 12.881 3.396 6.476) 14.811 11.670 ( -12.458 -2.339 11.088) 16.841 11.670 ( -12.458 2.339 11.088) 16.841 11.852 ( 12.910 -0.730 -8.737) 15.606 11.852 ( 12.910 0.730 -8.737) 15.606 12.137 ( -14.835 -0.639 0.488) 14.857 12.137 ( -14.835 0.639 0.488) 14.857 12.589 ( 1.406 -1.630 -7.488) 7.791 12.589 ( 1.406 1.630 -7.488) 7.791 12.642 ( -3.891 -0.858 -7.165) 8.198 12.642 ( -3.891 0.858 -7.165) 8.198 13.846 ( 7.013 -4.244 7.361) 11.017 13.846 ( 7.013 4.244 7.361) 11.017 13.985 ( -7.126 -1.298 3.187) 7.913 13.985 ( -7.126 1.298 3.187) 7.913 14.957 ( 5.229 -3.231 -2.079) 6.489 14.957 ( 5.229 3.231 -2.079) 6.489 15.073 ( -6.325 -2.340 -6.642) 9.466 15.073 ( -6.325 2.340 -6.642) 9.466 15.427 ( 1.821 -1.026 4.451) 4.917 15.427 ( 1.821 1.026 4.451) 4.917 15.466 ( -2.409 -2.232 4.281) 5.395 15.466 ( -2.409 2.232 4.281) 5.395 15.978 ( 0.309 -2.171 -1.368) 2.585 15.978 ( 0.309 2.171 -1.368) 2.585 16.006 ( -2.238 -0.840 -1.826) 3.008 16.006 ( -2.238 0.840 -1.826) 3.008 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.000 0.000 -17.629) 17.629 0.796 ( 0.000 0.000 17.629) 17.629 0.838 ( 0.000 0.000 -15.384) 15.384 0.838 ( 0.000 0.000 15.384) 15.384 1.028 ( 0.000 0.000 -16.854) 16.854 1.028 ( 0.000 0.000 16.854) 16.854 1.359 ( 0.000 0.000 -0.151) 0.151 1.359 ( 0.000 0.000 0.151) 0.151 1.416 ( 0.000 0.000 -3.170) 3.170 1.416 ( 0.000 0.000 3.170) 3.170 1.709 ( 0.000 0.000 -7.506) 7.506 1.709 ( 0.000 0.000 7.506) 7.506 1.928 ( 0.000 0.000 -3.274) 3.274 1.928 ( 0.000 0.000 3.274) 3.274 1.989 ( 0.000 0.000 -3.441) 3.441 1.989 ( 0.000 0.000 3.441) 3.441 2.257 ( 0.000 0.000 -5.392) 5.392 2.257 ( 0.000 0.000 5.392) 5.392 2.329 ( 0.000 0.000 -6.830) 6.830 2.329 ( 0.000 0.000 6.830) 6.830 2.382 ( 0.000 0.000 -0.012) 0.012 2.382 ( 0.000 0.000 0.012) 0.012 2.393 ( 0.000 0.000 -8.133) 8.133 2.393 ( 0.000 0.000 8.133) 8.133 2.550 ( 0.000 0.000 -9.462) 9.462 2.550 ( 0.000 0.000 9.462) 9.462 2.843 ( 0.000 0.000 -2.756) 2.756 2.843 ( 0.000 0.000 2.756) 2.756 2.873 ( 0.000 0.000 -8.468) 8.468 2.873 ( 0.000 0.000 8.468) 8.468 2.910 ( 0.000 0.000 -9.144) 9.144 2.910 ( 0.000 0.000 9.144) 9.144 3.083 ( 0.000 0.000 -3.109) 3.109 3.083 ( 0.000 0.000 3.109) 3.109 3.378 ( 0.000 0.000 -1.291) 1.291 3.378 ( 0.000 0.000 1.291) 1.291 3.657 ( 0.000 0.000 -1.584) 1.584 3.657 ( 0.000 0.000 1.584) 1.584 3.663 ( 0.000 0.000 -7.198) 7.198 3.663 ( 0.000 0.000 7.198) 7.198 3.843 ( 0.000 0.000 -3.600) 3.600 3.843 ( 0.000 0.000 3.600) 3.600 3.847 ( 0.000 0.000 -9.729) 9.729 3.847 ( 0.000 0.000 9.729) 9.729 4.074 ( 0.000 0.000 -4.306) 4.306 4.074 ( 0.000 0.000 4.306) 4.306 4.090 ( 0.000 0.000 -3.775) 3.775 4.090 ( 0.000 0.000 3.775) 3.775 4.221 ( 0.000 0.000 -1.799) 1.799 4.221 ( 0.000 0.000 1.799) 1.799 4.385 ( 0.000 0.000 -0.043) 0.043 4.385 ( 0.000 0.000 0.043) 0.043 4.456 ( 0.000 0.000 -0.912) 0.912 4.456 ( 0.000 0.000 0.912) 0.912 4.516 ( 0.000 0.000 -3.063) 3.063 4.516 ( 0.000 0.000 3.063) 3.063 4.659 ( 0.000 0.000 -1.867) 1.867 4.659 ( 0.000 0.000 1.867) 1.867 4.701 ( 0.000 0.000 -9.037) 9.037 4.701 ( 0.000 0.000 9.037) 9.037 4.864 ( 0.000 0.000 -0.279) 0.279 4.864 ( 0.000 0.000 0.279) 0.279 4.945 ( 0.000 0.000 -3.558) 3.558 4.945 ( 0.000 0.000 3.558) 3.558 4.967 ( 0.000 0.000 -4.060) 4.060 4.967 ( 0.000 0.000 4.060) 4.060 5.063 ( 0.000 0.000 -0.938) 0.938 5.063 ( 0.000 0.000 0.938) 0.938 5.345 ( 0.000 0.000 -2.429) 2.429 5.345 ( 0.000 0.000 2.429) 2.429 5.346 ( 0.000 0.000 -5.698) 5.698 5.346 ( 0.000 0.000 5.698) 5.698 5.575 ( 0.000 0.000 -12.406) 12.406 5.575 ( 0.000 0.000 12.406) 12.406 5.617 ( 0.000 0.000 -3.419) 3.419 5.617 ( 0.000 0.000 3.419) 3.419 5.750 ( 0.000 0.000 -0.629) 0.629 5.750 ( 0.000 0.000 0.629) 0.629 5.980 ( 0.000 0.000 -16.025) 16.025 5.980 ( 0.000 0.000 16.025) 16.025 6.307 ( 0.000 0.000 -3.981) 3.981 6.307 ( 0.000 0.000 3.981) 3.981 6.415 ( 0.000 0.000 -10.787) 10.787 6.415 ( 0.000 0.000 10.787) 10.787 6.526 ( 0.000 0.000 -2.216) 2.216 6.526 ( 0.000 0.000 2.216) 2.216 6.550 ( 0.000 0.000 -5.951) 5.951 6.550 ( 0.000 0.000 5.951) 5.951 6.651 ( 0.000 0.000 -2.204) 2.204 6.651 ( 0.000 0.000 2.204) 2.204 6.801 ( 0.000 0.000 -4.577) 4.577 6.801 ( 0.000 0.000 4.577) 4.577 7.568 ( 0.000 0.000 -3.361) 3.361 7.568 ( 0.000 0.000 3.361) 3.361 7.783 ( 0.000 0.000 -1.528) 1.528 7.783 ( 0.000 0.000 1.528) 1.528 7.941 ( 0.000 0.000 -1.614) 1.614 7.941 ( 0.000 0.000 1.614) 1.614 8.102 ( 0.000 0.000 -3.110) 3.110 8.102 ( 0.000 0.000 3.110) 3.110 8.109 ( 0.000 0.000 -2.004) 2.004 8.109 ( 0.000 0.000 2.004) 2.004 8.375 ( 0.000 0.000 -2.523) 2.523 8.375 ( 0.000 0.000 2.523) 2.523 8.537 ( 0.000 0.000 -1.411) 1.411 8.537 ( 0.000 0.000 1.411) 1.411 8.608 ( 0.000 0.000 -9.556) 9.556 8.608 ( 0.000 0.000 9.556) 9.556 9.031 ( 0.000 0.000 -1.275) 1.275 9.031 ( 0.000 0.000 1.275) 1.275 9.440 ( 0.000 0.000 -5.557) 5.557 9.440 ( 0.000 0.000 5.557) 5.557 10.395 ( 0.000 0.000 -8.713) 8.713 10.395 ( 0.000 0.000 8.713) 8.713 10.729 ( 0.000 0.000 -18.433) 18.433 10.729 ( 0.000 0.000 18.433) 18.433 11.312 ( 0.000 0.000 -4.428) 4.428 11.312 ( 0.000 0.000 4.428) 4.428 11.404 ( 0.000 0.000 -12.910) 12.910 11.404 ( 0.000 0.000 12.910) 12.910 11.921 ( 0.000 0.000 -19.815) 19.815 11.921 ( 0.000 0.000 19.815) 19.815 12.797 ( 0.000 0.000 -18.084) 18.084 12.797 ( 0.000 0.000 18.084) 18.084 12.871 ( 0.000 0.000 -10.694) 10.694 12.871 ( 0.000 0.000 10.694) 10.694 12.997 ( 0.000 0.000 -9.301) 9.301 12.997 ( 0.000 0.000 9.301) 9.301 13.510 ( 0.000 0.000 -12.750) 12.750 13.510 ( 0.000 0.000 12.750) 12.750 14.058 ( 0.000 0.000 -3.093) 3.093 14.058 ( 0.000 0.000 3.093) 3.093 15.093 ( 0.000 0.000 -7.555) 7.555 15.093 ( 0.000 0.000 7.555) 7.555 15.213 ( 0.000 0.000 -11.700) 11.700 15.213 ( 0.000 0.000 11.700) 11.700 15.640 ( 0.000 0.000 -0.403) 0.403 15.640 ( 0.000 0.000 0.403) 0.403 15.673 ( 0.000 0.000 -0.174) 0.174 15.673 ( 0.000 0.000 0.174) 0.174 16.110 ( 0.000 0.000 -5.740) 5.740 16.110 ( 0.000 0.000 5.740) 5.740 16.230 ( 0.000 0.000 -5.068) 5.068 16.230 ( 0.000 0.000 5.068) 5.068 ======================= Grid point 92 (32/45) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 3.822 0.000 -11.330) 11.957 0.833 ( 3.822 0.000 11.330) 11.957 1.003 ( 12.245 0.000 -16.038) 20.178 1.003 ( 12.245 0.000 16.038) 20.178 1.094 ( 8.802 0.000 -10.939) 14.040 1.094 ( 8.802 0.000 10.939) 14.040 1.426 ( 6.629 0.000 -0.974) 6.700 1.426 ( 6.629 0.000 0.974) 6.700 1.465 ( 5.590 0.000 -4.017) 6.884 1.465 ( 5.590 0.000 4.017) 6.884 1.743 ( 3.285 0.000 -7.199) 7.913 1.743 ( 3.285 0.000 7.199) 7.913 1.954 ( 2.374 0.000 -2.679) 3.579 1.954 ( 2.374 0.000 2.679) 3.579 2.023 ( 2.398 0.000 -3.096) 3.916 2.023 ( 2.398 0.000 3.096) 3.916 2.213 ( -4.791 0.000 -2.563) 5.434 2.213 ( -4.791 0.000 2.563) 5.434 2.241 ( -3.699 0.000 -0.785) 3.781 2.241 ( -3.699 0.000 0.785) 3.781 2.416 ( 0.194 0.000 -4.418) 4.422 2.416 ( 0.194 0.000 4.418) 4.422 2.467 ( 6.243 0.000 -9.712) 11.546 2.467 ( 6.243 0.000 9.712) 11.546 2.546 ( 0.096 0.000 -8.145) 8.145 2.546 ( 0.096 0.000 8.145) 8.145 2.792 ( -5.084 0.000 -4.702) 6.925 2.792 ( -5.084 0.000 4.702) 6.925 2.891 ( 3.591 0.000 -4.354) 5.644 2.891 ( 3.591 0.000 4.354) 5.644 2.923 ( -1.535 0.000 -3.885) 4.177 2.923 ( -1.535 0.000 3.885) 4.177 3.021 ( -5.124 0.000 -2.944) 5.910 3.021 ( -5.124 0.000 2.944) 5.910 3.414 ( 1.671 0.000 -0.716) 1.818 3.414 ( 1.671 0.000 0.716) 1.818 3.542 ( -4.081 0.000 -2.016) 4.552 3.542 ( -4.081 0.000 2.016) 4.552 3.668 ( -2.600 0.000 -5.632) 6.203 3.668 ( -2.600 0.000 5.632) 6.203 3.831 ( 2.553 0.000 -4.435) 5.118 3.831 ( 2.553 0.000 4.435) 5.118 3.914 ( -3.456 0.000 -1.531) 3.780 3.914 ( -3.456 0.000 1.531) 3.780 4.035 ( 4.104 0.000 -5.068) 6.521 4.035 ( 4.104 0.000 5.068) 6.521 4.195 ( 5.632 0.000 -4.453) 7.180 4.195 ( 5.632 0.000 4.453) 7.180 4.234 ( 1.538 0.000 -0.649) 1.669 4.234 ( 1.538 0.000 0.649) 1.669 4.389 ( -1.767 0.000 -1.209) 2.141 4.389 ( -1.767 0.000 1.209) 2.141 4.435 ( 5.228 0.000 -0.267) 5.235 4.435 ( 5.228 0.000 0.267) 5.235 4.607 ( 2.740 0.000 -1.544) 3.145 4.607 ( 2.740 0.000 1.544) 3.145 4.657 ( 0.491 0.000 -0.182) 0.524 4.657 ( 0.491 0.000 0.182) 0.524 4.730 ( 2.054 0.000 -7.430) 7.709 4.730 ( 2.054 0.000 7.430) 7.709 4.907 ( 2.407 0.000 -0.158) 2.412 4.907 ( 2.407 0.000 0.158) 2.412 4.983 ( 1.416 0.000 -4.127) 4.363 4.983 ( 1.416 0.000 4.127) 4.363 5.008 ( 6.545 0.000 -3.031) 7.212 5.008 ( 6.545 0.000 3.031) 7.212 5.126 ( 6.034 0.000 -0.784) 6.085 5.126 ( 6.034 0.000 0.784) 6.085 5.332 ( 0.669 0.000 -3.053) 3.126 5.332 ( 0.669 0.000 3.053) 3.126 5.443 ( 7.947 0.000 -0.443) 7.959 5.443 ( 7.947 0.000 0.443) 7.959 5.581 ( -0.210 0.000 -4.798) 4.803 5.581 ( -0.210 0.000 4.798) 4.803 5.673 ( 6.999 0.000 -0.117) 7.000 5.673 ( 6.999 0.000 0.117) 7.000 5.786 ( 2.756 0.000 -0.883) 2.894 5.786 ( 2.756 0.000 0.883) 2.894 5.979 ( 0.236 0.000 -12.256) 12.258 5.979 ( 0.236 0.000 12.256) 12.258 6.158 ( -9.915 0.000 -2.797) 10.302 6.158 ( -9.915 0.000 2.797) 10.302 6.351 ( -3.701 0.000 -4.257) 5.641 6.351 ( -3.701 0.000 4.257) 5.641 6.409 ( -0.835 0.000 -4.232) 4.313 6.409 ( -0.835 0.000 4.232) 4.313 6.651 ( 1.871 0.000 -9.358) 9.543 6.651 ( 1.871 0.000 9.358) 9.543 6.774 ( 6.525 0.000 -1.331) 6.659 6.774 ( 6.525 0.000 1.331) 6.659 7.064 ( 19.812 0.000 -6.870) 20.969 7.064 ( 19.812 0.000 6.870) 20.969 7.500 ( -5.252 0.000 -2.322) 5.742 7.500 ( -5.252 0.000 2.322) 5.742 7.880 ( 5.837 0.000 -4.218) 7.202 7.880 ( 5.837 0.000 4.218) 7.202 7.948 ( 1.857 0.000 -1.253) 2.240 7.948 ( 1.857 0.000 1.253) 2.240 8.074 ( -1.026 0.000 -4.459) 4.576 8.074 ( -1.026 0.000 4.459) 4.576 8.145 ( 2.964 0.000 -4.137) 5.089 8.145 ( 2.964 0.000 4.137) 5.089 8.280 ( -7.027 0.000 -2.447) 7.441 8.280 ( -7.027 0.000 2.447) 7.441 8.534 ( 0.643 0.000 -0.921) 1.123 8.534 ( 0.643 0.000 0.921) 1.123 8.682 ( 6.349 0.000 -8.010) 10.221 8.682 ( 6.349 0.000 8.010) 10.221 9.117 ( 7.486 0.000 -4.193) 8.580 9.117 ( 7.486 0.000 4.193) 8.580 9.439 ( 0.099 0.000 -7.270) 7.271 9.439 ( 0.099 0.000 7.270) 7.271 10.454 ( 6.074 0.000 -7.885) 9.953 10.454 ( 6.074 0.000 7.885) 9.953 10.816 ( 8.393 0.000 -17.434) 19.349 10.816 ( 8.393 0.000 17.434) 19.349 11.228 ( -7.116 0.000 -4.656) 8.504 11.228 ( -7.116 0.000 4.656) 8.504 11.362 ( -3.993 0.000 -9.205) 10.034 11.362 ( -3.993 0.000 9.205) 10.034 11.972 ( 4.752 0.000 -17.244) 17.887 11.972 ( 4.752 0.000 17.244) 17.887 12.738 ( -6.497 0.000 -15.348) 16.667 12.738 ( -6.497 0.000 15.348) 16.667 12.827 ( -4.412 0.000 -8.673) 9.731 12.827 ( -4.412 0.000 8.674) 9.731 12.941 ( -5.713 0.000 -11.550) 12.886 12.941 ( -5.713 0.000 11.550) 12.886 13.491 ( 1.493 0.000 -12.571) 12.659 13.491 ( 1.493 0.000 12.571) 12.659 14.135 ( 5.051 0.000 -2.135) 5.484 14.135 ( 5.051 0.000 2.135) 5.484 15.062 ( -3.708 0.000 -2.866) 4.686 15.062 ( -3.708 0.000 2.866) 4.686 15.155 ( -3.951 0.000 -3.519) 5.291 15.155 ( -3.951 0.000 3.519) 5.291 15.573 ( -3.878 0.000 -3.820) 5.443 15.573 ( -3.878 0.000 3.820) 5.443 15.726 ( 1.887 0.000 -6.934) 7.186 15.726 ( 1.887 0.000 6.934) 7.186 16.060 ( -4.428 0.000 -5.529) 7.084 16.060 ( -4.428 0.000 5.529) 7.084 16.205 ( -2.400 0.000 -3.704) 4.413 16.205 ( -2.400 0.000 3.704) 4.413 ======================= Grid point 94 (33/45) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 9.880 0.000 -11.924) 15.485 0.966 ( 9.880 0.000 11.924) 15.485 1.166 ( 7.841 0.000 -16.191) 17.990 1.166 ( 7.841 0.000 16.191) 17.990 1.364 ( 12.123 0.000 -2.537) 12.386 1.364 ( 12.123 0.000 2.537) 12.386 1.540 ( 5.993 0.000 -2.076) 6.343 1.540 ( 5.993 0.000 2.076) 6.343 1.664 ( 11.442 0.000 -3.472) 11.957 1.664 ( 11.442 0.000 3.472) 11.957 1.855 ( 9.008 0.000 -3.129) 9.536 1.855 ( 9.008 0.000 3.129) 9.536 1.978 ( -2.473 0.000 -0.670) 2.562 1.978 ( -2.473 0.000 0.670) 2.562 2.053 ( 3.367 0.000 -0.708) 3.440 2.053 ( 3.367 0.000 0.708) 3.440 2.153 ( -0.423 0.000 -1.481) 1.540 2.153 ( -0.423 0.000 1.481) 1.540 2.187 ( -2.564 0.000 -1.831) 3.151 2.187 ( -2.564 0.000 1.831) 3.151 2.370 ( -4.228 0.000 -2.883) 5.118 2.370 ( -4.228 0.000 2.883) 5.118 2.558 ( 1.044 0.000 -5.154) 5.259 2.558 ( 1.044 0.000 5.154) 5.259 2.592 ( 3.777 0.000 -6.674) 7.669 2.592 ( 3.777 0.000 6.674) 7.669 2.717 ( -1.881 0.000 -3.473) 3.949 2.717 ( -1.881 0.000 3.473) 3.949 2.851 ( -3.665 0.000 -0.884) 3.770 2.851 ( -3.665 0.000 0.884) 3.770 2.907 ( -1.732 0.000 -0.540) 1.814 2.907 ( -1.732 0.000 0.540) 1.814 2.980 ( 1.336 0.000 -6.485) 6.621 2.980 ( 1.336 0.000 6.485) 6.621 3.391 ( -2.147 0.000 -2.231) 3.096 3.391 ( -2.147 0.000 2.231) 3.096 3.514 ( -1.038 0.000 -3.004) 3.178 3.514 ( -1.038 0.000 3.004) 3.178 3.649 ( 0.535 0.000 -0.118) 0.547 3.649 ( 0.535 0.000 0.118) 0.547 3.822 ( -3.520 0.000 -2.227) 4.165 3.822 ( -3.520 0.000 2.227) 4.165 3.898 ( 2.313 0.000 -3.089) 3.859 3.898 ( 2.313 0.000 3.089) 3.859 4.099 ( 2.159 0.000 -0.564) 2.232 4.099 ( 2.159 0.000 0.564) 2.232 4.264 ( 1.018 0.000 -0.148) 1.029 4.264 ( 1.018 0.000 0.148) 1.029 4.277 ( 2.821 0.000 -1.738) 3.313 4.277 ( 2.821 0.000 1.738) 3.313 4.404 ( 3.610 0.000 -0.570) 3.655 4.404 ( 3.610 0.000 0.570) 3.655 4.562 ( 2.748 0.000 -1.480) 3.121 4.562 ( 2.748 0.000 1.480) 3.121 4.599 ( -1.319 0.000 -3.540) 3.778 4.599 ( -1.319 0.000 3.540) 3.778 4.700 ( 5.888 0.000 -4.349) 7.320 4.700 ( 5.888 0.000 4.349) 7.320 4.796 ( 3.121 0.000 -6.314) 7.043 4.796 ( 3.121 0.000 6.314) 7.043 4.932 ( 0.218 0.000 -0.646) 0.682 4.932 ( 0.218 0.000 0.646) 0.682 4.979 ( -0.513 0.000 -0.107) 0.524 4.979 ( -0.513 0.000 0.107) 0.524 5.130 ( 4.020 0.000 -1.604) 4.329 5.130 ( 4.020 0.000 1.604) 4.329 5.240 ( 5.000 0.000 -1.135) 5.127 5.240 ( 5.000 0.000 1.135) 5.127 5.407 ( 6.376 0.000 -1.660) 6.588 5.407 ( 6.376 0.000 1.660) 6.588 5.582 ( 3.180 0.000 -1.200) 3.399 5.582 ( 3.180 0.000 1.200) 3.399 5.638 ( 9.056 0.000 -0.707) 9.083 5.638 ( 9.056 0.000 0.707) 9.083 5.800 ( -1.208 0.000 -2.144) 2.461 5.800 ( -1.208 0.000 2.144) 2.461 5.855 ( 8.500 0.000 -0.784) 8.536 5.855 ( 8.500 0.000 0.784) 8.536 5.974 ( -0.510 0.000 -3.983) 4.016 5.974 ( -0.510 0.000 3.983) 4.016 6.112 ( 5.857 0.000 -2.334) 6.305 6.112 ( 5.857 0.000 2.334) 6.305 6.280 ( -4.500 0.000 -2.783) 5.291 6.280 ( -4.500 0.000 2.783) 5.291 6.414 ( 1.910 0.000 -6.781) 7.045 6.414 ( 1.910 0.000 6.781) 7.045 6.690 ( 4.261 0.000 -7.705) 8.805 6.690 ( 4.261 0.000 7.705) 8.805 6.898 ( 3.430 0.000 -0.186) 3.435 6.898 ( 3.430 0.000 0.186) 3.435 7.324 ( 6.154 0.000 -9.141) 11.019 7.324 ( 6.154 0.000 9.141) 11.019 7.400 ( -4.128 0.000 -6.910) 8.050 7.400 ( -4.128 0.000 6.910) 8.050 7.845 ( -6.382 0.000 -11.445) 13.104 7.845 ( -6.382 0.000 11.445) 13.104 7.987 ( -0.058 0.000 -1.354) 1.355 7.987 ( -0.058 0.000 1.354) 1.355 8.120 ( 1.805 0.000 -1.717) 2.491 8.120 ( 1.805 0.000 1.717) 2.491 8.212 ( -1.158 0.000 -2.004) 2.314 8.212 ( -1.158 0.000 2.004) 2.314 8.272 ( 13.701 0.000 -8.747) 16.255 8.272 ( 13.701 0.000 8.747) 16.255 8.609 ( 7.819 0.000 -1.531) 7.968 8.609 ( 7.819 0.000 1.531) 7.968 8.808 ( 5.347 0.000 -5.696) 7.813 8.808 ( 5.347 0.000 5.696) 7.813 9.275 ( 7.865 0.000 -2.703) 8.317 9.275 ( 7.865 0.000 2.703) 8.317 9.461 ( 2.754 0.000 -8.317) 8.761 9.461 ( 2.754 0.000 8.317) 8.761 10.619 ( 10.087 0.000 -5.833) 11.652 10.619 ( 10.087 0.000 5.833) 11.652 10.999 ( 6.135 0.000 -7.164) 9.432 10.999 ( 6.135 0.000 7.164) 9.432 11.114 ( -0.717 0.000 -8.635) 8.665 11.114 ( -0.717 0.000 8.635) 8.665 11.291 ( -1.088 0.000 -9.199) 9.263 11.291 ( -1.088 0.000 9.199) 9.263 12.084 ( 6.370 0.000 -12.592) 14.111 12.084 ( 6.370 0.000 12.592) 14.111 12.545 ( -12.786 0.000 -4.690) 13.619 12.545 ( -12.786 0.000 4.690) 13.619 12.706 ( -7.931 0.000 -1.615) 8.094 12.706 ( -7.931 0.000 1.615) 8.094 12.801 ( -8.109 0.000 -8.816) 11.978 12.801 ( -8.109 0.000 8.816) 11.978 13.609 ( 9.520 0.000 -12.329) 15.577 13.609 ( 9.520 0.000 12.329) 15.577 14.182 ( -0.718 0.000 -3.288) 3.365 14.182 ( -0.718 0.000 3.288) 3.365 14.967 ( -4.635 0.000 -5.966) 7.555 14.967 ( -4.635 0.000 5.966) 7.555 15.105 ( -1.584 0.000 -6.517) 6.706 15.105 ( -1.584 0.000 6.517) 6.706 15.501 ( -3.364 0.000 -3.348) 4.746 15.501 ( -3.364 0.000 3.348) 4.746 15.708 ( -4.103 0.000 -11.923) 12.609 15.708 ( -4.103 0.000 11.923) 12.609 15.985 ( -2.226 0.000 -6.275) 6.658 15.985 ( -2.226 0.000 6.275) 6.658 16.143 ( -3.754 0.000 -0.893) 3.859 16.143 ( -3.754 0.000 0.893) 3.859 ======================= Grid point 96 (34/45) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 13.568 0.000 -8.795) 16.169 1.201 ( 13.568 0.000 8.795) 16.169 1.326 ( 8.066 0.000 -10.543) 13.274 1.326 ( 8.066 0.000 10.543) 13.274 1.500 ( 3.429 0.000 -0.941) 3.556 1.500 ( 3.429 0.000 0.941) 3.556 1.661 ( 5.348 0.000 -0.925) 5.427 1.661 ( 5.348 0.000 0.925) 5.427 1.826 ( 5.014 0.000 -1.295) 5.179 1.826 ( 5.014 0.000 1.295) 5.179 1.879 ( -4.456 0.000 -0.052) 4.456 1.879 ( -4.456 0.000 0.052) 4.456 2.032 ( 4.710 0.000 -3.059) 5.616 2.032 ( 4.710 0.000 3.059) 5.616 2.097 ( -3.129 0.000 -0.499) 3.169 2.097 ( -3.129 0.000 0.499) 3.169 2.140 ( -0.738 0.000 -1.511) 1.682 2.140 ( -0.738 0.000 1.511) 1.682 2.219 ( 2.567 0.000 -0.471) 2.610 2.219 ( 2.567 0.000 0.471) 2.610 2.334 ( 6.618 0.000 -4.317) 7.902 2.334 ( 6.618 0.000 4.317) 7.902 2.538 ( -4.983 0.000 -2.662) 5.649 2.538 ( -4.983 0.000 2.662) 5.649 2.577 ( -0.158 0.000 -0.064) 0.170 2.577 ( -0.158 0.000 0.064) 0.170 2.721 ( 0.240 0.000 -6.453) 6.458 2.721 ( 0.240 0.000 6.453) 6.458 2.801 ( -1.412 0.000 -2.253) 2.659 2.801 ( -1.412 0.000 2.253) 2.659 2.978 ( 7.365 0.000 -4.693) 8.733 2.978 ( 7.365 0.000 4.693) 8.733 3.003 ( 2.108 0.000 -8.119) 8.389 3.003 ( 2.108 0.000 8.119) 8.389 3.361 ( -1.552 0.000 -2.007) 2.537 3.361 ( -1.552 0.000 2.007) 2.537 3.491 ( -0.869 0.000 -1.184) 1.469 3.491 ( -0.869 0.000 1.184) 1.469 3.642 ( -1.821 0.000 -3.911) 4.314 3.642 ( -1.821 0.000 3.911) 4.314 3.779 ( -0.468 0.000 -5.291) 5.312 3.779 ( -0.468 0.000 5.291) 5.312 3.904 ( -1.668 0.000 -3.576) 3.946 3.904 ( -1.668 0.000 3.576) 3.946 4.155 ( 3.492 0.000 -0.315) 3.506 4.155 ( 3.492 0.000 0.315) 3.506 4.267 ( -0.208 0.000 -1.025) 1.046 4.267 ( -0.208 0.000 1.025) 1.046 4.330 ( 2.533 0.000 -1.266) 2.832 4.330 ( 2.533 0.000 1.266) 2.832 4.470 ( 1.311 0.000 -0.767) 1.519 4.470 ( 1.311 0.000 0.767) 1.519 4.507 ( -3.005 0.000 -0.141) 3.008 4.507 ( -3.005 0.000 0.141) 3.008 4.618 ( -0.098 0.000 -0.161) 0.189 4.618 ( -0.098 0.000 0.161) 0.189 4.782 ( -3.115 0.000 -7.116) 7.768 4.782 ( -3.115 0.000 7.116) 7.768 4.814 ( 1.209 0.000 -1.737) 2.116 4.814 ( 1.209 0.000 1.737) 2.116 4.909 ( 4.086 0.000 -3.313) 5.260 4.909 ( 4.086 0.000 3.313) 5.260 5.115 ( 10.783 0.000 -1.287) 10.860 5.115 ( 10.783 0.000 1.287) 10.860 5.161 ( 0.173 0.000 -0.112) 0.206 5.161 ( 0.173 0.000 0.112) 0.206 5.316 ( 2.526 0.000 -2.712) 3.706 5.316 ( 2.526 0.000 2.712) 3.706 5.487 ( 0.885 0.000 -3.260) 3.378 5.487 ( 0.885 0.000 3.260) 3.378 5.642 ( 2.261 0.000 -5.085) 5.565 5.642 ( 2.261 0.000 5.085) 5.565 5.781 ( 0.801 0.000 -3.830) 3.913 5.781 ( 0.801 0.000 3.830) 3.913 5.798 ( 5.334 0.000 -3.224) 6.233 5.798 ( 5.334 0.000 3.224) 6.233 5.939 ( -0.179 0.000 -0.628) 0.653 5.939 ( -0.179 0.000 0.628) 0.653 5.978 ( -0.525 0.000 -3.205) 3.247 5.978 ( -0.525 0.000 3.205) 3.247 6.230 ( 3.727 0.000 -1.351) 3.965 6.230 ( 3.727 0.000 1.351) 3.965 6.303 ( 10.163 0.000 -8.686) 13.369 6.303 ( 10.163 0.000 8.686) 13.369 6.462 ( 2.239 0.000 -16.889) 17.037 6.462 ( 2.239 0.000 16.889) 17.037 6.810 ( 1.742 0.000 -3.405) 3.825 6.810 ( 1.742 0.000 3.405) 3.825 6.884 ( 1.069 0.000 -5.136) 5.246 6.884 ( 1.069 0.000 5.136) 5.246 7.276 ( -6.282 0.000 -0.329) 6.290 7.276 ( -6.282 0.000 0.329) 6.290 7.433 ( 4.354 0.000 -16.609) 17.171 7.433 ( 4.354 0.000 16.609) 17.171 7.718 ( -5.359 0.000 -5.633) 7.775 7.718 ( -5.359 0.000 5.633) 7.775 8.001 ( -0.292 0.000 -2.244) 2.263 8.001 ( -0.292 0.000 2.244) 2.263 8.125 ( -5.424 0.000 -2.641) 6.033 8.125 ( -5.424 0.000 2.641) 6.033 8.218 ( 8.859 0.000 -2.606) 9.234 8.218 ( 8.859 0.000 2.606) 9.234 8.562 ( 13.615 0.000 -7.897) 15.739 8.562 ( 13.615 0.000 7.897) 15.739 8.786 ( 8.012 0.000 -2.132) 8.290 8.786 ( 8.012 0.000 2.132) 8.290 8.844 ( -2.243 0.000 -1.175) 2.532 8.844 ( -2.243 0.000 1.175) 2.532 9.413 ( 6.727 0.000 -11.556) 13.372 9.413 ( 6.727 0.000 11.556) 13.372 9.545 ( 4.679 0.000 -3.566) 5.883 9.545 ( 4.679 0.000 3.566) 5.883 10.785 ( 5.538 0.000 -1.015) 5.631 10.785 ( 5.538 0.000 1.015) 5.631 10.988 ( -2.111 0.000 -7.002) 7.313 10.988 ( -2.111 0.000 7.002) 7.313 11.234 ( 10.323 0.000 -10.912) 15.021 11.234 ( 10.323 0.000 10.912) 15.021 11.430 ( 14.103 0.000 -0.848) 14.128 11.430 ( 14.103 0.000 0.848) 14.128 12.194 ( 2.925 0.000 -11.385) 11.755 12.194 ( 2.925 0.000 11.385) 11.755 12.264 ( -15.250 0.000 -8.281) 17.353 12.264 ( -15.250 0.000 8.281) 17.353 12.511 ( -11.082 0.000 -5.690) 12.458 12.511 ( -11.082 0.000 5.690) 12.458 12.654 ( -6.622 0.000 -5.326) 8.498 12.654 ( -6.622 0.000 5.326) 8.498 13.806 ( 9.513 0.000 -9.907) 13.735 13.806 ( 9.513 0.000 9.907) 13.735 14.122 ( -4.511 0.000 -2.699) 5.257 14.122 ( -4.511 0.000 2.699) 5.257 14.909 ( -0.967 0.000 -7.847) 7.907 14.909 ( -0.967 0.000 7.847) 7.907 15.082 ( -1.194 0.000 -3.683) 3.872 15.082 ( -1.194 0.000 3.683) 3.872 15.450 ( -1.726 0.000 -3.010) 3.470 15.450 ( -1.726 0.000 3.010) 3.470 15.593 ( -6.612 0.000 -10.654) 12.539 15.593 ( -6.612 0.000 10.654) 12.539 15.971 ( 0.153 0.000 -4.744) 4.746 15.971 ( 0.153 0.000 4.744) 4.746 16.069 ( -3.608 0.000 -0.917) 3.723 16.069 ( -3.608 0.000 0.917) 3.723 ======================= Grid point 98 (35/45) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 9.152 0.000 -1.367) 9.254 1.451 ( 9.152 0.000 1.367) 9.254 1.457 ( 5.003 0.000 -3.344) 6.018 1.457 ( 5.003 0.000 3.344) 6.018 1.547 ( 3.215 0.000 -1.393) 3.504 1.547 ( 3.215 0.000 1.393) 3.504 1.681 ( -5.084 0.000 -1.783) 5.387 1.681 ( -5.084 0.000 1.783) 5.387 1.830 ( 1.223 0.000 -0.152) 1.232 1.830 ( 1.223 0.000 0.152) 1.232 1.871 ( -1.205 0.000 -0.013) 1.205 1.871 ( -1.205 0.000 0.013) 1.205 2.005 ( -0.843 0.000 -1.358) 1.598 2.005 ( -0.843 0.000 1.358) 1.598 2.053 ( -4.212 0.000 -0.826) 4.292 2.053 ( -4.212 0.000 0.826) 4.292 2.169 ( 3.714 0.000 -3.638) 5.199 2.169 ( 3.714 0.000 3.638) 5.199 2.214 ( -0.892 0.000 -3.566) 3.676 2.214 ( -0.892 0.000 3.566) 3.676 2.462 ( 0.394 0.000 -5.577) 5.591 2.462 ( 0.394 0.000 5.577) 5.591 2.466 ( -1.124 0.000 -6.870) 6.961 2.466 ( -1.124 0.000 6.870) 6.961 2.605 ( 4.270 0.000 -2.350) 4.874 2.605 ( 4.270 0.000 2.350) 4.874 2.690 ( -3.560 0.000 -4.225) 5.525 2.690 ( -3.560 0.000 4.225) 5.525 2.862 ( 7.078 0.000 -2.445) 7.489 2.862 ( 7.078 0.000 2.445) 7.489 2.977 ( -3.336 0.000 -3.513) 4.845 2.977 ( -3.336 0.000 3.513) 4.845 3.169 ( 8.692 0.000 -5.746) 10.419 3.169 ( 8.692 0.000 5.746) 10.419 3.301 ( -4.887 0.000 -2.424) 5.455 3.301 ( -4.887 0.000 2.424) 5.455 3.505 ( 2.548 0.000 -4.014) 4.755 3.505 ( 2.548 0.000 4.014) 4.755 3.577 ( -4.261 0.000 -5.053) 6.610 3.577 ( -4.261 0.000 5.053) 6.610 3.803 ( 2.393 0.000 -8.079) 8.426 3.803 ( 2.393 0.000 8.079) 8.426 3.856 ( -2.868 0.000 -7.505) 8.034 3.856 ( -2.868 0.000 7.505) 8.034 4.211 ( 2.264 0.000 -0.417) 2.302 4.211 ( 2.264 0.000 0.417) 2.302 4.251 ( -1.662 0.000 -0.308) 1.690 4.251 ( -1.662 0.000 0.308) 1.690 4.381 ( 2.710 0.000 -3.970) 4.806 4.381 ( 2.710 0.000 3.970) 4.806 4.430 ( -2.634 0.000 -3.160) 4.114 4.430 ( -2.634 0.000 3.160) 4.114 4.508 ( 1.583 0.000 -0.831) 1.788 4.508 ( 1.583 0.000 0.831) 1.788 4.570 ( -4.194 0.000 -0.248) 4.201 4.570 ( -4.194 0.000 0.248) 4.201 4.760 ( 1.216 0.000 -4.193) 4.365 4.760 ( 1.216 0.000 4.193) 4.365 4.793 ( -1.637 0.000 -3.764) 4.105 4.793 ( -1.637 0.000 3.764) 4.105 5.047 ( 7.214 0.000 -1.697) 7.411 5.047 ( 7.214 0.000 1.697) 7.411 5.143 ( -2.273 0.000 -0.075) 2.274 5.143 ( -2.273 0.000 0.075) 2.274 5.281 ( 4.047 0.000 -3.609) 5.422 5.281 ( 4.047 0.000 3.609) 5.422 5.329 ( -1.555 0.000 -2.685) 3.103 5.329 ( -1.555 0.000 2.685) 3.103 5.519 ( 6.417 0.000 -0.160) 6.419 5.519 ( 6.417 0.000 0.160) 6.419 5.659 ( -3.140 0.000 -4.099) 5.163 5.659 ( -3.140 0.000 4.099) 5.163 5.784 ( -0.362 0.000 -3.352) 3.372 5.784 ( -0.362 0.000 3.352) 3.372 5.810 ( -3.131 0.000 -5.256) 6.118 5.810 ( -3.131 0.000 5.256) 6.118 5.922 ( 2.177 0.000 -0.771) 2.310 5.922 ( 2.177 0.000 0.771) 2.310 5.965 ( -1.310 0.000 -1.898) 2.306 5.965 ( -1.310 0.000 1.898) 2.306 6.378 ( 7.876 0.000 -5.635) 9.684 6.378 ( 7.876 0.000 5.635) 9.684 6.457 ( 1.926 0.000 -17.862) 17.966 6.457 ( 1.926 0.000 17.862) 17.966 6.504 ( 5.310 0.000 -9.530) 10.910 6.504 ( 5.310 0.000 9.530) 10.910 6.667 ( -9.610 0.000 -0.344) 9.616 6.667 ( -9.610 0.000 0.344) 9.616 7.029 ( 7.440 0.000 -0.918) 7.497 7.029 ( 7.440 0.000 0.918) 7.497 7.152 ( -6.025 0.000 -0.983) 6.105 7.152 ( -6.025 0.000 0.983) 6.105 7.539 ( 6.145 0.000 -11.587) 13.115 7.539 ( 6.145 0.000 11.587) 13.115 7.638 ( -3.784 0.000 -2.596) 4.589 7.638 ( -3.784 0.000 2.596) 4.589 7.974 ( -1.087 0.000 -2.289) 2.534 7.974 ( -1.087 0.000 2.289) 2.534 8.008 ( -4.901 0.000 -3.162) 5.833 8.008 ( -4.901 0.000 3.162) 5.833 8.464 ( 14.027 0.000 -0.229) 14.029 8.464 ( 14.027 0.000 0.229) 14.029 8.704 ( -8.781 0.000 -3.930) 9.620 8.704 ( -8.781 0.000 3.930) 9.620 8.786 ( 6.633 0.000 -2.585) 7.119 8.786 ( 6.633 0.000 2.585) 7.119 8.869 ( -0.324 0.000 -3.035) 3.052 8.869 ( -0.324 0.000 3.035) 3.052 9.536 ( 5.347 0.000 -13.748) 14.751 9.536 ( 5.347 0.000 13.748) 14.751 9.594 ( -0.226 0.000 -8.219) 8.222 9.594 ( -0.226 0.000 8.219) 8.222 10.862 ( 3.673 0.000 -0.941) 3.792 10.862 ( 3.673 0.000 0.941) 3.792 10.935 ( -3.470 0.000 -5.153) 6.212 10.935 ( -3.470 0.000 5.153) 6.212 11.527 ( 18.000 0.000 -4.885) 18.651 11.527 ( 18.000 0.000 4.885) 18.651 11.726 ( 12.447 0.000 -1.259) 12.510 11.726 ( 12.447 0.000 1.259) 12.510 11.938 ( -13.869 0.000 -3.605) 14.330 11.938 ( -13.869 0.000 3.605) 14.330 12.093 ( -14.312 0.000 -1.969) 14.447 12.093 ( -14.312 0.000 1.969) 14.447 12.434 ( 3.662 0.000 -5.308) 6.449 12.434 ( 3.662 0.000 5.308) 6.449 12.535 ( -5.803 0.000 -0.301) 5.811 12.535 ( -5.803 0.000 0.301) 5.811 13.950 ( 5.310 0.000 -5.291) 7.496 13.950 ( 5.310 0.000 5.291) 7.496 14.035 ( -4.153 0.000 -0.540) 4.188 14.035 ( -4.153 0.000 0.540) 4.188 14.942 ( 4.137 0.000 -7.963) 8.973 14.942 ( 4.137 0.000 7.963) 8.973 15.034 ( -4.115 0.000 -3.513) 5.411 15.034 ( -4.115 0.000 3.513) 5.411 15.439 ( 0.697 0.000 -1.129) 1.327 15.439 ( 0.697 0.000 1.129) 1.327 15.484 ( -4.077 0.000 -4.585) 6.135 15.484 ( -4.077 0.000 4.585) 6.135 15.981 ( 0.936 0.000 -2.191) 2.382 15.981 ( 0.936 0.000 2.191) 2.382 16.011 ( -2.262 0.000 -0.231) 2.274 16.011 ( -2.262 0.000 0.231) 2.274 ======================= Grid point 108 (36/45) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 0.000 5.930 -15.496) 16.592 0.868 ( 0.000 5.930 15.496) 16.592 0.938 ( 0.000 5.485 -2.456) 6.009 0.938 ( 0.000 5.485 2.456) 6.009 1.171 ( 0.000 11.745 -4.593) 12.612 1.171 ( 0.000 11.745 4.593) 12.612 1.322 ( 0.000 -1.753 -3.036) 3.506 1.322 ( 0.000 -1.753 3.036) 3.506 1.351 ( 0.000 -5.507 -5.145) 7.536 1.351 ( 0.000 -5.507 5.145) 7.536 1.682 ( 0.000 -2.801 -7.061) 7.596 1.682 ( 0.000 -2.801 7.061) 7.596 1.947 ( 0.000 0.695 -6.224) 6.263 1.947 ( 0.000 0.695 6.224) 6.263 1.966 ( 0.000 -1.383 -5.304) 5.481 1.966 ( 0.000 -1.383 5.304) 5.481 2.240 ( 0.000 -0.607 -5.066) 5.102 2.240 ( 0.000 -0.607 5.066) 5.102 2.339 ( 0.000 -3.200 -5.768) 6.596 2.339 ( 0.000 -3.200 5.768) 6.596 2.367 ( 0.000 3.052 -6.105) 6.826 2.367 ( 0.000 3.052 6.105) 6.826 2.423 ( 0.000 1.430 -6.873) 7.020 2.423 ( 0.000 1.430 6.873) 7.020 2.508 ( 0.000 -1.964 -5.721) 6.048 2.508 ( 0.000 -1.964 5.721) 6.048 2.671 ( 0.000 -9.480 -5.351) 10.886 2.671 ( 0.000 -9.480 5.351) 10.886 2.952 ( 0.000 4.766 -7.512) 8.897 2.952 ( 0.000 4.766 7.512) 8.897 2.989 ( 0.000 2.226 -6.246) 6.631 2.989 ( 0.000 2.226 6.246) 6.631 3.113 ( 0.000 2.996 -4.729) 5.598 3.113 ( 0.000 2.996 4.729) 5.598 3.351 ( 0.000 -3.088 -2.749) 4.134 3.351 ( 0.000 -3.088 2.749) 4.134 3.632 ( 0.000 -1.686 -3.006) 3.446 3.632 ( 0.000 -1.686 3.006) 3.446 3.648 ( 0.000 -1.595 -6.113) 6.318 3.648 ( 0.000 -1.595 6.113) 6.318 3.846 ( 0.000 0.281 -6.006) 6.013 3.846 ( 0.000 0.281 6.006) 6.013 3.862 ( 0.000 0.751 -4.032) 4.102 3.862 ( 0.000 0.751 4.032) 4.102 4.081 ( 0.000 1.372 -1.430) 1.981 4.081 ( 0.000 1.372 1.430) 1.981 4.128 ( 0.000 1.795 -2.234) 2.865 4.128 ( 0.000 1.795 2.234) 2.865 4.295 ( 0.000 4.738 -3.145) 5.687 4.295 ( 0.000 4.738 3.145) 5.687 4.352 ( 0.000 -0.351 -3.257) 3.276 4.352 ( 0.000 -0.351 3.257) 3.276 4.526 ( 0.000 1.547 -3.783) 4.087 4.526 ( 0.000 1.547 3.783) 4.087 4.534 ( 0.000 4.038 -2.384) 4.689 4.534 ( 0.000 4.038 2.384) 4.689 4.681 ( 0.000 1.176 -1.456) 1.871 4.681 ( 0.000 1.176 1.456) 1.871 4.712 ( 0.000 -0.544 -3.447) 3.489 4.712 ( 0.000 -0.544 3.447) 3.489 4.904 ( 0.000 -2.138 -4.074) 4.601 4.904 ( 0.000 -2.138 4.074) 4.601 4.909 ( 0.000 2.309 -1.733) 2.887 4.909 ( 0.000 2.309 1.733) 2.887 5.008 ( 0.000 6.120 -6.325) 8.801 5.008 ( 0.000 6.120 6.325) 8.801 5.172 ( 0.000 6.673 -1.589) 6.860 5.172 ( 0.000 6.673 1.589) 6.860 5.299 ( 0.000 -3.746 -2.405) 4.452 5.299 ( 0.000 -3.746 2.405) 4.452 5.356 ( 0.000 0.312 -2.846) 2.863 5.356 ( 0.000 0.312 2.846) 2.863 5.557 ( 0.000 -0.739 -5.658) 5.706 5.557 ( 0.000 -0.739 5.658) 5.706 5.631 ( 0.000 0.301 -2.262) 2.282 5.631 ( 0.000 0.301 2.262) 2.282 5.821 ( 0.000 5.424 -4.689) 7.170 5.821 ( 0.000 5.424 4.689) 7.170 5.976 ( 0.000 -0.901 -13.496) 13.526 5.976 ( 0.000 -0.901 13.496) 13.526 6.323 ( 0.000 -5.488 -11.170) 12.446 6.323 ( 0.000 -5.488 11.170) 12.446 6.331 ( 0.000 -2.037 -6.710) 7.012 6.331 ( 0.000 -2.037 6.710) 7.012 6.406 ( 0.000 -0.050 -3.525) 3.525 6.406 ( 0.000 -0.050 3.525) 3.525 6.574 ( 0.000 -0.019 -4.730) 4.730 6.574 ( 0.000 -0.019 4.730) 4.730 6.856 ( 0.000 11.074 -8.320) 13.851 6.856 ( 0.000 11.074 8.320) 13.851 6.866 ( 0.000 5.171 -9.181) 10.537 6.866 ( 0.000 5.171 9.181) 10.537 7.486 ( 0.000 -4.490 -4.513) 6.366 7.486 ( 0.000 -4.490 4.513) 6.366 7.735 ( 0.000 -6.154 -4.240) 7.473 7.735 ( 0.000 -6.154 4.240) 7.473 7.924 ( 0.000 0.002 -0.563) 0.563 7.924 ( 0.000 0.002 0.563) 0.563 8.021 ( 0.000 -4.390 -2.147) 4.887 8.021 ( 0.000 -4.390 2.147) 4.887 8.157 ( 0.000 3.103 -3.195) 4.454 8.157 ( 0.000 3.103 3.195) 4.454 8.364 ( 0.000 -3.323 -3.536) 4.852 8.364 ( 0.000 -3.323 3.536) 4.852 8.466 ( 0.000 -3.748 -4.753) 6.053 8.466 ( 0.000 -3.748 4.753) 6.053 8.525 ( 0.000 -5.806 -13.705) 14.884 8.525 ( 0.000 -5.806 13.705) 14.884 9.143 ( 0.000 7.852 -5.953) 9.854 9.143 ( 0.000 7.852 5.953) 9.854 9.400 ( 0.000 -3.256 -7.571) 8.242 9.400 ( 0.000 -3.256 7.571) 8.242 10.463 ( 0.000 5.370 -11.023) 12.262 10.463 ( 0.000 5.370 11.023) 12.262 10.691 ( 0.000 -3.386 -17.990) 18.306 10.691 ( 0.000 -3.386 17.990) 18.306 11.301 ( 0.000 -0.095 -5.738) 5.738 11.301 ( 0.000 -0.095 5.738) 5.738 11.383 ( 0.000 -1.850 -12.214) 12.353 11.383 ( 0.000 -1.850 12.214) 12.353 12.013 ( 0.000 7.790 -21.437) 22.808 12.013 ( 0.000 7.790 21.437) 22.808 12.614 ( 0.000 -17.150 -7.045) 18.540 12.614 ( 0.000 -17.150 7.045) 18.540 12.860 ( 0.000 2.409 -10.178) 10.459 12.860 ( 0.000 2.409 10.178) 10.459 12.979 ( 0.000 -1.656 -10.750) 10.877 12.979 ( 0.000 -1.656 10.750) 10.877 13.566 ( 0.000 5.028 -16.250) 17.010 13.566 ( 0.000 5.028 16.250) 17.010 13.916 ( 0.000 -9.627 -23.817) 25.689 13.916 ( 0.000 -9.627 23.817) 25.689 15.131 ( 0.000 3.238 -6.132) 6.934 15.131 ( 0.000 3.238 6.132) 6.934 15.252 ( 0.000 0.686 -7.915) 7.945 15.252 ( 0.000 0.686 7.915) 7.945 15.701 ( 0.000 2.602 -0.698) 2.694 15.701 ( 0.000 2.602 0.698) 2.694 15.730 ( 0.000 6.640 -2.321) 7.034 15.730 ( 0.000 6.640 2.321) 7.034 16.039 ( 0.000 -4.571 -6.654) 8.073 16.039 ( 0.000 -4.571 6.654) 8.073 16.179 ( 0.000 -4.564 -4.473) 6.391 16.179 ( 0.000 -4.564 4.473) 6.391 ======================= Grid point 110 (37/45) ======================= q-point: ( 0.11 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 5.627 8.453 -1.541) 10.271 0.971 ( 5.627 8.453 1.541) 10.271 1.067 ( 13.855 5.404 -12.147) 19.202 1.067 ( 13.855 5.404 12.147) 19.202 1.221 ( 5.077 10.511 -6.217) 13.225 1.221 ( 5.077 10.511 6.217) 13.225 1.361 ( 4.701 -4.462 -3.176) 7.218 1.361 ( 4.701 -4.462 3.176) 7.218 1.426 ( 7.677 -3.517 -6.383) 10.585 1.426 ( 7.677 -3.517 6.383) 10.585 1.711 ( 2.996 -3.123 -6.323) 7.662 1.711 ( 2.996 -3.123 6.323) 7.662 1.958 ( 0.948 -0.100 -4.681) 4.777 1.958 ( 0.948 -0.100 4.681) 4.777 2.005 ( 3.174 -1.502 -3.282) 4.806 2.005 ( 3.174 -1.502 3.282) 4.806 2.199 ( -3.588 0.356 -4.689) 5.915 2.199 ( -3.588 0.356 4.689) 5.915 2.293 ( -2.769 2.297 -2.508) 4.385 2.293 ( -2.769 2.297 2.508) 4.385 2.383 ( 0.178 -2.200 -6.772) 7.123 2.383 ( 0.178 -2.200 6.772) 7.123 2.451 ( 1.470 -1.142 -5.405) 5.717 2.451 ( 1.470 -1.142 5.405) 5.717 2.520 ( 2.487 -0.857 -1.352) 2.958 2.520 ( 2.487 -0.857 1.352) 2.958 2.696 ( 1.836 -8.037 -5.710) 10.028 2.696 ( 1.836 -8.037 5.710) 10.028 2.892 ( -4.166 4.098 -7.751) 9.707 2.892 ( -4.166 4.098 7.751) 9.707 2.977 ( -2.994 0.407 -4.382) 5.323 2.977 ( -2.994 0.407 4.382) 5.323 3.090 ( -1.493 5.424 -4.792) 7.391 3.090 ( -1.493 5.424 4.792) 7.391 3.370 ( 0.698 -4.437 -3.840) 5.909 3.370 ( 0.698 -4.437 3.840) 5.909 3.539 ( -4.060 0.123 -2.124) 4.583 3.539 ( -4.060 0.123 2.124) 4.583 3.620 ( -2.600 -3.260 -4.158) 5.889 3.620 ( -2.600 -3.260 4.158) 5.889 3.861 ( 1.522 1.353 -1.310) 2.421 3.861 ( 1.522 1.353 1.310) 2.421 3.911 ( -1.045 -0.676 -1.245) 1.761 3.911 ( -1.045 -0.676 1.245) 1.761 4.086 ( 4.507 4.715 -3.328) 7.323 4.086 ( 4.507 4.715 3.328) 7.323 4.199 ( 4.629 0.483 -4.001) 6.138 4.199 ( 4.629 0.483 4.001) 6.138 4.303 ( 1.041 4.031 -0.648) 4.213 4.303 ( 1.041 4.031 0.648) 4.213 4.384 ( 1.780 0.413 -2.347) 2.974 4.384 ( 1.780 0.413 2.347) 2.974 4.484 ( 0.883 3.303 -1.630) 3.788 4.484 ( 0.883 3.303 1.630) 3.788 4.621 ( 3.243 1.059 -0.462) 3.443 4.621 ( 3.243 1.059 0.462) 3.443 4.673 ( -0.014 0.754 -1.655) 1.819 4.673 ( -0.014 0.754 1.655) 1.819 4.761 ( 3.604 0.049 -4.056) 5.426 4.761 ( 3.604 0.049 4.056) 5.426 4.905 ( 1.196 0.202 -3.681) 3.876 4.905 ( 1.196 0.202 3.681) 3.876 4.932 ( 1.384 -0.747 -0.662) 1.706 4.932 ( 1.384 -0.747 0.662) 1.706 5.067 ( 5.496 5.137 -4.237) 8.634 5.067 ( 5.496 5.137 4.237) 8.634 5.236 ( 5.752 6.659 -1.316) 8.897 5.236 ( 5.752 6.659 1.316) 8.897 5.308 ( 1.864 -2.748 -2.289) 4.033 5.308 ( 1.864 -2.748 2.289) 4.033 5.450 ( 7.829 0.979 -2.507) 8.279 5.450 ( 7.829 0.979 2.507) 8.279 5.589 ( 2.662 0.276 -3.879) 4.713 5.589 ( 2.662 0.276 3.879) 4.713 5.661 ( 3.503 -0.719 -1.637) 3.933 5.661 ( 3.503 -0.719 1.637) 3.933 5.850 ( 3.026 4.748 -3.836) 6.813 5.850 ( 3.026 4.748 3.836) 6.813 5.984 ( 1.117 -0.272 -10.925) 10.985 5.984 ( 1.117 -0.272 10.925) 10.985 6.189 ( -8.749 2.157 -4.458) 10.054 6.189 ( -8.749 2.157 4.458) 10.054 6.317 ( -1.681 -2.857 -7.502) 8.202 6.317 ( -1.681 -2.857 7.502) 8.202 6.362 ( -0.980 -0.987 -6.350) 6.501 6.362 ( -0.980 -0.987 6.350) 6.501 6.643 ( 2.009 -3.547 -1.337) 4.291 6.643 ( 2.009 -3.547 1.337) 4.291 6.824 ( 1.956 5.891 -8.016) 10.139 6.824 ( 1.956 5.891 8.016) 10.139 7.099 ( 13.829 0.998 -4.553) 14.594 7.099 ( 13.829 0.998 4.553) 14.594 7.434 ( -3.917 -2.473 -2.209) 5.132 7.434 ( -3.917 -2.473 2.209) 5.132 7.720 ( -1.485 -9.605 -4.746) 10.816 7.720 ( -1.485 -9.605 4.746) 10.816 7.983 ( 3.809 -0.599 -4.192) 5.696 7.983 ( 3.809 -0.599 4.192) 5.696 8.081 ( 3.506 -3.486 -4.275) 6.536 8.081 ( 3.506 -3.486 4.275) 6.536 8.133 ( 1.667 2.612 -3.194) 4.449 8.133 ( 1.667 2.612 3.194) 4.449 8.279 ( -4.695 0.487 -3.796) 6.057 8.279 ( -4.695 0.487 3.796) 6.057 8.525 ( 4.657 -0.944 -2.709) 5.470 8.525 ( 4.657 -0.944 2.709) 5.470 8.627 ( 8.033 -4.175 -11.209) 14.408 8.627 ( 8.033 -4.175 11.209) 14.408 9.189 ( 4.446 5.596 -7.388) 10.279 9.189 ( 4.446 5.596 7.388) 10.279 9.405 ( 0.639 -2.928 -9.108) 9.588 9.405 ( 0.639 -2.928 9.108) 9.588 10.520 ( 5.905 5.375 -9.719) 12.579 10.520 ( 5.905 5.375 9.719) 12.579 10.770 ( 7.600 -4.064 -16.587) 18.693 10.770 ( 7.600 -4.064 16.587) 18.693 11.234 ( -5.773 1.034 -5.716) 8.189 11.234 ( -5.773 1.034 5.716) 8.189 11.342 ( -3.862 -1.917 -9.348) 10.294 11.342 ( -3.862 -1.917 9.348) 10.294 12.048 ( 3.322 6.700 -17.993) 19.485 12.048 ( 3.322 6.700 17.993) 19.485 12.573 ( -3.909 -14.488 -4.891) 15.783 12.573 ( -3.909 -14.488 4.891) 15.783 12.828 ( -3.659 2.363 -7.714) 8.859 12.828 ( -3.659 2.363 7.714) 8.859 12.932 ( -4.783 -1.121 -8.231) 9.586 12.932 ( -4.783 -1.121 8.231) 9.586 13.575 ( 2.476 6.870 -14.894) 16.588 13.575 ( 2.476 6.870 14.894) 16.588 13.990 ( 5.612 -10.394 -16.932) 20.645 13.990 ( 5.612 -10.394 16.932) 20.645 15.109 ( -2.552 3.480 -5.947) 7.348 15.109 ( -2.552 3.480 5.947) 7.348 15.205 ( -4.230 2.085 -5.036) 6.899 15.205 ( -4.230 2.085 5.036) 6.899 15.596 ( -5.805 2.804 -5.577) 8.524 15.596 ( -5.805 2.804 5.577) 8.524 15.761 ( -1.293 1.198 -7.481) 7.686 15.761 ( -1.293 1.198 7.481) 7.686 16.006 ( -2.308 -2.366 -6.319) 7.131 16.006 ( -2.308 -2.366 6.319) 7.131 16.165 ( -1.543 -3.723 -3.017) 5.035 16.165 ( -1.543 -3.723 3.017) 5.035 ======================= Grid point 112 (38/45) ======================= q-point: ( 0.22 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 7.896 8.886 -5.198) 12.974 1.096 ( 7.896 8.886 5.198) 12.974 1.275 ( 6.899 8.790 -8.961) 14.324 1.275 ( 6.899 8.790 8.961) 14.324 1.395 ( 9.904 2.376 -2.121) 10.403 1.395 ( 9.904 2.376 2.121) 10.403 1.469 ( 6.121 -5.883 -3.128) 9.048 1.469 ( 6.121 -5.883 3.128) 9.048 1.648 ( 12.726 -1.003 -4.736) 13.616 1.648 ( 12.726 -1.003 4.736) 13.616 1.816 ( 8.377 -3.267 -2.536) 9.342 1.816 ( 8.377 -3.267 2.536) 9.342 1.963 ( -0.823 -0.360 -5.121) 5.199 1.963 ( -0.823 -0.360 5.121) 5.199 2.058 ( 2.103 -2.169 -3.421) 4.564 2.058 ( 2.103 -2.169 3.421) 4.564 2.144 ( -1.150 2.426 -3.795) 4.649 2.144 ( -1.150 2.426 3.795) 4.649 2.251 ( -1.477 2.812 -1.912) 3.708 2.251 ( -1.477 2.812 1.912) 3.708 2.344 ( -3.502 -1.224 -2.628) 4.546 2.344 ( -3.502 -1.224 2.628) 4.546 2.483 ( 1.122 -4.073 -2.915) 5.133 2.483 ( 1.122 -4.073 2.915) 5.133 2.596 ( 3.913 -0.939 -4.787) 6.253 2.596 ( 3.913 -0.939 4.787) 6.253 2.722 ( 0.156 -2.655 -7.504) 7.962 2.722 ( 0.156 -2.655 7.504) 7.962 2.814 ( -1.973 1.381 -5.142) 5.678 2.814 ( -1.973 1.381 5.142) 5.678 2.913 ( -2.202 -0.251 -1.431) 2.638 2.913 ( -2.202 -0.251 1.431) 2.638 3.061 ( -1.250 5.770 -2.662) 6.476 3.061 ( -1.250 5.770 2.662) 6.476 3.358 ( -1.184 -4.317 -4.872) 6.616 3.358 ( -1.184 -4.317 4.872) 6.616 3.492 ( -1.243 0.024 -3.984) 4.173 3.492 ( -1.243 0.024 3.984) 4.173 3.621 ( 1.862 -2.499 -0.155) 3.120 3.621 ( 1.862 -2.499 0.155) 3.120 3.841 ( -2.701 1.528 -3.506) 4.682 3.841 ( -2.701 1.528 3.506) 4.682 3.905 ( 0.953 0.127 -3.974) 4.089 3.905 ( 0.953 0.127 3.974) 4.089 4.157 ( 1.528 4.644 -3.457) 5.988 4.157 ( 1.528 4.644 3.457) 5.988 4.260 ( 1.165 -0.101 -2.871) 3.100 4.260 ( 1.165 -0.101 2.871) 3.100 4.320 ( 0.718 2.952 -1.848) 3.556 4.320 ( 0.718 2.952 1.848) 3.556 4.437 ( 4.507 2.316 -1.089) 5.183 4.437 ( 4.507 2.316 1.089) 5.183 4.548 ( 3.656 -1.128 -2.411) 4.523 4.548 ( 3.656 -1.128 2.411) 4.523 4.632 ( -2.195 2.226 -2.315) 3.890 4.632 ( -2.195 2.226 2.315) 3.890 4.701 ( 3.746 -0.074 -1.745) 4.133 4.701 ( 3.746 -0.074 1.745) 4.133 4.816 ( 1.057 0.783 -4.116) 4.321 4.816 ( 1.057 0.783 4.116) 4.321 4.927 ( 0.514 0.498 -5.425) 5.472 4.927 ( 0.514 0.498 5.425) 5.472 4.975 ( 3.586 -0.744 -2.545) 4.460 4.975 ( 3.586 -0.744 2.545) 4.460 5.170 ( 3.878 4.157 -1.569) 5.898 5.170 ( 3.878 4.157 1.569) 5.898 5.326 ( 3.027 5.895 -3.670) 7.575 5.326 ( 3.027 5.895 3.670) 7.575 5.386 ( 5.161 -2.182 -1.530) 5.809 5.386 ( 5.161 -2.182 1.530) 5.809 5.607 ( 6.760 2.995 -4.946) 8.895 5.607 ( 6.760 2.995 4.946) 8.895 5.632 ( 3.351 -0.352 -2.457) 4.170 5.632 ( 3.351 -0.352 2.457) 4.170 5.784 ( 6.951 -2.334 -3.093) 7.958 5.784 ( 6.951 -2.334 3.093) 7.958 5.925 ( 4.242 4.495 -3.358) 7.034 5.925 ( 4.242 4.495 3.358) 7.034 6.037 ( 3.749 3.833 -1.779) 5.649 6.037 ( 3.749 3.833 1.779) 5.649 6.080 ( -1.621 0.496 -2.027) 2.642 6.080 ( -1.621 0.496 2.027) 2.642 6.288 ( -1.140 0.011 -3.645) 3.819 6.288 ( -1.140 0.011 3.645) 3.819 6.376 ( 2.883 -1.874 -8.024) 8.730 6.376 ( 2.883 -1.874 8.024) 8.730 6.667 ( 2.345 -4.016 -4.882) 6.743 6.667 ( 2.345 -4.016 4.882) 6.743 6.869 ( 0.722 -0.417 -3.670) 3.763 6.869 ( 0.722 -0.417 3.670) 3.763 7.229 ( -1.914 -10.317 -11.329) 15.441 7.229 ( -1.914 -10.317 11.329) 15.441 7.406 ( 2.020 3.698 -9.826) 10.692 7.406 ( 2.020 3.698 9.826) 10.692 7.686 ( -2.200 -9.009 -5.985) 11.037 7.686 ( -2.200 -9.009 5.985) 11.037 8.000 ( 0.279 -1.342 -5.252) 5.428 8.000 ( 0.279 -1.342 5.252) 5.428 8.099 ( 0.333 -3.502 -6.757) 7.618 8.099 ( 0.333 -3.502 6.757) 7.618 8.244 ( 4.418 3.941 -1.718) 6.165 8.244 ( 4.418 3.941 1.718) 6.165 8.326 ( 10.268 3.584 -4.875) 11.919 8.326 ( 10.268 3.584 4.875) 11.919 8.638 ( 7.325 2.162 -4.062) 8.650 8.638 ( 7.325 2.162 4.062) 8.650 8.781 ( 6.578 -2.538 -8.602) 11.122 8.781 ( 6.578 -2.538 8.602) 11.122 9.298 ( 6.214 2.338 -5.240) 8.458 9.298 ( 6.214 2.338 5.240) 8.458 9.438 ( 3.233 -2.139 -9.248) 10.028 9.438 ( 3.233 -2.139 9.248) 10.028 10.680 ( 9.696 5.123 -6.597) 12.797 10.680 ( 9.696 5.123 6.597) 12.797 10.941 ( 7.423 -4.742 -8.131) 11.987 10.941 ( 7.423 -4.742 8.131) 11.987 11.141 ( -1.223 2.369 -7.691) 8.139 11.141 ( -1.223 2.369 7.691) 8.139 11.273 ( -1.356 -1.854 -9.811) 10.077 11.273 ( -1.356 -1.854 9.811) 10.077 12.127 ( 4.347 4.163 -12.253) 13.652 12.127 ( 4.347 4.163 12.253) 13.652 12.467 ( -7.324 -7.897 -7.701) 13.240 12.467 ( -7.324 -7.897 7.701) 13.240 12.708 ( -8.363 2.053 -6.567) 10.830 12.708 ( -8.363 2.053 6.567) 10.830 12.801 ( -8.269 -0.572 -3.765) 9.104 12.801 ( -8.269 -0.572 3.765) 9.104 13.684 ( 8.035 6.427 -12.623) 16.285 13.684 ( 8.035 6.427 12.623) 16.285 14.072 ( 2.033 -8.619 -9.252) 12.806 14.072 ( 2.033 -8.619 9.252) 12.806 15.024 ( -5.535 4.161 -5.458) 8.817 15.024 ( -5.535 4.161 5.458) 8.817 15.126 ( -3.432 1.061 -5.302) 6.405 15.126 ( -3.432 1.061 5.302) 6.405 15.510 ( -3.030 1.202 -5.254) 6.183 15.510 ( -3.030 1.202 5.254) 6.183 15.678 ( -6.066 -3.486 -9.683) 11.946 15.678 ( -6.066 -3.486 9.683) 11.946 15.980 ( -0.537 0.973 -5.133) 5.252 15.980 ( -0.537 0.973 5.133) 5.252 16.118 ( -3.163 -2.428 -0.734) 4.054 16.118 ( -3.163 -2.428 0.734) 4.054 ======================= Grid point 114 (39/45) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 10.377 5.793 -5.251) 12.992 1.278 ( 10.377 5.793 5.251) 12.992 1.402 ( 6.179 5.508 -6.782) 10.701 1.402 ( 6.179 5.508 6.782) 10.701 1.506 ( 3.205 0.304 -0.609) 3.276 1.506 ( 3.205 0.304 0.609) 3.276 1.598 ( 6.106 -4.731 -1.794) 7.930 1.598 ( 6.106 -4.731 1.794) 7.930 1.826 ( 4.833 0.495 -3.219) 5.828 1.826 ( 4.833 0.495 3.219) 5.828 1.903 ( -2.158 1.506 -1.834) 3.208 1.903 ( -2.158 1.506 1.834) 3.208 2.011 ( 6.090 -2.338 -0.592) 6.551 2.011 ( 6.090 -2.338 0.592) 6.551 2.073 ( -0.809 -2.486 -2.348) 3.514 2.073 ( -0.809 -2.486 2.348) 3.514 2.151 ( 1.022 2.655 -2.202) 3.598 2.151 ( 1.022 2.655 2.202) 3.598 2.226 ( -3.218 1.462 -3.553) 5.011 2.226 ( -3.218 1.462 3.553) 5.011 2.316 ( 3.489 -2.835 -3.027) 5.420 2.316 ( 3.489 -2.835 3.027) 5.420 2.470 ( -2.069 -3.768 -4.304) 6.083 2.470 ( -2.069 -3.768 4.304) 6.083 2.627 ( -0.430 -0.450 -1.881) 1.981 2.627 ( -0.430 -0.450 1.881) 1.981 2.705 ( 1.298 4.561 -1.468) 4.964 2.705 ( 1.298 4.561 1.468) 4.964 2.837 ( 0.959 -0.233 -2.880) 3.045 2.837 ( 0.959 -0.233 2.880) 3.045 2.957 ( 6.357 -3.124 -5.704) 9.094 2.957 ( 6.357 -3.124 5.704) 9.094 3.048 ( 0.672 5.580 -3.339) 6.538 3.048 ( 0.672 5.580 3.339) 6.538 3.338 ( -1.071 -3.814 -6.178) 7.339 3.338 ( -1.071 -3.814 6.178) 7.339 3.491 ( 0.839 1.839 -3.539) 4.075 3.491 ( 0.839 1.839 3.539) 4.075 3.633 ( -1.234 -1.385 -2.403) 3.036 3.633 ( -1.234 -1.385 2.403) 3.036 3.805 ( -0.535 2.536 -4.265) 4.991 3.805 ( -0.535 2.536 4.265) 4.991 3.911 ( -0.786 -0.299 -2.712) 2.839 3.911 ( -0.786 -0.299 2.712) 2.839 4.171 ( 0.853 1.842 -1.817) 2.725 4.171 ( 0.853 1.842 1.817) 2.725 4.265 ( -0.669 -1.006 -2.321) 2.617 4.265 ( -0.669 -1.006 2.321) 2.617 4.346 ( 2.487 2.841 -0.682) 3.837 4.346 ( 2.487 2.841 0.682) 3.837 4.507 ( 1.764 1.545 -2.161) 3.189 4.507 ( 1.764 1.545 2.161) 3.189 4.572 ( -2.714 3.854 -2.602) 5.384 4.572 ( -2.714 3.854 2.602) 5.384 4.609 ( 1.793 0.038 -2.700) 3.241 4.609 ( 1.793 0.038 2.700) 3.241 4.738 ( -1.874 -2.417 -1.036) 3.229 4.738 ( -1.874 -2.417 1.036) 3.229 4.798 ( -1.581 -0.524 -2.561) 3.055 4.798 ( -1.581 -0.524 2.561) 3.055 4.959 ( 4.057 2.826 -4.295) 6.549 4.959 ( 4.057 2.826 4.295) 6.549 5.068 ( 5.086 -3.154 -0.932) 6.057 5.068 ( 5.086 -3.154 0.932) 6.057 5.214 ( 0.936 2.892 -0.998) 3.199 5.214 ( 0.936 2.892 0.998) 3.199 5.369 ( 0.359 2.381 -3.308) 4.092 5.369 ( 0.359 2.381 3.308) 4.092 5.451 ( 2.497 -0.036 -4.861) 5.465 5.451 ( 2.497 -0.036 4.861) 5.465 5.682 ( 3.755 1.194 -4.904) 6.291 5.682 ( 3.755 1.194 4.904) 6.291 5.752 ( 5.492 1.502 -2.817) 6.353 5.752 ( 5.492 1.502 2.817) 6.353 5.874 ( 2.309 1.712 -2.599) 3.876 5.874 ( 2.309 1.712 2.599) 3.876 5.974 ( -0.736 3.916 -2.784) 4.860 5.974 ( -0.736 3.916 2.784) 4.860 6.000 ( -2.695 1.278 -3.660) 4.721 6.000 ( -2.695 1.278 3.660) 4.721 6.209 ( 9.054 -1.761 -7.884) 12.134 6.209 ( 9.054 -1.761 7.884) 12.134 6.316 ( 4.989 2.952 -4.118) 7.111 6.316 ( 4.989 2.952 4.118) 7.111 6.451 ( 3.739 -0.909 -8.407) 9.246 6.451 ( 3.739 -0.909 8.407) 9.246 6.737 ( 0.623 -7.595 -6.768) 10.193 6.737 ( 0.623 -7.595 6.768) 10.193 6.846 ( 0.635 -1.109 -5.750) 5.890 6.846 ( 0.635 -1.109 5.750) 5.890 7.133 ( -5.972 -11.077 -5.682) 13.807 7.133 ( -5.972 -11.077 5.682) 13.807 7.451 ( 2.653 2.087 -10.689) 11.209 7.451 ( 2.653 2.087 10.689) 11.209 7.635 ( -2.680 -5.469 -6.891) 9.197 7.635 ( -2.680 -5.469 6.891) 9.197 8.047 ( 2.510 1.749 -5.298) 6.118 8.047 ( 2.510 1.749 5.298) 6.118 8.140 ( 3.976 -1.262 -4.543) 6.167 8.140 ( 3.976 -1.262 4.543) 6.167 8.274 ( 1.289 7.383 -1.213) 7.592 8.274 ( 1.289 7.383 1.213) 7.592 8.560 ( 10.798 -1.384 -4.037) 11.611 8.560 ( 10.798 -1.384 4.037) 11.611 8.772 ( 4.279 0.402 -4.634) 6.320 8.772 ( 4.279 0.402 4.634) 6.320 8.861 ( 2.603 -0.114 -2.898) 3.897 8.861 ( 2.603 -0.114 2.898) 3.897 9.416 ( 5.892 0.846 -8.491) 10.369 9.416 ( 5.892 0.846 8.491) 10.369 9.522 ( 4.355 -2.078 -3.864) 6.182 9.522 ( 4.355 -2.078 3.864) 6.182 10.832 ( 4.491 3.809 -0.271) 5.895 10.832 ( 4.491 3.809 0.271) 5.895 10.976 ( -1.286 -1.362 -6.620) 6.880 10.976 ( -1.286 -1.362 6.620) 6.880 11.250 ( 11.203 1.647 -11.081) 15.843 11.250 ( 11.203 1.647 11.081) 15.843 11.391 ( 13.309 -3.198 -3.791) 14.203 11.391 ( 13.309 -3.198 3.791) 14.203 12.176 ( -2.241 0.050 -14.251) 14.427 12.176 ( -2.241 0.050 14.251) 14.427 12.277 ( -11.251 -1.279 -16.306) 19.852 12.277 ( -11.251 -1.279 16.306) 19.852 12.528 ( -8.780 2.437 -5.930) 10.871 12.528 ( -8.780 2.437 5.930) 10.871 12.645 ( -6.896 -1.098 -4.425) 8.267 12.645 ( -6.896 -1.098 4.425) 8.267 13.846 ( 7.719 3.631 -9.474) 12.749 13.846 ( 7.719 3.631 9.474) 12.749 14.068 ( -1.881 -4.489 -4.645) 6.728 14.068 ( -1.881 -4.489 4.645) 6.728 14.938 ( -2.541 2.525 -7.123) 7.973 14.938 ( -2.541 2.525 7.123) 7.973 15.067 ( -2.846 -1.588 -5.107) 6.058 15.067 ( -2.846 -1.588 5.107) 6.058 15.473 ( -0.946 1.746 -3.115) 3.694 15.473 ( -0.946 1.746 3.115) 3.694 15.567 ( -4.847 -2.168 -7.981) 9.586 15.567 ( -4.847 -2.168 7.981) 9.586 15.973 ( -0.304 0.597 -3.897) 3.954 15.973 ( -0.304 0.597 3.897) 3.954 16.051 ( -3.475 -1.645 -0.711) 3.910 16.051 ( -3.475 -1.645 0.711) 3.910 ======================= Grid point 116 (40/45) ======================= q-point: ( 0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 5.976 1.241 -4.432) 7.544 1.455 ( 5.976 1.241 4.432) 7.544 1.494 ( 1.895 1.007 -2.878) 3.590 1.494 ( 1.895 1.007 2.878) 3.590 1.575 ( 5.637 2.701 -3.198) 7.021 1.575 ( 5.637 2.701 3.198) 7.021 1.670 ( -0.514 -0.989 -0.654) 1.292 1.670 ( -0.514 -0.989 0.654) 1.292 1.832 ( -0.602 0.362 -0.445) 0.832 1.832 ( -0.602 0.362 0.445) 0.832 1.870 ( -2.496 -0.264 -1.469) 2.909 1.870 ( -2.496 -0.264 1.469) 2.909 2.030 ( 0.623 1.987 -0.238) 2.096 2.030 ( 0.623 1.987 0.238) 2.096 2.077 ( -3.025 2.183 -1.904) 4.189 2.077 ( -3.025 2.183 1.904) 4.189 2.162 ( 2.782 -1.231 -1.699) 3.485 2.162 ( 2.782 -1.231 1.699) 3.485 2.201 ( -0.437 -0.146 -1.542) 1.609 2.201 ( -0.437 -0.146 1.542) 1.609 2.368 ( 1.863 -5.041 -1.275) 5.524 2.368 ( 1.863 -5.041 1.275) 5.524 2.424 ( -3.130 -4.312 -3.238) 6.235 2.424 ( -3.130 -4.312 3.238) 6.235 2.660 ( 3.870 3.183 -1.397) 5.202 2.660 ( 3.870 3.183 1.397) 5.202 2.724 ( -1.503 2.417 -1.858) 3.399 2.724 ( -1.503 2.417 1.858) 3.399 2.888 ( 4.974 1.865 -2.480) 5.862 2.888 ( 4.974 1.865 2.480) 5.862 2.976 ( -2.965 0.253 -4.118) 5.081 2.976 ( -2.965 0.253 4.118) 5.081 3.169 ( 8.412 0.083 -4.729) 9.650 3.169 ( 8.412 0.083 4.729) 9.650 3.295 ( -4.086 -1.935 -4.845) 6.627 3.295 ( -4.086 -1.935 4.845) 6.627 3.519 ( 2.264 1.793 -2.382) 3.743 3.519 ( 2.264 1.793 2.382) 3.743 3.580 ( -3.596 0.045 -2.935) 4.642 3.580 ( -3.596 0.045 2.935) 4.642 3.825 ( 2.298 2.101 -6.014) 6.772 3.825 ( 2.298 2.101 6.014) 6.772 3.876 ( -2.529 1.168 -5.061) 5.777 3.876 ( -2.529 1.168 5.061) 5.777 4.197 ( 1.700 -0.876 -0.756) 2.056 4.197 ( 1.700 -0.876 0.756) 2.056 4.235 ( -2.062 -1.657 -1.659) 3.123 4.235 ( -2.062 -1.657 1.659) 3.123 4.419 ( 4.455 3.562 -2.463) 6.213 4.419 ( 4.455 3.562 2.463) 6.213 4.494 ( -3.057 2.732 -0.505) 4.131 4.494 ( -3.057 2.732 0.505) 4.131 4.543 ( 1.038 3.812 -1.686) 4.296 4.543 ( 1.038 3.812 1.686) 4.296 4.601 ( -3.723 3.512 -0.127) 5.119 4.601 ( -3.723 3.512 0.127) 5.119 4.711 ( 1.847 -3.468 -2.694) 4.764 4.711 ( 1.847 -3.468 2.694) 4.764 4.763 ( -2.439 -1.854 -3.550) 4.689 4.763 ( -2.439 -1.854 3.550) 4.689 5.062 ( 5.622 -0.607 -1.790) 5.931 5.062 ( 5.622 -0.607 1.790) 5.931 5.143 ( -0.066 -0.410 -4.460) 4.479 5.143 ( -0.066 -0.410 4.460) 4.479 5.213 ( 1.738 -3.960 -0.914) 4.420 5.213 ( 1.738 -3.960 0.914) 4.420 5.306 ( -5.475 -2.492 -2.990) 6.718 5.306 ( -5.475 -2.492 2.990) 6.718 5.561 ( 8.241 5.096 -4.198) 10.559 5.561 ( 8.241 5.096 4.198) 10.559 5.707 ( -4.387 3.052 -3.663) 6.479 5.707 ( -4.387 3.052 3.663) 6.479 5.823 ( 3.584 2.967 -1.413) 4.863 5.823 ( 3.584 2.967 1.413) 4.863 5.891 ( -1.416 4.326 -2.070) 5.001 5.891 ( -1.416 4.326 2.070) 5.001 5.928 ( 0.438 1.009 -3.630) 3.793 5.928 ( 0.438 1.009 3.630) 3.793 5.972 ( -1.879 0.823 -2.057) 2.905 5.972 ( -1.879 0.823 2.057) 2.905 6.386 ( 7.642 -2.286 -14.339) 16.409 6.386 ( 7.642 -2.286 14.339) 16.409 6.418 ( 3.878 1.835 -8.430) 9.459 6.418 ( 3.878 1.835 8.430) 9.459 6.502 ( 2.106 -1.655 -4.810) 5.506 6.502 ( 2.106 -1.655 4.810) 5.506 6.620 ( -8.548 -4.097 -7.025) 11.799 6.620 ( -8.548 -4.097 7.025) 11.799 6.944 ( 5.475 -5.798 -1.984) 8.218 6.944 ( 5.475 -5.798 1.984) 8.218 7.032 ( -4.304 -8.721 -2.570) 10.059 7.032 ( -4.304 -8.721 2.570) 10.059 7.520 ( 4.068 -0.812 -6.643) 7.832 7.520 ( 4.068 -0.812 6.643) 7.832 7.587 ( -2.624 -3.484 -4.053) 5.954 7.587 ( -2.624 -3.484 4.053) 5.954 8.075 ( 1.743 6.991 -5.267) 8.925 8.075 ( 1.743 6.991 5.267) 8.925 8.134 ( -3.686 9.435 -2.246) 10.376 8.134 ( -3.686 9.435 2.246) 10.376 8.425 ( 11.814 -3.152 -2.444) 12.469 8.425 ( 11.814 -3.152 2.444) 12.469 8.621 ( -6.117 -6.605 -3.574) 9.686 8.621 ( -6.117 -6.605 3.574) 9.686 8.835 ( 4.944 3.549 -4.270) 7.434 8.835 ( 4.944 3.549 4.270) 7.434 8.898 ( -0.352 1.684 -1.527) 2.300 8.898 ( -0.352 1.684 1.527) 2.300 9.520 ( 4.436 -0.913 -9.739) 10.740 9.520 ( 4.436 -0.913 9.739) 10.740 9.568 ( -0.105 -2.150 -4.955) 5.402 9.568 ( -0.105 -2.150 4.955) 5.402 10.888 ( 2.558 2.033 -0.318) 3.283 10.888 ( 2.558 2.033 0.318) 3.283 10.939 ( -2.393 0.137 -4.525) 5.121 10.939 ( -2.393 0.137 4.525) 5.121 11.547 ( 17.444 1.867 -3.869) 17.965 11.547 ( 17.444 1.867 3.869) 17.965 11.684 ( 13.496 -3.308 -0.588) 13.908 11.684 ( 13.496 -3.308 0.588) 13.908 11.953 ( -13.819 1.293 -3.144) 14.231 11.953 ( -13.819 1.293 3.144) 14.231 12.058 ( -14.202 -2.842 -3.003) 14.792 12.058 ( -14.202 -2.842 3.003) 14.792 12.465 ( 1.914 2.401 -4.093) 5.116 12.465 ( 1.914 2.401 4.093) 5.116 12.535 ( -4.672 -0.217 -1.324) 4.860 12.535 ( -4.672 -0.217 1.324) 4.860 13.961 ( 4.041 0.972 -4.624) 6.218 13.961 ( 4.041 0.972 4.624) 6.218 14.021 ( -2.651 -1.191 -0.504) 2.949 14.021 ( -2.651 -1.191 0.504) 2.949 14.939 ( 2.420 0.013 -6.313) 6.761 14.939 ( 2.420 0.013 6.313) 6.761 15.005 ( -3.646 -2.274 -3.437) 5.503 15.005 ( -3.646 -2.274 3.437) 5.503 15.469 ( 0.535 2.163 -1.570) 2.726 15.469 ( 0.535 2.163 1.570) 2.726 15.496 ( -2.395 0.866 -3.822) 4.593 15.496 ( -2.395 0.866 3.822) 4.593 15.971 ( 0.360 -0.624 -2.214) 2.328 15.971 ( 0.360 -0.624 2.214) 2.328 15.994 ( -2.109 -1.320 -0.703) 2.585 15.994 ( -2.109 -1.320 0.703) 2.585 ======================= Grid point 126 (41/45) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.000 -2.833 -8.387) 8.852 0.993 ( 0.000 2.833 -8.387) 8.852 0.993 ( 0.000 -2.833 8.387) 8.852 0.993 ( 0.000 2.833 8.387) 8.852 1.235 ( 0.000 -2.573 -8.388) 8.774 1.235 ( 0.000 2.573 -8.388) 8.774 1.235 ( 0.000 -2.573 8.388) 8.774 1.235 ( 0.000 2.573 8.388) 8.774 1.528 ( 0.000 -12.136 -2.719) 12.437 1.528 ( 0.000 -12.136 2.719) 12.437 1.528 ( 0.000 12.136 -2.719) 12.437 1.528 ( 0.000 12.136 2.719) 12.437 1.949 ( 0.000 -0.128 -7.175) 7.176 1.949 ( 0.000 0.128 -7.175) 7.176 1.949 ( 0.000 -0.128 7.175) 7.176 1.949 ( 0.000 0.128 7.175) 7.176 2.264 ( 0.000 -2.868 -4.228) 5.109 2.264 ( 0.000 2.868 -4.228) 5.109 2.264 ( 0.000 -2.868 4.228) 5.109 2.264 ( 0.000 2.868 4.228) 5.109 2.432 ( 0.000 -1.775 -6.069) 6.323 2.432 ( 0.000 1.775 -6.069) 6.323 2.432 ( 0.000 -1.775 6.069) 6.323 2.432 ( 0.000 1.775 6.069) 6.323 2.513 ( 0.000 -3.881 -4.170) 5.697 2.513 ( 0.000 3.881 -4.170) 5.697 2.513 ( 0.000 -3.881 4.170) 5.697 2.513 ( 0.000 3.881 4.170) 5.697 3.005 ( 0.000 -0.448 -4.461) 4.484 3.005 ( 0.000 0.448 -4.461) 4.484 3.005 ( 0.000 -0.448 4.461) 4.484 3.005 ( 0.000 0.448 4.461) 4.484 3.233 ( 0.000 -6.957 -6.613) 9.599 3.233 ( 0.000 6.957 -6.613) 9.599 3.233 ( 0.000 -6.957 6.613) 9.599 3.233 ( 0.000 6.957 6.613) 9.599 3.618 ( 0.000 -0.630 -4.232) 4.279 3.618 ( 0.000 0.630 -4.232) 4.279 3.618 ( 0.000 -0.630 4.232) 4.279 3.618 ( 0.000 0.630 4.232) 4.279 3.858 ( 0.000 -0.665 -4.737) 4.783 3.858 ( 0.000 0.665 -4.737) 4.783 3.858 ( 0.000 -0.665 4.737) 4.783 3.858 ( 0.000 0.665 4.737) 4.783 4.124 ( 0.000 -1.770 -0.391) 1.813 4.124 ( 0.000 -1.770 0.391) 1.813 4.124 ( 0.000 1.770 -0.391) 1.813 4.124 ( 0.000 1.770 0.391) 1.813 4.358 ( 0.000 -0.586 -3.819) 3.864 4.358 ( 0.000 0.586 -3.819) 3.864 4.358 ( 0.000 -0.586 3.819) 3.864 4.358 ( 0.000 0.586 3.819) 3.864 4.575 ( 0.000 -1.315 -4.063) 4.270 4.575 ( 0.000 1.315 -4.063) 4.270 4.575 ( 0.000 -1.315 4.063) 4.270 4.575 ( 0.000 1.315 4.063) 4.270 4.681 ( 0.000 -0.698 -1.319) 1.493 4.681 ( 0.000 0.698 -1.319) 1.493 4.681 ( 0.000 -0.698 1.319) 1.493 4.681 ( 0.000 0.698 1.319) 1.493 4.919 ( 0.000 -1.631 -3.359) 3.734 4.919 ( 0.000 1.631 -3.359) 3.734 4.919 ( 0.000 -1.631 3.359) 3.734 4.919 ( 0.000 1.631 3.359) 3.734 5.160 ( 0.000 -6.702 -4.727) 8.201 5.160 ( 0.000 6.702 -4.727) 8.201 5.160 ( 0.000 -6.702 4.727) 8.201 5.160 ( 0.000 6.702 4.727) 8.201 5.323 ( 0.000 -3.896 -1.998) 4.378 5.323 ( 0.000 -3.896 1.998) 4.378 5.323 ( 0.000 3.896 -1.998) 4.378 5.323 ( 0.000 3.896 1.998) 4.378 5.587 ( 0.000 -3.445 -0.957) 3.575 5.587 ( 0.000 -3.445 0.957) 3.575 5.587 ( 0.000 3.445 -0.957) 3.575 5.587 ( 0.000 3.445 0.957) 3.575 5.931 ( 0.000 -3.601 -8.886) 9.588 5.931 ( 0.000 3.601 -8.886) 9.588 5.931 ( 0.000 -3.601 8.886) 9.588 5.931 ( 0.000 3.601 8.886) 9.588 6.255 ( 0.000 -0.510 -8.088) 8.104 6.255 ( 0.000 0.510 -8.088) 8.104 6.255 ( 0.000 -0.510 8.088) 8.104 6.255 ( 0.000 0.510 8.088) 8.104 6.518 ( 0.000 -5.210 -4.500) 6.885 6.518 ( 0.000 5.210 -4.500) 6.885 6.518 ( 0.000 -5.210 4.500) 6.885 6.518 ( 0.000 5.210 4.500) 6.885 6.966 ( 0.000 -1.999 -5.310) 5.674 6.966 ( 0.000 1.999 -5.310) 5.674 6.966 ( 0.000 -1.999 5.310) 5.674 6.966 ( 0.000 1.999 5.310) 5.674 7.531 ( 0.000 -9.095 -3.950) 9.916 7.531 ( 0.000 -9.095 3.950) 9.916 7.531 ( 0.000 9.095 -3.950) 9.916 7.531 ( 0.000 9.095 3.950) 9.916 7.965 ( 0.000 -2.539 -7.559) 7.973 7.965 ( 0.000 2.539 -7.559) 7.973 7.965 ( 0.000 -2.539 7.559) 7.973 7.965 ( 0.000 2.539 7.559) 7.973 8.229 ( 0.000 -5.406 -7.984) 9.642 8.229 ( 0.000 5.406 -7.984) 9.642 8.229 ( 0.000 -5.406 7.984) 9.642 8.229 ( 0.000 5.406 7.984) 9.642 8.445 ( 0.000 -1.580 -10.016) 10.140 8.445 ( 0.000 1.580 -10.016) 10.140 8.445 ( 0.000 -1.580 10.016) 10.140 8.445 ( 0.000 1.580 10.016) 10.140 9.301 ( 0.000 -6.017 -9.176) 10.973 9.301 ( 0.000 6.017 -9.176) 10.973 9.301 ( 0.000 -6.017 9.176) 10.973 9.301 ( 0.000 6.017 9.176) 10.973 10.589 ( 0.000 -5.653 -15.441) 16.443 10.589 ( 0.000 5.653 -15.441) 16.443 10.589 ( 0.000 -5.653 15.441) 16.443 10.589 ( 0.000 5.653 15.441) 16.443 11.330 ( 0.000 -2.506 -8.519) 8.880 11.330 ( 0.000 2.506 -8.519) 8.880 11.330 ( 0.000 -2.506 8.519) 8.880 11.330 ( 0.000 2.506 8.519) 8.880 12.248 ( 0.000 -14.121 -20.995) 25.302 12.248 ( 0.000 14.121 -20.995) 25.302 12.248 ( 0.000 -14.121 20.995) 25.302 12.248 ( 0.000 14.121 20.995) 25.302 12.926 ( 0.000 -3.065 -12.118) 12.499 12.926 ( 0.000 3.065 -12.118) 12.499 12.926 ( 0.000 -3.065 12.118) 12.499 12.926 ( 0.000 3.065 12.118) 12.499 13.716 ( 0.000 -8.343 -22.145) 23.664 13.716 ( 0.000 8.343 -22.145) 23.664 13.716 ( 0.000 -8.343 22.145) 23.664 13.716 ( 0.000 8.343 22.145) 23.664 15.213 ( 0.000 -3.536 -3.001) 4.638 15.213 ( 0.000 3.536 -3.001) 4.638 15.213 ( 0.000 -3.536 3.001) 4.638 15.213 ( 0.000 3.536 3.001) 4.638 15.776 ( 0.000 -3.176 -1.097) 3.361 15.776 ( 0.000 -3.176 1.097) 3.361 15.776 ( 0.000 3.176 -1.097) 3.361 15.776 ( 0.000 3.176 1.097) 3.361 16.050 ( 0.000 -5.931 -0.804) 5.986 16.050 ( 0.000 -5.931 0.804) 5.986 16.050 ( 0.000 5.931 -0.804) 5.986 16.050 ( 0.000 5.931 0.804) 5.986 ======================= Grid point 130 (42/45) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 41 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 10.495 -4.435 -4.329) 12.188 1.127 ( 10.495 3.323 -3.860) 11.666 1.127 ( 10.495 -3.323 3.860) 11.666 1.127 ( 10.495 4.435 4.329) 12.188 1.283 ( 5.544 -4.271 -6.871) 9.807 1.283 ( 5.544 4.066 -6.815) 9.681 1.283 ( 5.544 -4.066 6.815) 9.681 1.283 ( 5.544 4.271 6.871) 9.807 1.558 ( 3.595 -11.441 -2.365) 12.223 1.558 ( 3.595 -11.335 2.125) 12.079 1.558 ( 3.595 11.335 -2.125) 12.079 1.558 ( 3.595 11.441 2.365) 12.223 1.966 ( 1.376 -1.054 -6.762) 6.981 1.966 ( 1.376 0.918 -6.753) 6.953 1.966 ( 1.376 -0.918 6.753) 6.953 1.966 ( 1.376 1.054 6.762) 6.981 2.250 ( -1.241 -3.366 -4.222) 5.540 2.250 ( -1.241 0.711 -3.608) 3.881 2.250 ( -1.241 -0.711 3.608) 3.881 2.250 ( -1.241 3.366 4.222) 5.540 2.410 ( -1.217 -2.028 -4.885) 5.428 2.410 ( -1.217 0.919 -4.734) 4.974 2.410 ( -1.217 -0.919 4.734) 4.974 2.410 ( -1.217 2.028 4.885) 5.428 2.554 ( 3.235 -4.309 -6.321) 8.306 2.554 ( 3.235 4.037 -6.240) 8.106 2.554 ( 3.235 -4.037 6.240) 8.106 2.554 ( 3.235 4.309 6.321) 8.306 2.961 ( -3.995 -1.878 -5.777) 7.271 2.961 ( -3.995 1.846 -5.773) 7.259 2.961 ( -3.995 -1.846 5.773) 7.259 2.961 ( -3.995 1.878 5.777) 7.271 3.232 ( -0.472 -7.258 -6.541) 9.782 3.232 ( -0.472 6.736 -6.287) 9.226 3.232 ( -0.472 -6.736 6.287) 9.226 3.232 ( -0.472 7.258 6.541) 9.782 3.560 ( -3.143 -1.747 -3.021) 4.697 3.560 ( -3.143 1.093 -2.881) 4.402 3.560 ( -3.143 -1.093 2.881) 4.402 3.560 ( -3.143 1.747 3.021) 4.697 3.888 ( 0.919 -0.554 -4.619) 4.742 3.888 ( 0.919 0.155 -4.606) 4.699 3.888 ( 0.919 -0.155 4.606) 4.699 3.888 ( 0.919 0.554 4.619) 4.742 4.178 ( 4.902 -2.754 -3.535) 6.641 4.178 ( 4.902 2.117 -3.334) 6.295 4.178 ( 4.902 -2.117 3.334) 6.295 4.178 ( 4.902 2.754 3.535) 6.641 4.372 ( 0.980 -2.082 -1.279) 2.633 4.372 ( 0.980 -0.824 -0.096) 1.284 4.372 ( 0.980 0.824 0.096) 1.284 4.372 ( 0.980 2.082 1.279) 2.633 4.580 ( 0.390 -4.401 -2.038) 4.865 4.580 ( 0.390 -3.201 -0.314) 3.240 4.580 ( 0.390 3.201 0.314) 3.240 4.580 ( 0.390 4.401 2.038) 4.865 4.713 ( 2.962 -3.070 -0.535) 4.300 4.713 ( 2.962 -3.002 0.319) 4.230 4.713 ( 2.962 3.002 -0.319) 4.230 4.713 ( 2.962 3.070 0.535) 4.300 4.930 ( 1.160 -1.322 -5.435) 5.712 4.930 ( 1.160 1.322 -5.435) 5.712 4.930 ( 1.160 -1.322 5.435) 5.712 4.930 ( 1.160 1.322 5.435) 5.712 5.196 ( 3.707 -5.856 -2.083) 7.237 5.196 ( 3.707 -5.795 2.004) 7.165 5.196 ( 3.707 5.795 -2.004) 7.165 5.196 ( 3.707 5.856 2.083) 7.237 5.396 ( 6.241 -5.761 -2.000) 8.726 5.396 ( 6.241 -4.934 -0.266) 7.960 5.396 ( 6.241 4.934 0.266) 7.960 5.396 ( 6.241 5.761 2.000) 8.726 5.628 ( 3.832 -2.897 -0.794) 4.869 5.628 ( 3.832 -2.803 0.627) 4.789 5.628 ( 3.832 2.803 -0.627) 4.789 5.628 ( 3.832 2.897 0.794) 4.869 5.946 ( 1.830 -3.155 -7.642) 8.468 5.946 ( 1.830 2.498 -7.533) 8.145 5.946 ( 1.830 -2.498 7.533) 8.145 5.946 ( 1.830 3.155 7.642) 8.468 6.227 ( -1.883 -2.278 -6.808) 7.421 6.227 ( -1.883 1.411 -6.702) 7.103 6.227 ( -1.883 -1.411 6.702) 7.103 6.227 ( -1.883 2.278 6.808) 7.421 6.489 ( -2.122 -9.072 -3.884) 10.094 6.489 ( -2.122 -8.742 3.531) 9.664 6.489 ( -2.122 8.742 -3.531) 9.664 6.489 ( -2.122 9.072 3.884) 10.094 7.000 ( 1.787 -8.519 -11.485) 14.411 7.000 ( 1.787 8.510 -11.482) 14.403 7.000 ( 1.787 -8.510 11.482) 14.403 7.000 ( 1.787 8.519 11.485) 14.411 7.519 ( -0.614 -7.683 -5.770) 9.628 7.519 ( -0.614 -2.256 -3.053) 3.846 7.519 ( -0.614 2.256 3.053) 3.846 7.519 ( -0.614 7.683 5.770) 9.628 7.985 ( 1.306 -2.819 -8.004) 8.586 7.985 ( 1.306 2.525 -7.961) 8.453 7.985 ( 1.306 -2.525 7.961) 8.453 7.985 ( 1.306 2.819 8.004) 8.586 8.233 ( 2.047 -4.221 -4.321) 6.378 8.233 ( 2.047 -0.214 -3.282) 3.874 8.233 ( 2.047 0.214 3.282) 3.874 8.233 ( 2.047 4.221 4.321) 6.378 8.542 ( 8.354 -2.965 -9.873) 13.268 8.542 ( 8.354 2.929 -9.868) 13.257 8.542 ( 8.354 -2.929 9.868) 13.257 8.542 ( 8.354 2.965 9.873) 13.268 9.315 ( 1.571 -5.284 -10.307) 11.688 9.315 ( 1.571 5.283 -10.306) 11.688 9.315 ( 1.571 -5.283 10.306) 11.688 9.315 ( 1.571 5.284 10.307) 11.688 10.653 ( 6.363 -6.203 -13.754) 16.375 10.653 ( 6.363 6.164 -13.746) 16.353 10.653 ( 6.363 -6.164 13.746) 16.353 10.653 ( 6.363 6.203 13.754) 16.375 11.283 ( -4.242 -1.928 -13.864) 14.626 11.283 ( -4.242 1.274 -13.831) 14.522 11.283 ( -4.242 -1.274 13.831) 14.522 11.283 ( -4.242 1.928 13.864) 14.626 12.258 ( 0.818 -12.281 -17.102) 21.071 12.258 ( 0.818 10.287 -16.507) 19.468 12.258 ( 0.818 -10.287 16.507) 19.468 12.258 ( 0.818 12.281 17.102) 21.071 12.890 ( -3.935 -2.512 -9.141) 10.264 12.890 ( -3.935 2.333 -9.120) 10.203 12.890 ( -3.935 -2.333 9.120) 10.203 12.890 ( -3.935 2.512 9.141) 10.264 13.762 ( 4.388 -9.298 -19.970) 22.461 13.762 ( 4.388 7.724 -19.670) 21.583 13.762 ( 4.388 -7.724 19.670) 21.583 13.762 ( 4.388 9.298 19.970) 22.461 15.188 ( -2.606 -2.381 -5.929) 6.900 15.188 ( -2.606 1.027 -5.753) 6.399 15.188 ( -2.606 -1.027 5.753) 6.399 15.188 ( -2.606 2.381 5.929) 6.900 15.697 ( -6.718 -5.560 -5.013) 10.059 15.697 ( -6.718 5.066 -4.775) 9.674 15.697 ( -6.718 -5.066 4.775) 9.674 15.697 ( -6.718 5.560 5.013) 10.059 16.056 ( 0.102 -5.460 -0.560) 5.489 16.056 ( 0.102 -5.455 0.539) 5.483 16.056 ( 0.102 5.455 -0.539) 5.483 16.056 ( 0.102 5.460 0.560) 5.489 ======================= Grid point 134 (43/45) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 41 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 6.778 -8.657 -2.712) 11.325 1.290 ( 6.778 -8.568 2.582) 11.226 1.290 ( 6.778 8.568 -2.582) 11.226 1.290 ( 6.778 8.657 2.712) 11.325 1.423 ( 6.309 -2.527 -1.514) 6.963 1.423 ( 6.309 -1.826 -0.968) 6.639 1.423 ( 6.309 1.826 0.968) 6.639 1.423 ( 6.309 2.527 1.514) 6.963 1.703 ( 10.960 -6.464 -3.103) 13.097 1.703 ( 10.960 -6.461 3.100) 13.095 1.703 ( 10.960 6.461 -3.100) 13.095 1.703 ( 10.960 6.464 3.103) 13.097 1.987 ( 0.747 -2.467 -5.641) 6.202 1.987 ( 0.747 1.906 -5.543) 5.909 1.987 ( 0.747 -1.906 5.543) 5.909 1.987 ( 0.747 2.467 5.641) 6.202 2.227 ( -0.878 -2.966 -4.718) 5.641 2.227 ( -0.878 0.210 -4.286) 4.380 2.227 ( -0.878 -0.210 4.286) 4.380 2.227 ( -0.878 2.966 4.718) 5.641 2.388 ( -1.618 -3.726 -4.002) 5.702 2.388 ( -1.618 0.355 -3.147) 3.557 2.388 ( -1.618 -0.355 3.147) 3.557 2.388 ( -1.618 3.726 4.002) 5.702 2.627 ( 4.390 -3.961 -6.977) 9.146 2.627 ( 4.390 3.872 -6.955) 9.091 2.627 ( 4.390 -3.872 6.955) 9.091 2.627 ( 4.390 3.961 6.977) 9.146 2.879 ( -3.444 -2.692 -4.931) 6.589 2.879 ( -3.444 2.354 -4.854) 6.400 2.879 ( -3.444 -2.354 4.854) 6.400 2.879 ( -3.444 2.692 4.931) 6.589 3.212 ( -1.191 -7.654 -4.772) 9.098 3.212 ( -1.191 -3.190 1.123) 3.585 3.212 ( -1.191 3.190 -1.123) 3.585 3.212 ( -1.191 7.654 4.772) 9.098 3.545 ( 1.102 -3.624 -1.656) 4.135 3.545 ( 1.102 -2.643 -0.104) 2.866 3.545 ( 1.102 2.643 0.104) 2.866 3.545 ( 1.102 3.624 1.656) 4.135 3.885 ( -0.663 -1.966 -3.998) 4.504 3.885 ( -0.663 1.966 -3.998) 4.504 3.885 ( -0.663 -1.966 3.998) 4.504 3.885 ( -0.663 1.966 3.998) 4.504 4.241 ( 0.478 -2.207 -4.172) 4.743 4.241 ( 0.478 2.195 -4.169) 4.736 4.241 ( 0.478 -2.195 4.169) 4.736 4.241 ( 0.478 2.207 4.172) 4.743 4.403 ( 2.455 -4.257 -3.192) 5.859 4.403 ( 2.455 0.693 -1.533) 2.976 4.403 ( 2.455 -0.693 1.533) 2.976 4.403 ( 2.455 4.257 3.192) 5.859 4.596 ( 1.203 -4.137 -2.616) 5.040 4.596 ( 1.203 -1.398 -0.321) 1.872 4.596 ( 1.203 1.398 0.321) 1.872 4.596 ( 1.203 4.137 2.616) 5.040 4.764 ( 1.576 -4.554 -3.292) 5.836 4.764 ( 1.576 0.181 -1.278) 2.037 4.764 ( 1.576 -0.181 1.278) 2.037 4.764 ( 1.576 4.554 3.292) 5.836 4.961 ( 2.075 -1.265 -5.640) 6.141 4.961 ( 2.075 1.264 -5.640) 6.141 4.961 ( 2.075 -1.264 5.640) 6.141 4.961 ( 2.075 1.265 5.640) 6.141 5.277 ( 3.362 -4.462 -3.008) 6.345 5.277 ( 3.362 -1.918 -1.354) 4.101 5.277 ( 3.362 1.918 1.354) 4.101 5.277 ( 3.362 4.462 3.008) 6.345 5.505 ( 4.309 -7.865 -2.249) 9.246 5.505 ( 4.309 -7.117 -0.277) 8.324 5.505 ( 4.309 7.117 0.277) 8.324 5.505 ( 4.309 7.865 2.249) 9.246 5.729 ( 6.565 -2.946 -3.561) 8.028 5.729 ( 6.565 -2.383 -3.369) 7.754 5.729 ( 6.565 2.383 3.369) 7.754 5.729 ( 6.565 2.946 3.561) 8.028 5.998 ( 2.594 -2.518 -6.437) 7.383 5.998 ( 2.594 1.520 -6.296) 6.977 5.998 ( 2.594 -1.520 6.296) 6.977 5.998 ( 2.594 2.518 6.437) 7.383 6.225 ( 1.914 -5.537 -3.436) 6.792 6.225 ( 1.914 -2.704 1.194) 3.522 6.225 ( 1.914 2.704 -1.194) 3.522 6.225 ( 1.914 5.537 3.436) 6.792 6.468 ( 0.947 -10.632 -5.827) 12.161 6.468 ( 0.947 -8.491 3.969) 9.421 6.468 ( 0.947 8.491 -3.969) 9.421 6.468 ( 0.947 10.632 5.827) 12.161 6.987 ( -3.206 -9.431 -13.833) 17.046 6.987 ( -3.206 5.980 -12.950) 14.620 6.987 ( -3.206 -5.980 12.950) 14.620 6.987 ( -3.206 9.431 13.833) 17.046 7.519 ( 0.347 -5.302 -6.017) 8.028 7.519 ( 0.347 -0.488 -4.880) 4.917 7.519 ( 0.347 0.488 4.880) 4.917 7.519 ( 0.347 5.302 6.017) 8.028 8.009 ( 1.980 -3.028 -6.931) 7.818 8.009 ( 1.980 2.793 -6.887) 7.691 8.009 ( 1.980 -2.793 6.887) 7.691 8.009 ( 1.980 3.028 6.931) 7.818 8.336 ( 7.576 -2.608 -3.152) 8.611 8.336 ( 7.576 0.558 -2.656) 8.048 8.336 ( 7.576 -0.558 2.656) 8.048 8.336 ( 7.576 2.608 3.152) 8.611 8.706 ( 7.349 -3.782 -8.986) 12.210 8.706 ( 7.349 3.591 -8.951) 12.126 8.706 ( 7.349 -3.591 8.951) 12.126 8.706 ( 7.349 3.782 8.986) 12.210 9.371 ( 4.175 -3.325 -10.661) 11.922 9.371 ( 4.175 2.726 -10.585) 11.701 9.371 ( 4.175 -2.726 10.585) 11.701 9.371 ( 4.175 3.325 10.661) 11.922 10.814 ( 8.840 -6.471 -8.411) 13.812 10.814 ( 8.840 6.151 -8.304) 13.599 10.814 ( 8.840 -6.151 8.304) 13.599 10.814 ( 8.840 6.471 8.411) 13.812 11.210 ( -1.479 -2.342 -16.545) 16.776 11.210 ( -1.479 1.648 -16.508) 16.656 11.210 ( -1.479 -1.648 16.508) 16.656 11.210 ( -1.479 2.342 16.545) 16.776 12.269 ( -0.169 -7.628 -12.732) 14.843 12.269 ( -0.169 4.002 -11.973) 12.625 12.269 ( -0.169 -4.002 11.973) 12.625 12.269 ( -0.169 7.628 12.732) 14.843 12.768 ( -8.405 -1.744 -3.961) 9.454 12.768 ( -8.405 0.218 -3.789) 9.222 12.768 ( -8.405 -0.218 3.789) 9.222 12.768 ( -8.405 1.744 3.961) 9.454 13.864 ( 5.455 -8.413 -15.463) 18.429 13.864 ( 5.455 4.781 -14.758) 16.445 13.864 ( 5.455 -4.781 14.758) 16.445 13.864 ( 5.455 8.413 15.463) 18.429 15.109 ( -5.319 -2.164 -8.680) 10.407 15.109 ( -5.319 1.434 -8.612) 10.223 15.109 ( -5.319 -1.434 8.612) 10.223 15.109 ( -5.319 2.164 8.680) 10.407 15.574 ( -4.883 -4.674 -6.710) 9.524 15.574 ( -4.883 4.673 -6.710) 9.524 15.574 ( -4.883 -4.673 6.710) 9.524 15.574 ( -4.883 4.674 6.710) 9.524 16.043 ( -1.428 -3.969 -1.192) 4.383 16.043 ( -1.428 -3.932 1.136) 4.335 16.043 ( -1.428 3.932 -1.136) 4.335 16.043 ( -1.428 3.969 1.192) 4.383 ======================= Grid point 138 (44/45) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 41 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 5.493 -5.474 -1.998) 8.008 1.412 ( 5.493 -5.058 1.430) 7.603 1.412 ( 5.493 5.058 -1.430) 7.603 1.412 ( 5.493 5.474 1.998) 8.008 1.527 ( 5.323 -1.915 -3.251) 6.525 1.527 ( 5.323 1.795 -3.221) 6.476 1.527 ( 5.323 -1.795 3.221) 6.476 1.527 ( 5.323 1.915 3.251) 6.525 1.874 ( 3.632 -3.574 -2.439) 5.649 1.874 ( 3.632 -0.634 -0.673) 3.748 1.874 ( 3.632 0.634 0.673) 3.748 1.874 ( 3.632 3.574 2.439) 5.649 2.011 ( 2.647 -2.363 -3.826) 5.218 2.011 ( 2.647 1.250 -3.585) 4.628 2.011 ( 2.647 -1.250 3.585) 4.628 2.011 ( 2.647 2.363 3.826) 5.218 2.221 ( -0.098 -2.901 -4.377) 5.252 2.221 ( -0.098 2.718 -4.324) 5.108 2.221 ( -0.098 -2.718 4.324) 5.108 2.221 ( -0.098 2.901 4.377) 5.252 2.337 ( -2.818 -5.954 -1.862) 6.845 2.337 ( -2.818 -5.356 0.681) 6.090 2.337 ( -2.818 5.356 -0.681) 6.090 2.337 ( -2.818 5.954 1.862) 6.845 2.704 ( 2.484 -4.764 -2.272) 5.833 2.704 ( 2.484 -3.495 0.711) 4.346 2.704 ( 2.484 3.495 -0.711) 4.346 2.704 ( 2.484 4.764 2.272) 5.833 2.871 ( 3.201 -3.561 -4.481) 6.558 2.871 ( 3.201 0.064 -3.801) 4.970 2.871 ( 3.201 -0.064 3.801) 4.970 2.871 ( 3.201 3.561 4.481) 6.558 3.200 ( 0.071 -7.574 -2.739) 8.055 3.200 ( 0.071 -7.572 2.736) 8.051 3.200 ( 0.071 7.572 -2.736) 8.051 3.200 ( 0.071 7.574 2.739) 8.055 3.569 ( 0.714 -3.996 -1.495) 4.326 3.569 ( 0.714 -3.383 0.473) 3.490 3.569 ( 0.714 3.383 -0.473) 3.490 3.569 ( 0.714 3.996 1.495) 4.326 3.874 ( -0.296 -2.908 -3.510) 4.568 3.874 ( -0.296 2.183 -3.269) 3.942 3.874 ( -0.296 -2.183 3.269) 3.942 3.874 ( -0.296 2.908 3.510) 4.568 4.223 ( -1.525 -2.452 -2.731) 3.975 4.223 ( -1.525 2.448 -2.730) 3.971 4.223 ( -1.525 -2.448 2.730) 3.971 4.223 ( -1.525 2.452 2.731) 3.975 4.453 ( 2.557 -5.702 -3.128) 6.989 4.453 ( 2.557 -5.690 3.118) 6.974 4.453 ( 2.557 5.690 -3.118) 6.974 4.453 ( 2.557 5.702 3.128) 6.989 4.612 ( 0.271 -2.095 -1.287) 2.473 4.612 ( 0.271 -1.120 -0.513) 1.261 4.612 ( 0.271 1.120 0.513) 1.261 4.612 ( 0.271 2.095 1.287) 2.473 4.764 ( -1.483 -3.818 -4.348) 5.973 4.764 ( -1.483 3.352 -4.173) 5.554 4.764 ( -1.483 -3.352 4.173) 5.554 4.764 ( -1.483 3.818 4.348) 5.973 5.010 ( 2.783 -2.381 -3.947) 5.385 5.010 ( 2.783 1.198 -3.701) 4.783 5.010 ( 2.783 -1.198 3.701) 4.783 5.010 ( 2.783 2.381 3.947) 5.385 5.290 ( -1.870 -3.961 -6.195) 7.587 5.290 ( -1.870 0.722 -5.625) 5.971 5.290 ( -1.870 -0.722 5.625) 5.971 5.290 ( -1.870 3.961 6.195) 7.587 5.597 ( 5.569 -7.756 -2.717) 9.927 5.597 ( 5.569 -7.639 2.566) 9.795 5.597 ( 5.569 7.639 -2.566) 9.795 5.597 ( 5.569 7.756 2.717) 9.927 5.844 ( 4.058 -3.378 -4.418) 6.884 5.844 ( 4.058 -0.284 -3.806) 5.571 5.844 ( 4.058 0.284 3.806) 5.571 5.844 ( 4.058 3.378 4.418) 6.884 6.018 ( -0.695 -0.898 -3.996) 4.155 6.018 ( -0.695 0.892 -3.996) 4.153 6.018 ( -0.695 -0.892 3.996) 4.153 6.018 ( -0.695 0.898 3.996) 4.155 6.283 ( 4.334 -6.065 -10.414) 12.807 6.283 ( 4.334 5.991 -10.395) 12.757 6.283 ( 4.334 -5.991 10.395) 12.757 6.283 ( 4.334 6.065 10.414) 12.807 6.530 ( 3.370 -8.783 -9.108) 13.094 6.530 ( 3.370 7.687 -8.656) 12.057 6.530 ( 3.370 -7.687 8.656) 12.057 6.530 ( 3.370 8.783 9.108) 13.094 6.910 ( -3.365 -5.700 -12.028) 13.730 6.910 ( -3.365 1.425 -11.452) 12.021 6.910 ( -3.365 -1.425 11.452) 12.021 6.910 ( -3.365 5.700 12.028) 13.730 7.522 ( 0.086 -4.169 -4.209) 5.924 7.522 ( 0.086 1.208 -3.262) 3.479 7.522 ( 0.086 -1.208 3.262) 3.479 7.522 ( 0.086 4.169 4.209) 5.924 8.088 ( 6.164 -2.379 -7.160) 9.743 8.088 ( 6.164 2.239 -7.140) 9.694 8.088 ( 6.164 -2.239 7.140) 9.694 8.088 ( 6.164 2.379 7.160) 9.743 8.459 ( 3.313 -7.155 -2.028) 8.142 8.459 ( 3.313 -6.476 -0.040) 7.275 8.459 ( 3.313 6.476 0.040) 7.275 8.459 ( 3.313 7.155 2.028) 8.142 8.820 ( 5.008 -3.015 -5.617) 8.107 8.820 ( 5.008 2.907 -5.591) 8.050 8.820 ( 5.008 -2.907 5.591) 8.050 8.820 ( 5.008 3.015 5.617) 8.107 9.462 ( 4.469 -2.431 -7.253) 8.859 9.462 ( 4.469 1.515 -7.141) 8.560 9.462 ( 4.469 -1.515 7.141) 8.560 9.462 ( 4.469 2.431 7.253) 8.859 10.920 ( 1.615 -3.655 -3.428) 5.265 10.920 ( 1.615 2.855 -3.071) 4.494 10.920 ( 1.615 -2.855 3.071) 4.494 10.920 ( 1.615 3.655 3.428) 5.265 11.311 ( 12.206 -3.133 -11.276) 16.910 11.311 ( 12.206 2.472 -11.203) 16.751 11.311 ( 12.206 -2.472 11.203) 16.751 11.311 ( 12.206 3.133 11.276) 16.910 12.214 ( -6.795 -3.129 -15.324) 17.052 12.214 ( -6.795 3.094 -15.321) 17.043 12.214 ( -6.795 -3.094 15.321) 17.043 12.214 ( -6.795 3.129 15.324) 17.052 12.599 ( -7.388 -2.711 -4.201) 8.921 12.599 ( -7.388 1.087 -3.861) 8.407 12.599 ( -7.388 -1.087 3.861) 8.407 12.599 ( -7.388 2.711 4.201) 8.921 13.952 ( 3.250 -4.711 -10.362) 11.838 13.952 ( 3.250 2.607 -10.026) 10.857 13.952 ( 3.250 -2.607 10.026) 10.857 13.952 ( 3.250 4.711 10.362) 11.838 15.008 ( -4.258 -3.021 -7.300) 8.975 15.008 ( -4.258 2.058 -7.150) 8.573 15.008 ( -4.258 -2.058 7.150) 8.573 15.008 ( -4.258 3.021 7.300) 8.975 15.516 ( -1.420 -2.190 -4.276) 5.010 15.516 ( -1.420 2.181 -4.274) 5.004 15.516 ( -1.420 -2.181 4.274) 5.004 15.516 ( -1.420 2.190 4.276) 5.010 16.005 ( -2.232 -2.157 -1.791) 3.584 16.005 ( -2.232 1.203 -1.335) 2.866 16.005 ( -2.232 -1.203 1.335) 2.866 16.005 ( -2.232 2.157 1.791) 3.584 ======================= Grid point 142 (45/45) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 41 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 1.970 -1.236 -0.913) 2.498 1.486 ( 1.970 -0.044 -0.394) 2.009 1.486 ( 1.970 0.044 0.394) 2.009 1.486 ( 1.970 1.236 0.913) 2.498 1.636 ( 4.925 -2.133 -2.725) 6.019 1.636 ( 4.925 1.092 -2.436) 5.602 1.636 ( 4.925 -1.092 2.436) 5.602 1.636 ( 4.925 2.133 2.725) 6.019 1.851 ( -3.291 -1.211 -1.503) 3.815 1.851 ( -3.291 0.821 -1.381) 3.662 1.851 ( -3.291 -0.821 1.381) 3.662 1.851 ( -3.291 1.211 1.503) 3.815 2.082 ( 3.665 -2.227 -0.780) 4.359 2.082 ( 3.665 -1.898 0.067) 4.128 2.082 ( 3.665 1.898 -0.067) 4.128 2.082 ( 3.665 2.227 0.780) 4.359 2.177 ( -3.809 -2.673 -1.978) 5.056 2.177 ( -3.809 -0.352 -0.889) 3.928 2.177 ( -3.809 0.352 0.889) 3.928 2.177 ( -3.809 2.673 1.978) 5.056 2.330 ( 1.207 -2.604 -1.218) 3.118 2.330 ( 1.207 -2.165 0.743) 2.588 2.330 ( 1.207 2.165 -0.743) 2.588 2.330 ( 1.207 2.604 1.218) 3.118 2.726 ( 0.345 -2.187 -1.197) 2.517 2.726 ( 0.345 -1.328 -0.300) 1.404 2.726 ( 0.345 1.328 0.300) 1.404 2.726 ( 0.345 2.187 1.197) 2.517 2.950 ( 2.888 -3.080 -2.614) 4.966 2.950 ( 2.888 0.335 -1.633) 3.335 2.950 ( 2.888 -0.335 1.633) 3.335 2.950 ( 2.888 3.080 2.614) 4.966 3.212 ( 0.872 -4.208 -2.333) 4.890 3.212 ( 0.872 -3.869 2.056) 4.467 3.212 ( 0.872 3.869 -2.056) 4.467 3.212 ( 0.872 4.208 2.333) 4.890 3.565 ( -0.690 -1.606 -1.310) 2.184 3.565 ( -0.690 0.549 -0.839) 1.217 3.565 ( -0.690 -0.549 0.839) 1.217 3.565 ( -0.690 1.606 1.310) 2.184 3.876 ( 0.283 -1.541 -1.532) 2.192 3.876 ( 0.283 0.691 -1.226) 1.436 3.876 ( 0.283 -0.691 1.226) 1.436 3.876 ( 0.283 1.541 1.532) 2.192 4.197 ( -0.905 -1.167 -1.108) 1.846 4.197 ( -0.905 1.027 -1.045) 1.722 4.197 ( -0.905 -1.027 1.045) 1.722 4.197 ( -0.905 1.167 1.108) 1.846 4.497 ( 1.492 -2.485 -1.532) 3.279 4.497 ( 1.492 -1.410 0.697) 2.168 4.497 ( 1.492 1.410 -0.697) 2.168 4.497 ( 1.492 2.485 1.532) 3.279 4.617 ( 0.507 -3.134 -2.683) 4.157 4.617 ( 0.507 0.068 -1.684) 1.760 4.617 ( 0.507 -0.068 1.684) 1.760 4.617 ( 0.507 3.134 2.683) 4.157 4.722 ( -2.058 -3.308 -2.713) 4.748 4.722 ( -2.058 -0.220 -1.587) 2.608 4.722 ( -2.058 0.220 1.587) 2.608 4.722 ( -2.058 3.308 2.713) 4.748 5.062 ( 2.116 -3.101 -2.194) 4.349 5.062 ( 2.116 0.480 -0.802) 2.314 5.062 ( 2.116 -0.480 0.802) 2.314 5.062 ( 2.116 3.101 2.194) 4.349 5.236 ( -2.617 -3.211 -4.210) 5.907 5.236 ( -2.617 1.810 -3.821) 4.973 5.236 ( -2.617 -1.810 3.821) 4.973 5.236 ( -2.617 3.211 4.210) 5.907 5.695 ( 3.323 -4.940 -1.827) 6.228 5.695 ( 3.323 -4.393 1.033) 5.604 5.695 ( 3.323 4.393 -1.033) 5.604 5.695 ( 3.323 4.940 1.827) 6.228 5.889 ( 1.360 -2.915 -1.237) 3.447 5.889 ( 1.360 -2.249 0.030) 2.628 5.889 ( 1.360 2.249 -0.030) 2.628 5.889 ( 1.360 2.915 1.237) 3.447 5.984 ( -2.066 -1.523 -3.077) 4.007 5.984 ( -2.066 1.229 -3.018) 3.858 5.984 ( -2.066 -1.229 3.018) 3.858 5.984 ( -2.066 1.523 3.077) 4.007 6.397 ( 6.688 -4.061 -13.587) 15.679 6.397 ( 6.688 3.959 -13.574) 15.641 6.397 ( 6.688 -3.959 13.574) 15.641 6.397 ( 6.688 4.061 13.587) 15.679 6.518 ( -4.512 -4.433 -13.285) 14.714 6.518 ( -4.512 4.403 -13.281) 14.701 6.518 ( -4.512 -4.403 13.281) 14.701 6.518 ( -4.512 4.433 13.285) 14.714 6.890 ( 0.592 -1.784 -4.244) 4.642 6.890 ( 0.592 0.630 -4.095) 4.186 6.890 ( 0.592 -0.630 4.095) 4.186 6.890 ( 0.592 1.785 4.244) 4.642 7.526 ( 0.193 -1.595 -1.766) 2.388 7.526 ( 0.193 1.503 -1.729) 2.299 7.526 ( 0.193 -1.503 1.729) 2.299 7.526 ( 0.193 1.595 1.766) 2.388 8.222 ( 6.115 -4.579 -4.457) 8.844 8.222 ( 6.115 3.633 -4.051) 8.185 8.222 ( 6.115 -3.633 4.051) 8.185 8.222 ( 6.115 4.579 4.457) 8.844 8.447 ( -3.124 -7.610 -1.753) 8.411 8.447 ( -3.124 -7.251 0.838) 7.939 8.447 ( -3.124 7.251 -0.838) 7.939 8.447 ( -3.124 7.610 1.753) 8.411 8.902 ( 2.681 -1.714 -1.944) 3.729 8.902 ( 2.681 1.402 -1.830) 3.536 8.902 ( 2.681 -1.402 1.830) 3.536 8.902 ( 2.681 1.714 1.944) 3.729 9.523 ( 1.587 -1.402 -2.486) 3.266 9.523 ( 1.587 1.327 -2.468) 3.221 9.523 ( 1.587 -1.327 2.468) 3.221 9.523 ( 1.587 1.402 2.486) 3.266 10.929 ( 0.057 -1.237 -2.641) 2.917 10.929 ( 0.057 1.187 -2.631) 2.887 10.929 ( 0.057 -1.187 2.631) 2.887 10.929 ( 0.057 1.237 2.641) 2.917 11.606 ( 15.723 -1.245 -10.333) 18.856 11.606 ( 15.723 -0.157 -10.300) 18.797 11.606 ( 15.723 0.157 10.300) 18.797 11.606 ( 15.723 1.245 10.333) 18.856 11.994 ( -13.933 -0.983 -12.864) 18.989 11.994 ( -13.933 0.374 -12.850) 18.958 11.994 ( -13.933 -0.374 12.850) 18.958 11.994 ( -13.933 0.983 12.865) 18.989 12.515 ( -1.677 -1.608 -2.297) 3.267 12.515 ( -1.677 0.776 -2.096) 2.795 12.515 ( -1.677 -0.776 2.096) 2.795 12.515 ( -1.677 1.608 2.297) 3.267 13.990 ( 0.796 -1.252 -3.746) 4.029 13.990 ( 0.796 0.823 -3.693) 3.866 13.990 ( 0.796 -0.823 3.693) 3.866 13.990 ( 0.796 1.252 3.746) 4.029 14.956 ( -1.181 -1.500 -2.831) 3.414 14.956 ( -1.181 0.779 -2.699) 3.047 14.956 ( -1.181 -0.779 2.699) 3.047 14.956 ( -1.181 1.500 2.831) 3.414 15.504 ( -0.154 -0.582 -1.346) 1.475 15.504 ( -0.154 0.577 -1.345) 1.472 15.504 ( -0.154 -0.577 1.345) 1.472 15.504 ( -0.154 0.582 1.346) 1.475 15.969 ( -1.154 -0.634 -0.916) 1.604 15.969 ( -1.154 0.592 -0.903) 1.580 15.969 ( -1.154 -0.592 0.903) 1.580 15.969 ( -1.154 0.634 0.916) 1.604 =================== 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 3/20736 10.0 274.293 248.126 158.655 0.000 0.000 -0.000 3/20736 20.0 60.613 46.705 33.519 0.000 0.000 -0.000 3/20736 30.0 25.055 18.289 14.128 0.000 0.000 -0.000 3/20736 40.0 13.746 9.786 7.933 0.000 0.000 -0.000 3/20736 50.0 8.887 6.228 5.213 0.000 0.000 -0.000 3/20736 60.0 6.384 4.427 3.786 0.000 0.000 -0.000 3/20736 70.0 4.923 3.390 2.942 0.000 0.000 -0.000 3/20736 80.0 3.990 2.733 2.399 0.000 0.000 -0.000 3/20736 90.0 3.351 2.287 2.027 0.000 0.000 -0.000 3/20736 100.0 2.891 1.967 1.757 0.000 0.000 -0.000 3/20736 110.0 2.544 1.727 1.555 0.000 0.000 -0.000 3/20736 120.0 2.275 1.540 1.397 0.000 0.000 -0.000 3/20736 130.0 2.059 1.391 1.271 0.000 0.000 -0.000 3/20736 140.0 1.883 1.270 1.168 0.000 0.000 -0.000 3/20736 150.0 1.736 1.168 1.082 0.000 0.000 -0.000 3/20736 160.0 1.611 1.083 1.009 0.000 0.000 -0.000 3/20736 170.0 1.504 1.009 0.946 0.000 0.000 -0.000 3/20736 180.0 1.411 0.946 0.891 0.000 0.000 -0.000 3/20736 190.0 1.330 0.890 0.842 0.000 0.000 -0.000 3/20736 200.0 1.257 0.841 0.799 0.000 0.000 -0.000 3/20736 210.0 1.193 0.797 0.761 0.000 0.000 -0.000 3/20736 220.0 1.135 0.757 0.726 0.000 0.000 -0.000 3/20736 230.0 1.082 0.722 0.694 0.000 0.000 -0.000 3/20736 240.0 1.035 0.690 0.665 0.000 0.000 -0.000 3/20736 250.0 0.991 0.660 0.639 0.000 0.000 -0.000 3/20736 260.0 0.951 0.633 0.614 0.000 0.000 -0.000 3/20736 270.0 0.915 0.608 0.592 0.000 0.000 -0.000 3/20736 280.0 0.881 0.586 0.571 0.000 0.000 -0.000 3/20736 290.0 0.849 0.564 0.551 0.000 0.000 -0.000 3/20736 300.0 0.820 0.545 0.533 0.000 0.000 -0.000 3/20736 310.0 0.793 0.527 0.516 0.000 0.000 -0.000 3/20736 320.0 0.768 0.509 0.500 0.000 0.000 -0.000 3/20736 330.0 0.744 0.493 0.485 0.000 0.000 -0.000 3/20736 340.0 0.721 0.478 0.471 0.000 0.000 -0.000 3/20736 350.0 0.700 0.464 0.458 0.000 0.000 -0.000 3/20736 360.0 0.681 0.451 0.446 0.000 0.000 -0.000 3/20736 370.0 0.662 0.439 0.434 0.000 0.000 -0.000 3/20736 380.0 0.644 0.427 0.422 0.000 0.000 -0.000 3/20736 390.0 0.627 0.416 0.412 0.000 0.000 -0.000 3/20736 400.0 0.611 0.405 0.402 0.000 0.000 -0.000 3/20736 410.0 0.596 0.395 0.392 0.000 0.000 -0.000 3/20736 420.0 0.582 0.385 0.383 0.000 0.000 -0.000 3/20736 430.0 0.568 0.376 0.374 0.000 0.000 -0.000 3/20736 440.0 0.555 0.367 0.366 0.000 0.000 -0.000 3/20736 450.0 0.543 0.359 0.358 0.000 0.000 -0.000 3/20736 460.0 0.531 0.351 0.350 0.000 0.000 -0.000 3/20736 470.0 0.519 0.344 0.343 0.000 0.000 -0.000 3/20736 480.0 0.508 0.336 0.335 0.000 0.000 -0.000 3/20736 490.0 0.498 0.329 0.329 0.000 0.000 -0.000 3/20736 500.0 0.488 0.323 0.322 0.000 0.000 -0.000 3/20736 510.0 0.478 0.316 0.316 0.000 0.000 -0.000 3/20736 520.0 0.469 0.310 0.310 0.000 0.000 -0.000 3/20736 530.0 0.460 0.304 0.304 0.000 0.000 -0.000 3/20736 540.0 0.451 0.298 0.299 0.000 0.000 -0.000 3/20736 550.0 0.443 0.293 0.293 0.000 0.000 -0.000 3/20736 560.0 0.435 0.288 0.288 0.000 0.000 -0.000 3/20736 570.0 0.428 0.283 0.283 0.000 0.000 -0.000 3/20736 580.0 0.420 0.278 0.278 0.000 0.000 -0.000 3/20736 590.0 0.413 0.273 0.274 0.000 0.000 -0.000 3/20736 600.0 0.406 0.268 0.269 0.000 0.000 -0.000 3/20736 610.0 0.399 0.264 0.265 0.000 0.000 -0.000 3/20736 620.0 0.393 0.260 0.260 0.000 0.000 -0.000 3/20736 630.0 0.387 0.255 0.256 0.000 0.000 -0.000 3/20736 640.0 0.381 0.251 0.252 0.000 0.000 -0.000 3/20736 650.0 0.375 0.247 0.248 0.000 0.000 -0.000 3/20736 660.0 0.369 0.244 0.245 0.000 0.000 -0.000 3/20736 670.0 0.363 0.240 0.241 0.000 0.000 -0.000 3/20736 680.0 0.358 0.236 0.238 0.000 0.000 -0.000 3/20736 690.0 0.353 0.233 0.234 0.000 0.000 -0.000 3/20736 700.0 0.348 0.230 0.231 0.000 0.000 -0.000 3/20736 710.0 0.343 0.226 0.228 0.000 0.000 -0.000 3/20736 720.0 0.338 0.223 0.225 0.000 0.000 -0.000 3/20736 730.0 0.333 0.220 0.221 0.000 0.000 -0.000 3/20736 740.0 0.329 0.217 0.218 0.000 0.000 -0.000 3/20736 750.0 0.325 0.214 0.216 0.000 0.000 -0.000 3/20736 760.0 0.320 0.211 0.213 0.000 0.000 -0.000 3/20736 770.0 0.316 0.209 0.210 0.000 0.000 -0.000 3/20736 780.0 0.312 0.206 0.207 0.000 0.000 -0.000 3/20736 790.0 0.308 0.203 0.205 0.000 0.000 -0.000 3/20736 800.0 0.304 0.201 0.202 0.000 0.000 -0.000 3/20736 810.0 0.300 0.198 0.200 0.000 0.000 -0.000 3/20736 820.0 0.297 0.196 0.197 0.000 0.000 -0.000 3/20736 830.0 0.293 0.193 0.195 0.000 0.000 -0.000 3/20736 840.0 0.290 0.191 0.193 0.000 0.000 -0.000 3/20736 850.0 0.286 0.189 0.190 0.000 0.000 -0.000 3/20736 860.0 0.283 0.187 0.188 0.000 0.000 -0.000 3/20736 870.0 0.280 0.185 0.186 0.000 0.000 -0.000 3/20736 880.0 0.276 0.182 0.184 0.000 0.000 -0.000 3/20736 890.0 0.273 0.180 0.182 0.000 0.000 -0.000 3/20736 900.0 0.270 0.178 0.180 0.000 0.000 -0.000 3/20736 910.0 0.267 0.176 0.178 0.000 0.000 -0.000 3/20736 920.0 0.264 0.174 0.176 0.000 0.000 -0.000 3/20736 930.0 0.262 0.173 0.174 0.000 0.000 -0.000 3/20736 940.0 0.259 0.171 0.172 0.000 0.000 -0.000 3/20736 950.0 0.256 0.169 0.170 0.000 0.000 -0.000 3/20736 960.0 0.253 0.167 0.169 0.000 0.000 -0.000 3/20736 970.0 0.251 0.165 0.167 0.000 0.000 -0.000 3/20736 980.0 0.248 0.164 0.165 0.000 0.000 -0.000 3/20736 990.0 0.246 0.162 0.164 0.000 0.000 -0.000 3/20736 1000.0 0.243 0.160 0.162 0.000 0.000 -0.000 3/20736 Thermal conductivity related properties were written into "kappa-m944.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:29:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|