----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:22:34]------------------------- 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 5.104801530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.159865529999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.798962519999996 Atomic positions (fractional): *1 Ca 0.65102221735974 0.27454696966485 0.81242556932531 40.078 *2 Ca 0.74049369981470 0.50904282232032 0.93484611871493 40.078 3 Ca 0.24049369981470 0.99095717767968 0.06515388128507 40.078 4 Ca 0.84897778264026 0.72545303033515 0.31242556932531 40.078 5 Ca 0.34897778264026 0.72545303033515 0.18757443067469 40.078 6 Ca 0.25950630018530 0.00904282232032 0.56515388128507 40.078 7 Ca 0.25950630018530 0.49095717767968 0.06515388128507 40.078 8 Ca 0.34897778264026 0.77454696966485 0.68757443067469 40.078 9 Ca 0.15102221735974 0.22545303033515 0.18757443067469 40.078 10 Ca 0.15102221735974 0.27454696966485 0.68757443067469 40.078 11 Ca 0.74049369981470 0.99095717767968 0.43484611871493 40.078 12 Ca 0.65102221735974 0.22545303033515 0.31242556932531 40.078 13 Ca 0.24049369981470 0.50904282232032 0.56515388128507 40.078 14 Ca 0.75950630018530 0.00904282232032 0.93484611871493 40.078 15 Ca 0.75950630018530 0.49095717767968 0.43484611871493 40.078 16 Ca 0.84897778264026 0.77454696966485 0.81242556932531 40.078 *17 Si 0.27301376932672 0.48361595612018 0.31191794578740 28.085 *18 Si 0.68210160327622 0.22978887959418 0.06274768722221 28.085 19 Si 0.68210160327622 0.27021112040582 0.56274768722221 28.085 20 Si 0.18210160327622 0.27021112040582 0.93725231277779 28.085 21 Si 0.81789839672378 0.77021112040582 0.56274768722221 28.085 22 Si 0.31789839672378 0.77021112040582 0.93725231277779 28.085 23 Si 0.81789839672378 0.72978887959418 0.06274768722221 28.085 24 Si 0.72698623067328 0.51638404387982 0.68808205421260 28.085 25 Si 0.18210160327622 0.22978887959418 0.43725231277779 28.085 26 Si 0.22698623067328 0.98361595612018 0.31191794578740 28.085 27 Si 0.72698623067328 0.98361595612018 0.18808205421260 28.085 28 Si 0.31789839672378 0.72978887959418 0.43725231277779 28.085 29 Si 0.22698623067328 0.51638404387982 0.81191794578740 28.085 30 Si 0.27301376932672 0.01638404387982 0.81191794578740 28.085 31 Si 0.77301376932672 0.48361595612018 0.18808205421260 28.085 32 Si 0.77301376932672 0.01638404387982 0.68808205421260 28.085 *33 N 0.30605266818432 0.42795383378159 0.90986088095367 14.007 *34 N 0.59737536410551 0.52417455040280 0.28526185508659 14.007 *35 N 0.34730267679930 0.27721149092738 0.53627561543921 14.007 *36 N 0.77790058817545 0.68132289948673 0.66286443253200 14.007 37 N 0.90262463589449 0.02417455040280 0.28526185508659 14.007 38 N 0.72209941182455 0.18132289948673 0.66286443253200 14.007 39 N 0.22209941182455 0.31867710051327 0.33713556746800 14.007 40 N 0.40262463589449 0.47582544959720 0.71473814491341 14.007 41 N 0.59737536410551 0.97582544959720 0.78526185508659 14.007 42 N 0.15269732320070 0.72278850907262 0.03627561543921 14.007 43 N 0.19394733181568 0.92795383378159 0.90986088095367 14.007 44 N 0.09737536410551 0.97582544959720 0.71473814491341 14.007 45 N 0.27790058817545 0.81867710051327 0.33713556746800 14.007 46 N 0.80605266818432 0.42795383378159 0.59013911904633 14.007 47 N 0.15269732320070 0.77721149092738 0.53627561543921 14.007 48 N 0.84730267679931 0.22278850907262 0.46372438456079 14.007 49 N 0.65269732320069 0.72278850907262 0.46372438456079 14.007 50 N 0.69394733181568 0.92795383378159 0.59013911904633 14.007 51 N 0.09737536410551 0.52417455040280 0.21473814491341 14.007 52 N 0.19394733181568 0.57204616621841 0.40986088095367 14.007 53 N 0.22209941182455 0.18132289948673 0.83713556746800 14.007 54 N 0.34730267679930 0.22278850907262 0.03627561543921 14.007 55 N 0.40262463589449 0.02417455040280 0.21473814491341 14.007 56 N 0.65269732320069 0.77721149092738 0.96372438456079 14.007 57 N 0.27790058817545 0.68132289948673 0.83713556746800 14.007 58 N 0.72209941182455 0.31867710051327 0.16286443253200 14.007 59 N 0.90262463589449 0.47582544959720 0.78526185508659 14.007 60 N 0.80605266818432 0.07204616621841 0.09013911904633 14.007 61 N 0.84730267679931 0.27721149092738 0.96372438456079 14.007 62 N 0.77790058817545 0.81867710051327 0.16286443253200 14.007 63 N 0.30605266818432 0.07204616621841 0.40986088095367 14.007 64 N 0.69394733181568 0.57204616621841 0.09013911904633 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.104801530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.159865529999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.798962519999996 Atomic positions (fractional): *1 Ca 0.65102221735974 0.27454696966485 0.81242556932531 40.078 > 1 *2 Ca 0.74049369981470 0.50904282232032 0.93484611871493 40.078 > 2 3 Ca 0.24049369981470 0.99095717767968 0.06515388128507 40.078 > 3 4 Ca 0.84897778264026 0.72545303033515 0.31242556932531 40.078 > 4 5 Ca 0.34897778264026 0.72545303033515 0.18757443067469 40.078 > 5 6 Ca 0.25950630018530 0.00904282232032 0.56515388128507 40.078 > 6 7 Ca 0.25950630018530 0.49095717767968 0.06515388128507 40.078 > 7 8 Ca 0.34897778264026 0.77454696966485 0.68757443067469 40.078 > 8 9 Ca 0.15102221735974 0.22545303033515 0.18757443067469 40.078 > 9 10 Ca 0.15102221735974 0.27454696966485 0.68757443067469 40.078 > 10 11 Ca 0.74049369981470 0.99095717767968 0.43484611871493 40.078 > 11 12 Ca 0.65102221735974 0.22545303033515 0.31242556932531 40.078 > 12 13 Ca 0.24049369981470 0.50904282232032 0.56515388128507 40.078 > 13 14 Ca 0.75950630018530 0.00904282232032 0.93484611871493 40.078 > 14 15 Ca 0.75950630018530 0.49095717767968 0.43484611871493 40.078 > 15 16 Ca 0.84897778264026 0.77454696966485 0.81242556932531 40.078 > 16 *17 Si 0.27301376932672 0.48361595612018 0.31191794578740 28.085 > 17 *18 Si 0.68210160327622 0.22978887959418 0.06274768722221 28.085 > 18 19 Si 0.68210160327622 0.27021112040582 0.56274768722221 28.085 > 19 20 Si 0.18210160327622 0.27021112040582 0.93725231277779 28.085 > 20 21 Si 0.81789839672378 0.77021112040582 0.56274768722221 28.085 > 21 22 Si 0.31789839672378 0.77021112040582 0.93725231277779 28.085 > 22 23 Si 0.81789839672378 0.72978887959418 0.06274768722221 28.085 > 23 24 Si 0.72698623067328 0.51638404387982 0.68808205421260 28.085 > 24 25 Si 0.18210160327622 0.22978887959418 0.43725231277779 28.085 > 25 26 Si 0.22698623067328 0.98361595612018 0.31191794578740 28.085 > 26 27 Si 0.72698623067328 0.98361595612018 0.18808205421260 28.085 > 27 28 Si 0.31789839672378 0.72978887959418 0.43725231277779 28.085 > 28 29 Si 0.22698623067328 0.51638404387982 0.81191794578740 28.085 > 29 30 Si 0.27301376932672 0.01638404387982 0.81191794578740 28.085 > 30 31 Si 0.77301376932672 0.48361595612018 0.18808205421260 28.085 > 31 32 Si 0.77301376932672 0.01638404387982 0.68808205421260 28.085 > 32 *33 N 0.30605266818432 0.42795383378159 0.90986088095367 14.007 > 33 *34 N 0.59737536410551 0.52417455040280 0.28526185508659 14.007 > 34 *35 N 0.34730267679930 0.27721149092738 0.53627561543921 14.007 > 35 *36 N 0.77790058817545 0.68132289948673 0.66286443253200 14.007 > 36 37 N 0.90262463589449 0.02417455040280 0.28526185508659 14.007 > 37 38 N 0.72209941182455 0.18132289948673 0.66286443253200 14.007 > 38 39 N 0.22209941182455 0.31867710051327 0.33713556746800 14.007 > 39 40 N 0.40262463589449 0.47582544959720 0.71473814491341 14.007 > 40 41 N 0.59737536410551 0.97582544959720 0.78526185508659 14.007 > 41 42 N 0.15269732320070 0.72278850907262 0.03627561543921 14.007 > 42 43 N 0.19394733181568 0.92795383378159 0.90986088095367 14.007 > 43 44 N 0.09737536410551 0.97582544959720 0.71473814491341 14.007 > 44 45 N 0.27790058817545 0.81867710051327 0.33713556746800 14.007 > 45 46 N 0.80605266818432 0.42795383378159 0.59013911904633 14.007 > 46 47 N 0.15269732320070 0.77721149092738 0.53627561543921 14.007 > 47 48 N 0.84730267679931 0.22278850907262 0.46372438456079 14.007 > 48 49 N 0.65269732320069 0.72278850907262 0.46372438456079 14.007 > 49 50 N 0.69394733181568 0.92795383378159 0.59013911904633 14.007 > 50 51 N 0.09737536410551 0.52417455040280 0.21473814491341 14.007 > 51 52 N 0.19394733181568 0.57204616621841 0.40986088095367 14.007 > 52 53 N 0.22209941182455 0.18132289948673 0.83713556746800 14.007 > 53 54 N 0.34730267679930 0.22278850907262 0.03627561543921 14.007 > 54 55 N 0.40262463589449 0.02417455040280 0.21473814491341 14.007 > 55 56 N 0.65269732320069 0.77721149092738 0.96372438456079 14.007 > 56 57 N 0.27790058817545 0.68132289948673 0.83713556746800 14.007 > 57 58 N 0.72209941182455 0.31867710051327 0.16286443253200 14.007 > 58 59 N 0.90262463589449 0.47582544959720 0.78526185508659 14.007 > 59 60 N 0.80605266818432 0.07204616621841 0.09013911904633 14.007 > 60 61 N 0.84730267679931 0.27721149092738 0.96372438456079 14.007 > 61 62 N 0.77790058817545 0.81867710051327 0.16286443253200 14.007 > 62 63 N 0.30605266818432 0.07204616621841 0.40986088095367 14.007 > 63 64 N 0.69394733181568 0.57204616621841 0.09013911904633 14.007 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.209603059999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.159865529999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.798962519999996 Atomic positions (fractional): *1 Ca 0.32551110867987 0.27454696966485 0.81242556932531 40.078 > 1 2 Ca 0.82551110867987 0.27454696966485 0.81242556932531 40.078 > 1 *3 Ca 0.37024684990735 0.50904282232032 0.93484611871493 40.078 > 2 4 Ca 0.87024684990735 0.50904282232032 0.93484611871493 40.078 > 2 5 Ca 0.12024684990735 0.99095717767968 0.06515388128507 40.078 > 3 6 Ca 0.62024684990735 0.99095717767968 0.06515388128507 40.078 > 3 7 Ca 0.42448889132013 0.72545303033515 0.31242556932531 40.078 > 4 8 Ca 0.92448889132013 0.72545303033515 0.31242556932531 40.078 > 4 9 Ca 0.17448889132013 0.72545303033515 0.18757443067469 40.078 > 5 10 Ca 0.67448889132013 0.72545303033515 0.18757443067469 40.078 > 5 11 Ca 0.12975315009265 0.00904282232032 0.56515388128507 40.078 > 6 12 Ca 0.62975315009265 0.00904282232032 0.56515388128507 40.078 > 6 13 Ca 0.12975315009265 0.49095717767968 0.06515388128507 40.078 > 7 14 Ca 0.62975315009265 0.49095717767968 0.06515388128507 40.078 > 7 15 Ca 0.17448889132013 0.77454696966485 0.68757443067469 40.078 > 8 16 Ca 0.67448889132013 0.77454696966485 0.68757443067469 40.078 > 8 17 Ca 0.07551110867987 0.22545303033515 0.18757443067469 40.078 > 9 18 Ca 0.57551110867987 0.22545303033515 0.18757443067469 40.078 > 9 19 Ca 0.07551110867987 0.27454696966485 0.68757443067469 40.078 > 10 20 Ca 0.57551110867987 0.27454696966485 0.68757443067469 40.078 > 10 21 Ca 0.37024684990735 0.99095717767968 0.43484611871493 40.078 > 11 22 Ca 0.87024684990735 0.99095717767968 0.43484611871493 40.078 > 11 23 Ca 0.32551110867987 0.22545303033515 0.31242556932531 40.078 > 12 24 Ca 0.82551110867987 0.22545303033515 0.31242556932531 40.078 > 12 25 Ca 0.12024684990735 0.50904282232032 0.56515388128507 40.078 > 13 26 Ca 0.62024684990735 0.50904282232032 0.56515388128507 40.078 > 13 27 Ca 0.37975315009265 0.00904282232032 0.93484611871493 40.078 > 14 28 Ca 0.87975315009265 0.00904282232032 0.93484611871493 40.078 > 14 29 Ca 0.37975315009265 0.49095717767968 0.43484611871493 40.078 > 15 30 Ca 0.87975315009265 0.49095717767968 0.43484611871493 40.078 > 15 31 Ca 0.42448889132013 0.77454696966485 0.81242556932531 40.078 > 16 32 Ca 0.92448889132013 0.77454696966485 0.81242556932531 40.078 > 16 *33 Si 0.13650688466336 0.48361595612018 0.31191794578740 28.085 > 17 34 Si 0.63650688466336 0.48361595612018 0.31191794578740 28.085 > 17 *35 Si 0.34105080163811 0.22978887959418 0.06274768722221 28.085 > 18 36 Si 0.84105080163811 0.22978887959418 0.06274768722221 28.085 > 18 37 Si 0.34105080163811 0.27021112040582 0.56274768722221 28.085 > 19 38 Si 0.84105080163811 0.27021112040582 0.56274768722221 28.085 > 19 39 Si 0.09105080163811 0.27021112040582 0.93725231277779 28.085 > 20 40 Si 0.59105080163811 0.27021112040582 0.93725231277779 28.085 > 20 41 Si 0.40894919836189 0.77021112040582 0.56274768722221 28.085 > 21 42 Si 0.90894919836189 0.77021112040582 0.56274768722221 28.085 > 21 43 Si 0.15894919836189 0.77021112040582 0.93725231277779 28.085 > 22 44 Si 0.65894919836189 0.77021112040582 0.93725231277779 28.085 > 22 45 Si 0.40894919836189 0.72978887959418 0.06274768722221 28.085 > 23 46 Si 0.90894919836189 0.72978887959418 0.06274768722221 28.085 > 23 47 Si 0.36349311533664 0.51638404387982 0.68808205421260 28.085 > 24 48 Si 0.86349311533664 0.51638404387982 0.68808205421260 28.085 > 24 49 Si 0.09105080163811 0.22978887959418 0.43725231277779 28.085 > 25 50 Si 0.59105080163811 0.22978887959418 0.43725231277779 28.085 > 25 51 Si 0.11349311533664 0.98361595612018 0.31191794578740 28.085 > 26 52 Si 0.61349311533664 0.98361595612018 0.31191794578740 28.085 > 26 53 Si 0.36349311533664 0.98361595612018 0.18808205421260 28.085 > 27 54 Si 0.86349311533664 0.98361595612018 0.18808205421260 28.085 > 27 55 Si 0.15894919836189 0.72978887959418 0.43725231277779 28.085 > 28 56 Si 0.65894919836189 0.72978887959418 0.43725231277779 28.085 > 28 57 Si 0.11349311533664 0.51638404387982 0.81191794578740 28.085 > 29 58 Si 0.61349311533664 0.51638404387982 0.81191794578740 28.085 > 29 59 Si 0.13650688466336 0.01638404387982 0.81191794578740 28.085 > 30 60 Si 0.63650688466336 0.01638404387982 0.81191794578740 28.085 > 30 61 Si 0.38650688466336 0.48361595612018 0.18808205421260 28.085 > 31 62 Si 0.88650688466336 0.48361595612018 0.18808205421260 28.085 > 31 63 Si 0.38650688466336 0.01638404387982 0.68808205421260 28.085 > 32 64 Si 0.88650688466336 0.01638404387982 0.68808205421260 28.085 > 32 *65 N 0.15302633409216 0.42795383378159 0.90986088095367 14.007 > 33 66 N 0.65302633409216 0.42795383378159 0.90986088095367 14.007 > 33 *67 N 0.29868768205276 0.52417455040280 0.28526185508659 14.007 > 34 68 N 0.79868768205276 0.52417455040280 0.28526185508659 14.007 > 34 *69 N 0.17365133839965 0.27721149092738 0.53627561543921 14.007 > 35 70 N 0.67365133839965 0.27721149092738 0.53627561543921 14.007 > 35 *71 N 0.38895029408773 0.68132289948673 0.66286443253200 14.007 > 36 72 N 0.88895029408773 0.68132289948673 0.66286443253200 14.007 > 36 73 N 0.45131231794724 0.02417455040280 0.28526185508659 14.007 > 37 74 N 0.95131231794724 0.02417455040280 0.28526185508659 14.007 > 37 75 N 0.36104970591227 0.18132289948673 0.66286443253200 14.007 > 38 76 N 0.86104970591227 0.18132289948673 0.66286443253200 14.007 > 38 77 N 0.11104970591227 0.31867710051327 0.33713556746800 14.007 > 39 78 N 0.61104970591227 0.31867710051327 0.33713556746800 14.007 > 39 79 N 0.20131231794724 0.47582544959720 0.71473814491341 14.007 > 40 80 N 0.70131231794724 0.47582544959720 0.71473814491341 14.007 > 40 81 N 0.29868768205276 0.97582544959720 0.78526185508659 14.007 > 41 82 N 0.79868768205276 0.97582544959720 0.78526185508659 14.007 > 41 83 N 0.07634866160035 0.72278850907262 0.03627561543921 14.007 > 42 84 N 0.57634866160035 0.72278850907262 0.03627561543921 14.007 > 42 85 N 0.09697366590784 0.92795383378159 0.90986088095367 14.007 > 43 86 N 0.59697366590784 0.92795383378159 0.90986088095367 14.007 > 43 87 N 0.04868768205276 0.97582544959720 0.71473814491341 14.007 > 44 88 N 0.54868768205276 0.97582544959720 0.71473814491341 14.007 > 44 89 N 0.13895029408773 0.81867710051327 0.33713556746800 14.007 > 45 90 N 0.63895029408773 0.81867710051327 0.33713556746800 14.007 > 45 91 N 0.40302633409216 0.42795383378159 0.59013911904633 14.007 > 46 92 N 0.90302633409216 0.42795383378159 0.59013911904633 14.007 > 46 93 N 0.07634866160035 0.77721149092738 0.53627561543921 14.007 > 47 94 N 0.57634866160035 0.77721149092738 0.53627561543921 14.007 > 47 95 N 0.42365133839965 0.22278850907262 0.46372438456079 14.007 > 48 96 N 0.92365133839965 0.22278850907262 0.46372438456079 14.007 > 48 97 N 0.32634866160035 0.72278850907262 0.46372438456079 14.007 > 49 98 N 0.82634866160035 0.72278850907262 0.46372438456079 14.007 > 49 99 N 0.34697366590784 0.92795383378159 0.59013911904633 14.007 > 50 100 N 0.84697366590784 0.92795383378159 0.59013911904633 14.007 > 50 101 N 0.04868768205276 0.52417455040280 0.21473814491341 14.007 > 51 102 N 0.54868768205276 0.52417455040280 0.21473814491341 14.007 > 51 103 N 0.09697366590784 0.57204616621841 0.40986088095367 14.007 > 52 104 N 0.59697366590784 0.57204616621841 0.40986088095367 14.007 > 52 105 N 0.11104970591227 0.18132289948673 0.83713556746800 14.007 > 53 106 N 0.61104970591227 0.18132289948673 0.83713556746800 14.007 > 53 107 N 0.17365133839965 0.22278850907262 0.03627561543921 14.007 > 54 108 N 0.67365133839965 0.22278850907262 0.03627561543921 14.007 > 54 109 N 0.20131231794724 0.02417455040280 0.21473814491341 14.007 > 55 110 N 0.70131231794724 0.02417455040280 0.21473814491341 14.007 > 55 111 N 0.32634866160035 0.77721149092738 0.96372438456079 14.007 > 56 112 N 0.82634866160035 0.77721149092738 0.96372438456079 14.007 > 56 113 N 0.13895029408773 0.68132289948673 0.83713556746800 14.007 > 57 114 N 0.63895029408773 0.68132289948673 0.83713556746800 14.007 > 57 115 N 0.36104970591227 0.31867710051327 0.16286443253200 14.007 > 58 116 N 0.86104970591227 0.31867710051327 0.16286443253200 14.007 > 58 117 N 0.45131231794724 0.47582544959720 0.78526185508659 14.007 > 59 118 N 0.95131231794724 0.47582544959720 0.78526185508659 14.007 > 59 119 N 0.40302633409216 0.07204616621841 0.09013911904633 14.007 > 60 120 N 0.90302633409216 0.07204616621841 0.09013911904633 14.007 > 60 121 N 0.42365133839965 0.27721149092738 0.96372438456079 14.007 > 61 122 N 0.92365133839965 0.27721149092738 0.96372438456079 14.007 > 61 123 N 0.38895029408773 0.81867710051327 0.16286443253200 14.007 > 62 124 N 0.88895029408773 0.81867710051327 0.16286443253200 14.007 > 62 125 N 0.15302633409216 0.07204616621841 0.40986088095367 14.007 > 63 126 N 0.65302633409216 0.07204616621841 0.40986088095367 14.007 > 63 127 N 0.34697366590784 0.57204616621841 0.09013911904633 14.007 > 64 128 N 0.84697366590784 0.57204616621841 0.09013911904633 14.007 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1102006 0.0000000 0.0000000 0.0000000 5.0186751 0.0000000 0.0000000 0.0000000 5.0121234 -------------------------- Born effective charges -------------------------- 1 Ca 2.3443484 0.0797965 -0.0631103 0.1128249 2.3376955 0.0179802 -0.0071827 0.1049896 2.3516571 2 Ca 2.5283697 -0.0772457 0.0298744 -0.0740877 2.4727624 0.1407053 -0.1169385 0.2004760 2.4244826 3 Ca 2.5283697 0.0772457 -0.0298744 0.0740877 2.4727624 0.1407053 0.1169385 0.2004760 2.4244826 4 Ca 2.3443484 0.0797965 0.0631103 0.1128249 2.3376955 -0.0179802 0.0071827 -0.1049896 2.3516571 5 Ca 2.3443484 0.0797965 -0.0631103 0.1128249 2.3376955 0.0179802 -0.0071827 0.1049896 2.3516571 6 Ca 2.5283697 0.0772457 0.0298744 0.0740877 2.4727624 -0.1407053 -0.1169385 -0.2004760 2.4244826 7 Ca 2.5283697 -0.0772457 0.0298744 -0.0740877 2.4727624 0.1407053 -0.1169385 0.2004760 2.4244826 8 Ca 2.3443484 -0.0797965 -0.0631103 -0.1128249 2.3376955 -0.0179802 -0.0071827 -0.1049896 2.3516571 9 Ca 2.3443484 -0.0797965 0.0631103 -0.1128249 2.3376955 0.0179802 0.0071827 0.1049896 2.3516571 10 Ca 2.3443484 0.0797965 0.0631103 0.1128249 2.3376955 -0.0179802 0.0071827 -0.1049896 2.3516571 11 Ca 2.5283697 0.0772457 0.0298744 0.0740877 2.4727624 -0.1407053 -0.1169385 -0.2004760 2.4244826 12 Ca 2.3443484 -0.0797965 -0.0631103 -0.1128249 2.3376955 -0.0179802 -0.0071827 -0.1049896 2.3516571 13 Ca 2.5283697 -0.0772457 -0.0298744 -0.0740877 2.4727624 -0.1407053 0.1169385 -0.2004760 2.4244826 14 Ca 2.5283697 0.0772457 -0.0298744 0.0740877 2.4727624 0.1407053 0.1169385 0.2004760 2.4244826 15 Ca 2.5283697 -0.0772457 -0.0298744 -0.0740877 2.4727624 -0.1407053 0.1169385 -0.2004760 2.4244826 16 Ca 2.3443484 -0.0797965 0.0631103 -0.1128249 2.3376955 0.0179802 0.0071827 0.1049896 2.3516571 17 Si 2.9257791 0.2366208 0.0407307 0.1816813 3.0735549 0.1210343 -0.2064419 -0.1812659 3.1708839 18 Si 3.1235520 0.0319083 -0.1575884 -0.1390961 2.9032111 -0.0391254 0.1542833 -0.1744211 3.4294509 19 Si 3.1235520 -0.0319083 -0.1575884 0.1390961 2.9032111 0.0391254 0.1542833 0.1744211 3.4294509 20 Si 3.1235520 -0.0319083 0.1575884 0.1390961 2.9032111 -0.0391254 -0.1542833 -0.1744211 3.4294509 21 Si 3.1235520 0.0319083 0.1575884 -0.1390961 2.9032111 0.0391254 -0.1542833 0.1744211 3.4294509 22 Si 3.1235520 0.0319083 -0.1575884 -0.1390961 2.9032111 -0.0391254 0.1542833 -0.1744211 3.4294509 23 Si 3.1235520 -0.0319083 0.1575884 0.1390961 2.9032111 -0.0391254 -0.1542833 -0.1744211 3.4294509 24 Si 2.9257791 0.2366208 0.0407307 0.1816813 3.0735549 0.1210343 -0.2064419 -0.1812659 3.1708839 25 Si 3.1235520 0.0319083 0.1575884 -0.1390961 2.9032111 0.0391254 -0.1542833 0.1744211 3.4294509 26 Si 2.9257791 -0.2366208 -0.0407307 -0.1816813 3.0735549 0.1210343 0.2064419 -0.1812659 3.1708839 27 Si 2.9257791 -0.2366208 0.0407307 -0.1816813 3.0735549 -0.1210343 -0.2064419 0.1812659 3.1708839 28 Si 3.1235520 -0.0319083 -0.1575884 0.1390961 2.9032111 0.0391254 0.1542833 0.1744211 3.4294509 29 Si 2.9257791 0.2366208 -0.0407307 0.1816813 3.0735549 -0.1210343 0.2064419 0.1812659 3.1708839 30 Si 2.9257791 -0.2366208 0.0407307 -0.1816813 3.0735549 -0.1210343 -0.2064419 0.1812659 3.1708839 31 Si 2.9257791 0.2366208 -0.0407307 0.1816813 3.0735549 -0.1210343 0.2064419 0.1812659 3.1708839 32 Si 2.9257791 -0.2366208 -0.0407307 -0.1816813 3.0735549 0.1210343 0.2064419 -0.1812659 3.1708839 33 N -2.4260271 -0.0875375 -0.0008799 -0.2204139 -2.9692212 0.6030846 0.0309001 0.3714902 -2.8723976 34 N -3.1332427 -0.2057592 0.6129543 -0.1157992 -2.3220402 -0.0324858 0.3996748 0.0156509 -2.8377325 35 N -3.1250067 -0.0999640 -0.5100505 -0.1131148 -2.2869532 -0.2272544 -0.5079051 -0.2537547 -2.8105212 36 N -2.2377727 -0.1688392 0.1001589 -0.0210282 -3.2090093 0.5805723 0.1173116 0.5012354 -2.8558232 37 N -3.1332427 0.2057592 -0.6129543 0.1157992 -2.3220402 -0.0324858 -0.3996748 0.0156509 -2.8377325 38 N -2.2377727 0.1688392 -0.1001589 0.0210282 -3.2090093 0.5805723 -0.1173116 0.5012354 -2.8558232 39 N -2.2377727 -0.1688392 0.1001589 -0.0210282 -3.2090093 0.5805723 0.1173116 0.5012354 -2.8558232 40 N -3.1332427 -0.2057592 0.6129543 -0.1157992 -2.3220402 -0.0324858 0.3996748 0.0156509 -2.8377325 41 N -3.1332427 0.2057592 0.6129543 0.1157992 -2.3220402 0.0324858 0.3996748 -0.0156509 -2.8377325 42 N -3.1250067 -0.0999640 0.5100505 -0.1131148 -2.2869532 0.2272544 0.5079051 0.2537547 -2.8105212 43 N -2.4260271 0.0875375 0.0008799 0.2204139 -2.9692212 0.6030846 -0.0309001 0.3714902 -2.8723976 44 N -3.1332427 0.2057592 -0.6129543 0.1157992 -2.3220402 -0.0324858 -0.3996748 0.0156509 -2.8377325 45 N -2.2377727 0.1688392 -0.1001589 0.0210282 -3.2090093 0.5805723 -0.1173116 0.5012354 -2.8558232 46 N -2.4260271 -0.0875375 0.0008799 -0.2204139 -2.9692212 -0.6030846 -0.0309001 -0.3714902 -2.8723976 47 N -3.1250067 0.0999640 0.5100505 0.1131148 -2.2869532 -0.2272544 0.5079051 -0.2537547 -2.8105212 48 N -3.1250067 0.0999640 0.5100505 0.1131148 -2.2869532 -0.2272544 0.5079051 -0.2537547 -2.8105212 49 N -3.1250067 -0.0999640 -0.5100505 -0.1131148 -2.2869532 -0.2272544 -0.5079051 -0.2537547 -2.8105212 50 N -2.4260271 0.0875375 -0.0008799 0.2204139 -2.9692212 -0.6030846 0.0309001 -0.3714902 -2.8723976 51 N -3.1332427 -0.2057592 -0.6129543 -0.1157992 -2.3220402 0.0324858 -0.3996748 -0.0156509 -2.8377325 52 N -2.4260271 -0.0875375 0.0008799 -0.2204139 -2.9692212 -0.6030846 -0.0309001 -0.3714902 -2.8723976 53 N -2.2377727 0.1688392 0.1001589 0.0210282 -3.2090093 -0.5805723 0.1173116 -0.5012354 -2.8558232 54 N -3.1250067 0.0999640 -0.5100505 0.1131148 -2.2869532 0.2272544 -0.5079051 0.2537547 -2.8105212 55 N -3.1332427 0.2057592 0.6129543 0.1157992 -2.3220402 0.0324858 0.3996748 -0.0156509 -2.8377325 56 N -3.1250067 0.0999640 -0.5100505 0.1131148 -2.2869532 0.2272544 -0.5079051 0.2537547 -2.8105212 57 N -2.2377727 -0.1688392 -0.1001589 -0.0210282 -3.2090093 -0.5805723 -0.1173116 -0.5012354 -2.8558232 58 N -2.2377727 -0.1688392 -0.1001589 -0.0210282 -3.2090093 -0.5805723 -0.1173116 -0.5012354 -2.8558232 59 N -3.1332427 -0.2057592 -0.6129543 -0.1157992 -2.3220402 0.0324858 -0.3996748 -0.0156509 -2.8377325 60 N -2.4260271 0.0875375 0.0008799 0.2204139 -2.9692212 0.6030846 -0.0309001 0.3714902 -2.8723976 61 N -3.1250067 -0.0999640 0.5100505 -0.1131148 -2.2869532 0.2272544 0.5079051 0.2537547 -2.8105212 62 N -2.2377727 0.1688392 0.1001589 0.0210282 -3.2090093 -0.5805723 0.1173116 -0.5012354 -2.8558232 63 N -2.4260271 0.0875375 -0.0008799 0.2204139 -2.9692212 -0.6030846 0.0309001 -0.3714902 -2.8723976 64 N -2.4260271 -0.0875375 -0.0008799 -0.2204139 -2.9692212 0.6030846 0.0309001 0.3714902 -2.8723976 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4680), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 260), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 16), data: (524, 32) @ (32, 16) |-- (274, 258), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.631 Solver_block: 200 / 960 - Time: 1.343 Solver_block: 300 / 960 - Time: 1.359 Solver_block: 400 / 960 - Time: 1.360 Solver_block: 500 / 960 - Time: 1.361 Solver_block: 600 / 960 - Time: 1.358 Solver_block: 700 / 960 - Time: 1.362 Solver_block: 800 / 960 - Time: 1.331 Solver_block: 900 / 960 - Time: 1.342 Solver_block: 960 / 960 - Time: 0.896 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.682 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4680), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 260), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 16), data: (524, 32) @ (32, 16) |-- (274, 258), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:23:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:23:34]------------------------- 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 5.104801530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.159865529999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.798962519999996 Atomic positions (fractional): 1 Ca 0.65102221735974 0.27454696966485 0.81242556932531 40.078 2 Ca 0.74049369981470 0.50904282232032 0.93484611871493 40.078 3 Ca 0.24049369981470 0.99095717767968 0.06515388128507 40.078 4 Ca 0.84897778264026 0.72545303033515 0.31242556932531 40.078 5 Ca 0.34897778264026 0.72545303033515 0.18757443067469 40.078 6 Ca 0.25950630018530 0.00904282232032 0.56515388128507 40.078 7 Ca 0.25950630018530 0.49095717767968 0.06515388128507 40.078 8 Ca 0.34897778264026 0.77454696966485 0.68757443067469 40.078 9 Ca 0.15102221735974 0.22545303033515 0.18757443067469 40.078 10 Ca 0.15102221735974 0.27454696966485 0.68757443067469 40.078 11 Ca 0.74049369981470 0.99095717767968 0.43484611871493 40.078 12 Ca 0.65102221735974 0.22545303033515 0.31242556932531 40.078 13 Ca 0.24049369981470 0.50904282232032 0.56515388128507 40.078 14 Ca 0.75950630018530 0.00904282232032 0.93484611871493 40.078 15 Ca 0.75950630018530 0.49095717767968 0.43484611871493 40.078 16 Ca 0.84897778264026 0.77454696966485 0.81242556932531 40.078 17 Si 0.27301376932672 0.48361595612018 0.31191794578740 28.085 18 Si 0.68210160327622 0.22978887959418 0.06274768722221 28.085 19 Si 0.68210160327622 0.27021112040582 0.56274768722221 28.085 20 Si 0.18210160327622 0.27021112040582 0.93725231277779 28.085 21 Si 0.81789839672378 0.77021112040582 0.56274768722221 28.085 22 Si 0.31789839672378 0.77021112040582 0.93725231277779 28.085 23 Si 0.81789839672378 0.72978887959418 0.06274768722221 28.085 24 Si 0.72698623067328 0.51638404387982 0.68808205421260 28.085 25 Si 0.18210160327622 0.22978887959418 0.43725231277779 28.085 26 Si 0.22698623067328 0.98361595612018 0.31191794578740 28.085 27 Si 0.72698623067328 0.98361595612018 0.18808205421260 28.085 28 Si 0.31789839672378 0.72978887959418 0.43725231277779 28.085 29 Si 0.22698623067328 0.51638404387982 0.81191794578740 28.085 30 Si 0.27301376932672 0.01638404387982 0.81191794578740 28.085 31 Si 0.77301376932672 0.48361595612018 0.18808205421260 28.085 32 Si 0.77301376932672 0.01638404387982 0.68808205421260 28.085 33 N 0.30605266818432 0.42795383378159 0.90986088095367 14.007 34 N 0.59737536410551 0.52417455040280 0.28526185508659 14.007 35 N 0.34730267679930 0.27721149092738 0.53627561543921 14.007 36 N 0.77790058817545 0.68132289948673 0.66286443253200 14.007 37 N 0.90262463589449 0.02417455040280 0.28526185508659 14.007 38 N 0.72209941182455 0.18132289948673 0.66286443253200 14.007 39 N 0.22209941182455 0.31867710051327 0.33713556746800 14.007 40 N 0.40262463589449 0.47582544959720 0.71473814491341 14.007 41 N 0.59737536410551 0.97582544959720 0.78526185508659 14.007 42 N 0.15269732320070 0.72278850907262 0.03627561543921 14.007 43 N 0.19394733181568 0.92795383378159 0.90986088095367 14.007 44 N 0.09737536410551 0.97582544959720 0.71473814491341 14.007 45 N 0.27790058817545 0.81867710051327 0.33713556746800 14.007 46 N 0.80605266818432 0.42795383378159 0.59013911904633 14.007 47 N 0.15269732320070 0.77721149092738 0.53627561543921 14.007 48 N 0.84730267679931 0.22278850907262 0.46372438456079 14.007 49 N 0.65269732320069 0.72278850907262 0.46372438456079 14.007 50 N 0.69394733181568 0.92795383378159 0.59013911904633 14.007 51 N 0.09737536410551 0.52417455040280 0.21473814491341 14.007 52 N 0.19394733181568 0.57204616621841 0.40986088095367 14.007 53 N 0.22209941182455 0.18132289948673 0.83713556746800 14.007 54 N 0.34730267679930 0.22278850907262 0.03627561543921 14.007 55 N 0.40262463589449 0.02417455040280 0.21473814491341 14.007 56 N 0.65269732320069 0.77721149092738 0.96372438456079 14.007 57 N 0.27790058817545 0.68132289948673 0.83713556746800 14.007 58 N 0.72209941182455 0.31867710051327 0.16286443253200 14.007 59 N 0.90262463589449 0.47582544959720 0.78526185508659 14.007 60 N 0.80605266818432 0.07204616621841 0.09013911904633 14.007 61 N 0.84730267679931 0.27721149092738 0.96372438456079 14.007 62 N 0.77790058817545 0.81867710051327 0.16286443253200 14.007 63 N 0.30605266818432 0.07204616621841 0.40986088095367 14.007 64 N 0.69394733181568 0.57204616621841 0.09013911904633 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.209603059999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.159865529999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.798962519999996 Atomic positions (fractional): 1 Ca 0.32551110867987 0.27454696966485 0.81242556932531 40.078 > 1 2 Ca 0.82551110867987 0.27454696966485 0.81242556932531 40.078 > 1 3 Ca 0.37024684990735 0.50904282232032 0.93484611871493 40.078 > 3 4 Ca 0.87024684990735 0.50904282232032 0.93484611871493 40.078 > 3 5 Ca 0.12024684990735 0.99095717767968 0.06515388128507 40.078 > 5 6 Ca 0.62024684990735 0.99095717767968 0.06515388128507 40.078 > 5 7 Ca 0.42448889132013 0.72545303033515 0.31242556932531 40.078 > 7 8 Ca 0.92448889132013 0.72545303033515 0.31242556932531 40.078 > 7 9 Ca 0.17448889132013 0.72545303033515 0.18757443067469 40.078 > 9 10 Ca 0.67448889132013 0.72545303033515 0.18757443067469 40.078 > 9 11 Ca 0.12975315009265 0.00904282232032 0.56515388128507 40.078 > 11 12 Ca 0.62975315009265 0.00904282232032 0.56515388128507 40.078 > 11 13 Ca 0.12975315009265 0.49095717767968 0.06515388128507 40.078 > 13 14 Ca 0.62975315009265 0.49095717767968 0.06515388128507 40.078 > 13 15 Ca 0.17448889132013 0.77454696966485 0.68757443067469 40.078 > 15 16 Ca 0.67448889132013 0.77454696966485 0.68757443067469 40.078 > 15 17 Ca 0.07551110867987 0.22545303033515 0.18757443067469 40.078 > 17 18 Ca 0.57551110867987 0.22545303033515 0.18757443067469 40.078 > 17 19 Ca 0.07551110867987 0.27454696966485 0.68757443067469 40.078 > 19 20 Ca 0.57551110867987 0.27454696966485 0.68757443067469 40.078 > 19 21 Ca 0.37024684990735 0.99095717767968 0.43484611871493 40.078 > 21 22 Ca 0.87024684990735 0.99095717767968 0.43484611871493 40.078 > 21 23 Ca 0.32551110867987 0.22545303033515 0.31242556932531 40.078 > 23 24 Ca 0.82551110867987 0.22545303033515 0.31242556932531 40.078 > 23 25 Ca 0.12024684990735 0.50904282232032 0.56515388128507 40.078 > 25 26 Ca 0.62024684990735 0.50904282232032 0.56515388128507 40.078 > 25 27 Ca 0.37975315009265 0.00904282232032 0.93484611871493 40.078 > 27 28 Ca 0.87975315009265 0.00904282232032 0.93484611871493 40.078 > 27 29 Ca 0.37975315009265 0.49095717767968 0.43484611871493 40.078 > 29 30 Ca 0.87975315009265 0.49095717767968 0.43484611871493 40.078 > 29 31 Ca 0.42448889132013 0.77454696966485 0.81242556932531 40.078 > 31 32 Ca 0.92448889132013 0.77454696966485 0.81242556932531 40.078 > 31 33 Si 0.13650688466336 0.48361595612018 0.31191794578740 28.085 > 33 34 Si 0.63650688466336 0.48361595612018 0.31191794578740 28.085 > 33 35 Si 0.34105080163811 0.22978887959418 0.06274768722221 28.085 > 35 36 Si 0.84105080163811 0.22978887959418 0.06274768722221 28.085 > 35 37 Si 0.34105080163811 0.27021112040582 0.56274768722221 28.085 > 37 38 Si 0.84105080163811 0.27021112040582 0.56274768722221 28.085 > 37 39 Si 0.09105080163811 0.27021112040582 0.93725231277779 28.085 > 39 40 Si 0.59105080163811 0.27021112040582 0.93725231277779 28.085 > 39 41 Si 0.40894919836189 0.77021112040582 0.56274768722221 28.085 > 41 42 Si 0.90894919836189 0.77021112040582 0.56274768722221 28.085 > 41 43 Si 0.15894919836189 0.77021112040582 0.93725231277779 28.085 > 43 44 Si 0.65894919836189 0.77021112040582 0.93725231277779 28.085 > 43 45 Si 0.40894919836189 0.72978887959418 0.06274768722221 28.085 > 45 46 Si 0.90894919836189 0.72978887959418 0.06274768722221 28.085 > 45 47 Si 0.36349311533664 0.51638404387982 0.68808205421260 28.085 > 47 48 Si 0.86349311533664 0.51638404387982 0.68808205421260 28.085 > 47 49 Si 0.09105080163811 0.22978887959418 0.43725231277779 28.085 > 49 50 Si 0.59105080163811 0.22978887959418 0.43725231277779 28.085 > 49 51 Si 0.11349311533664 0.98361595612018 0.31191794578740 28.085 > 51 52 Si 0.61349311533664 0.98361595612018 0.31191794578740 28.085 > 51 53 Si 0.36349311533664 0.98361595612018 0.18808205421260 28.085 > 53 54 Si 0.86349311533664 0.98361595612018 0.18808205421260 28.085 > 53 55 Si 0.15894919836189 0.72978887959418 0.43725231277779 28.085 > 55 56 Si 0.65894919836189 0.72978887959418 0.43725231277779 28.085 > 55 57 Si 0.11349311533664 0.51638404387982 0.81191794578740 28.085 > 57 58 Si 0.61349311533664 0.51638404387982 0.81191794578740 28.085 > 57 59 Si 0.13650688466336 0.01638404387982 0.81191794578740 28.085 > 59 60 Si 0.63650688466336 0.01638404387982 0.81191794578740 28.085 > 59 61 Si 0.38650688466336 0.48361595612018 0.18808205421260 28.085 > 61 62 Si 0.88650688466336 0.48361595612018 0.18808205421260 28.085 > 61 63 Si 0.38650688466336 0.01638404387982 0.68808205421260 28.085 > 63 64 Si 0.88650688466336 0.01638404387982 0.68808205421260 28.085 > 63 65 N 0.15302633409216 0.42795383378159 0.90986088095367 14.007 > 65 66 N 0.65302633409216 0.42795383378159 0.90986088095367 14.007 > 65 67 N 0.29868768205276 0.52417455040280 0.28526185508659 14.007 > 67 68 N 0.79868768205276 0.52417455040280 0.28526185508659 14.007 > 67 69 N 0.17365133839965 0.27721149092738 0.53627561543921 14.007 > 69 70 N 0.67365133839965 0.27721149092738 0.53627561543921 14.007 > 69 71 N 0.38895029408773 0.68132289948673 0.66286443253200 14.007 > 71 72 N 0.88895029408773 0.68132289948673 0.66286443253200 14.007 > 71 73 N 0.45131231794724 0.02417455040280 0.28526185508659 14.007 > 73 74 N 0.95131231794724 0.02417455040280 0.28526185508659 14.007 > 73 75 N 0.36104970591227 0.18132289948673 0.66286443253200 14.007 > 75 76 N 0.86104970591227 0.18132289948673 0.66286443253200 14.007 > 75 77 N 0.11104970591227 0.31867710051327 0.33713556746800 14.007 > 77 78 N 0.61104970591227 0.31867710051327 0.33713556746800 14.007 > 77 79 N 0.20131231794724 0.47582544959720 0.71473814491341 14.007 > 79 80 N 0.70131231794724 0.47582544959720 0.71473814491341 14.007 > 79 81 N 0.29868768205276 0.97582544959720 0.78526185508659 14.007 > 81 82 N 0.79868768205276 0.97582544959720 0.78526185508659 14.007 > 81 83 N 0.07634866160035 0.72278850907262 0.03627561543921 14.007 > 83 84 N 0.57634866160035 0.72278850907262 0.03627561543921 14.007 > 83 85 N 0.09697366590784 0.92795383378159 0.90986088095367 14.007 > 85 86 N 0.59697366590784 0.92795383378159 0.90986088095367 14.007 > 85 87 N 0.04868768205276 0.97582544959720 0.71473814491341 14.007 > 87 88 N 0.54868768205276 0.97582544959720 0.71473814491341 14.007 > 87 89 N 0.13895029408773 0.81867710051327 0.33713556746800 14.007 > 89 90 N 0.63895029408773 0.81867710051327 0.33713556746800 14.007 > 89 91 N 0.40302633409216 0.42795383378159 0.59013911904633 14.007 > 91 92 N 0.90302633409216 0.42795383378159 0.59013911904633 14.007 > 91 93 N 0.07634866160035 0.77721149092738 0.53627561543921 14.007 > 93 94 N 0.57634866160035 0.77721149092738 0.53627561543921 14.007 > 93 95 N 0.42365133839965 0.22278850907262 0.46372438456079 14.007 > 95 96 N 0.92365133839965 0.22278850907262 0.46372438456079 14.007 > 95 97 N 0.32634866160035 0.72278850907262 0.46372438456079 14.007 > 97 98 N 0.82634866160035 0.72278850907262 0.46372438456079 14.007 > 97 99 N 0.34697366590784 0.92795383378159 0.59013911904633 14.007 > 99 100 N 0.84697366590784 0.92795383378159 0.59013911904633 14.007 > 99 101 N 0.04868768205276 0.52417455040280 0.21473814491341 14.007 > 101 102 N 0.54868768205276 0.52417455040280 0.21473814491341 14.007 > 101 103 N 0.09697366590784 0.57204616621841 0.40986088095367 14.007 > 103 104 N 0.59697366590784 0.57204616621841 0.40986088095367 14.007 > 103 105 N 0.11104970591227 0.18132289948673 0.83713556746800 14.007 > 105 106 N 0.61104970591227 0.18132289948673 0.83713556746800 14.007 > 105 107 N 0.17365133839965 0.22278850907262 0.03627561543921 14.007 > 107 108 N 0.67365133839965 0.22278850907262 0.03627561543921 14.007 > 107 109 N 0.20131231794724 0.02417455040280 0.21473814491341 14.007 > 109 110 N 0.70131231794724 0.02417455040280 0.21473814491341 14.007 > 109 111 N 0.32634866160035 0.77721149092738 0.96372438456079 14.007 > 111 112 N 0.82634866160035 0.77721149092738 0.96372438456079 14.007 > 111 113 N 0.13895029408773 0.68132289948673 0.83713556746800 14.007 > 113 114 N 0.63895029408773 0.68132289948673 0.83713556746800 14.007 > 113 115 N 0.36104970591227 0.31867710051327 0.16286443253200 14.007 > 115 116 N 0.86104970591227 0.31867710051327 0.16286443253200 14.007 > 115 117 N 0.45131231794724 0.47582544959720 0.78526185508659 14.007 > 117 118 N 0.95131231794724 0.47582544959720 0.78526185508659 14.007 > 117 119 N 0.40302633409216 0.07204616621841 0.09013911904633 14.007 > 119 120 N 0.90302633409216 0.07204616621841 0.09013911904633 14.007 > 119 121 N 0.42365133839965 0.27721149092738 0.96372438456079 14.007 > 121 122 N 0.92365133839965 0.27721149092738 0.96372438456079 14.007 > 121 123 N 0.38895029408773 0.81867710051327 0.16286443253200 14.007 > 123 124 N 0.88895029408773 0.81867710051327 0.16286443253200 14.007 > 123 125 N 0.15302633409216 0.07204616621841 0.40986088095367 14.007 > 125 126 N 0.65302633409216 0.07204616621841 0.40986088095367 14.007 > 125 127 N 0.34697366590784 0.57204616621841 0.09013911904633 14.007 > 127 128 N 0.84697366590784 0.57204616621841 0.09013911904633 14.007 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1102006 0.0000000 0.0000000 0.0000000 5.0186751 0.0000000 0.0000000 0.0000000 5.0121234 -------------------------- Born effective charges -------------------------- 1 Ca 2.3443484 0.0797965 -0.0631103 0.1128249 2.3376955 0.0179802 -0.0071827 0.1049896 2.3516571 2 Ca 2.5283697 -0.0772457 0.0298744 -0.0740877 2.4727624 0.1407053 -0.1169385 0.2004760 2.4244826 3 Ca 2.5283697 0.0772457 -0.0298744 0.0740877 2.4727624 0.1407053 0.1169385 0.2004760 2.4244826 4 Ca 2.3443484 0.0797965 0.0631103 0.1128249 2.3376955 -0.0179802 0.0071827 -0.1049896 2.3516571 5 Ca 2.3443484 0.0797965 -0.0631103 0.1128249 2.3376955 0.0179802 -0.0071827 0.1049896 2.3516571 6 Ca 2.5283697 0.0772457 0.0298744 0.0740877 2.4727624 -0.1407053 -0.1169385 -0.2004760 2.4244826 7 Ca 2.5283697 -0.0772457 0.0298744 -0.0740877 2.4727624 0.1407053 -0.1169385 0.2004760 2.4244826 8 Ca 2.3443484 -0.0797965 -0.0631103 -0.1128249 2.3376955 -0.0179802 -0.0071827 -0.1049896 2.3516571 9 Ca 2.3443484 -0.0797965 0.0631103 -0.1128249 2.3376955 0.0179802 0.0071827 0.1049896 2.3516571 10 Ca 2.3443484 0.0797965 0.0631103 0.1128249 2.3376955 -0.0179802 0.0071827 -0.1049896 2.3516571 11 Ca 2.5283697 0.0772457 0.0298744 0.0740877 2.4727624 -0.1407053 -0.1169385 -0.2004760 2.4244826 12 Ca 2.3443484 -0.0797965 -0.0631103 -0.1128249 2.3376955 -0.0179802 -0.0071827 -0.1049896 2.3516571 13 Ca 2.5283697 -0.0772457 -0.0298744 -0.0740877 2.4727624 -0.1407053 0.1169385 -0.2004760 2.4244826 14 Ca 2.5283697 0.0772457 -0.0298744 0.0740877 2.4727624 0.1407053 0.1169385 0.2004760 2.4244826 15 Ca 2.5283697 -0.0772457 -0.0298744 -0.0740877 2.4727624 -0.1407053 0.1169385 -0.2004760 2.4244826 16 Ca 2.3443484 -0.0797965 0.0631103 -0.1128249 2.3376955 0.0179802 0.0071827 0.1049896 2.3516571 17 Si 2.9257791 0.2366208 0.0407307 0.1816813 3.0735549 0.1210343 -0.2064419 -0.1812659 3.1708839 18 Si 3.1235520 0.0319083 -0.1575884 -0.1390961 2.9032111 -0.0391254 0.1542833 -0.1744211 3.4294509 19 Si 3.1235520 -0.0319083 -0.1575884 0.1390961 2.9032111 0.0391254 0.1542833 0.1744211 3.4294509 20 Si 3.1235520 -0.0319083 0.1575884 0.1390961 2.9032111 -0.0391254 -0.1542833 -0.1744211 3.4294509 21 Si 3.1235520 0.0319083 0.1575884 -0.1390961 2.9032111 0.0391254 -0.1542833 0.1744211 3.4294509 22 Si 3.1235520 0.0319083 -0.1575884 -0.1390961 2.9032111 -0.0391254 0.1542833 -0.1744211 3.4294509 23 Si 3.1235520 -0.0319083 0.1575884 0.1390961 2.9032111 -0.0391254 -0.1542833 -0.1744211 3.4294509 24 Si 2.9257791 0.2366208 0.0407307 0.1816813 3.0735549 0.1210343 -0.2064419 -0.1812659 3.1708839 25 Si 3.1235520 0.0319083 0.1575884 -0.1390961 2.9032111 0.0391254 -0.1542833 0.1744211 3.4294509 26 Si 2.9257791 -0.2366208 -0.0407307 -0.1816813 3.0735549 0.1210343 0.2064419 -0.1812659 3.1708839 27 Si 2.9257791 -0.2366208 0.0407307 -0.1816813 3.0735549 -0.1210343 -0.2064419 0.1812659 3.1708839 28 Si 3.1235520 -0.0319083 -0.1575884 0.1390961 2.9032111 0.0391254 0.1542833 0.1744211 3.4294509 29 Si 2.9257791 0.2366208 -0.0407307 0.1816813 3.0735549 -0.1210343 0.2064419 0.1812659 3.1708839 30 Si 2.9257791 -0.2366208 0.0407307 -0.1816813 3.0735549 -0.1210343 -0.2064419 0.1812659 3.1708839 31 Si 2.9257791 0.2366208 -0.0407307 0.1816813 3.0735549 -0.1210343 0.2064419 0.1812659 3.1708839 32 Si 2.9257791 -0.2366208 -0.0407307 -0.1816813 3.0735549 0.1210343 0.2064419 -0.1812659 3.1708839 33 N -2.4260271 -0.0875375 -0.0008799 -0.2204139 -2.9692212 0.6030846 0.0309001 0.3714902 -2.8723976 34 N -3.1332427 -0.2057592 0.6129543 -0.1157992 -2.3220402 -0.0324858 0.3996748 0.0156509 -2.8377325 35 N -3.1250067 -0.0999640 -0.5100505 -0.1131148 -2.2869532 -0.2272544 -0.5079051 -0.2537547 -2.8105212 36 N -2.2377727 -0.1688392 0.1001589 -0.0210282 -3.2090093 0.5805723 0.1173116 0.5012354 -2.8558232 37 N -3.1332427 0.2057592 -0.6129543 0.1157992 -2.3220402 -0.0324858 -0.3996748 0.0156509 -2.8377325 38 N -2.2377727 0.1688392 -0.1001589 0.0210282 -3.2090093 0.5805723 -0.1173116 0.5012354 -2.8558232 39 N -2.2377727 -0.1688392 0.1001589 -0.0210282 -3.2090093 0.5805723 0.1173116 0.5012354 -2.8558232 40 N -3.1332427 -0.2057592 0.6129543 -0.1157992 -2.3220402 -0.0324858 0.3996748 0.0156509 -2.8377325 41 N -3.1332427 0.2057592 0.6129543 0.1157992 -2.3220402 0.0324858 0.3996748 -0.0156509 -2.8377325 42 N -3.1250067 -0.0999640 0.5100505 -0.1131148 -2.2869532 0.2272544 0.5079051 0.2537547 -2.8105212 43 N -2.4260271 0.0875375 0.0008799 0.2204139 -2.9692212 0.6030846 -0.0309001 0.3714902 -2.8723976 44 N -3.1332427 0.2057592 -0.6129543 0.1157992 -2.3220402 -0.0324858 -0.3996748 0.0156509 -2.8377325 45 N -2.2377727 0.1688392 -0.1001589 0.0210282 -3.2090093 0.5805723 -0.1173116 0.5012354 -2.8558232 46 N -2.4260271 -0.0875375 0.0008799 -0.2204139 -2.9692212 -0.6030846 -0.0309001 -0.3714902 -2.8723976 47 N -3.1250067 0.0999640 0.5100505 0.1131148 -2.2869532 -0.2272544 0.5079051 -0.2537547 -2.8105212 48 N -3.1250067 0.0999640 0.5100505 0.1131148 -2.2869532 -0.2272544 0.5079051 -0.2537547 -2.8105212 49 N -3.1250067 -0.0999640 -0.5100505 -0.1131148 -2.2869532 -0.2272544 -0.5079051 -0.2537547 -2.8105212 50 N -2.4260271 0.0875375 -0.0008799 0.2204139 -2.9692212 -0.6030846 0.0309001 -0.3714902 -2.8723976 51 N -3.1332427 -0.2057592 -0.6129543 -0.1157992 -2.3220402 0.0324858 -0.3996748 -0.0156509 -2.8377325 52 N -2.4260271 -0.0875375 0.0008799 -0.2204139 -2.9692212 -0.6030846 -0.0309001 -0.3714902 -2.8723976 53 N -2.2377727 0.1688392 0.1001589 0.0210282 -3.2090093 -0.5805723 0.1173116 -0.5012354 -2.8558232 54 N -3.1250067 0.0999640 -0.5100505 0.1131148 -2.2869532 0.2272544 -0.5079051 0.2537547 -2.8105212 55 N -3.1332427 0.2057592 0.6129543 0.1157992 -2.3220402 0.0324858 0.3996748 -0.0156509 -2.8377325 56 N -3.1250067 0.0999640 -0.5100505 0.1131148 -2.2869532 0.2272544 -0.5079051 0.2537547 -2.8105212 57 N -2.2377727 -0.1688392 -0.1001589 -0.0210282 -3.2090093 -0.5805723 -0.1173116 -0.5012354 -2.8558232 58 N -2.2377727 -0.1688392 -0.1001589 -0.0210282 -3.2090093 -0.5805723 -0.1173116 -0.5012354 -2.8558232 59 N -3.1332427 -0.2057592 -0.6129543 -0.1157992 -2.3220402 0.0324858 -0.3996748 -0.0156509 -2.8377325 60 N -2.4260271 0.0875375 0.0008799 0.2204139 -2.9692212 0.6030846 -0.0309001 0.3714902 -2.8723976 61 N -3.1250067 -0.0999640 0.5100505 -0.1131148 -2.2869532 0.2272544 0.5079051 0.2537547 -2.8105212 62 N -2.2377727 0.1688392 0.1001589 0.0210282 -3.2090093 -0.5805723 0.1173116 -0.5012354 -2.8558232 63 N -2.4260271 0.0875375 -0.0008799 0.2204139 -2.9692212 -0.6030846 0.0309001 -0.3714902 -2.8723976 64 N -2.4260271 -0.0875375 -0.0008799 -0.2204139 -2.9692212 0.6030846 0.0309001 0.3714902 -2.8723976 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:24:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:24:28]------------------------- 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 5.104801530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.159865529999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.798962519999996 Atomic positions (fractional): 1 Ca 0.65102221735974 0.27454696966485 0.81242556932531 40.078 2 Ca 0.74049369981470 0.50904282232032 0.93484611871493 40.078 3 Ca 0.24049369981470 0.99095717767968 0.06515388128507 40.078 4 Ca 0.84897778264026 0.72545303033515 0.31242556932531 40.078 5 Ca 0.34897778264026 0.72545303033515 0.18757443067469 40.078 6 Ca 0.25950630018530 0.00904282232032 0.56515388128507 40.078 7 Ca 0.25950630018530 0.49095717767968 0.06515388128507 40.078 8 Ca 0.34897778264026 0.77454696966485 0.68757443067469 40.078 9 Ca 0.15102221735974 0.22545303033515 0.18757443067469 40.078 10 Ca 0.15102221735974 0.27454696966485 0.68757443067469 40.078 11 Ca 0.74049369981470 0.99095717767968 0.43484611871493 40.078 12 Ca 0.65102221735974 0.22545303033515 0.31242556932531 40.078 13 Ca 0.24049369981470 0.50904282232032 0.56515388128507 40.078 14 Ca 0.75950630018530 0.00904282232032 0.93484611871493 40.078 15 Ca 0.75950630018530 0.49095717767968 0.43484611871493 40.078 16 Ca 0.84897778264026 0.77454696966485 0.81242556932531 40.078 17 Si 0.27301376932672 0.48361595612018 0.31191794578740 28.085 18 Si 0.68210160327622 0.22978887959418 0.06274768722221 28.085 19 Si 0.68210160327622 0.27021112040582 0.56274768722221 28.085 20 Si 0.18210160327622 0.27021112040582 0.93725231277779 28.085 21 Si 0.81789839672378 0.77021112040582 0.56274768722221 28.085 22 Si 0.31789839672378 0.77021112040582 0.93725231277779 28.085 23 Si 0.81789839672378 0.72978887959418 0.06274768722221 28.085 24 Si 0.72698623067328 0.51638404387982 0.68808205421260 28.085 25 Si 0.18210160327622 0.22978887959418 0.43725231277779 28.085 26 Si 0.22698623067328 0.98361595612018 0.31191794578740 28.085 27 Si 0.72698623067328 0.98361595612018 0.18808205421260 28.085 28 Si 0.31789839672378 0.72978887959418 0.43725231277779 28.085 29 Si 0.22698623067328 0.51638404387982 0.81191794578740 28.085 30 Si 0.27301376932672 0.01638404387982 0.81191794578740 28.085 31 Si 0.77301376932672 0.48361595612018 0.18808205421260 28.085 32 Si 0.77301376932672 0.01638404387982 0.68808205421260 28.085 33 N 0.30605266818432 0.42795383378159 0.90986088095367 14.007 34 N 0.59737536410551 0.52417455040280 0.28526185508659 14.007 35 N 0.34730267679930 0.27721149092738 0.53627561543921 14.007 36 N 0.77790058817545 0.68132289948673 0.66286443253200 14.007 37 N 0.90262463589449 0.02417455040280 0.28526185508659 14.007 38 N 0.72209941182455 0.18132289948673 0.66286443253200 14.007 39 N 0.22209941182455 0.31867710051327 0.33713556746800 14.007 40 N 0.40262463589449 0.47582544959720 0.71473814491341 14.007 41 N 0.59737536410551 0.97582544959720 0.78526185508659 14.007 42 N 0.15269732320070 0.72278850907262 0.03627561543921 14.007 43 N 0.19394733181568 0.92795383378159 0.90986088095367 14.007 44 N 0.09737536410551 0.97582544959720 0.71473814491341 14.007 45 N 0.27790058817545 0.81867710051327 0.33713556746800 14.007 46 N 0.80605266818432 0.42795383378159 0.59013911904633 14.007 47 N 0.15269732320070 0.77721149092738 0.53627561543921 14.007 48 N 0.84730267679931 0.22278850907262 0.46372438456079 14.007 49 N 0.65269732320069 0.72278850907262 0.46372438456079 14.007 50 N 0.69394733181568 0.92795383378159 0.59013911904633 14.007 51 N 0.09737536410551 0.52417455040280 0.21473814491341 14.007 52 N 0.19394733181568 0.57204616621841 0.40986088095367 14.007 53 N 0.22209941182455 0.18132289948673 0.83713556746800 14.007 54 N 0.34730267679930 0.22278850907262 0.03627561543921 14.007 55 N 0.40262463589449 0.02417455040280 0.21473814491341 14.007 56 N 0.65269732320069 0.77721149092738 0.96372438456079 14.007 57 N 0.27790058817545 0.68132289948673 0.83713556746800 14.007 58 N 0.72209941182455 0.31867710051327 0.16286443253200 14.007 59 N 0.90262463589449 0.47582544959720 0.78526185508659 14.007 60 N 0.80605266818432 0.07204616621841 0.09013911904633 14.007 61 N 0.84730267679931 0.27721149092738 0.96372438456079 14.007 62 N 0.77790058817545 0.81867710051327 0.16286443253200 14.007 63 N 0.30605266818432 0.07204616621841 0.40986088095367 14.007 64 N 0.69394733181568 0.57204616621841 0.09013911904633 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.209603059999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.159865529999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.798962519999996 Atomic positions (fractional): 1 Ca 0.32551110867987 0.27454696966485 0.81242556932531 40.078 > 1 2 Ca 0.82551110867987 0.27454696966485 0.81242556932531 40.078 > 1 3 Ca 0.37024684990735 0.50904282232032 0.93484611871493 40.078 > 3 4 Ca 0.87024684990735 0.50904282232032 0.93484611871493 40.078 > 3 5 Ca 0.12024684990735 0.99095717767968 0.06515388128507 40.078 > 5 6 Ca 0.62024684990735 0.99095717767968 0.06515388128507 40.078 > 5 7 Ca 0.42448889132013 0.72545303033515 0.31242556932531 40.078 > 7 8 Ca 0.92448889132013 0.72545303033515 0.31242556932531 40.078 > 7 9 Ca 0.17448889132013 0.72545303033515 0.18757443067469 40.078 > 9 10 Ca 0.67448889132013 0.72545303033515 0.18757443067469 40.078 > 9 11 Ca 0.12975315009265 0.00904282232032 0.56515388128507 40.078 > 11 12 Ca 0.62975315009265 0.00904282232032 0.56515388128507 40.078 > 11 13 Ca 0.12975315009265 0.49095717767968 0.06515388128507 40.078 > 13 14 Ca 0.62975315009265 0.49095717767968 0.06515388128507 40.078 > 13 15 Ca 0.17448889132013 0.77454696966485 0.68757443067469 40.078 > 15 16 Ca 0.67448889132013 0.77454696966485 0.68757443067469 40.078 > 15 17 Ca 0.07551110867987 0.22545303033515 0.18757443067469 40.078 > 17 18 Ca 0.57551110867987 0.22545303033515 0.18757443067469 40.078 > 17 19 Ca 0.07551110867987 0.27454696966485 0.68757443067469 40.078 > 19 20 Ca 0.57551110867987 0.27454696966485 0.68757443067469 40.078 > 19 21 Ca 0.37024684990735 0.99095717767968 0.43484611871493 40.078 > 21 22 Ca 0.87024684990735 0.99095717767968 0.43484611871493 40.078 > 21 23 Ca 0.32551110867987 0.22545303033515 0.31242556932531 40.078 > 23 24 Ca 0.82551110867987 0.22545303033515 0.31242556932531 40.078 > 23 25 Ca 0.12024684990735 0.50904282232032 0.56515388128507 40.078 > 25 26 Ca 0.62024684990735 0.50904282232032 0.56515388128507 40.078 > 25 27 Ca 0.37975315009265 0.00904282232032 0.93484611871493 40.078 > 27 28 Ca 0.87975315009265 0.00904282232032 0.93484611871493 40.078 > 27 29 Ca 0.37975315009265 0.49095717767968 0.43484611871493 40.078 > 29 30 Ca 0.87975315009265 0.49095717767968 0.43484611871493 40.078 > 29 31 Ca 0.42448889132013 0.77454696966485 0.81242556932531 40.078 > 31 32 Ca 0.92448889132013 0.77454696966485 0.81242556932531 40.078 > 31 33 Si 0.13650688466336 0.48361595612018 0.31191794578740 28.085 > 33 34 Si 0.63650688466336 0.48361595612018 0.31191794578740 28.085 > 33 35 Si 0.34105080163811 0.22978887959418 0.06274768722221 28.085 > 35 36 Si 0.84105080163811 0.22978887959418 0.06274768722221 28.085 > 35 37 Si 0.34105080163811 0.27021112040582 0.56274768722221 28.085 > 37 38 Si 0.84105080163811 0.27021112040582 0.56274768722221 28.085 > 37 39 Si 0.09105080163811 0.27021112040582 0.93725231277779 28.085 > 39 40 Si 0.59105080163811 0.27021112040582 0.93725231277779 28.085 > 39 41 Si 0.40894919836189 0.77021112040582 0.56274768722221 28.085 > 41 42 Si 0.90894919836189 0.77021112040582 0.56274768722221 28.085 > 41 43 Si 0.15894919836189 0.77021112040582 0.93725231277779 28.085 > 43 44 Si 0.65894919836189 0.77021112040582 0.93725231277779 28.085 > 43 45 Si 0.40894919836189 0.72978887959418 0.06274768722221 28.085 > 45 46 Si 0.90894919836189 0.72978887959418 0.06274768722221 28.085 > 45 47 Si 0.36349311533664 0.51638404387982 0.68808205421260 28.085 > 47 48 Si 0.86349311533664 0.51638404387982 0.68808205421260 28.085 > 47 49 Si 0.09105080163811 0.22978887959418 0.43725231277779 28.085 > 49 50 Si 0.59105080163811 0.22978887959418 0.43725231277779 28.085 > 49 51 Si 0.11349311533664 0.98361595612018 0.31191794578740 28.085 > 51 52 Si 0.61349311533664 0.98361595612018 0.31191794578740 28.085 > 51 53 Si 0.36349311533664 0.98361595612018 0.18808205421260 28.085 > 53 54 Si 0.86349311533664 0.98361595612018 0.18808205421260 28.085 > 53 55 Si 0.15894919836189 0.72978887959418 0.43725231277779 28.085 > 55 56 Si 0.65894919836189 0.72978887959418 0.43725231277779 28.085 > 55 57 Si 0.11349311533664 0.51638404387982 0.81191794578740 28.085 > 57 58 Si 0.61349311533664 0.51638404387982 0.81191794578740 28.085 > 57 59 Si 0.13650688466336 0.01638404387982 0.81191794578740 28.085 > 59 60 Si 0.63650688466336 0.01638404387982 0.81191794578740 28.085 > 59 61 Si 0.38650688466336 0.48361595612018 0.18808205421260 28.085 > 61 62 Si 0.88650688466336 0.48361595612018 0.18808205421260 28.085 > 61 63 Si 0.38650688466336 0.01638404387982 0.68808205421260 28.085 > 63 64 Si 0.88650688466336 0.01638404387982 0.68808205421260 28.085 > 63 65 N 0.15302633409216 0.42795383378159 0.90986088095367 14.007 > 65 66 N 0.65302633409216 0.42795383378159 0.90986088095367 14.007 > 65 67 N 0.29868768205276 0.52417455040280 0.28526185508659 14.007 > 67 68 N 0.79868768205276 0.52417455040280 0.28526185508659 14.007 > 67 69 N 0.17365133839965 0.27721149092738 0.53627561543921 14.007 > 69 70 N 0.67365133839965 0.27721149092738 0.53627561543921 14.007 > 69 71 N 0.38895029408773 0.68132289948673 0.66286443253200 14.007 > 71 72 N 0.88895029408773 0.68132289948673 0.66286443253200 14.007 > 71 73 N 0.45131231794724 0.02417455040280 0.28526185508659 14.007 > 73 74 N 0.95131231794724 0.02417455040280 0.28526185508659 14.007 > 73 75 N 0.36104970591227 0.18132289948673 0.66286443253200 14.007 > 75 76 N 0.86104970591227 0.18132289948673 0.66286443253200 14.007 > 75 77 N 0.11104970591227 0.31867710051327 0.33713556746800 14.007 > 77 78 N 0.61104970591227 0.31867710051327 0.33713556746800 14.007 > 77 79 N 0.20131231794724 0.47582544959720 0.71473814491341 14.007 > 79 80 N 0.70131231794724 0.47582544959720 0.71473814491341 14.007 > 79 81 N 0.29868768205276 0.97582544959720 0.78526185508659 14.007 > 81 82 N 0.79868768205276 0.97582544959720 0.78526185508659 14.007 > 81 83 N 0.07634866160035 0.72278850907262 0.03627561543921 14.007 > 83 84 N 0.57634866160035 0.72278850907262 0.03627561543921 14.007 > 83 85 N 0.09697366590784 0.92795383378159 0.90986088095367 14.007 > 85 86 N 0.59697366590784 0.92795383378159 0.90986088095367 14.007 > 85 87 N 0.04868768205276 0.97582544959720 0.71473814491341 14.007 > 87 88 N 0.54868768205276 0.97582544959720 0.71473814491341 14.007 > 87 89 N 0.13895029408773 0.81867710051327 0.33713556746800 14.007 > 89 90 N 0.63895029408773 0.81867710051327 0.33713556746800 14.007 > 89 91 N 0.40302633409216 0.42795383378159 0.59013911904633 14.007 > 91 92 N 0.90302633409216 0.42795383378159 0.59013911904633 14.007 > 91 93 N 0.07634866160035 0.77721149092738 0.53627561543921 14.007 > 93 94 N 0.57634866160035 0.77721149092738 0.53627561543921 14.007 > 93 95 N 0.42365133839965 0.22278850907262 0.46372438456079 14.007 > 95 96 N 0.92365133839965 0.22278850907262 0.46372438456079 14.007 > 95 97 N 0.32634866160035 0.72278850907262 0.46372438456079 14.007 > 97 98 N 0.82634866160035 0.72278850907262 0.46372438456079 14.007 > 97 99 N 0.34697366590784 0.92795383378159 0.59013911904633 14.007 > 99 100 N 0.84697366590784 0.92795383378159 0.59013911904633 14.007 > 99 101 N 0.04868768205276 0.52417455040280 0.21473814491341 14.007 > 101 102 N 0.54868768205276 0.52417455040280 0.21473814491341 14.007 > 101 103 N 0.09697366590784 0.57204616621841 0.40986088095367 14.007 > 103 104 N 0.59697366590784 0.57204616621841 0.40986088095367 14.007 > 103 105 N 0.11104970591227 0.18132289948673 0.83713556746800 14.007 > 105 106 N 0.61104970591227 0.18132289948673 0.83713556746800 14.007 > 105 107 N 0.17365133839965 0.22278850907262 0.03627561543921 14.007 > 107 108 N 0.67365133839965 0.22278850907262 0.03627561543921 14.007 > 107 109 N 0.20131231794724 0.02417455040280 0.21473814491341 14.007 > 109 110 N 0.70131231794724 0.02417455040280 0.21473814491341 14.007 > 109 111 N 0.32634866160035 0.77721149092738 0.96372438456079 14.007 > 111 112 N 0.82634866160035 0.77721149092738 0.96372438456079 14.007 > 111 113 N 0.13895029408773 0.68132289948673 0.83713556746800 14.007 > 113 114 N 0.63895029408773 0.68132289948673 0.83713556746800 14.007 > 113 115 N 0.36104970591227 0.31867710051327 0.16286443253200 14.007 > 115 116 N 0.86104970591227 0.31867710051327 0.16286443253200 14.007 > 115 117 N 0.45131231794724 0.47582544959720 0.78526185508659 14.007 > 117 118 N 0.95131231794724 0.47582544959720 0.78526185508659 14.007 > 117 119 N 0.40302633409216 0.07204616621841 0.09013911904633 14.007 > 119 120 N 0.90302633409216 0.07204616621841 0.09013911904633 14.007 > 119 121 N 0.42365133839965 0.27721149092738 0.96372438456079 14.007 > 121 122 N 0.92365133839965 0.27721149092738 0.96372438456079 14.007 > 121 123 N 0.38895029408773 0.81867710051327 0.16286443253200 14.007 > 123 124 N 0.88895029408773 0.81867710051327 0.16286443253200 14.007 > 123 125 N 0.15302633409216 0.07204616621841 0.40986088095367 14.007 > 125 126 N 0.65302633409216 0.07204616621841 0.40986088095367 14.007 > 125 127 N 0.34697366590784 0.57204616621841 0.09013911904633 14.007 > 127 128 N 0.84697366590784 0.57204616621841 0.09013911904633 14.007 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1102006 0.0000000 0.0000000 0.0000000 5.0186751 0.0000000 0.0000000 0.0000000 5.0121234 -------------------------- Born effective charges -------------------------- 1 Ca 2.3443484 0.0797965 -0.0631103 0.1128249 2.3376955 0.0179802 -0.0071827 0.1049896 2.3516571 2 Ca 2.5283697 -0.0772457 0.0298744 -0.0740877 2.4727624 0.1407053 -0.1169385 0.2004760 2.4244826 3 Ca 2.5283697 0.0772457 -0.0298744 0.0740877 2.4727624 0.1407053 0.1169385 0.2004760 2.4244826 4 Ca 2.3443484 0.0797965 0.0631103 0.1128249 2.3376955 -0.0179802 0.0071827 -0.1049896 2.3516571 5 Ca 2.3443484 0.0797965 -0.0631103 0.1128249 2.3376955 0.0179802 -0.0071827 0.1049896 2.3516571 6 Ca 2.5283697 0.0772457 0.0298744 0.0740877 2.4727624 -0.1407053 -0.1169385 -0.2004760 2.4244826 7 Ca 2.5283697 -0.0772457 0.0298744 -0.0740877 2.4727624 0.1407053 -0.1169385 0.2004760 2.4244826 8 Ca 2.3443484 -0.0797965 -0.0631103 -0.1128249 2.3376955 -0.0179802 -0.0071827 -0.1049896 2.3516571 9 Ca 2.3443484 -0.0797965 0.0631103 -0.1128249 2.3376955 0.0179802 0.0071827 0.1049896 2.3516571 10 Ca 2.3443484 0.0797965 0.0631103 0.1128249 2.3376955 -0.0179802 0.0071827 -0.1049896 2.3516571 11 Ca 2.5283697 0.0772457 0.0298744 0.0740877 2.4727624 -0.1407053 -0.1169385 -0.2004760 2.4244826 12 Ca 2.3443484 -0.0797965 -0.0631103 -0.1128249 2.3376955 -0.0179802 -0.0071827 -0.1049896 2.3516571 13 Ca 2.5283697 -0.0772457 -0.0298744 -0.0740877 2.4727624 -0.1407053 0.1169385 -0.2004760 2.4244826 14 Ca 2.5283697 0.0772457 -0.0298744 0.0740877 2.4727624 0.1407053 0.1169385 0.2004760 2.4244826 15 Ca 2.5283697 -0.0772457 -0.0298744 -0.0740877 2.4727624 -0.1407053 0.1169385 -0.2004760 2.4244826 16 Ca 2.3443484 -0.0797965 0.0631103 -0.1128249 2.3376955 0.0179802 0.0071827 0.1049896 2.3516571 17 Si 2.9257791 0.2366208 0.0407307 0.1816813 3.0735549 0.1210343 -0.2064419 -0.1812659 3.1708839 18 Si 3.1235520 0.0319083 -0.1575884 -0.1390961 2.9032111 -0.0391254 0.1542833 -0.1744211 3.4294509 19 Si 3.1235520 -0.0319083 -0.1575884 0.1390961 2.9032111 0.0391254 0.1542833 0.1744211 3.4294509 20 Si 3.1235520 -0.0319083 0.1575884 0.1390961 2.9032111 -0.0391254 -0.1542833 -0.1744211 3.4294509 21 Si 3.1235520 0.0319083 0.1575884 -0.1390961 2.9032111 0.0391254 -0.1542833 0.1744211 3.4294509 22 Si 3.1235520 0.0319083 -0.1575884 -0.1390961 2.9032111 -0.0391254 0.1542833 -0.1744211 3.4294509 23 Si 3.1235520 -0.0319083 0.1575884 0.1390961 2.9032111 -0.0391254 -0.1542833 -0.1744211 3.4294509 24 Si 2.9257791 0.2366208 0.0407307 0.1816813 3.0735549 0.1210343 -0.2064419 -0.1812659 3.1708839 25 Si 3.1235520 0.0319083 0.1575884 -0.1390961 2.9032111 0.0391254 -0.1542833 0.1744211 3.4294509 26 Si 2.9257791 -0.2366208 -0.0407307 -0.1816813 3.0735549 0.1210343 0.2064419 -0.1812659 3.1708839 27 Si 2.9257791 -0.2366208 0.0407307 -0.1816813 3.0735549 -0.1210343 -0.2064419 0.1812659 3.1708839 28 Si 3.1235520 -0.0319083 -0.1575884 0.1390961 2.9032111 0.0391254 0.1542833 0.1744211 3.4294509 29 Si 2.9257791 0.2366208 -0.0407307 0.1816813 3.0735549 -0.1210343 0.2064419 0.1812659 3.1708839 30 Si 2.9257791 -0.2366208 0.0407307 -0.1816813 3.0735549 -0.1210343 -0.2064419 0.1812659 3.1708839 31 Si 2.9257791 0.2366208 -0.0407307 0.1816813 3.0735549 -0.1210343 0.2064419 0.1812659 3.1708839 32 Si 2.9257791 -0.2366208 -0.0407307 -0.1816813 3.0735549 0.1210343 0.2064419 -0.1812659 3.1708839 33 N -2.4260271 -0.0875375 -0.0008799 -0.2204139 -2.9692212 0.6030846 0.0309001 0.3714902 -2.8723976 34 N -3.1332427 -0.2057592 0.6129543 -0.1157992 -2.3220402 -0.0324858 0.3996748 0.0156509 -2.8377325 35 N -3.1250067 -0.0999640 -0.5100505 -0.1131148 -2.2869532 -0.2272544 -0.5079051 -0.2537547 -2.8105212 36 N -2.2377727 -0.1688392 0.1001589 -0.0210282 -3.2090093 0.5805723 0.1173116 0.5012354 -2.8558232 37 N -3.1332427 0.2057592 -0.6129543 0.1157992 -2.3220402 -0.0324858 -0.3996748 0.0156509 -2.8377325 38 N -2.2377727 0.1688392 -0.1001589 0.0210282 -3.2090093 0.5805723 -0.1173116 0.5012354 -2.8558232 39 N -2.2377727 -0.1688392 0.1001589 -0.0210282 -3.2090093 0.5805723 0.1173116 0.5012354 -2.8558232 40 N -3.1332427 -0.2057592 0.6129543 -0.1157992 -2.3220402 -0.0324858 0.3996748 0.0156509 -2.8377325 41 N -3.1332427 0.2057592 0.6129543 0.1157992 -2.3220402 0.0324858 0.3996748 -0.0156509 -2.8377325 42 N -3.1250067 -0.0999640 0.5100505 -0.1131148 -2.2869532 0.2272544 0.5079051 0.2537547 -2.8105212 43 N -2.4260271 0.0875375 0.0008799 0.2204139 -2.9692212 0.6030846 -0.0309001 0.3714902 -2.8723976 44 N -3.1332427 0.2057592 -0.6129543 0.1157992 -2.3220402 -0.0324858 -0.3996748 0.0156509 -2.8377325 45 N -2.2377727 0.1688392 -0.1001589 0.0210282 -3.2090093 0.5805723 -0.1173116 0.5012354 -2.8558232 46 N -2.4260271 -0.0875375 0.0008799 -0.2204139 -2.9692212 -0.6030846 -0.0309001 -0.3714902 -2.8723976 47 N -3.1250067 0.0999640 0.5100505 0.1131148 -2.2869532 -0.2272544 0.5079051 -0.2537547 -2.8105212 48 N -3.1250067 0.0999640 0.5100505 0.1131148 -2.2869532 -0.2272544 0.5079051 -0.2537547 -2.8105212 49 N -3.1250067 -0.0999640 -0.5100505 -0.1131148 -2.2869532 -0.2272544 -0.5079051 -0.2537547 -2.8105212 50 N -2.4260271 0.0875375 -0.0008799 0.2204139 -2.9692212 -0.6030846 0.0309001 -0.3714902 -2.8723976 51 N -3.1332427 -0.2057592 -0.6129543 -0.1157992 -2.3220402 0.0324858 -0.3996748 -0.0156509 -2.8377325 52 N -2.4260271 -0.0875375 0.0008799 -0.2204139 -2.9692212 -0.6030846 -0.0309001 -0.3714902 -2.8723976 53 N -2.2377727 0.1688392 0.1001589 0.0210282 -3.2090093 -0.5805723 0.1173116 -0.5012354 -2.8558232 54 N -3.1250067 0.0999640 -0.5100505 0.1131148 -2.2869532 0.2272544 -0.5079051 0.2537547 -2.8105212 55 N -3.1332427 0.2057592 0.6129543 0.1157992 -2.3220402 0.0324858 0.3996748 -0.0156509 -2.8377325 56 N -3.1250067 0.0999640 -0.5100505 0.1131148 -2.2869532 0.2272544 -0.5079051 0.2537547 -2.8105212 57 N -2.2377727 -0.1688392 -0.1001589 -0.0210282 -3.2090093 -0.5805723 -0.1173116 -0.5012354 -2.8558232 58 N -2.2377727 -0.1688392 -0.1001589 -0.0210282 -3.2090093 -0.5805723 -0.1173116 -0.5012354 -2.8558232 59 N -3.1332427 -0.2057592 -0.6129543 -0.1157992 -2.3220402 0.0324858 -0.3996748 -0.0156509 -2.8377325 60 N -2.4260271 0.0875375 0.0008799 0.2204139 -2.9692212 0.6030846 -0.0309001 0.3714902 -2.8723976 61 N -3.1250067 -0.0999640 0.5100505 -0.1131148 -2.2869532 0.2272544 0.5079051 0.2537547 -2.8105212 62 N -2.2377727 0.1688392 0.1001589 0.0210282 -3.2090093 -0.5805723 0.1173116 -0.5012354 -2.8558232 63 N -2.4260271 0.0875375 -0.0008799 0.2204139 -2.9692212 -0.6030846 0.0309001 -0.3714902 -2.8723976 64 N -2.4260271 -0.0875375 -0.0008799 -0.2204139 -2.9692212 0.6030846 0.0309001 0.3714902 -2.8723976 ---------------------------------------------------------------------------- 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 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 5 3 ] 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: 0.45, Number of G-points: 317, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.527 ( 0.000 0.000 0.000) 0.000 2.720 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.032 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 0.000) 0.000 5.921 ( 0.000 0.000 0.000) 0.000 6.087 ( 0.000 0.000 0.000) 0.000 6.264 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.435 ( 0.000 0.000 0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.761 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 6.896 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 7.047 ( 0.000 0.000 0.000) 0.000 7.049 ( 0.000 0.000 0.000) 0.000 7.107 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.140 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.390 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 7.639 ( 0.000 0.000 0.000) 0.000 7.826 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 8.048 ( 0.000 0.000 0.000) 0.000 8.055 ( 0.000 0.000 0.000) 0.000 8.192 ( 0.000 0.000 0.000) 0.000 8.198 ( 0.000 0.000 0.000) 0.000 8.305 ( 0.000 0.000 0.000) 0.000 8.310 ( 0.000 0.000 0.000) 0.000 8.389 ( 0.000 0.000 0.000) 0.000 8.395 ( 0.000 0.000 0.000) 0.000 8.434 ( 0.000 0.000 0.000) 0.000 8.649 ( 0.000 0.000 0.000) 0.000 8.804 ( 0.000 0.000 0.000) 0.000 8.867 ( 0.000 0.000 0.000) 0.000 8.916 ( 0.000 0.000 0.000) 0.000 9.065 ( 0.000 0.000 0.000) 0.000 9.179 ( 0.000 0.000 0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.308 ( 0.000 0.000 0.000) 0.000 9.351 ( 0.000 0.000 0.000) 0.000 9.553 ( 0.000 0.000 0.000) 0.000 9.695 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 9.863 ( 0.000 0.000 0.000) 0.000 9.948 ( 0.000 0.000 0.000) 0.000 10.050 ( 0.000 0.000 0.000) 0.000 10.115 ( 0.000 0.000 0.000) 0.000 10.189 ( 0.000 0.000 0.000) 0.000 10.366 ( 0.000 0.000 0.000) 0.000 10.426 ( 0.000 0.000 0.000) 0.000 10.456 ( 0.000 0.000 0.000) 0.000 10.528 ( 0.000 0.000 0.000) 0.000 10.836 ( 0.000 0.000 0.000) 0.000 11.611 ( 0.000 0.000 0.000) 0.000 11.672 ( 0.000 0.000 0.000) 0.000 11.739 ( 0.000 0.000 0.000) 0.000 11.757 ( 0.000 0.000 0.000) 0.000 11.761 ( 0.000 0.000 0.000) 0.000 11.850 ( 0.000 0.000 0.000) 0.000 12.104 ( 0.000 0.000 0.000) 0.000 12.144 ( 0.000 0.000 0.000) 0.000 12.233 ( 0.000 0.000 0.000) 0.000 12.397 ( 0.000 0.000 0.000) 0.000 12.569 ( 0.000 0.000 0.000) 0.000 12.688 ( 0.000 0.000 0.000) 0.000 12.697 ( 0.000 0.000 0.000) 0.000 12.706 ( 0.000 0.000 0.000) 0.000 13.395 ( 0.000 0.000 0.000) 0.000 13.541 ( 0.000 0.000 0.000) 0.000 13.647 ( 0.000 0.000 0.000) 0.000 13.800 ( 0.000 0.000 0.000) 0.000 13.959 ( 0.000 0.000 0.000) 0.000 14.032 ( 0.000 0.000 0.000) 0.000 14.305 ( 0.000 0.000 0.000) 0.000 14.319 ( 0.000 0.000 0.000) 0.000 14.402 ( 0.000 0.000 0.000) 0.000 14.745 ( 0.000 0.000 0.000) 0.000 14.918 ( 0.000 0.000 0.000) 0.000 15.090 ( 0.000 0.000 0.000) 0.000 15.402 ( 0.000 0.000 0.000) 0.000 15.485 ( 0.000 0.000 0.000) 0.000 15.517 ( 0.000 0.000 0.000) 0.000 15.684 ( 0.000 0.000 0.000) 0.000 15.686 ( 0.000 0.000 0.000) 0.000 15.718 ( 0.000 0.000 0.000) 0.000 15.844 ( 0.000 0.000 0.000) 0.000 15.900 ( 0.000 0.000 0.000) 0.000 15.976 ( 0.000 0.000 0.000) 0.000 16.054 ( 0.000 0.000 0.000) 0.000 16.117 ( 0.000 0.000 0.000) 0.000 16.259 ( 0.000 0.000 0.000) 0.000 16.463 ( 0.000 0.000 0.000) 0.000 16.468 ( 0.000 0.000 0.000) 0.000 16.486 ( 0.000 0.000 0.000) 0.000 16.549 ( 0.000 0.000 0.000) 0.000 16.775 ( 0.000 0.000 0.000) 0.000 16.981 ( 0.000 0.000 0.000) 0.000 16.995 ( 0.000 0.000 0.000) 0.000 17.757 ( 0.000 0.000 0.000) 0.000 17.903 ( 0.000 0.000 0.000) 0.000 18.630 ( 0.000 0.000 0.000) 0.000 19.055 ( 0.000 0.000 0.000) 0.000 19.425 ( 0.000 0.000 0.000) 0.000 19.842 ( 0.000 0.000 0.000) 0.000 19.870 ( 0.000 0.000 0.000) 0.000 20.017 ( 0.000 0.000 0.000) 0.000 20.021 ( 0.000 0.000 0.000) 0.000 20.079 ( 0.000 0.000 0.000) 0.000 20.224 ( 0.000 0.000 0.000) 0.000 20.311 ( 0.000 0.000 0.000) 0.000 20.315 ( 0.000 0.000 0.000) 0.000 20.372 ( 0.000 0.000 0.000) 0.000 20.415 ( 0.000 0.000 0.000) 0.000 20.591 ( 0.000 0.000 0.000) 0.000 20.952 ( 0.000 0.000 0.000) 0.000 21.328 ( 0.000 0.000 0.000) 0.000 21.417 ( 0.000 0.000 0.000) 0.000 21.511 ( 0.000 0.000 0.000) 0.000 21.938 ( 0.000 0.000 0.000) 0.000 21.998 ( 0.000 0.000 0.000) 0.000 22.240 ( 0.000 0.000 0.000) 0.000 22.259 ( 0.000 0.000 0.000) 0.000 22.307 ( 0.000 0.000 0.000) 0.000 25.432 ( 0.000 0.000 0.000) 0.000 25.440 ( 0.000 0.000 0.000) 0.000 25.651 ( 0.000 0.000 0.000) 0.000 25.722 ( 0.000 0.000 0.000) 0.000 25.786 ( 0.000 0.000 0.000) 0.000 25.825 ( 0.000 0.000 0.000) 0.000 25.931 ( 0.000 0.000 0.000) 0.000 26.042 ( 0.000 0.000 0.000) 0.000 26.328 ( 0.000 0.000 0.000) 0.000 26.479 ( 0.000 0.000 0.000) 0.000 26.505 ( 0.000 0.000 0.000) 0.000 26.557 ( 0.000 0.000 0.000) 0.000 26.587 ( 0.000 0.000 0.000) 0.000 26.676 ( 0.000 0.000 0.000) 0.000 26.790 ( 0.000 0.000 0.000) 0.000 26.853 ( 0.000 0.000 0.000) 0.000 27.106 ( 0.000 0.000 0.000) 0.000 27.930 ( 0.000 0.000 0.000) 0.000 27.938 ( 0.000 0.000 0.000) 0.000 27.946 ( 0.000 0.000 0.000) 0.000 28.025 ( 0.000 0.000 0.000) 0.000 28.055 ( 0.000 0.000 0.000) 0.000 28.229 ( 0.000 0.000 0.000) 0.000 28.289 ( 0.000 0.000 0.000) 0.000 28.917 ( 0.000 0.000 0.000) 0.000 29.081 ( 0.000 0.000 0.000) 0.000 29.210 ( 0.000 0.000 0.000) 0.000 29.248 ( 0.000 0.000 0.000) 0.000 29.674 ( 0.000 0.000 0.000) 0.000 29.722 ( 0.000 0.000 0.000) 0.000 29.864 ( 0.000 0.000 0.000) 0.000 30.118 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 37.919 0.000 0.000) 37.919 1.154 ( 57.714 0.000 0.000) 57.714 1.572 ( 4.524 0.000 0.000) 4.524 1.578 ( 72.948 0.000 0.000) 72.948 2.661 ( -26.771 0.000 0.000) 26.771 2.916 ( 2.575 0.000 0.000) 2.575 2.924 ( -1.247 0.000 0.000) 1.247 2.991 ( -1.279 0.000 0.000) 1.279 3.004 ( 21.654 0.000 0.000) 21.654 3.049 ( -18.409 0.000 0.000) 18.409 3.052 ( -2.799 0.000 0.000) 2.799 3.185 ( -30.794 0.000 0.000) 30.794 3.339 ( -1.554 0.000 0.000) 1.554 3.427 ( -12.810 0.000 0.000) 12.810 3.537 ( 11.218 0.000 0.000) 11.218 3.644 ( -0.485 0.000 0.000) 0.485 3.688 ( 21.257 0.000 0.000) 21.257 3.899 ( -3.887 0.000 0.000) 3.887 4.046 ( -9.323 0.000 0.000) 9.323 4.230 ( 9.075 0.000 0.000) 9.075 4.435 ( 15.387 0.000 0.000) 15.387 4.490 ( 9.080 0.000 0.000) 9.080 4.779 ( -15.104 0.000 0.000) 15.104 4.900 ( -15.024 0.000 0.000) 15.024 4.935 ( -4.337 0.000 0.000) 4.337 5.062 ( -21.800 0.000 0.000) 21.800 5.079 ( -13.418 0.000 0.000) 13.418 5.155 ( 6.062 0.000 0.000) 6.062 5.213 ( -1.722 0.000 0.000) 1.722 5.367 ( 13.916 0.000 0.000) 13.916 5.525 ( 13.537 0.000 0.000) 13.537 5.612 ( 2.538 0.000 0.000) 2.538 5.663 ( -13.331 0.000 0.000) 13.331 5.780 ( 12.417 0.000 0.000) 12.417 5.970 ( 0.038 0.000 0.000) 0.038 6.032 ( 0.405 0.000 0.000) 0.405 6.106 ( -6.550 0.000 0.000) 6.550 6.352 ( -9.494 0.000 0.000) 9.494 6.398 ( 5.813 0.000 0.000) 5.813 6.402 ( 26.546 0.000 0.000) 26.546 6.473 ( -21.881 0.000 0.000) 21.881 6.599 ( 10.617 0.000 0.000) 10.617 6.619 ( 16.280 0.000 0.000) 16.280 6.832 ( 1.774 0.000 0.000) 1.774 6.835 ( -0.370 0.000 0.000) 0.370 6.980 ( 1.005 0.000 0.000) 1.005 7.031 ( -10.300 0.000 0.000) 10.300 7.061 ( -3.494 0.000 0.000) 3.494 7.061 ( 7.178 0.000 0.000) 7.178 7.119 ( 5.871 0.000 0.000) 5.871 7.152 ( 1.866 0.000 0.000) 1.866 7.246 ( -2.631 0.000 0.000) 2.631 7.350 ( 1.863 0.000 0.000) 1.863 7.390 ( -4.950 0.000 0.000) 4.950 7.412 ( 9.209 0.000 0.000) 9.209 7.569 ( -8.012 0.000 0.000) 8.012 7.844 ( -4.818 0.000 0.000) 4.818 7.960 ( 9.431 0.000 0.000) 9.431 7.977 ( -0.582 0.000 0.000) 0.582 8.010 ( -0.846 0.000 0.000) 0.846 8.116 ( -4.386 0.000 0.000) 4.386 8.136 ( -4.602 0.000 0.000) 4.602 8.235 ( -9.966 0.000 0.000) 9.966 8.339 ( -0.726 0.000 0.000) 0.726 8.425 ( 3.568 0.000 0.000) 3.568 8.436 ( 0.673 0.000 0.000) 0.673 8.544 ( 16.140 0.000 0.000) 16.140 8.725 ( 3.160 0.000 0.000) 3.160 8.761 ( -4.891 0.000 0.000) 4.891 8.778 ( -4.547 0.000 0.000) 4.547 8.900 ( 0.255 0.000 0.000) 0.255 8.957 ( -1.404 0.000 0.000) 1.404 9.169 ( 10.718 0.000 0.000) 10.718 9.174 ( -4.997 0.000 0.000) 4.997 9.241 ( -6.288 0.000 0.000) 6.288 9.278 ( -6.084 0.000 0.000) 6.084 9.325 ( 10.831 0.000 0.000) 10.831 9.621 ( 6.719 0.000 0.000) 6.719 9.628 ( -5.376 0.000 0.000) 5.376 9.662 ( -5.020 0.000 0.000) 5.020 9.770 ( -8.653 0.000 0.000) 8.653 10.000 ( 4.991 0.000 0.000) 4.991 10.016 ( -8.862 0.000 0.000) 8.862 10.086 ( 7.934 0.000 0.000) 7.934 10.244 ( -8.544 0.000 0.000) 8.544 10.374 ( 1.248 0.000 0.000) 1.248 10.454 ( 20.319 0.000 0.000) 20.319 10.483 ( 2.714 0.000 0.000) 2.714 10.897 ( 21.329 0.000 0.000) 21.329 10.994 ( 14.992 0.000 0.000) 14.992 11.463 ( -3.638 0.000 0.000) 3.638 11.555 ( -6.754 0.000 0.000) 6.754 11.733 ( -1.016 0.000 0.000) 1.016 11.796 ( -0.803 0.000 0.000) 0.803 11.802 ( -0.026 0.000 0.000) 0.026 11.978 ( 5.086 0.000 0.000) 5.086 12.131 ( 0.187 0.000 0.000) 0.187 12.255 ( 2.502 0.000 0.000) 2.502 12.308 ( 14.424 0.000 0.000) 14.424 12.312 ( -7.751 0.000 0.000) 7.751 12.637 ( 6.770 0.000 0.000) 6.770 12.656 ( 1.305 0.000 0.000) 1.305 12.817 ( -0.418 0.000 0.000) 0.418 12.819 ( 6.935 0.000 0.000) 6.935 13.425 ( 3.574 0.000 0.000) 3.574 13.457 ( -16.566 0.000 0.000) 16.566 13.641 ( -20.868 0.000 0.000) 20.868 13.674 ( 12.018 0.000 0.000) 12.018 13.910 ( 9.207 0.000 0.000) 9.207 14.205 ( 6.726 0.000 0.000) 6.726 14.339 ( -2.873 0.000 0.000) 2.873 14.364 ( 3.580 0.000 0.000) 3.580 14.366 ( -3.985 0.000 0.000) 3.985 14.737 ( -1.352 0.000 0.000) 1.352 14.934 ( 0.525 0.000 0.000) 0.525 15.342 ( -6.549 0.000 0.000) 6.549 15.344 ( -14.436 0.000 0.000) 14.436 15.371 ( -16.551 0.000 0.000) 16.551 15.425 ( -8.421 0.000 0.000) 8.421 15.542 ( -12.363 0.000 0.000) 12.363 15.644 ( -12.717 0.000 0.000) 12.717 15.690 ( -3.377 0.000 0.000) 3.377 15.833 ( 2.030 0.000 0.000) 2.030 16.009 ( -5.351 0.000 0.000) 5.351 16.011 ( -10.189 0.000 0.000) 10.189 16.130 ( 7.719 0.000 0.000) 7.719 16.141 ( -10.616 0.000 0.000) 10.616 16.221 ( 20.496 0.000 0.000) 20.496 16.360 ( -10.139 0.000 0.000) 10.139 16.446 ( -0.246 0.000 0.000) 0.246 16.604 ( -15.204 0.000 0.000) 15.204 16.625 ( 9.946 0.000 0.000) 9.946 16.697 ( 12.057 0.000 0.000) 12.057 17.184 ( 19.596 0.000 0.000) 19.596 17.671 ( 3.764 0.000 0.000) 3.764 17.737 ( -15.218 0.000 0.000) 15.218 17.873 ( 11.440 0.000 0.000) 11.440 18.547 ( -6.937 0.000 0.000) 6.937 19.045 ( 0.475 0.000 0.000) 0.475 19.212 ( -16.376 0.000 0.000) 16.376 19.742 ( -10.643 0.000 0.000) 10.643 19.873 ( 1.734 0.000 0.000) 1.734 20.009 ( -2.854 0.000 0.000) 2.854 20.043 ( -1.863 0.000 0.000) 1.863 20.134 ( -3.804 0.000 0.000) 3.804 20.205 ( 12.368 0.000 0.000) 12.368 20.286 ( -7.829 0.000 0.000) 7.829 20.415 ( 10.034 0.000 0.000) 10.034 20.527 ( 2.010 0.000 0.000) 2.010 20.557 ( 10.997 0.000 0.000) 10.997 21.068 ( -5.326 0.000 0.000) 5.326 21.079 ( 12.796 0.000 0.000) 12.796 21.277 ( -11.382 0.000 0.000) 11.382 21.353 ( 2.277 0.000 0.000) 2.277 21.567 ( 9.454 0.000 0.000) 9.454 22.130 ( 10.785 0.000 0.000) 10.785 22.215 ( 20.454 0.000 0.000) 20.454 22.306 ( 5.584 0.000 0.000) 5.584 22.384 ( 6.416 0.000 0.000) 6.416 22.462 ( -3.954 0.000 0.000) 3.954 25.441 ( 0.858 0.000 0.000) 0.858 25.451 ( 1.024 0.000 0.000) 1.024 25.675 ( 2.070 0.000 0.000) 2.070 25.701 ( -2.041 0.000 0.000) 2.041 25.770 ( -1.544 0.000 0.000) 1.544 25.889 ( -3.772 0.000 0.000) 3.772 26.006 ( -3.728 0.000 0.000) 3.728 26.023 ( -2.645 0.000 0.000) 2.645 26.353 ( 2.744 0.000 0.000) 2.744 26.529 ( 2.441 0.000 0.000) 2.441 26.594 ( 3.951 0.000 0.000) 3.951 26.645 ( 5.092 0.000 0.000) 5.092 26.703 ( 2.698 0.000 0.000) 2.698 26.805 ( 1.511 0.000 0.000) 1.511 26.854 ( 0.129 0.000 0.000) 0.129 27.098 ( -0.827 0.000 0.000) 0.827 27.760 ( 2.708 0.000 0.000) 2.708 27.913 ( -2.006 0.000 0.000) 2.006 27.948 ( 2.150 0.000 0.000) 2.150 28.065 ( 3.623 0.000 0.000) 3.623 28.087 ( 3.117 0.000 0.000) 3.117 28.223 ( -0.236 0.000 0.000) 0.236 28.331 ( 3.604 0.000 0.000) 3.604 28.897 ( -1.693 0.000 0.000) 1.693 29.089 ( 0.807 0.000 0.000) 0.807 29.169 ( -3.016 0.000 0.000) 3.016 29.203 ( -0.584 0.000 0.000) 0.584 29.218 ( -3.070 0.000 0.000) 3.070 29.489 ( -12.135 0.000 0.000) 12.135 29.781 ( 0.125 0.000 0.000) 0.125 29.997 ( -11.621 0.000 0.000) 11.621 30.027 ( -5.720 0.000 0.000) 5.720 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 27.771 0.000 0.000) 27.771 1.694 ( 7.109 0.000 0.000) 7.109 2.028 ( -27.183 0.000 0.000) 27.183 2.212 ( 46.728 0.000 0.000) 46.728 2.585 ( 4.151 0.000 0.000) 4.151 2.623 ( -19.643 0.000 0.000) 19.643 2.681 ( -17.862 0.000 0.000) 17.862 2.722 ( -17.332 0.000 0.000) 17.332 2.780 ( -12.946 0.000 0.000) 12.946 3.011 ( 5.966 0.000 0.000) 5.966 3.129 ( 7.077 0.000 0.000) 7.077 3.247 ( -9.679 0.000 0.000) 9.679 3.289 ( -3.322 0.000 0.000) 3.322 3.363 ( 16.315 0.000 0.000) 16.315 3.619 ( -2.275 0.000 0.000) 2.275 3.799 ( 11.035 0.000 0.000) 11.035 3.887 ( 18.592 0.000 0.000) 18.592 3.891 ( 0.851 0.000 0.000) 0.851 4.269 ( 24.255 0.000 0.000) 24.255 4.349 ( -22.009 0.000 0.000) 22.009 4.463 ( -9.345 0.000 0.000) 9.345 4.514 ( -1.040 0.000 0.000) 1.040 4.711 ( 27.561 0.000 0.000) 27.561 4.720 ( -15.760 0.000 0.000) 15.760 4.764 ( 1.245 0.000 0.000) 1.245 4.890 ( -6.620 0.000 0.000) 6.620 4.906 ( 3.912 0.000 0.000) 3.912 5.219 ( -8.217 0.000 0.000) 8.217 5.240 ( 3.445 0.000 0.000) 3.445 5.342 ( -4.832 0.000 0.000) 4.832 5.405 ( -39.306 0.000 0.000) 39.306 5.561 ( 4.292 0.000 0.000) 4.292 5.671 ( -6.259 0.000 0.000) 6.259 5.757 ( 1.521 0.000 0.000) 1.521 5.894 ( 1.339 0.000 0.000) 1.339 5.939 ( 2.249 0.000 0.000) 2.249 6.067 ( 0.459 0.000 0.000) 0.459 6.230 ( -3.253 0.000 0.000) 3.253 6.490 ( 14.042 0.000 0.000) 14.042 6.524 ( 6.712 0.000 0.000) 6.712 6.564 ( -7.206 0.000 0.000) 7.206 6.744 ( 3.843 0.000 0.000) 3.843 6.804 ( -10.817 0.000 0.000) 10.817 6.869 ( -3.668 0.000 0.000) 3.668 6.950 ( 7.981 0.000 0.000) 7.981 6.992 ( -2.799 0.000 0.000) 2.799 6.996 ( -2.270 0.000 0.000) 2.270 7.075 ( 10.465 0.000 0.000) 10.465 7.098 ( 7.537 0.000 0.000) 7.537 7.160 ( 1.799 0.000 0.000) 1.799 7.270 ( -6.685 0.000 0.000) 6.685 7.325 ( 15.575 0.000 0.000) 15.575 7.379 ( 1.823 0.000 0.000) 1.823 7.393 ( 4.040 0.000 0.000) 4.040 7.489 ( 15.521 0.000 0.000) 15.521 7.583 ( 5.716 0.000 0.000) 5.716 7.701 ( -8.360 0.000 0.000) 8.360 8.005 ( 0.226 0.000 0.000) 0.226 8.010 ( -3.698 0.000 0.000) 3.698 8.056 ( -2.131 0.000 0.000) 2.131 8.085 ( -3.051 0.000 0.000) 3.051 8.118 ( 16.251 0.000 0.000) 16.251 8.224 ( 15.506 0.000 0.000) 15.506 8.284 ( -2.929 0.000 0.000) 2.929 8.421 ( -0.056 0.000 0.000) 0.056 8.487 ( 3.059 0.000 0.000) 3.059 8.646 ( -5.513 0.000 0.000) 5.513 8.713 ( -0.579 0.000 0.000) 0.579 8.764 ( 3.142 0.000 0.000) 3.142 8.880 ( 8.737 0.000 0.000) 8.737 8.899 ( -5.221 0.000 0.000) 5.221 8.972 ( 7.960 0.000 0.000) 7.960 9.065 ( -4.940 0.000 0.000) 4.940 9.098 ( -4.471 0.000 0.000) 4.471 9.160 ( -5.141 0.000 0.000) 5.141 9.410 ( -8.902 0.000 0.000) 8.902 9.442 ( 12.170 0.000 0.000) 12.170 9.536 ( -7.454 0.000 0.000) 7.454 9.546 ( 1.211 0.000 0.000) 1.211 9.682 ( 6.739 0.000 0.000) 6.739 9.820 ( 13.256 0.000 0.000) 13.256 9.833 ( -8.374 0.000 0.000) 8.374 10.043 ( -12.635 0.000 0.000) 12.635 10.092 ( 1.940 0.000 0.000) 1.940 10.316 ( 13.601 0.000 0.000) 13.601 10.472 ( 11.605 0.000 0.000) 11.605 10.577 ( 7.346 0.000 0.000) 7.346 10.885 ( 22.605 0.000 0.000) 22.605 11.065 ( -3.944 0.000 0.000) 3.944 11.365 ( 21.470 0.000 0.000) 21.470 11.444 ( -5.282 0.000 0.000) 5.282 11.673 ( 12.893 0.000 0.000) 12.893 11.711 ( -1.325 0.000 0.000) 1.325 11.785 ( 9.903 0.000 0.000) 9.903 11.827 ( -1.072 0.000 0.000) 1.072 11.988 ( -7.266 0.000 0.000) 7.266 12.021 ( 0.873 0.000 0.000) 0.873 12.286 ( 2.782 0.000 0.000) 2.782 12.332 ( 4.798 0.000 0.000) 4.798 12.588 ( 12.653 0.000 0.000) 12.653 12.703 ( 2.514 0.000 0.000) 2.514 12.832 ( 12.673 0.000 0.000) 12.673 12.834 ( 2.605 0.000 0.000) 2.605 12.927 ( 2.823 0.000 0.000) 2.823 13.058 ( -23.961 0.000 0.000) 23.961 13.220 ( -20.726 0.000 0.000) 20.726 13.506 ( 3.828 0.000 0.000) 3.828 13.971 ( 17.162 0.000 0.000) 17.162 14.043 ( 1.488 0.000 0.000) 1.488 14.217 ( -12.258 0.000 0.000) 12.258 14.246 ( -3.490 0.000 0.000) 3.490 14.346 ( 5.381 0.000 0.000) 5.381 14.410 ( 0.792 0.000 0.000) 0.792 14.662 ( -6.274 0.000 0.000) 6.274 14.873 ( -7.625 0.000 0.000) 7.625 14.946 ( -25.352 0.000 0.000) 25.352 15.124 ( -15.262 0.000 0.000) 15.262 15.165 ( -3.321 0.000 0.000) 3.321 15.222 ( -10.864 0.000 0.000) 10.864 15.296 ( -11.116 0.000 0.000) 11.116 15.399 ( -11.733 0.000 0.000) 11.733 15.539 ( -14.238 0.000 0.000) 14.238 15.774 ( -11.461 0.000 0.000) 11.461 15.779 ( -18.550 0.000 0.000) 18.550 15.837 ( -1.930 0.000 0.000) 1.930 15.917 ( -11.011 0.000 0.000) 11.011 16.097 ( -15.401 0.000 0.000) 15.401 16.150 ( -10.506 0.000 0.000) 10.506 16.389 ( 0.750 0.000 0.000) 0.750 16.445 ( 0.009 0.000 0.000) 0.009 16.589 ( 16.120 0.000 0.000) 16.120 16.848 ( 12.970 0.000 0.000) 12.970 17.022 ( 20.209 0.000 0.000) 20.209 17.403 ( -16.610 0.000 0.000) 16.610 17.663 ( 26.800 0.000 0.000) 26.800 17.787 ( 7.971 0.000 0.000) 7.971 18.189 ( 20.202 0.000 0.000) 20.202 18.418 ( -5.385 0.000 0.000) 5.385 18.880 ( -16.830 0.000 0.000) 16.830 19.121 ( 6.774 0.000 0.000) 6.774 19.541 ( -7.932 0.000 0.000) 7.932 19.736 ( -20.413 0.000 0.000) 20.413 19.928 ( -0.599 0.000 0.000) 0.599 20.029 ( 0.841 0.000 0.000) 0.841 20.090 ( -0.803 0.000 0.000) 0.803 20.131 ( -2.749 0.000 0.000) 2.749 20.397 ( 6.543 0.000 0.000) 6.543 20.690 ( 16.890 0.000 0.000) 16.890 20.739 ( 14.495 0.000 0.000) 14.495 20.752 ( 9.508 0.000 0.000) 9.508 20.929 ( -8.023 0.000 0.000) 8.023 21.056 ( -9.863 0.000 0.000) 9.863 21.393 ( 17.256 0.000 0.000) 17.256 21.404 ( 2.499 0.000 0.000) 2.499 21.817 ( 13.188 0.000 0.000) 13.188 22.333 ( 8.342 0.000 0.000) 8.342 22.377 ( -3.769 0.000 0.000) 3.769 22.407 ( 3.858 0.000 0.000) 3.858 22.496 ( 4.088 0.000 0.000) 4.088 22.574 ( 14.546 0.000 0.000) 14.546 25.461 ( 1.021 0.000 0.000) 1.021 25.473 ( 1.073 0.000 0.000) 1.073 25.652 ( -2.731 0.000 0.000) 2.731 25.711 ( 1.147 0.000 0.000) 1.147 25.729 ( -2.521 0.000 0.000) 2.521 25.799 ( -5.208 0.000 0.000) 5.208 25.909 ( -5.610 0.000 0.000) 5.610 25.946 ( -5.038 0.000 0.000) 5.038 26.437 ( 5.613 0.000 0.000) 5.613 26.598 ( 4.382 0.000 0.000) 4.382 26.690 ( 5.138 0.000 0.000) 5.138 26.764 ( 6.556 0.000 0.000) 6.556 26.774 ( 4.345 0.000 0.000) 4.345 26.844 ( 2.343 0.000 0.000) 2.343 26.857 ( 0.070 0.000 0.000) 0.070 27.075 ( -1.402 0.000 0.000) 1.402 27.833 ( 4.515 0.000 0.000) 4.515 27.883 ( -0.464 0.000 0.000) 0.464 28.019 ( 4.713 0.000 0.000) 4.713 28.153 ( 5.249 0.000 0.000) 5.249 28.174 ( 5.677 0.000 0.000) 5.677 28.222 ( -0.054 0.000 0.000) 0.054 28.419 ( 5.326 0.000 0.000) 5.326 28.863 ( -1.486 0.000 0.000) 1.486 29.090 ( -4.778 0.000 0.000) 4.778 29.110 ( 1.320 0.000 0.000) 1.320 29.132 ( -5.550 0.000 0.000) 5.550 29.191 ( -0.596 0.000 0.000) 0.596 29.254 ( -11.135 0.000 0.000) 11.135 29.707 ( -16.625 0.000 0.000) 16.625 29.720 ( -5.696 0.000 0.000) 5.696 29.874 ( -9.508 0.000 0.000) 9.508 ======================= Grid point 3 (4/36) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -25.662 0.000 0.000) 25.662 1.724 ( 0.663 0.000 0.000) 0.663 1.787 ( 0.580 0.000 0.000) 0.580 2.322 ( -17.635 0.000 0.000) 17.635 2.332 ( -19.386 0.000 0.000) 19.386 2.367 ( -9.946 0.000 0.000) 9.946 2.368 ( -13.900 0.000 0.000) 13.900 2.594 ( 7.362 0.000 0.000) 7.362 3.003 ( -10.419 0.000 0.000) 10.419 3.007 ( 18.569 0.000 0.000) 18.569 3.203 ( -5.728 0.000 0.000) 5.728 3.229 ( 5.403 0.000 0.000) 5.403 3.260 ( 11.115 0.000 0.000) 11.115 3.494 ( -0.560 0.000 0.000) 0.560 3.569 ( -1.583 0.000 0.000) 1.583 3.829 ( -6.860 0.000 0.000) 6.860 3.933 ( 4.791 0.000 0.000) 4.791 4.031 ( -15.987 0.000 0.000) 15.987 4.055 ( -5.297 0.000 0.000) 5.297 4.416 ( -17.568 0.000 0.000) 17.568 4.483 ( 15.802 0.000 0.000) 15.802 4.561 ( 2.246 0.000 0.000) 2.246 4.653 ( -9.713 0.000 0.000) 9.713 4.698 ( -20.589 0.000 0.000) 20.589 4.758 ( 8.954 0.000 0.000) 8.954 4.809 ( -13.463 0.000 0.000) 13.463 4.815 ( 1.856 0.000 0.000) 1.856 5.000 ( -8.663 0.000 0.000) 8.663 5.072 ( -1.448 0.000 0.000) 1.448 5.383 ( 15.346 0.000 0.000) 15.346 5.410 ( -13.306 0.000 0.000) 13.306 5.506 ( 8.523 0.000 0.000) 8.523 5.672 ( 12.409 0.000 0.000) 12.409 5.828 ( 5.745 0.000 0.000) 5.745 5.990 ( 7.188 0.000 0.000) 7.188 5.991 ( 4.214 0.000 0.000) 4.214 6.095 ( 10.091 0.000 0.000) 10.091 6.327 ( 10.388 0.000 0.000) 10.388 6.591 ( 3.460 0.000 0.000) 3.460 6.626 ( -8.094 0.000 0.000) 8.094 6.677 ( 1.407 0.000 0.000) 1.407 6.703 ( 6.099 0.000 0.000) 6.099 6.710 ( -10.151 0.000 0.000) 10.151 6.757 ( 11.126 0.000 0.000) 11.126 6.908 ( -12.533 0.000 0.000) 12.533 6.948 ( -1.579 0.000 0.000) 1.579 6.990 ( -2.341 0.000 0.000) 2.341 6.994 ( 3.707 0.000 0.000) 3.707 7.175 ( -1.902 0.000 0.000) 1.902 7.177 ( -2.512 0.000 0.000) 2.512 7.181 ( -3.209 0.000 0.000) 3.209 7.427 ( 1.210 0.000 0.000) 1.210 7.479 ( -2.881 0.000 0.000) 2.881 7.481 ( 8.826 0.000 0.000) 8.826 7.526 ( -8.823 0.000 0.000) 8.823 7.683 ( 1.131 0.000 0.000) 1.131 7.735 ( 1.885 0.000 0.000) 1.885 8.022 ( 1.586 0.000 0.000) 1.586 8.027 ( -0.863 0.000 0.000) 0.863 8.081 ( 4.661 0.000 0.000) 4.661 8.183 ( 14.558 0.000 0.000) 14.558 8.243 ( -0.911 0.000 0.000) 0.911 8.465 ( 5.163 0.000 0.000) 5.163 8.550 ( 13.171 0.000 0.000) 13.171 8.569 ( -2.044 0.000 0.000) 2.044 8.595 ( 9.180 0.000 0.000) 9.180 8.691 ( -1.440 0.000 0.000) 1.440 8.712 ( 37.699 0.000 0.000) 37.699 8.774 ( -4.197 0.000 0.000) 4.197 8.792 ( -10.517 0.000 0.000) 10.517 8.959 ( 18.262 0.000 0.000) 18.262 9.012 ( 0.900 0.000 0.000) 0.900 9.088 ( -1.487 0.000 0.000) 1.487 9.115 ( -1.235 0.000 0.000) 1.235 9.140 ( -13.131 0.000 0.000) 13.131 9.239 ( 18.073 0.000 0.000) 18.073 9.367 ( -10.211 0.000 0.000) 10.211 9.483 ( 0.978 0.000 0.000) 0.978 9.694 ( -4.362 0.000 0.000) 4.362 9.724 ( -8.974 0.000 0.000) 8.974 9.899 ( 15.647 0.000 0.000) 15.647 9.919 ( 13.464 0.000 0.000) 13.464 10.050 ( -5.016 0.000 0.000) 5.016 10.124 ( 17.602 0.000 0.000) 17.602 10.576 ( 12.357 0.000 0.000) 12.357 10.759 ( 12.450 0.000 0.000) 12.450 10.860 ( -16.253 0.000 0.000) 16.253 10.896 ( 29.278 0.000 0.000) 29.278 11.309 ( 19.965 0.000 0.000) 19.965 11.335 ( -5.696 0.000 0.000) 5.696 11.571 ( -18.591 0.000 0.000) 18.591 11.667 ( -3.396 0.000 0.000) 3.396 11.668 ( -3.746 0.000 0.000) 3.746 11.777 ( 18.628 0.000 0.000) 18.628 12.053 ( 2.055 0.000 0.000) 2.055 12.130 ( 15.232 0.000 0.000) 15.232 12.253 ( 24.767 0.000 0.000) 24.767 12.389 ( 9.092 0.000 0.000) 9.092 12.396 ( 0.223 0.000 0.000) 0.223 12.563 ( -24.066 0.000 0.000) 24.066 12.761 ( 4.322 0.000 0.000) 4.322 12.800 ( 8.736 0.000 0.000) 8.736 12.833 ( -19.411 0.000 0.000) 19.411 12.890 ( -6.493 0.000 0.000) 6.493 12.907 ( 3.930 0.000 0.000) 3.930 13.085 ( 11.994 0.000 0.000) 11.994 13.581 ( 4.542 0.000 0.000) 4.542 13.855 ( -24.367 0.000 0.000) 24.367 13.982 ( -6.260 0.000 0.000) 6.260 14.020 ( -20.587 0.000 0.000) 20.587 14.290 ( 13.959 0.000 0.000) 13.959 14.319 ( -9.330 0.000 0.000) 9.330 14.388 ( -30.676 0.000 0.000) 30.676 14.503 ( 8.786 0.000 0.000) 8.786 14.597 ( 0.092 0.000 0.000) 0.092 14.702 ( -8.265 0.000 0.000) 8.265 14.821 ( -12.897 0.000 0.000) 12.897 15.034 ( -10.041 0.000 0.000) 10.041 15.138 ( -5.274 0.000 0.000) 5.274 15.152 ( -20.189 0.000 0.000) 20.189 15.178 ( 2.932 0.000 0.000) 2.932 15.202 ( -8.178 0.000 0.000) 8.178 15.365 ( -21.576 0.000 0.000) 21.576 15.587 ( -8.947 0.000 0.000) 8.947 15.700 ( -10.515 0.000 0.000) 10.515 15.764 ( -5.062 0.000 0.000) 5.062 15.815 ( -11.965 0.000 0.000) 11.965 15.906 ( -11.346 0.000 0.000) 11.346 16.450 ( 0.700 0.000 0.000) 0.700 16.475 ( 4.354 0.000 0.000) 4.354 16.830 ( 8.415 0.000 0.000) 8.415 17.132 ( 15.820 0.000 0.000) 15.820 17.139 ( -9.841 0.000 0.000) 9.841 17.448 ( 22.231 0.000 0.000) 22.231 17.979 ( 11.341 0.000 0.000) 11.341 18.138 ( 17.962 0.000 0.000) 17.962 18.342 ( -2.770 0.000 0.000) 2.770 18.580 ( -11.266 0.000 0.000) 11.266 18.627 ( 23.568 0.000 0.000) 23.568 19.183 ( -3.071 0.000 0.000) 3.071 19.288 ( -23.053 0.000 0.000) 23.053 19.542 ( 9.092 0.000 0.000) 9.092 19.901 ( -3.564 0.000 0.000) 3.564 20.051 ( 0.258 0.000 0.000) 0.258 20.105 ( 2.559 0.000 0.000) 2.559 20.120 ( 1.233 0.000 0.000) 1.233 20.473 ( 1.893 0.000 0.000) 1.893 20.712 ( -10.439 0.000 0.000) 10.439 20.925 ( -3.011 0.000 0.000) 3.011 20.932 ( 8.388 0.000 0.000) 8.388 21.007 ( 12.000 0.000 0.000) 12.000 21.100 ( 20.363 0.000 0.000) 20.363 21.438 ( 1.110 0.000 0.000) 1.110 21.707 ( 14.481 0.000 0.000) 14.481 22.014 ( 6.062 0.000 0.000) 6.062 22.347 ( 1.243 0.000 0.000) 1.243 22.416 ( -0.066 0.000 0.000) 0.066 22.446 ( 0.360 0.000 0.000) 0.360 22.535 ( -0.072 0.000 0.000) 0.072 22.754 ( 3.700 0.000 0.000) 3.700 25.479 ( 0.836 0.000 0.000) 0.836 25.490 ( 0.734 0.000 0.000) 0.734 25.600 ( -2.506 0.000 0.000) 2.506 25.681 ( -2.123 0.000 0.000) 2.123 25.693 ( -5.398 0.000 0.000) 5.398 25.717 ( -0.312 0.000 0.000) 0.312 25.807 ( -4.468 0.000 0.000) 4.468 25.838 ( -5.661 0.000 0.000) 5.661 26.561 ( 6.739 0.000 0.000) 6.739 26.690 ( 4.699 0.000 0.000) 4.699 26.778 ( 3.569 0.000 0.000) 3.569 26.855 ( -0.291 0.000 0.000) 0.291 26.862 ( 4.307 0.000 0.000) 4.307 26.879 ( 4.760 0.000 0.000) 4.760 26.891 ( 2.305 0.000 0.000) 2.305 27.045 ( -1.590 0.000 0.000) 1.590 27.906 ( 2.779 0.000 0.000) 2.779 27.929 ( 5.155 0.000 0.000) 5.155 28.103 ( 3.127 0.000 0.000) 3.127 28.210 ( -1.439 0.000 0.000) 1.439 28.281 ( 8.058 0.000 0.000) 8.058 28.310 ( 8.220 0.000 0.000) 8.220 28.534 ( 6.215 0.000 0.000) 6.215 28.846 ( -0.285 0.000 0.000) 0.285 28.985 ( -6.363 0.000 0.000) 6.363 29.014 ( -5.676 0.000 0.000) 5.676 29.065 ( -8.211 0.000 0.000) 8.211 29.145 ( 2.420 0.000 0.000) 2.420 29.168 ( -3.106 0.000 0.000) 3.106 29.400 ( -12.672 0.000 0.000) 12.672 29.586 ( -7.402 0.000 0.000) 7.402 29.673 ( -10.522 0.000 0.000) 10.522 ======================= Grid point 4 (5/36) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 5.507 0.000 0.000) 5.507 1.634 ( -4.057 0.000 0.000) 4.057 1.726 ( -4.046 0.000 0.000) 4.046 1.945 ( -19.173 0.000 0.000) 19.173 2.099 ( -2.832 0.000 0.000) 2.832 2.114 ( -12.772 0.000 0.000) 12.772 2.210 ( -12.516 0.000 0.000) 12.516 2.646 ( 6.395 0.000 0.000) 6.395 2.996 ( -36.756 0.000 0.000) 36.756 3.071 ( -7.682 0.000 0.000) 7.682 3.162 ( 20.388 0.000 0.000) 20.388 3.208 ( -0.167 0.000 0.000) 0.167 3.290 ( 8.117 0.000 0.000) 8.117 3.404 ( -7.629 0.000 0.000) 7.629 3.573 ( 10.093 0.000 0.000) 10.093 3.716 ( -15.439 0.000 0.000) 15.439 3.749 ( -2.799 0.000 0.000) 2.799 4.014 ( 0.069 0.000 0.000) 0.069 4.014 ( 3.040 0.000 0.000) 3.040 4.334 ( -14.343 0.000 0.000) 14.343 4.398 ( -19.343 0.000 0.000) 19.343 4.448 ( 13.392 0.000 0.000) 13.392 4.474 ( -10.648 0.000 0.000) 10.648 4.641 ( -3.825 0.000 0.000) 3.825 4.721 ( -7.054 0.000 0.000) 7.054 4.813 ( -2.702 0.000 0.000) 2.702 4.828 ( -7.263 0.000 0.000) 7.263 4.842 ( 25.220 0.000 0.000) 25.220 4.908 ( -9.976 0.000 0.000) 9.976 5.309 ( 5.073 0.000 0.000) 5.073 5.585 ( 1.008 0.000 0.000) 1.008 5.593 ( 3.487 0.000 0.000) 3.487 5.924 ( 5.759 0.000 0.000) 5.759 5.944 ( 4.340 0.000 0.000) 4.340 6.012 ( -2.219 0.000 0.000) 2.219 6.159 ( -0.930 0.000 0.000) 0.930 6.399 ( -8.188 0.000 0.000) 8.188 6.417 ( 16.258 0.000 0.000) 16.258 6.444 ( -4.880 0.000 0.000) 4.880 6.550 ( 11.379 0.000 0.000) 11.379 6.706 ( 8.727 0.000 0.000) 8.727 6.748 ( -5.709 0.000 0.000) 5.709 6.768 ( 1.999 0.000 0.000) 1.999 6.855 ( -1.508 0.000 0.000) 1.508 6.867 ( 1.454 0.000 0.000) 1.454 6.927 ( -0.953 0.000 0.000) 0.953 7.031 ( 10.609 0.000 0.000) 10.609 7.053 ( 1.319 0.000 0.000) 1.319 7.128 ( -1.411 0.000 0.000) 1.411 7.169 ( -1.496 0.000 0.000) 1.496 7.195 ( 6.932 0.000 0.000) 6.932 7.396 ( -4.385 0.000 0.000) 4.385 7.417 ( 0.258 0.000 0.000) 0.258 7.428 ( 0.678 0.000 0.000) 0.678 7.480 ( -6.696 0.000 0.000) 6.696 7.611 ( -10.310 0.000 0.000) 10.310 7.840 ( 13.727 0.000 0.000) 13.727 8.048 ( 4.867 0.000 0.000) 4.867 8.090 ( 6.170 0.000 0.000) 6.170 8.129 ( -0.668 0.000 0.000) 0.668 8.240 ( 1.272 0.000 0.000) 1.272 8.416 ( 7.144 0.000 0.000) 7.144 8.440 ( -6.165 0.000 0.000) 6.165 8.552 ( -12.451 0.000 0.000) 12.451 8.562 ( 0.709 0.000 0.000) 0.709 8.638 ( 0.103 0.000 0.000) 0.103 8.682 ( -0.830 0.000 0.000) 0.830 8.690 ( -9.060 0.000 0.000) 9.060 8.831 ( 2.855 0.000 0.000) 2.855 8.911 ( 4.409 0.000 0.000) 4.409 9.018 ( -7.212 0.000 0.000) 7.212 9.050 ( -0.327 0.000 0.000) 0.327 9.146 ( -7.950 0.000 0.000) 7.950 9.273 ( 23.884 0.000 0.000) 23.884 9.327 ( -15.416 0.000 0.000) 15.416 9.346 ( 20.239 0.000 0.000) 20.239 9.561 ( 30.009 0.000 0.000) 30.009 9.638 ( -1.778 0.000 0.000) 1.778 9.647 ( 21.912 0.000 0.000) 21.912 9.666 ( 4.914 0.000 0.000) 4.914 9.930 ( -6.623 0.000 0.000) 6.623 10.213 ( 16.602 0.000 0.000) 16.602 10.285 ( 15.953 0.000 0.000) 15.953 10.459 ( -20.054 0.000 0.000) 20.054 10.495 ( 18.233 0.000 0.000) 18.233 10.773 ( 7.137 0.000 0.000) 7.137 11.023 ( 12.653 0.000 0.000) 12.653 11.180 ( -19.301 0.000 0.000) 19.301 11.217 ( -7.258 0.000 0.000) 7.258 11.545 ( -9.088 0.000 0.000) 9.088 11.576 ( 38.035 0.000 0.000) 38.035 11.606 ( -0.888 0.000 0.000) 0.888 11.638 ( 12.294 0.000 0.000) 12.294 11.895 ( -8.254 0.000 0.000) 8.254 12.032 ( -6.360 0.000 0.000) 6.360 12.320 ( -3.237 0.000 0.000) 3.237 12.324 ( -6.655 0.000 0.000) 6.655 12.494 ( 20.873 0.000 0.000) 20.873 12.494 ( -7.364 0.000 0.000) 7.364 12.650 ( 14.131 0.000 0.000) 14.131 12.668 ( 18.933 0.000 0.000) 18.933 12.737 ( -6.043 0.000 0.000) 6.043 12.852 ( -7.749 0.000 0.000) 7.749 12.894 ( 8.458 0.000 0.000) 8.458 12.959 ( 1.111 0.000 0.000) 1.111 13.210 ( -10.193 0.000 0.000) 10.193 13.422 ( -3.983 0.000 0.000) 3.983 13.537 ( -25.079 0.000 0.000) 25.079 13.695 ( 7.140 0.000 0.000) 7.140 13.770 ( -31.865 0.000 0.000) 31.865 13.819 ( -10.129 0.000 0.000) 10.129 14.109 ( -12.171 0.000 0.000) 12.171 14.460 ( 2.153 0.000 0.000) 2.153 14.500 ( -7.322 0.000 0.000) 7.322 14.566 ( -4.750 0.000 0.000) 4.750 14.670 ( 7.694 0.000 0.000) 7.694 14.704 ( -15.770 0.000 0.000) 15.770 14.772 ( 5.432 0.000 0.000) 5.432 14.956 ( -6.392 0.000 0.000) 6.392 15.000 ( -9.346 0.000 0.000) 9.346 15.074 ( -5.127 0.000 0.000) 5.127 15.078 ( -5.646 0.000 0.000) 5.646 15.250 ( 4.029 0.000 0.000) 4.029 15.424 ( -6.683 0.000 0.000) 6.683 15.554 ( -3.177 0.000 0.000) 3.177 15.650 ( -5.232 0.000 0.000) 5.232 15.662 ( -4.686 0.000 0.000) 4.686 15.715 ( -8.376 0.000 0.000) 8.376 16.475 ( 1.744 0.000 0.000) 1.744 16.524 ( 0.674 0.000 0.000) 0.674 16.933 ( 2.783 0.000 0.000) 2.783 17.010 ( -3.833 0.000 0.000) 3.833 17.457 ( 17.047 0.000 0.000) 17.047 17.858 ( 18.871 0.000 0.000) 18.871 18.113 ( -14.583 0.000 0.000) 14.583 18.217 ( 12.828 0.000 0.000) 12.828 18.285 ( -3.851 0.000 0.000) 3.851 18.666 ( 13.886 0.000 0.000) 13.886 18.860 ( -20.468 0.000 0.000) 20.468 19.071 ( -7.143 0.000 0.000) 7.143 19.081 ( 22.101 0.000 0.000) 22.101 19.758 ( -11.109 0.000 0.000) 11.109 19.760 ( 10.378 0.000 0.000) 10.378 20.015 ( -3.733 0.000 0.000) 3.733 20.184 ( 5.199 0.000 0.000) 5.199 20.200 ( 7.138 0.000 0.000) 7.138 20.470 ( -2.855 0.000 0.000) 2.855 20.502 ( -10.374 0.000 0.000) 10.374 20.942 ( 4.209 0.000 0.000) 4.209 21.050 ( 2.932 0.000 0.000) 2.932 21.198 ( 7.615 0.000 0.000) 7.615 21.361 ( 0.920 0.000 0.000) 0.920 21.567 ( 16.459 0.000 0.000) 16.459 21.965 ( 12.123 0.000 0.000) 12.123 22.039 ( -3.591 0.000 0.000) 3.591 22.350 ( -6.123 0.000 0.000) 6.123 22.429 ( 6.769 0.000 0.000) 6.769 22.439 ( -0.498 0.000 0.000) 0.498 22.498 ( -3.103 0.000 0.000) 3.103 22.733 ( -5.140 0.000 0.000) 5.140 25.497 ( 1.201 0.000 0.000) 1.201 25.504 ( 0.766 0.000 0.000) 0.766 25.556 ( -1.962 0.000 0.000) 1.962 25.597 ( -4.192 0.000 0.000) 4.192 25.655 ( -0.351 0.000 0.000) 0.351 25.708 ( -0.438 0.000 0.000) 0.438 25.737 ( -4.432 0.000 0.000) 4.432 25.739 ( -2.480 0.000 0.000) 2.480 26.688 ( 5.901 0.000 0.000) 5.901 26.772 ( 3.546 0.000 0.000) 3.546 26.825 ( 1.150 0.000 0.000) 1.150 26.839 ( -1.641 0.000 0.000) 1.641 26.931 ( 1.670 0.000 0.000) 1.670 26.935 ( 3.057 0.000 0.000) 3.057 26.943 ( 1.733 0.000 0.000) 1.733 27.014 ( -1.559 0.000 0.000) 1.559 27.984 ( 4.782 0.000 0.000) 4.782 28.027 ( 4.590 0.000 0.000) 4.590 28.131 ( -0.134 0.000 0.000) 0.134 28.162 ( -3.398 0.000 0.000) 3.398 28.460 ( 9.810 0.000 0.000) 9.810 28.492 ( 10.129 0.000 0.000) 10.129 28.653 ( 5.588 0.000 0.000) 5.588 28.833 ( -8.681 0.000 0.000) 8.681 28.851 ( 0.813 0.000 0.000) 0.813 28.926 ( -6.097 0.000 0.000) 6.097 28.928 ( -3.355 0.000 0.000) 3.355 28.997 ( -12.170 0.000 0.000) 12.170 29.210 ( 4.352 0.000 0.000) 4.352 29.301 ( 0.732 0.000 0.000) 0.732 29.450 ( -6.113 0.000 0.000) 6.113 29.477 ( -9.223 0.000 0.000) 9.223 ======================= Grid point 5 (6/36) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -20.961 0.000 0.000) 20.961 1.563 ( 20.961 0.000 0.000) 20.961 1.661 ( -4.602 0.000 0.000) 4.602 1.661 ( 4.602 0.000 0.000) 4.602 1.979 ( -4.398 0.000 0.000) 4.398 1.979 ( 4.398 0.000 0.000) 4.398 2.306 ( -25.833 0.000 0.000) 25.833 2.306 ( 25.833 0.000 0.000) 25.833 2.876 ( -12.552 0.000 0.000) 12.552 2.876 ( 12.552 0.000 0.000) 12.552 3.253 ( -5.985 0.000 0.000) 5.985 3.253 ( 5.985 0.000 0.000) 5.985 3.455 ( -10.464 0.000 0.000) 10.464 3.455 ( 10.464 0.000 0.000) 10.464 3.560 ( -17.552 0.000 0.000) 17.552 3.560 ( 17.552 0.000 0.000) 17.552 3.941 ( -23.826 0.000 0.000) 23.826 3.941 ( 23.826 0.000 0.000) 23.826 4.035 ( -0.810 0.000 0.000) 0.810 4.035 ( 0.810 0.000 0.000) 0.810 4.262 ( -7.308 0.000 0.000) 7.308 4.262 ( 7.308 0.000 0.000) 7.308 4.624 ( -2.152 0.000 0.000) 2.152 4.624 ( 2.152 0.000 0.000) 2.152 4.693 ( -11.853 0.000 0.000) 11.853 4.693 ( 11.853 0.000 0.000) 11.853 4.760 ( -0.500 0.000 0.000) 0.500 4.760 ( 0.500 0.000 0.000) 0.500 5.390 ( -23.804 0.000 0.000) 23.804 5.390 ( 23.804 0.000 0.000) 23.804 5.513 ( -10.288 0.000 0.000) 10.288 5.513 ( 10.288 0.000 0.000) 10.288 5.968 ( -1.343 0.000 0.000) 1.343 5.968 ( 1.343 0.000 0.000) 1.343 5.982 ( -3.476 0.000 0.000) 3.476 5.982 ( 3.476 0.000 0.000) 3.476 6.420 ( -0.035 0.000 0.000) 0.035 6.420 ( 0.035 0.000 0.000) 0.035 6.682 ( -7.638 0.000 0.000) 7.638 6.682 ( 7.638 0.000 0.000) 7.638 6.730 ( -3.684 0.000 0.000) 3.684 6.730 ( 3.684 0.000 0.000) 3.684 6.761 ( -1.618 0.000 0.000) 1.618 6.761 ( 1.618 0.000 0.000) 1.618 6.904 ( -2.835 0.000 0.000) 2.835 6.904 ( 2.835 0.000 0.000) 2.835 7.101 ( -2.414 0.000 0.000) 2.414 7.101 ( 2.414 0.000 0.000) 2.414 7.127 ( -1.207 0.000 0.000) 1.207 7.127 ( 1.207 0.000 0.000) 1.207 7.342 ( -2.539 0.000 0.000) 2.539 7.342 ( 2.539 0.000 0.000) 2.539 7.414 ( -6.304 0.000 0.000) 6.304 7.414 ( 6.304 0.000 0.000) 6.304 7.464 ( -0.423 0.000 0.000) 0.423 7.464 ( 0.423 0.000 0.000) 0.423 8.063 ( -6.863 0.000 0.000) 6.863 8.063 ( 6.863 0.000 0.000) 6.863 8.252 ( -0.862 0.000 0.000) 0.862 8.252 ( 0.862 0.000 0.000) 0.862 8.284 ( -4.394 0.000 0.000) 4.394 8.284 ( 4.394 0.000 0.000) 4.394 8.351 ( -10.719 0.000 0.000) 10.719 8.351 ( 10.719 0.000 0.000) 10.719 8.567 ( -0.212 0.000 0.000) 0.212 8.567 ( 0.212 0.000 0.000) 0.212 8.669 ( -1.341 0.000 0.000) 1.341 8.669 ( 1.341 0.000 0.000) 1.341 8.878 ( -4.864 0.000 0.000) 4.864 8.878 ( 4.864 0.000 0.000) 4.864 9.023 ( -3.187 0.000 0.000) 3.187 9.023 ( 3.187 0.000 0.000) 3.187 9.099 ( -5.281 0.000 0.000) 5.281 9.099 ( 5.281 0.000 0.000) 5.281 9.575 ( -5.648 0.000 0.000) 5.648 9.575 ( 5.648 0.000 0.000) 5.648 9.761 ( -2.385 0.000 0.000) 2.385 9.761 ( 2.385 0.000 0.000) 2.385 9.888 ( -21.998 0.000 0.000) 21.998 9.888 ( 21.998 0.000 0.000) 21.998 9.905 ( -0.721 0.000 0.000) 0.721 9.905 ( 0.721 0.000 0.000) 0.721 10.543 ( -14.197 0.000 0.000) 14.197 10.543 ( 14.197 0.000 0.000) 14.197 10.740 ( -21.765 0.000 0.000) 21.765 10.740 ( 21.765 0.000 0.000) 21.765 10.994 ( -15.437 0.000 0.000) 15.437 10.994 ( 15.437 0.000 0.000) 15.437 11.319 ( -13.441 0.000 0.000) 13.441 11.319 ( 13.441 0.000 0.000) 13.441 11.690 ( -6.242 0.000 0.000) 6.242 11.690 ( 6.242 0.000 0.000) 6.242 11.858 ( -6.233 0.000 0.000) 6.233 11.858 ( 6.233 0.000 0.000) 6.233 12.198 ( -2.477 0.000 0.000) 2.477 12.198 ( 2.477 0.000 0.000) 2.477 12.323 ( -36.200 0.000 0.000) 36.200 12.323 ( 36.200 0.000 0.000) 36.200 12.624 ( -8.012 0.000 0.000) 8.012 12.624 ( 8.012 0.000 0.000) 8.012 12.850 ( -3.990 0.000 0.000) 3.990 12.850 ( 3.990 0.000 0.000) 3.990 12.919 ( -9.069 0.000 0.000) 9.069 12.919 ( 9.069 0.000 0.000) 9.069 13.124 ( -16.162 0.000 0.000) 16.162 13.124 ( 16.162 0.000 0.000) 16.162 13.171 ( -27.260 0.000 0.000) 27.260 13.171 ( 27.260 0.000 0.000) 27.260 13.597 ( -12.022 0.000 0.000) 12.022 13.597 ( 12.022 0.000 0.000) 12.022 13.871 ( -11.023 0.000 0.000) 11.023 13.871 ( 11.023 0.000 0.000) 11.023 14.435 ( -0.873 0.000 0.000) 0.873 14.435 ( 0.873 0.000 0.000) 0.873 14.530 ( -2.314 0.000 0.000) 2.314 14.530 ( 2.315 0.000 0.000) 2.315 14.819 ( -7.460 0.000 0.000) 7.460 14.819 ( 7.460 0.000 0.000) 7.460 14.898 ( -5.514 0.000 0.000) 5.514 14.898 ( 5.514 0.000 0.000) 5.514 15.006 ( -0.535 0.000 0.000) 0.535 15.006 ( 0.535 0.000 0.000) 0.535 15.328 ( -3.967 0.000 0.000) 3.967 15.328 ( 3.967 0.000 0.000) 3.967 15.580 ( -4.972 0.000 0.000) 4.972 15.580 ( 4.972 0.000 0.000) 4.972 15.605 ( -0.633 0.000 0.000) 0.633 15.605 ( 0.633 0.000 0.000) 0.633 16.511 ( -1.615 0.000 0.000) 1.615 16.511 ( 1.615 0.000 0.000) 1.615 16.966 ( -1.303 0.000 0.000) 1.303 16.966 ( 1.303 0.000 0.000) 1.303 17.793 ( -17.103 0.000 0.000) 17.103 17.793 ( 17.103 0.000 0.000) 17.103 18.154 ( -10.566 0.000 0.000) 10.566 18.154 ( 10.566 0.000 0.000) 10.566 18.496 ( -16.341 0.000 0.000) 16.341 18.496 ( 16.341 0.000 0.000) 16.341 18.906 ( -10.072 0.000 0.000) 10.072 18.906 ( 10.072 0.000 0.000) 10.072 19.474 ( -17.632 0.000 0.000) 17.632 19.474 ( 17.632 0.000 0.000) 17.632 19.918 ( -6.167 0.000 0.000) 6.167 19.918 ( 6.167 0.000 0.000) 6.167 20.318 ( -8.280 0.000 0.000) 8.280 20.318 ( 8.280 0.000 0.000) 8.280 20.359 ( -7.895 0.000 0.000) 7.895 20.359 ( 7.895 0.000 0.000) 7.895 21.037 ( -3.870 0.000 0.000) 3.870 21.037 ( 3.870 0.000 0.000) 3.870 21.313 ( -4.308 0.000 0.000) 4.308 21.313 ( 4.308 0.000 0.000) 4.308 21.876 ( -12.788 0.000 0.000) 12.788 21.876 ( 12.788 0.000 0.000) 12.788 22.187 ( -10.259 0.000 0.000) 10.259 22.187 ( 10.259 0.000 0.000) 10.259 22.447 ( -1.572 0.000 0.000) 1.572 22.447 ( 1.572 0.000 0.000) 1.572 22.588 ( -8.672 0.000 0.000) 8.672 22.588 ( 8.672 0.000 0.000) 8.672 25.524 ( -1.279 0.000 0.000) 1.279 25.524 ( 1.279 0.000 0.000) 1.279 25.532 ( -2.469 0.000 0.000) 2.469 25.532 ( 2.469 0.000 0.000) 2.469 25.671 ( -2.115 0.000 0.000) 2.115 25.671 ( 2.115 0.000 0.000) 2.115 25.708 ( -0.675 0.000 0.000) 0.675 25.708 ( 0.675 0.000 0.000) 0.675 26.785 ( -3.895 0.000 0.000) 3.895 26.785 ( 3.895 0.000 0.000) 3.895 26.822 ( -1.415 0.000 0.000) 1.415 26.822 ( 1.415 0.000 0.000) 1.415 26.953 ( -0.486 0.000 0.000) 0.486 26.953 ( 0.486 0.000 0.000) 0.486 26.982 ( -1.871 0.000 0.000) 1.871 26.982 ( 1.871 0.000 0.000) 1.871 28.080 ( -4.789 0.000 0.000) 4.789 28.080 ( 4.789 0.000 0.000) 4.789 28.101 ( -2.824 0.000 0.000) 2.824 28.101 ( 2.824 0.000 0.000) 2.824 28.653 ( -9.662 0.000 0.000) 9.662 28.653 ( 9.662 0.000 0.000) 9.662 28.683 ( -6.881 0.000 0.000) 6.881 28.683 ( 6.881 0.000 0.000) 6.881 28.837 ( -0.714 0.000 0.000) 0.714 28.837 ( 0.714 0.000 0.000) 0.714 28.877 ( -1.888 0.000 0.000) 1.888 28.877 ( 1.888 0.000 0.000) 1.888 29.319 ( -6.811 0.000 0.000) 6.811 29.319 ( 6.811 0.000 0.000) 6.811 29.352 ( -3.915 0.000 0.000) 3.915 29.352 ( 3.915 0.000 0.000) 3.915 ======================= Grid point 11 (7/36) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.000 37.569 0.000) 37.569 1.192 ( 0.000 59.085 0.000) 59.085 1.698 ( 0.000 82.986 0.000) 82.986 1.711 ( 0.000 18.209 0.000) 18.209 2.517 ( 0.000 -16.603 0.000) 16.603 2.954 ( 0.000 3.422 0.000) 3.422 2.976 ( 0.000 -0.435 0.000) 0.435 3.018 ( 0.000 -1.051 0.000) 1.051 3.020 ( 0.000 -7.653 0.000) 7.653 3.051 ( 0.000 13.239 0.000) 13.239 3.240 ( 0.000 -7.021 0.000) 7.021 3.303 ( 0.000 0.806 0.000) 0.806 3.340 ( 0.000 0.783 0.000) 0.783 3.356 ( 0.000 -6.910 0.000) 6.910 3.496 ( 0.000 4.259 0.000) 4.259 3.520 ( 0.000 -9.312 0.000) 9.312 3.817 ( 0.000 -5.968 0.000) 5.968 4.122 ( 0.000 5.254 0.000) 5.254 4.199 ( 0.000 7.870 0.000) 7.870 4.245 ( 0.000 4.206 0.000) 4.206 4.396 ( 0.000 5.304 0.000) 5.304 4.435 ( 0.000 8.487 0.000) 8.487 4.809 ( 0.000 -25.323 0.000) 25.323 4.893 ( 0.000 -10.707 0.000) 10.707 4.944 ( 0.000 -4.825 0.000) 4.825 5.005 ( 0.000 -18.128 0.000) 18.128 5.009 ( 0.000 -10.038 0.000) 10.038 5.092 ( 0.000 9.579 0.000) 9.579 5.123 ( 0.000 -23.628 0.000) 23.628 5.138 ( 0.000 -7.442 0.000) 7.442 5.487 ( 0.000 3.229 0.000) 3.229 5.611 ( 0.000 8.202 0.000) 8.202 5.636 ( 0.000 -4.132 0.000) 4.132 5.822 ( 0.000 0.985 0.000) 0.985 6.045 ( 0.000 -0.173 0.000) 0.173 6.110 ( 0.000 11.857 0.000) 11.857 6.111 ( 0.000 19.404 0.000) 19.404 6.189 ( 0.000 -12.409 0.000) 12.409 6.331 ( 0.000 22.038 0.000) 22.038 6.405 ( 0.000 12.751 0.000) 12.751 6.432 ( 0.000 0.280 0.000) 0.280 6.656 ( 0.000 -13.590 0.000) 13.590 6.818 ( 0.000 4.146 0.000) 4.146 6.858 ( 0.000 0.539 0.000) 0.539 6.894 ( 0.000 1.160 0.000) 1.160 7.022 ( 0.000 11.936 0.000) 11.936 7.064 ( 0.000 6.338 0.000) 6.338 7.111 ( 0.000 5.512 0.000) 5.512 7.136 ( 0.000 -10.480 0.000) 10.480 7.202 ( 0.000 3.924 0.000) 3.924 7.264 ( 0.000 -2.287 0.000) 2.287 7.303 ( 0.000 7.264 0.000) 7.264 7.338 ( 0.000 11.806 0.000) 11.806 7.456 ( 0.000 -3.660 0.000) 3.660 7.475 ( 0.000 -3.155 0.000) 3.155 7.550 ( 0.000 -12.996 0.000) 12.996 7.859 ( 0.000 2.656 0.000) 2.656 7.930 ( 0.000 -0.706 0.000) 0.706 7.951 ( 0.000 -0.592 0.000) 0.592 8.008 ( 0.000 -1.379 0.000) 1.379 8.051 ( 0.000 0.360 0.000) 0.360 8.123 ( 0.000 -3.619 0.000) 3.619 8.172 ( 0.000 -2.426 0.000) 2.426 8.236 ( 0.000 -1.356 0.000) 1.356 8.333 ( 0.000 -4.692 0.000) 4.692 8.484 ( 0.000 5.470 0.000) 5.470 8.588 ( 0.000 12.655 0.000) 12.655 8.659 ( 0.000 -5.984 0.000) 5.984 8.688 ( 0.000 1.932 0.000) 1.932 8.731 ( 0.000 -7.345 0.000) 7.345 8.882 ( 0.000 -9.053 0.000) 9.053 8.926 ( 0.000 5.617 0.000) 5.617 9.016 ( 0.000 -5.391 0.000) 5.391 9.085 ( 0.000 -21.377 0.000) 21.377 9.175 ( 0.000 1.309 0.000) 1.309 9.328 ( 0.000 1.627 0.000) 1.627 9.452 ( 0.000 15.114 0.000) 15.114 9.592 ( 0.000 2.273 0.000) 2.273 9.595 ( 0.000 -8.392 0.000) 8.392 9.827 ( 0.000 6.080 0.000) 6.080 9.925 ( 0.000 -9.793 0.000) 9.793 9.941 ( 0.000 7.636 0.000) 7.636 9.966 ( 0.000 -32.679 0.000) 32.679 10.056 ( 0.000 9.045 0.000) 9.045 10.243 ( 0.000 0.877 0.000) 0.877 10.246 ( 0.000 1.203 0.000) 1.203 10.441 ( 0.000 -2.974 0.000) 2.974 10.490 ( 0.000 -3.549 0.000) 3.549 10.622 ( 0.000 23.244 0.000) 23.244 10.707 ( 0.000 -9.738 0.000) 9.738 11.078 ( 0.000 -32.077 0.000) 32.077 11.572 ( 0.000 -2.047 0.000) 2.047 11.755 ( 0.000 -4.585 0.000) 4.585 11.770 ( 0.000 -1.801 0.000) 1.801 11.819 ( 0.000 4.108 0.000) 4.108 11.946 ( 0.000 0.078 0.000) 0.078 12.116 ( 0.000 1.272 0.000) 1.272 12.190 ( 0.000 6.032 0.000) 6.032 12.424 ( 0.000 -2.224 0.000) 2.224 12.520 ( 0.000 -4.245 0.000) 4.245 12.583 ( 0.000 14.569 0.000) 14.569 12.693 ( 0.000 -1.086 0.000) 1.086 12.702 ( 0.000 7.989 0.000) 7.989 12.746 ( 0.000 8.037 0.000) 8.037 13.331 ( 0.000 -5.632 0.000) 5.632 13.653 ( 0.000 -12.738 0.000) 12.738 13.768 ( 0.000 11.620 0.000) 11.620 13.798 ( 0.000 24.859 0.000) 24.859 13.996 ( 0.000 4.758 0.000) 4.758 14.264 ( 0.000 -2.482 0.000) 2.482 14.372 ( 0.000 2.010 0.000) 2.010 14.425 ( 0.000 9.372 0.000) 9.372 14.525 ( 0.000 12.100 0.000) 12.100 14.859 ( 0.000 10.817 0.000) 10.817 14.951 ( 0.000 0.846 0.000) 0.846 15.101 ( 0.000 1.798 0.000) 1.798 15.444 ( 0.000 -12.154 0.000) 12.154 15.545 ( 0.000 2.729 0.000) 2.729 15.558 ( 0.000 -10.580 0.000) 10.580 15.590 ( 0.000 -3.310 0.000) 3.310 15.677 ( 0.000 -5.729 0.000) 5.729 15.725 ( 0.000 -9.317 0.000) 9.317 15.877 ( 0.000 -4.287 0.000) 4.287 15.948 ( 0.000 -3.014 0.000) 3.014 16.024 ( 0.000 0.206 0.000) 0.206 16.146 ( 0.000 1.421 0.000) 1.421 16.241 ( 0.000 -1.740 0.000) 1.740 16.416 ( 0.000 -4.145 0.000) 4.145 16.451 ( 0.000 -2.096 0.000) 2.096 16.470 ( 0.000 -0.374 0.000) 0.374 16.548 ( 0.000 0.153 0.000) 0.153 16.659 ( 0.000 5.076 0.000) 5.076 16.767 ( 0.000 -4.151 0.000) 4.151 16.935 ( 0.000 -2.364 0.000) 2.364 17.078 ( 0.000 5.978 0.000) 5.978 17.661 ( 0.000 -9.105 0.000) 9.105 17.969 ( 0.000 6.567 0.000) 6.567 18.555 ( 0.000 -7.279 0.000) 7.279 19.118 ( 0.000 6.557 0.000) 6.557 19.454 ( 0.000 2.988 0.000) 2.988 19.806 ( 0.000 -5.458 0.000) 5.458 19.832 ( 0.000 -0.707 0.000) 0.707 19.953 ( 0.000 -10.251 0.000) 10.251 20.025 ( 0.000 -8.229 0.000) 8.229 20.123 ( 0.000 0.238 0.000) 0.238 20.255 ( 0.000 -5.628 0.000) 5.628 20.272 ( 0.000 -1.751 0.000) 1.751 20.371 ( 0.000 -4.175 0.000) 4.175 20.466 ( 0.000 6.416 0.000) 6.416 20.644 ( 0.000 2.578 0.000) 2.578 20.998 ( 0.000 4.916 0.000) 4.916 21.025 ( 0.000 2.756 0.000) 2.756 21.369 ( 0.000 -4.483 0.000) 4.483 21.452 ( 0.000 -5.653 0.000) 5.653 21.539 ( 0.000 15.348 0.000) 15.348 22.001 ( 0.000 5.762 0.000) 5.762 22.104 ( 0.000 8.965 0.000) 8.965 22.210 ( 0.000 -4.421 0.000) 4.421 22.246 ( 0.000 0.155 0.000) 0.155 22.336 ( 0.000 1.764 0.000) 1.764 25.444 ( 0.000 1.195 0.000) 1.195 25.477 ( 0.000 3.493 0.000) 3.493 25.604 ( 0.000 -3.417 0.000) 3.417 25.758 ( 0.000 -4.758 0.000) 4.758 25.760 ( 0.000 2.580 0.000) 2.580 25.805 ( 0.000 1.496 0.000) 1.496 26.010 ( 0.000 5.931 0.000) 5.931 26.310 ( 0.000 -1.930 0.000) 1.930 26.472 ( 0.000 0.069 0.000) 0.069 26.478 ( 0.000 -0.071 0.000) 0.071 26.514 ( 0.000 1.394 0.000) 1.394 26.560 ( 0.000 0.343 0.000) 0.343 26.651 ( 0.000 -2.234 0.000) 2.234 26.761 ( 0.000 -2.937 0.000) 2.937 26.892 ( 0.000 3.562 0.000) 3.562 27.092 ( 0.000 -1.484 0.000) 1.484 27.339 ( 0.000 3.814 0.000) 3.814 27.751 ( 0.000 -8.958 0.000) 8.958 27.929 ( 0.000 -0.085 0.000) 0.085 27.992 ( 0.000 -2.540 0.000) 2.540 28.174 ( 0.000 12.983 0.000) 12.983 28.267 ( 0.000 2.960 0.000) 2.960 28.305 ( 0.000 1.368 0.000) 1.368 28.913 ( 0.000 -0.187 0.000) 0.187 29.026 ( 0.000 -3.861 0.000) 3.861 29.062 ( 0.000 -13.468 0.000) 13.468 29.299 ( 0.000 7.536 0.000) 7.536 29.458 ( 0.000 6.013 0.000) 6.013 29.700 ( 0.000 -2.090 0.000) 2.090 29.885 ( 0.000 2.067 0.000) 2.067 30.005 ( 0.000 -10.615 0.000) 10.615 30.094 ( 0.000 -3.046 0.000) 3.046 ======================= Grid point 12 (8/36) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 37.054 34.109 0.000) 50.363 1.544 ( 22.553 29.358 0.000) 37.021 1.820 ( 17.780 27.353 0.000) 32.624 2.016 ( 38.345 52.827 0.000) 65.276 2.639 ( -21.370 0.797 0.000) 21.385 2.843 ( 7.286 -8.800 0.000) 11.424 2.867 ( -10.834 -7.303 0.000) 13.066 2.915 ( 13.799 -8.181 0.000) 16.042 2.982 ( -0.704 -0.530 0.000) 0.882 3.120 ( -8.787 6.135 0.000) 10.717 3.147 ( 1.896 8.143 0.000) 8.361 3.150 ( -26.613 1.410 0.000) 26.651 3.275 ( -3.209 -5.877 0.000) 6.696 3.387 ( -4.217 -7.224 0.000) 8.365 3.457 ( -3.075 -0.327 0.000) 3.093 3.485 ( -0.593 -11.928 0.000) 11.942 3.754 ( 19.403 2.066 0.000) 19.512 4.015 ( -2.885 10.082 0.000) 10.487 4.165 ( -22.518 6.583 0.000) 23.460 4.319 ( 12.707 13.172 0.000) 18.302 4.481 ( 11.482 2.153 0.000) 11.682 4.593 ( 3.188 5.233 0.000) 6.128 4.690 ( -3.348 -16.906 0.000) 17.234 4.755 ( -10.859 -5.108 0.000) 12.000 4.792 ( -7.625 -12.415 0.000) 14.569 4.937 ( -4.828 2.560 0.000) 5.465 5.122 ( 2.402 -7.792 0.000) 8.154 5.128 ( 3.716 -11.015 0.000) 11.625 5.181 ( 7.088 2.683 0.000) 7.579 5.265 ( 9.734 -17.716 0.000) 20.214 5.456 ( -8.566 5.946 0.000) 10.427 5.593 ( 12.560 -0.760 0.000) 12.583 5.640 ( -8.450 3.553 0.000) 9.167 5.923 ( -0.968 1.949 0.000) 2.176 6.023 ( 0.889 -6.267 0.000) 6.330 6.104 ( -5.055 7.719 0.000) 9.227 6.114 ( 0.309 -1.098 0.000) 1.141 6.269 ( 3.997 -8.650 0.000) 9.529 6.345 ( -2.972 5.578 0.000) 6.320 6.346 ( 9.346 1.250 0.000) 9.429 6.443 ( -31.307 -0.218 0.000) 31.307 6.647 ( 12.245 11.175 0.000) 16.577 6.750 ( 5.983 -5.862 0.000) 8.376 6.867 ( -4.834 1.430 0.000) 5.041 6.872 ( 8.196 5.066 0.000) 9.635 6.977 ( 6.692 1.008 0.000) 6.767 6.989 ( -4.740 11.072 0.000) 12.044 7.123 ( -0.952 -4.466 0.000) 4.566 7.148 ( 2.155 7.332 0.000) 7.643 7.177 ( -4.605 2.955 0.000) 5.471 7.273 ( 1.949 6.094 0.000) 6.398 7.282 ( 4.125 4.442 0.000) 6.062 7.436 ( -2.078 -0.651 0.000) 2.178 7.447 ( -1.782 -1.278 0.000) 2.193 7.487 ( 10.910 9.703 0.000) 14.600 7.576 ( -3.354 8.883 0.000) 9.495 7.845 ( -3.911 0.092 0.000) 3.912 7.878 ( -0.426 -7.518 0.000) 7.530 7.962 ( 4.403 -5.670 0.000) 7.179 7.972 ( -5.523 -1.124 0.000) 5.636 8.110 ( -0.311 0.972 0.000) 1.021 8.184 ( -4.421 3.410 0.000) 5.583 8.224 ( -2.395 -2.441 0.000) 3.419 8.281 ( 3.129 1.955 0.000) 3.690 8.429 ( 15.273 -7.410 0.000) 16.976 8.457 ( -3.809 3.495 0.000) 5.170 8.572 ( 2.478 5.194 0.000) 5.754 8.642 ( -2.013 -10.009 0.000) 10.210 8.655 ( -5.231 -8.804 0.000) 10.241 8.677 ( -1.616 -2.418 0.000) 2.908 8.889 ( 0.749 -10.570 0.000) 10.597 8.952 ( 4.716 10.898 0.000) 11.875 8.984 ( -6.274 -15.663 0.000) 16.872 9.108 ( 3.699 -7.048 0.000) 7.960 9.179 ( 0.489 -1.366 0.000) 1.451 9.363 ( 7.380 -1.065 0.000) 7.456 9.421 ( -3.869 14.583 0.000) 15.087 9.567 ( -1.426 -3.840 0.000) 4.096 9.607 ( 2.875 -0.557 0.000) 2.929 9.777 ( -9.504 -3.949 0.000) 10.292 9.820 ( -2.024 8.204 0.000) 8.450 9.982 ( 6.468 -6.467 0.000) 9.147 10.034 ( -2.017 -1.498 0.000) 2.512 10.090 ( 4.414 4.536 0.000) 6.330 10.190 ( -4.416 -0.167 0.000) 4.419 10.252 ( 2.819 -6.765 0.000) 7.329 10.566 ( 7.491 7.366 0.000) 10.506 10.692 ( 10.321 18.630 0.000) 21.298 10.712 ( 19.490 -15.345 0.000) 24.806 10.839 ( 12.559 -11.405 0.000) 16.964 10.931 ( -10.082 -31.188 0.000) 32.777 11.550 ( -3.252 0.222 0.000) 3.260 11.727 ( -0.824 -3.636 0.000) 3.729 11.774 ( -0.607 -3.767 0.000) 3.816 11.870 ( 4.628 1.707 0.000) 4.933 12.025 ( 3.688 1.138 0.000) 3.860 12.149 ( 2.020 0.093 0.000) 2.023 12.266 ( 6.884 4.781 0.000) 8.382 12.326 ( -8.126 -1.526 0.000) 8.268 12.580 ( 5.476 -4.162 0.000) 6.878 12.648 ( 5.779 9.536 0.000) 11.150 12.666 ( 2.909 8.721 0.000) 9.193 12.801 ( 2.868 5.296 0.000) 6.023 12.819 ( 6.530 2.367 0.000) 6.946 13.370 ( 4.245 -4.740 0.000) 6.363 13.508 ( -12.597 -2.601 0.000) 12.863 13.664 ( -14.939 7.239 0.000) 16.600 13.882 ( 7.995 20.682 0.000) 22.174 13.964 ( 3.766 6.533 0.000) 7.541 14.221 ( -4.025 -4.369 0.000) 5.941 14.421 ( 2.965 2.684 0.000) 4.000 14.439 ( 1.329 11.285 0.000) 11.363 14.495 ( -3.326 12.594 0.000) 13.026 14.797 ( -3.461 -6.586 0.000) 7.440 14.846 ( -2.639 10.537 0.000) 10.862 15.128 ( -6.039 -4.124 0.000) 7.313 15.335 ( -12.169 -7.005 0.000) 14.041 15.428 ( -8.872 -0.921 0.000) 8.919 15.514 ( -11.660 1.677 0.000) 11.780 15.556 ( -9.923 -7.768 0.000) 12.602 15.581 ( -4.460 0.122 0.000) 4.461 15.593 ( -3.821 -9.774 0.000) 10.494 15.762 ( -4.858 -4.591 0.000) 6.684 15.977 ( -5.524 -0.356 0.000) 5.536 16.035 ( -10.744 1.109 0.000) 10.801 16.070 ( 5.279 -6.509 0.000) 8.380 16.136 ( -10.615 -0.835 0.000) 10.648 16.319 ( -9.629 -3.992 0.000) 10.424 16.442 ( 0.254 0.113 0.000) 0.277 16.516 ( 4.228 13.007 0.000) 13.677 16.591 ( 9.903 -2.944 0.000) 10.331 16.638 ( -4.574 3.197 0.000) 5.580 16.721 ( 10.137 5.739 0.000) 11.648 17.199 ( 18.525 0.392 0.000) 18.529 17.474 ( 19.510 -11.754 0.000) 22.777 17.773 ( 11.238 -8.623 0.000) 14.165 17.815 ( -14.081 7.674 0.000) 16.037 18.468 ( -7.384 -7.750 0.000) 10.705 19.088 ( -1.635 4.781 0.000) 5.053 19.275 ( -15.935 5.266 0.000) 16.783 19.687 ( -10.339 -5.913 0.000) 11.911 19.832 ( -2.139 -2.819 0.000) 3.538 19.903 ( -5.441 -11.371 0.000) 12.606 19.986 ( -3.429 -6.148 0.000) 7.040 20.123 ( 1.340 4.313 0.000) 4.517 20.262 ( 4.550 -0.680 0.000) 4.601 20.320 ( 4.768 -5.302 0.000) 7.130 20.383 ( -6.948 6.898 0.000) 9.791 20.415 ( 8.965 -5.109 0.000) 10.319 20.630 ( 2.276 1.425 0.000) 2.685 21.122 ( 3.027 0.177 0.000) 3.032 21.140 ( 13.569 5.852 0.000) 14.777 21.294 ( -6.192 1.652 0.000) 6.409 21.469 ( -3.693 14.781 0.000) 15.235 21.532 ( 10.204 -3.580 0.000) 10.814 22.143 ( 4.574 -1.168 0.000) 4.721 22.238 ( 17.992 2.474 0.000) 18.162 22.328 ( 6.484 -2.439 0.000) 6.928 22.329 ( 7.364 1.648 0.000) 7.546 22.414 ( 4.866 -0.651 0.000) 4.909 25.453 ( 0.871 1.209 0.000) 1.490 25.485 ( 0.872 3.413 0.000) 3.523 25.618 ( 0.960 -3.687 0.000) 3.810 25.739 ( -1.855 2.159 0.000) 2.846 25.791 ( -1.357 1.435 0.000) 1.975 25.803 ( 1.204 -7.237 0.000) 7.336 25.962 ( -4.130 4.978 0.000) 6.468 26.203 ( -9.804 3.285 0.000) 10.340 26.378 ( 2.234 3.146 0.000) 3.858 26.541 ( 2.732 1.653 0.000) 3.193 26.581 ( 4.928 -2.677 0.000) 5.608 26.612 ( 4.192 -0.159 0.000) 4.195 26.706 ( 4.113 -0.875 0.000) 4.206 26.778 ( 1.702 -2.721 0.000) 3.209 26.892 ( -0.075 3.382 0.000) 3.383 27.084 ( -0.756 -1.418 0.000) 1.607 27.599 ( 12.401 -6.164 0.000) 13.848 27.851 ( 9.967 -10.657 0.000) 14.591 27.946 ( 2.131 -0.024 0.000) 2.131 28.031 ( 3.469 -2.686 0.000) 4.387 28.125 ( -3.932 12.118 0.000) 12.740 28.261 ( -0.004 3.113 0.000) 3.113 28.344 ( 3.262 1.013 0.000) 3.416 28.899 ( -1.243 0.273 0.000) 1.272 28.992 ( -6.284 -14.017 0.000) 15.361 29.040 ( 1.264 -3.653 0.000) 3.866 29.278 ( -1.968 6.385 0.000) 6.681 29.343 ( -7.673 8.786 0.000) 11.665 29.675 ( -9.633 6.280 0.000) 11.499 29.741 ( -4.318 -0.821 0.000) 4.395 29.897 ( -10.373 -9.382 0.000) 13.987 30.013 ( -6.543 -2.158 0.000) 6.890 ======================= Grid point 13 (9/36) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 5.799 8.660 0.000) 10.422 1.855 ( -0.062 25.193 0.000) 25.193 2.084 ( -27.636 4.908 0.000) 28.069 2.460 ( 30.624 20.358 0.000) 36.773 2.577 ( -4.148 5.452 0.000) 6.851 2.595 ( -12.576 -5.839 0.000) 13.865 2.724 ( -11.665 1.671 0.000) 11.784 2.820 ( -3.214 16.577 0.000) 16.885 2.873 ( -11.753 5.382 0.000) 12.927 3.020 ( 5.533 1.242 0.000) 5.671 3.166 ( -2.778 -7.202 0.000) 7.719 3.221 ( 0.497 1.892 0.000) 1.956 3.269 ( 2.641 7.087 0.000) 7.563 3.418 ( 6.400 5.558 0.000) 8.476 3.544 ( 5.845 -4.077 0.000) 7.126 3.643 ( 15.964 -14.099 0.000) 21.298 3.961 ( -3.683 3.401 0.000) 5.013 3.988 ( 19.311 5.634 0.000) 20.116 4.126 ( 16.135 -8.699 0.000) 18.331 4.311 ( -16.538 0.670 0.000) 16.552 4.430 ( -12.822 -5.231 0.000) 13.848 4.568 ( 2.008 5.284 0.000) 5.653 4.620 ( -9.874 -9.341 0.000) 13.593 4.670 ( 13.233 5.024 0.000) 14.155 4.897 ( 9.951 4.454 0.000) 10.902 4.998 ( -10.854 5.189 0.000) 12.031 5.044 ( 12.893 15.676 0.000) 20.297 5.203 ( -16.495 -6.009 0.000) 17.555 5.223 ( 6.060 -4.500 0.000) 7.548 5.357 ( 8.319 -5.833 0.000) 10.160 5.403 ( -12.739 3.864 0.000) 13.312 5.485 ( -10.444 3.205 0.000) 10.925 5.691 ( -4.815 2.089 0.000) 5.249 5.758 ( -10.686 -3.498 0.000) 11.244 5.868 ( 8.307 3.108 0.000) 8.869 5.959 ( 1.215 -3.422 0.000) 3.631 6.090 ( -9.321 -7.318 0.000) 11.850 6.262 ( 5.546 10.362 0.000) 11.753 6.364 ( -5.433 -12.477 0.000) 13.609 6.409 ( 10.128 -8.805 0.000) 13.421 6.416 ( 8.403 -11.638 0.000) 14.354 6.767 ( -3.181 -0.467 0.000) 3.215 6.779 ( 2.534 2.008 0.000) 3.233 6.851 ( -7.020 3.086 0.000) 7.668 6.860 ( 1.385 -4.983 0.000) 5.172 7.006 ( 1.135 7.840 0.000) 7.921 7.083 ( -1.284 0.960 0.000) 1.603 7.146 ( 0.386 6.136 0.000) 6.149 7.250 ( -9.121 2.478 0.000) 9.451 7.278 ( 7.852 4.188 0.000) 8.899 7.316 ( 8.052 3.280 0.000) 8.695 7.331 ( 8.934 -1.022 0.000) 8.992 7.395 ( 2.389 5.758 0.000) 6.234 7.436 ( 0.131 6.380 0.000) 6.382 7.592 ( 14.261 5.626 0.000) 15.330 7.619 ( -3.458 5.461 0.000) 6.464 7.726 ( -5.494 1.625 0.000) 5.729 7.902 ( 2.136 -10.467 0.000) 10.683 7.929 ( 4.310 -1.181 0.000) 4.469 8.018 ( 3.116 -12.693 0.000) 13.070 8.092 ( -1.229 4.965 0.000) 5.114 8.182 ( -10.163 6.882 0.000) 12.274 8.225 ( 7.418 0.735 0.000) 7.454 8.264 ( 8.323 3.868 0.000) 9.178 8.408 ( 1.068 -1.132 0.000) 1.557 8.508 ( 0.636 -0.680 0.000) 0.931 8.534 ( -3.263 -6.839 0.000) 7.578 8.598 ( -0.709 -5.242 0.000) 5.290 8.728 ( 4.489 -2.004 0.000) 4.916 8.783 ( 10.081 -12.959 0.000) 16.418 8.806 ( -5.271 -16.102 0.000) 16.943 8.935 ( -9.951 -5.666 0.000) 11.451 9.018 ( 6.983 1.294 0.000) 7.102 9.114 ( 7.153 5.897 0.000) 9.270 9.303 ( -7.649 12.981 0.000) 15.067 9.417 ( 15.588 -3.702 0.000) 16.022 9.467 ( 1.229 -0.133 0.000) 1.236 9.553 ( -12.611 6.967 0.000) 14.408 9.657 ( 11.358 -0.694 0.000) 11.379 9.665 ( 0.229 0.141 0.000) 0.270 9.832 ( 6.245 9.183 0.000) 11.105 9.918 ( -7.895 5.481 0.000) 9.611 10.068 ( 1.429 -4.269 0.000) 4.502 10.075 ( -7.493 2.926 0.000) 8.044 10.270 ( 12.570 -0.086 0.000) 12.570 10.362 ( 8.771 -14.905 0.000) 17.294 10.706 ( 9.852 14.930 0.000) 17.887 10.772 ( -4.351 -25.790 0.000) 26.154 11.005 ( 17.702 7.391 0.000) 19.183 11.116 ( 15.720 -27.358 0.000) 31.553 11.148 ( 17.882 -12.721 0.000) 21.945 11.480 ( -3.469 1.801 0.000) 3.909 11.743 ( 4.113 -3.278 0.000) 5.259 11.763 ( -1.637 -6.470 0.000) 6.674 11.934 ( 0.934 4.303 0.000) 4.403 12.073 ( 2.237 3.030 0.000) 3.767 12.077 ( -5.658 2.718 0.000) 6.277 12.285 ( 4.183 -1.223 0.000) 4.358 12.394 ( 4.816 3.600 0.000) 6.013 12.699 ( 6.164 -5.611 0.000) 8.335 12.738 ( 4.404 -1.919 0.000) 4.804 12.833 ( 0.099 5.236 0.000) 5.237 12.841 ( 11.652 17.071 0.000) 20.669 12.934 ( 4.774 0.936 0.000) 4.864 13.222 ( -18.034 -0.395 0.000) 18.039 13.278 ( -19.029 16.643 0.000) 25.280 13.478 ( 5.715 -1.568 0.000) 5.926 14.068 ( -1.171 2.112 0.000) 2.415 14.086 ( 11.532 12.473 0.000) 16.987 14.147 ( 1.377 -6.683 0.000) 6.823 14.377 ( -9.006 14.542 0.000) 17.105 14.425 ( -3.331 3.833 0.000) 5.078 14.481 ( 2.801 5.745 0.000) 6.392 14.725 ( -8.797 6.029 0.000) 10.665 14.794 ( 0.031 -5.660 0.000) 5.661 14.948 ( -9.302 -2.122 0.000) 9.541 14.976 ( -23.380 1.243 0.000) 23.413 15.227 ( -15.211 -2.458 0.000) 15.408 15.265 ( -6.736 -1.557 0.000) 6.913 15.341 ( -11.969 -2.209 0.000) 12.171 15.402 ( -11.071 4.767 0.000) 12.054 15.484 ( -9.360 -5.567 0.000) 10.890 15.699 ( -3.506 -10.256 0.000) 10.839 15.755 ( -15.797 -0.924 0.000) 15.824 15.771 ( -16.844 -1.060 0.000) 16.877 15.871 ( -14.126 -3.256 0.000) 14.496 16.067 ( -14.827 -3.527 0.000) 15.240 16.072 ( -5.351 -8.634 0.000) 10.158 16.463 ( 1.438 2.744 0.000) 3.098 16.492 ( 0.487 8.937 0.000) 8.951 16.811 ( 13.692 16.816 0.000) 21.686 16.814 ( 12.608 -3.517 0.000) 13.090 17.002 ( 17.296 -0.595 0.000) 17.306 17.508 ( -15.180 10.282 0.000) 18.334 17.626 ( 20.406 -4.788 0.000) 20.961 17.772 ( 15.994 -0.173 0.000) 15.995 18.074 ( 18.199 -9.427 0.000) 20.496 18.329 ( -5.774 -8.827 0.000) 10.548 18.968 ( -13.792 7.903 0.000) 15.896 19.102 ( 2.787 -0.945 0.000) 2.943 19.467 ( -11.484 -8.241 0.000) 14.134 19.689 ( -11.787 -1.448 0.000) 11.875 19.814 ( -2.661 -17.012 0.000) 17.219 19.889 ( -5.735 -3.225 0.000) 6.580 20.176 ( 3.549 6.164 0.000) 7.113 20.222 ( -3.586 7.666 0.000) 8.463 20.391 ( 3.415 -1.025 0.000) 3.565 20.491 ( 13.333 -12.866 0.000) 18.528 20.682 ( 13.967 -3.339 0.000) 14.361 20.752 ( 9.514 -1.694 0.000) 9.664 21.110 ( -3.723 8.888 0.000) 9.636 21.201 ( -1.648 9.559 0.000) 9.700 21.428 ( -0.456 6.469 0.000) 6.485 21.455 ( 16.746 5.618 0.000) 17.664 21.787 ( 13.267 -2.959 0.000) 13.593 22.193 ( -0.100 -9.776 0.000) 9.776 22.445 ( 5.636 3.421 0.000) 6.593 22.447 ( 5.103 3.632 0.000) 6.264 22.507 ( 3.889 0.719 0.000) 3.955 22.578 ( 13.366 0.176 0.000) 13.367 25.473 ( 1.009 1.204 0.000) 1.571 25.503 ( 0.779 2.990 0.000) 3.090 25.623 ( -0.754 -2.811 0.000) 2.910 25.702 ( -1.748 0.660 0.000) 1.868 25.756 ( -2.047 0.983 0.000) 2.271 25.770 ( -3.888 -4.015 0.000) 5.589 25.878 ( -4.195 1.890 0.000) 4.602 26.020 ( -8.822 2.542 0.000) 9.181 26.463 ( 5.737 2.666 0.000) 6.326 26.614 ( 4.443 1.872 0.000) 4.821 26.700 ( 5.831 -3.875 0.000) 7.002 26.701 ( 5.430 1.090 0.000) 5.538 26.801 ( 5.203 0.141 0.000) 5.205 26.821 ( 2.473 -2.284 0.000) 3.366 26.890 ( -0.102 2.990 0.000) 2.991 27.064 ( -1.294 -1.238 0.000) 1.791 27.766 ( 6.888 -1.727 0.000) 7.101 28.015 ( 4.480 -0.130 0.000) 4.482 28.018 ( 2.116 4.857 0.000) 5.298 28.092 ( 4.921 -2.675 0.000) 5.601 28.115 ( 5.071 -2.752 0.000) 5.769 28.268 ( 0.500 3.599 0.000) 3.634 28.423 ( 4.741 0.014 0.000) 4.741 28.857 ( -6.754 -15.346 0.000) 16.767 28.876 ( -0.913 1.361 0.000) 1.639 29.070 ( 1.763 -3.286 0.000) 3.729 29.206 ( -6.510 7.167 0.000) 9.682 29.233 ( -2.366 3.644 0.000) 4.345 29.451 ( -10.871 10.788 0.000) 15.315 29.638 ( -14.904 -6.520 0.000) 16.268 29.659 ( -5.788 -5.396 0.000) 7.913 29.851 ( -9.694 -2.619 0.000) 10.042 ======================= Grid point 14 (10/36) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -30.107 1.591 0.000) 30.149 1.676 ( -12.621 -4.102 0.000) 13.270 1.793 ( -3.857 2.536 0.000) 4.616 2.273 ( -14.401 -3.866 0.000) 14.911 2.381 ( -13.831 4.294 0.000) 14.483 2.552 ( -15.529 12.119 0.000) 19.699 2.611 ( -6.325 15.831 0.000) 17.048 2.776 ( -1.938 9.357 0.000) 9.556 2.932 ( 10.671 -4.539 0.000) 11.596 3.042 ( -0.574 16.662 0.000) 16.672 3.081 ( -4.321 -5.836 0.000) 7.262 3.247 ( -3.333 -1.056 0.000) 3.497 3.295 ( 7.426 1.255 0.000) 7.531 3.469 ( -2.881 -0.491 0.000) 2.923 3.723 ( 11.542 15.576 0.000) 19.386 3.787 ( 1.084 -9.274 0.000) 9.337 3.867 ( -3.864 -14.471 0.000) 14.978 4.061 ( -7.908 17.941 0.000) 19.607 4.173 ( -9.185 5.821 0.000) 10.874 4.309 ( 1.061 -26.080 0.000) 26.101 4.440 ( -9.682 0.767 0.000) 9.712 4.515 ( 12.358 2.435 0.000) 12.595 4.676 ( 7.861 9.999 0.000) 12.719 4.676 ( -17.525 3.794 0.000) 17.931 4.769 ( -15.310 3.494 0.000) 15.703 4.841 ( -11.614 2.661 0.000) 11.915 4.967 ( 4.555 5.163 0.000) 6.885 5.056 ( -8.047 6.641 0.000) 10.434 5.114 ( -1.982 2.288 0.000) 3.027 5.468 ( 10.074 5.162 0.000) 11.319 5.538 ( 10.383 6.711 0.000) 12.363 5.553 ( 5.568 2.620 0.000) 6.154 5.608 ( 4.520 0.121 0.000) 4.521 5.873 ( 12.534 -4.483 0.000) 13.311 5.965 ( 3.004 4.162 0.000) 5.133 6.013 ( 4.861 0.154 0.000) 4.863 6.103 ( 7.087 -16.270 0.000) 17.747 6.217 ( 5.489 7.622 0.000) 9.393 6.402 ( 1.165 -9.413 0.000) 9.485 6.572 ( 5.776 -11.501 0.000) 12.870 6.619 ( 2.326 -0.277 0.000) 2.342 6.675 ( 0.815 -5.068 0.000) 5.133 6.778 ( 3.543 5.397 0.000) 6.456 6.794 ( -8.757 -3.560 0.000) 9.453 6.881 ( 5.663 6.464 0.000) 8.594 6.963 ( -4.970 3.160 0.000) 5.889 6.986 ( -6.403 2.351 0.000) 6.821 7.066 ( 0.022 4.372 0.000) 4.372 7.204 ( -1.565 0.540 0.000) 1.656 7.231 ( -6.927 2.813 0.000) 7.476 7.322 ( 0.098 -5.422 0.000) 5.423 7.333 ( -0.626 4.529 0.000) 4.572 7.401 ( -9.607 2.648 0.000) 9.966 7.610 ( -1.876 -5.730 0.000) 6.029 7.616 ( -2.332 5.037 0.000) 5.551 7.666 ( 3.157 -5.083 0.000) 5.984 7.668 ( 7.395 12.329 0.000) 14.377 7.974 ( -7.851 -0.720 0.000) 7.884 8.008 ( 1.157 -2.161 0.000) 2.451 8.117 ( 9.517 -3.505 0.000) 10.142 8.167 ( 11.517 -16.977 0.000) 20.515 8.192 ( 7.310 4.545 0.000) 8.607 8.282 ( 1.980 -9.483 0.000) 9.688 8.454 ( 10.087 -3.135 0.000) 10.563 8.513 ( 0.871 -1.504 0.000) 1.738 8.560 ( 13.655 -2.774 0.000) 13.934 8.578 ( -1.434 -6.484 0.000) 6.641 8.662 ( 3.157 -14.058 0.000) 14.408 8.687 ( -8.241 -6.505 0.000) 10.499 8.836 ( 11.809 -5.796 0.000) 13.155 8.891 ( 6.831 -2.802 0.000) 7.383 8.974 ( 12.562 5.517 0.000) 13.720 9.053 ( -5.586 8.226 0.000) 9.943 9.194 ( 0.136 0.880 0.000) 0.890 9.300 ( -10.553 11.257 0.000) 15.430 9.328 ( 13.400 6.623 0.000) 14.947 9.529 ( 6.737 2.023 0.000) 7.034 9.614 ( -2.393 10.531 0.000) 10.800 9.697 ( -2.479 1.202 0.000) 2.755 9.755 ( 8.220 0.352 0.000) 8.227 9.776 ( -5.868 4.497 0.000) 7.393 9.960 ( -1.775 -2.347 0.000) 2.942 10.110 ( 15.727 5.963 0.000) 16.819 10.136 ( 13.271 -0.859 0.000) 13.299 10.505 ( 10.317 -6.696 0.000) 12.299 10.633 ( 17.785 -9.466 0.000) 20.147 10.670 ( -8.536 -14.621 0.000) 16.931 11.003 ( 20.977 6.664 0.000) 22.010 11.218 ( -2.607 -16.506 0.000) 16.710 11.260 ( 4.299 -5.757 0.000) 7.184 11.444 ( -1.818 -4.230 0.000) 4.604 11.504 ( 17.105 -2.118 0.000) 17.235 11.679 ( -0.888 -7.429 0.000) 7.482 11.888 ( 0.684 8.899 0.000) 8.926 11.945 ( 8.610 -12.046 0.000) 14.806 12.130 ( 3.454 1.054 0.000) 3.611 12.152 ( 11.998 1.488 0.000) 12.090 12.411 ( 5.898 0.320 0.000) 5.907 12.425 ( -1.837 1.221 0.000) 2.206 12.709 ( -13.226 11.292 0.000) 17.391 12.758 ( -2.684 -10.304 0.000) 10.648 12.815 ( 3.517 -4.995 0.000) 6.109 12.842 ( -15.380 1.951 0.000) 15.503 13.008 ( 4.116 5.330 0.000) 6.734 13.052 ( -5.129 12.767 0.000) 13.759 13.078 ( 11.566 11.564 0.000) 16.355 13.577 ( 4.464 2.944 0.000) 5.347 13.912 ( -11.956 -8.042 0.000) 14.409 14.028 ( -19.137 14.196 0.000) 23.827 14.119 ( -13.576 8.262 0.000) 15.892 14.306 ( -3.112 2.496 0.000) 3.990 14.353 ( -0.872 5.248 0.000) 5.320 14.495 ( -16.140 9.967 0.000) 18.969 14.538 ( 1.594 -0.947 0.000) 1.854 14.594 ( -1.924 2.279 0.000) 2.982 14.712 ( -7.332 0.725 0.000) 7.368 14.828 ( -5.182 2.870 0.000) 5.923 14.967 ( -11.434 -4.688 0.000) 12.358 15.128 ( -6.591 -5.265 0.000) 8.436 15.152 ( -17.063 0.078 0.000) 17.064 15.206 ( -4.778 3.310 0.000) 5.813 15.254 ( -3.411 3.931 0.000) 5.204 15.371 ( -20.758 0.867 0.000) 20.776 15.525 ( -8.383 -6.664 0.000) 10.709 15.602 ( -12.844 -7.107 0.000) 14.679 15.616 ( -4.688 -9.867 0.000) 10.924 15.792 ( -12.194 -3.964 0.000) 12.822 15.921 ( -8.835 -4.313 0.000) 9.832 16.491 ( 1.456 5.185 0.000) 5.385 16.549 ( 3.235 8.373 0.000) 8.976 17.017 ( 6.844 17.183 0.000) 18.495 17.076 ( 13.495 -5.653 0.000) 14.631 17.270 ( -8.369 12.573 0.000) 15.104 17.360 ( 17.589 -8.614 0.000) 19.585 17.894 ( 10.440 -6.247 0.000) 12.166 18.184 ( 20.981 2.268 0.000) 21.104 18.253 ( -2.219 -9.230 0.000) 9.493 18.403 ( 11.781 -10.059 0.000) 15.491 18.797 ( 0.062 10.404 0.000) 10.405 19.087 ( -8.729 -6.156 0.000) 10.681 19.249 ( -9.620 -6.112 0.000) 11.398 19.535 ( -0.006 0.823 0.000) 0.823 19.771 ( -6.651 -7.685 0.000) 10.163 19.799 ( 0.405 -21.332 0.000) 21.336 20.233 ( 3.536 9.179 0.000) 9.837 20.252 ( 4.147 9.101 0.000) 10.001 20.403 ( -1.373 0.325 0.000) 1.411 20.734 ( 9.121 -11.379 0.000) 14.583 20.906 ( 9.551 -2.286 0.000) 9.820 20.980 ( 11.695 -2.491 0.000) 11.957 21.009 ( -5.186 16.635 0.000) 17.424 21.266 ( 7.272 7.314 0.000) 10.314 21.447 ( 3.059 4.309 0.000) 5.284 21.753 ( 13.235 4.083 0.000) 13.851 21.990 ( 6.652 -2.292 0.000) 7.036 22.190 ( 0.878 -10.690 0.000) 10.726 22.500 ( 0.446 4.884 0.000) 4.904 22.507 ( 0.257 4.175 0.000) 4.183 22.551 ( 0.545 1.423 0.000) 1.524 22.743 ( 3.291 -1.258 0.000) 3.523 25.490 ( 0.766 1.107 0.000) 1.346 25.513 ( 0.307 2.236 0.000) 2.257 25.593 ( -1.934 -0.914 0.000) 2.139 25.670 ( -1.484 -0.356 0.000) 1.526 25.680 ( -4.749 -1.464 0.000) 4.970 25.720 ( -1.453 -0.133 0.000) 1.459 25.798 ( -3.924 0.268 0.000) 3.933 25.861 ( -7.206 1.002 0.000) 7.276 26.587 ( 6.627 2.561 0.000) 7.104 26.704 ( 4.513 1.607 0.000) 4.791 26.784 ( 3.561 0.041 0.000) 3.561 26.821 ( 5.416 -2.144 0.000) 5.825 26.863 ( 1.239 -0.969 0.000) 1.573 26.892 ( 0.695 1.631 0.000) 1.773 26.893 ( 3.851 -0.050 0.000) 3.851 27.036 ( -1.532 -1.054 0.000) 1.859 27.897 ( 6.511 1.449 0.000) 6.670 28.024 ( 1.203 7.223 0.000) 7.323 28.095 ( 3.080 -0.146 0.000) 3.083 28.225 ( 4.871 -1.266 0.000) 5.033 28.244 ( 8.377 -5.970 0.000) 10.287 28.277 ( 1.464 2.306 0.000) 2.732 28.525 ( 5.541 -1.428 0.000) 5.722 28.742 ( -4.819 -14.822 0.000) 15.586 28.867 ( -0.023 2.334 0.000) 2.334 29.081 ( -6.273 6.300 0.000) 8.890 29.111 ( 2.405 -2.997 0.000) 3.843 29.184 ( -3.461 1.252 0.000) 3.681 29.257 ( -8.872 10.033 0.000) 13.393 29.364 ( -11.154 -3.332 0.000) 11.641 29.527 ( -7.152 -5.352 0.000) 8.933 29.650 ( -10.405 -2.650 0.000) 10.737 ======================= Grid point 15 (11/36) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -0.873 -5.729 0.000) 5.795 1.504 ( -2.220 -11.095 0.000) 11.315 1.618 ( -11.767 -3.470 0.000) 12.268 1.979 ( -17.185 -6.969 0.000) 18.544 2.192 ( -3.873 5.119 0.000) 6.419 2.256 ( -12.877 16.450 0.000) 20.891 2.384 ( -17.648 14.548 0.000) 22.871 2.741 ( 9.899 3.436 0.000) 10.478 2.830 ( -22.777 -2.324 0.000) 22.895 3.104 ( -7.441 -9.308 0.000) 11.917 3.146 ( 5.428 -5.801 0.000) 7.944 3.273 ( 7.667 14.104 0.000) 16.054 3.314 ( 3.897 -3.607 0.000) 5.310 3.352 ( -2.895 -1.834 0.000) 3.427 3.642 ( -10.577 19.432 0.000) 22.124 3.741 ( -6.229 0.414 0.000) 6.243 3.862 ( 1.366 -10.099 0.000) 10.191 4.004 ( -7.289 -1.210 0.000) 7.389 4.023 ( 2.041 12.809 0.000) 12.970 4.323 ( 1.608 -19.737 0.000) 19.802 4.370 ( -0.518 8.504 0.000) 8.520 4.454 ( -14.006 3.910 0.000) 14.542 4.551 ( 1.762 5.558 0.000) 5.831 4.659 ( -6.392 2.001 0.000) 6.698 4.681 ( -6.382 13.667 0.000) 15.083 4.849 ( -8.483 1.006 0.000) 8.543 4.868 ( 13.853 4.105 0.000) 14.449 4.951 ( 7.937 10.433 0.000) 13.110 5.042 ( -5.986 10.670 0.000) 12.234 5.447 ( -0.429 5.670 0.000) 5.686 5.591 ( -0.380 -1.215 0.000) 1.273 5.741 ( 3.360 14.082 0.000) 14.477 5.876 ( 9.734 -5.257 0.000) 11.063 6.036 ( -0.496 0.173 0.000) 0.525 6.086 ( 4.228 4.822 0.000) 6.414 6.100 ( 4.828 -0.985 0.000) 4.927 6.192 ( 5.517 -13.189 0.000) 14.297 6.369 ( -2.082 -8.398 0.000) 8.652 6.415 ( 5.794 1.068 0.000) 5.891 6.556 ( -10.456 -3.673 0.000) 11.083 6.610 ( 6.129 -5.339 0.000) 8.129 6.676 ( 4.197 -1.860 0.000) 4.591 6.718 ( -3.242 -3.334 0.000) 4.650 6.882 ( -5.363 -3.879 0.000) 6.619 6.922 ( 8.635 2.373 0.000) 8.955 6.944 ( 2.731 1.056 0.000) 2.928 7.031 ( 9.397 1.655 0.000) 9.541 7.069 ( -7.919 3.262 0.000) 8.565 7.122 ( -1.424 5.916 0.000) 6.085 7.204 ( 6.922 -0.273 0.000) 6.928 7.248 ( -5.216 -4.360 0.000) 6.798 7.342 ( 3.963 -2.829 0.000) 4.869 7.378 ( 1.705 10.939 0.000) 11.072 7.511 ( -4.478 -0.326 0.000) 4.490 7.563 ( -5.681 0.743 0.000) 5.729 7.594 ( -3.782 5.257 0.000) 6.476 7.841 ( 7.062 1.709 0.000) 7.266 7.935 ( 2.913 -7.959 0.000) 8.476 8.056 ( 6.161 -0.127 0.000) 6.163 8.216 ( -0.012 0.063 0.000) 0.064 8.244 ( 5.487 0.799 0.000) 5.545 8.259 ( -1.410 -9.758 0.000) 9.860 8.436 ( -2.182 -9.074 0.000) 9.333 8.490 ( 2.459 -4.268 0.000) 4.925 8.526 ( -1.722 -1.355 0.000) 2.191 8.615 ( 1.320 -5.354 0.000) 5.514 8.632 ( 7.134 -3.040 0.000) 7.754 8.735 ( -0.561 0.154 0.000) 0.582 8.767 ( 7.246 -7.316 0.000) 10.297 8.870 ( -2.797 -0.654 0.000) 2.872 8.954 ( -3.280 -1.143 0.000) 3.474 9.056 ( 11.724 -11.284 0.000) 16.272 9.078 ( -2.984 5.137 0.000) 5.941 9.192 ( -1.134 1.247 0.000) 1.685 9.224 ( -10.320 -2.535 0.000) 10.627 9.541 ( 0.906 1.658 0.000) 1.889 9.605 ( 16.514 11.846 0.000) 20.324 9.637 ( -6.007 -1.889 0.000) 6.297 9.755 ( 7.555 9.432 0.000) 12.085 9.791 ( 16.456 -0.185 0.000) 16.458 9.890 ( 3.459 -4.483 0.000) 5.662 10.097 ( 17.752 4.522 0.000) 18.319 10.377 ( -11.467 -6.020 0.000) 12.951 10.488 ( 11.959 8.951 0.000) 14.938 10.489 ( 19.216 0.719 0.000) 19.230 10.623 ( -0.793 -14.518 0.000) 14.540 10.963 ( 13.917 -3.328 0.000) 14.309 11.179 ( -0.189 -5.928 0.000) 5.931 11.188 ( -3.298 5.129 0.000) 6.097 11.350 ( -7.094 -6.117 0.000) 9.367 11.528 ( 29.679 -6.237 0.000) 30.328 11.737 ( 4.882 -1.255 0.000) 5.041 11.789 ( -7.054 8.199 0.000) 10.816 11.835 ( 11.092 -3.747 0.000) 11.708 12.064 ( -4.180 2.269 0.000) 4.756 12.227 ( 5.241 -17.553 0.000) 18.319 12.235 ( -10.969 1.096 0.000) 11.024 12.345 ( -3.648 -3.515 0.000) 5.066 12.430 ( 5.303 -1.845 0.000) 5.615 12.594 ( 0.252 6.348 0.000) 6.353 12.649 ( -8.204 -13.051 0.000) 15.416 12.771 ( -6.980 -3.956 0.000) 8.023 12.812 ( 17.112 6.689 0.000) 18.373 12.995 ( -2.536 4.506 0.000) 5.171 13.127 ( 7.890 2.257 0.000) 8.207 13.278 ( 7.920 6.490 0.000) 10.240 13.485 ( -21.184 13.929 0.000) 25.353 13.593 ( -18.381 -2.478 0.000) 18.547 13.755 ( -3.256 7.019 0.000) 7.737 13.817 ( -13.202 8.945 0.000) 15.947 13.937 ( -17.553 9.847 0.000) 20.126 14.226 ( -8.113 7.887 0.000) 11.314 14.490 ( -5.269 -1.185 0.000) 5.400 14.533 ( -2.705 -2.887 0.000) 3.956 14.542 ( 0.492 8.030 0.000) 8.045 14.693 ( 4.582 2.106 0.000) 5.043 14.708 ( -13.976 1.170 0.000) 14.025 14.786 ( 2.707 3.202 0.000) 4.193 14.883 ( -6.454 -3.186 0.000) 7.198 15.025 ( -11.239 -0.038 0.000) 11.239 15.058 ( -2.484 -2.547 0.000) 3.558 15.154 ( -6.864 6.118 0.000) 9.195 15.266 ( 3.499 2.434 0.000) 4.262 15.381 ( -4.665 -4.507 0.000) 6.486 15.472 ( 0.690 -8.641 0.000) 8.669 15.529 ( -3.696 -9.648 0.000) 10.332 15.602 ( -7.383 -5.067 0.000) 8.954 15.744 ( -9.085 -2.671 0.000) 9.470 16.524 ( 1.983 6.241 0.000) 6.549 16.583 ( 0.191 7.259 0.000) 7.262 17.093 ( 1.620 15.334 0.000) 15.419 17.140 ( -3.018 11.821 0.000) 12.200 17.362 ( 13.053 -8.292 0.000) 15.464 17.616 ( 6.532 -18.084 0.000) 19.227 18.068 ( 7.052 -4.721 0.000) 8.486 18.223 ( -1.400 -7.846 0.000) 7.970 18.403 ( 3.388 11.428 0.000) 11.920 18.620 ( 14.738 -3.967 0.000) 15.262 18.817 ( -15.305 -1.587 0.000) 15.387 19.021 ( 17.405 -3.387 0.000) 17.732 19.078 ( -8.941 -0.672 0.000) 8.967 19.592 ( -6.154 -8.712 0.000) 10.666 19.645 ( 2.320 -11.418 0.000) 11.651 19.797 ( -1.171 -20.491 0.000) 20.524 20.283 ( 1.966 11.281 0.000) 11.451 20.364 ( -2.218 5.492 0.000) 5.922 20.393 ( 9.455 10.014 0.000) 13.773 20.757 ( -6.265 2.129 0.000) 6.616 21.002 ( 4.409 10.386 0.000) 11.283 21.053 ( 4.835 0.247 0.000) 4.842 21.171 ( 7.749 -2.475 0.000) 8.135 21.339 ( -0.669 -2.121 0.000) 2.224 21.632 ( 14.487 6.463 0.000) 15.864 21.972 ( 8.512 0.840 0.000) 8.554 22.039 ( -0.752 -0.146 0.000) 0.766 22.218 ( 0.391 -9.274 0.000) 9.282 22.483 ( -1.426 4.142 0.000) 4.381 22.495 ( -0.368 2.792 0.000) 2.816 22.530 ( -1.384 2.761 0.000) 3.088 22.720 ( -4.842 -1.407 0.000) 5.042 25.506 ( 1.019 0.862 0.000) 1.335 25.519 ( 0.320 1.374 0.000) 1.410 25.557 ( -1.581 0.031 0.000) 1.581 25.596 ( -3.672 -0.189 0.000) 3.677 25.651 ( -0.195 -0.183 0.000) 0.267 25.700 ( -0.585 -0.791 0.000) 0.984 25.729 ( -3.244 -0.280 0.000) 3.256 25.745 ( -4.237 0.154 0.000) 4.240 26.710 ( 5.686 2.192 0.000) 6.094 26.783 ( 3.331 1.174 0.000) 3.532 26.832 ( 1.252 0.616 0.000) 1.396 26.857 ( -1.533 1.488 0.000) 2.136 26.909 ( 3.578 -1.857 0.000) 4.032 26.920 ( 1.616 -0.849 0.000) 1.825 26.944 ( 1.284 -0.581 0.000) 1.409 27.004 ( -1.671 -1.059 0.000) 1.978 28.016 ( 5.438 3.319 0.000) 6.371 28.073 ( 3.460 4.618 0.000) 5.770 28.126 ( 0.078 0.708 0.000) 0.712 28.221 ( -2.744 4.763 0.000) 5.497 28.388 ( 6.693 -5.730 0.000) 8.811 28.406 ( 7.582 -7.189 0.000) 10.448 28.630 ( 4.740 -4.389 0.000) 6.460 28.668 ( -2.684 -12.332 0.000) 12.620 28.863 ( -1.028 3.372 0.000) 3.525 28.959 ( -6.212 7.126 0.000) 9.453 29.050 ( -6.639 4.077 0.000) 7.791 29.107 ( -6.317 8.644 0.000) 10.707 29.178 ( 4.093 -3.166 0.000) 5.175 29.277 ( 0.607 -2.375 0.000) 2.451 29.395 ( -6.173 -4.853 0.000) 7.853 29.459 ( -8.688 -2.353 0.000) 9.001 ======================= Grid point 16 (12/36) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -16.678 -8.931 0.000) 18.919 1.351 ( 16.678 -8.931 0.000) 18.919 1.635 ( -14.682 -11.142 0.000) 18.431 1.635 ( 14.682 -11.142 0.000) 18.431 2.132 ( -2.284 13.805 0.000) 13.993 2.132 ( 2.284 13.805 0.000) 13.993 2.347 ( -18.142 5.789 0.000) 19.043 2.347 ( 18.142 5.789 0.000) 19.043 2.972 ( -9.593 -3.803 0.000) 10.319 2.972 ( 9.593 -3.803 0.000) 10.319 3.178 ( -3.388 1.116 0.000) 3.567 3.178 ( 3.388 1.116 0.000) 3.567 3.443 ( -1.453 -5.001 0.000) 5.208 3.443 ( 1.453 -5.001 0.000) 5.208 3.593 ( -5.608 12.293 0.000) 13.511 3.593 ( 5.608 12.293 0.000) 13.511 3.907 ( -3.006 -8.527 0.000) 9.041 3.907 ( 3.006 -8.527 0.000) 9.041 4.144 ( -12.131 11.076 0.000) 16.426 4.144 ( 12.131 11.076 0.000) 16.426 4.362 ( -0.258 3.013 0.000) 3.024 4.362 ( 0.258 3.013 0.000) 3.024 4.558 ( -2.132 3.833 0.000) 4.386 4.558 ( 2.132 3.833 0.000) 4.386 4.709 ( -6.940 3.342 0.000) 7.702 4.709 ( 6.940 3.342 0.000) 7.702 4.921 ( -4.686 12.102 0.000) 12.978 4.921 ( 4.686 12.102 0.000) 12.978 5.424 ( -17.135 3.193 0.000) 17.430 5.424 ( 17.135 3.193 0.000) 17.430 5.573 ( -3.043 2.520 0.000) 3.950 5.573 ( 3.043 2.520 0.000) 3.950 5.996 ( -5.218 -0.596 0.000) 5.252 5.996 ( 5.218 -0.596 0.000) 5.252 6.097 ( -4.325 10.597 0.000) 11.446 6.097 ( 4.325 10.597 0.000) 11.446 6.346 ( -3.389 -6.645 0.000) 7.459 6.346 ( 3.389 -6.645 0.000) 7.459 6.456 ( -0.198 -12.786 0.000) 12.787 6.456 ( 0.198 -12.786 0.000) 12.787 6.684 ( -2.478 -1.130 0.000) 2.724 6.684 ( 2.478 -1.130 0.000) 2.724 6.766 ( -7.034 -8.026 0.000) 10.672 6.766 ( 7.034 -8.026 0.000) 10.672 7.000 ( -1.599 3.086 0.000) 3.476 7.000 ( 1.599 3.086 0.000) 3.476 7.041 ( -5.574 3.471 0.000) 6.566 7.041 ( 5.574 3.471 0.000) 6.566 7.136 ( -6.203 -1.882 0.000) 6.483 7.136 ( 6.203 -1.882 0.000) 6.483 7.359 ( -6.873 -0.012 0.000) 6.873 7.359 ( 6.873 -0.012 0.000) 6.873 7.434 ( -0.621 4.301 0.000) 4.345 7.434 ( 0.621 4.301 0.000) 4.345 7.535 ( -6.593 5.824 0.000) 8.797 7.535 ( 6.593 5.824 0.000) 8.797 7.952 ( -4.143 -5.727 0.000) 7.069 7.952 ( 4.143 -5.727 0.000) 7.069 8.167 ( -5.288 -4.900 0.000) 7.209 8.167 ( 5.288 -4.900 0.000) 7.209 8.272 ( -8.056 -3.974 0.000) 8.982 8.272 ( 8.056 -3.974 0.000) 8.982 8.522 ( -8.637 -1.457 0.000) 8.759 8.522 ( 8.637 -1.457 0.000) 8.759 8.535 ( -8.084 7.457 0.000) 10.998 8.535 ( 8.084 7.457 0.000) 10.998 8.697 ( -4.949 -1.387 0.000) 5.139 8.697 ( 4.949 -1.387 0.000) 5.139 8.812 ( -9.410 4.993 0.000) 10.652 8.812 ( 9.410 4.993 0.000) 10.653 8.957 ( -8.483 -12.486 0.000) 15.095 8.957 ( 8.483 -12.486 0.000) 15.095 9.115 ( -2.183 1.193 0.000) 2.488 9.115 ( 2.183 1.193 0.000) 2.488 9.426 ( -16.591 -10.681 0.000) 19.732 9.426 ( 16.591 -10.681 0.000) 19.732 9.661 ( -7.238 -3.012 0.000) 7.839 9.661 ( 7.238 -3.012 0.000) 7.839 9.942 ( -16.402 3.944 0.000) 16.869 9.942 ( 16.402 3.944 0.000) 16.869 10.036 ( -0.361 1.109 0.000) 1.166 10.036 ( 0.361 1.109 0.000) 1.166 10.474 ( -11.702 -2.241 0.000) 11.915 10.474 ( 11.702 -2.241 0.000) 11.915 10.714 ( -3.284 -0.067 0.000) 3.285 10.714 ( 3.284 -0.067 0.000) 3.285 11.097 ( -6.567 6.398 0.000) 9.169 11.097 ( 6.567 6.398 0.000) 9.169 11.265 ( -4.789 0.466 0.000) 4.812 11.265 ( 4.789 0.466 0.000) 4.812 11.711 ( -1.756 -0.674 0.000) 1.881 11.711 ( 1.756 -0.674 0.000) 1.881 11.913 ( -7.508 -3.465 0.000) 8.269 11.913 ( 7.508 -3.465 0.000) 8.269 12.109 ( -12.867 -1.382 0.000) 12.941 12.109 ( 12.867 -1.382 0.000) 12.941 12.269 ( -18.686 -8.447 0.000) 20.507 12.269 ( 18.686 -8.447 0.000) 20.507 12.405 ( -0.935 -11.022 0.000) 11.061 12.405 ( 0.935 -11.022 0.000) 11.061 12.768 ( -1.671 -2.211 0.000) 2.772 12.768 ( 1.671 -2.211 0.000) 2.772 13.038 ( -18.186 9.744 0.000) 20.632 13.038 ( 18.186 9.744 0.000) 20.632 13.217 ( -18.123 0.853 0.000) 18.143 13.217 ( 18.123 0.853 0.000) 18.143 13.308 ( -10.395 3.372 0.000) 10.928 13.308 ( 10.395 3.372 0.000) 10.928 13.617 ( -4.874 12.029 0.000) 12.979 13.617 ( 4.874 12.029 0.000) 12.979 14.008 ( -11.683 7.869 0.000) 14.086 14.008 ( 11.683 7.869 0.000) 14.086 14.475 ( -3.556 3.898 0.000) 5.277 14.475 ( 3.556 3.898 0.000) 5.277 14.535 ( -3.547 1.588 0.000) 3.887 14.535 ( 3.547 1.588 0.000) 3.887 14.786 ( -4.779 -2.280 0.000) 5.295 14.786 ( 4.779 -2.280 0.000) 5.295 14.896 ( -6.148 0.714 0.000) 6.190 14.896 ( 6.148 0.714 0.000) 6.190 15.033 ( -1.679 1.971 0.000) 2.589 15.033 ( 1.679 1.971 0.000) 2.589 15.331 ( -2.212 -0.293 0.000) 2.231 15.331 ( 2.212 -0.293 0.000) 2.231 15.503 ( -1.949 -7.920 0.000) 8.156 15.503 ( 1.949 -7.920 0.000) 8.156 15.574 ( -7.802 -4.010 0.000) 8.772 15.574 ( 7.802 -4.010 0.000) 8.772 16.564 ( -1.829 6.670 0.000) 6.917 16.564 ( 1.829 6.670 0.000) 6.917 17.109 ( -0.625 13.673 0.000) 13.688 17.109 ( 0.625 13.673 0.000) 13.688 17.585 ( -8.328 -16.404 0.000) 18.397 17.585 ( 8.328 -16.404 0.000) 18.397 18.175 ( -3.914 -4.321 0.000) 5.831 18.175 ( 3.914 -4.321 0.000) 5.831 18.546 ( -11.435 6.741 0.000) 13.274 18.546 ( 11.435 6.741 0.000) 13.274 18.881 ( -11.502 -2.087 0.000) 11.690 18.881 ( 11.502 -2.087 0.000) 11.690 19.352 ( -15.265 -8.411 0.000) 17.429 19.352 ( 15.265 -8.411 0.000) 17.429 19.744 ( -4.264 -16.605 0.000) 17.144 19.744 ( 4.264 -16.605 0.000) 17.144 20.322 ( -2.084 9.839 0.000) 10.058 20.322 ( 2.084 9.839 0.000) 10.058 20.589 ( -9.889 8.752 0.000) 13.205 20.589 ( 9.889 8.752 0.000) 13.205 21.079 ( -2.055 4.251 0.000) 4.721 21.079 ( 2.055 4.251 0.000) 4.721 21.287 ( -4.225 -2.285 0.000) 4.803 21.287 ( 4.225 -2.285 0.000) 4.803 21.897 ( -10.825 2.259 0.000) 11.058 21.897 ( 10.825 2.259 0.000) 11.058 22.152 ( -6.736 -3.290 0.000) 7.497 22.152 ( 6.736 -3.290 0.000) 7.497 22.472 ( -0.767 2.454 0.000) 2.571 22.472 ( 0.767 2.454 0.000) 2.571 22.594 ( -6.692 0.255 0.000) 6.697 22.594 ( 6.692 0.255 0.000) 6.697 25.527 ( -0.061 0.466 0.000) 0.470 25.527 ( 0.061 0.466 0.000) 0.470 25.542 ( -1.342 0.706 0.000) 1.516 25.542 ( 1.342 0.706 0.000) 1.516 25.669 ( -2.129 -0.140 0.000) 2.133 25.669 ( 2.129 -0.140 0.000) 2.133 25.702 ( -0.900 -0.650 0.000) 1.110 25.702 ( 0.900 -0.650 0.000) 1.110 26.803 ( -3.513 1.729 0.000) 3.915 26.803 ( 3.513 1.729 0.000) 3.915 26.832 ( -1.062 0.979 0.000) 1.444 26.832 ( 1.062 0.979 0.000) 1.444 26.944 ( -0.552 -0.911 0.000) 1.065 26.944 ( 0.552 -0.911 0.000) 1.065 26.968 ( -2.079 -1.391 0.000) 2.502 26.968 ( 2.079 -1.391 0.000) 2.502 28.099 ( -2.840 2.317 0.000) 3.666 28.099 ( 2.840 2.317 0.000) 3.666 28.150 ( -4.170 4.580 0.000) 6.194 28.150 ( 4.170 4.580 0.000) 6.194 28.481 ( -1.454 -9.220 0.000) 9.333 28.481 ( 1.454 -9.220 0.000) 9.333 28.663 ( -1.883 -10.250 0.000) 10.421 28.663 ( 1.883 -10.250 0.000) 10.421 28.855 ( -3.067 9.076 0.000) 9.580 28.855 ( 3.067 9.076 0.000) 9.580 29.018 ( -2.467 7.256 0.000) 7.664 29.018 ( 2.467 7.256 0.000) 7.664 29.278 ( -5.878 -3.911 0.000) 7.061 29.278 ( 5.878 -3.911 0.000) 7.061 29.328 ( -4.440 -2.473 0.000) 5.083 29.328 ( 4.440 -2.473 0.000) 5.083 ======================= Grid point 22 (13/36) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.000 33.737 0.000) 33.737 2.062 ( 0.000 -26.589 0.000) 26.589 2.186 ( 0.000 27.484 0.000) 27.484 2.269 ( 0.000 45.748 0.000) 45.748 2.768 ( 0.000 -17.648 0.000) 17.648 2.948 ( 0.000 -5.220 0.000) 5.220 2.957 ( 0.000 6.862 0.000) 6.862 2.999 ( 0.000 -1.057 0.000) 1.057 3.076 ( 0.000 -5.422 0.000) 5.422 3.140 ( 0.000 -10.755 0.000) 10.755 3.210 ( 0.000 25.488 0.000) 25.488 3.243 ( 0.000 -2.868 0.000) 2.868 3.322 ( 0.000 30.269 0.000) 30.269 3.342 ( 0.000 -0.166 0.000) 0.166 3.378 ( 0.000 -4.442 0.000) 4.442 3.598 ( 0.000 5.071 0.000) 5.071 3.752 ( 0.000 0.382 0.000) 0.382 4.276 ( 0.000 -16.622 0.000) 16.622 4.281 ( 0.000 9.408 0.000) 9.408 4.396 ( 0.000 11.745 0.000) 11.745 4.461 ( 0.000 0.043 0.000) 0.043 4.488 ( 0.000 3.042 0.000) 3.042 4.562 ( 0.000 -17.963 0.000) 17.963 4.571 ( 0.000 1.276 0.000) 1.276 4.719 ( 0.000 -16.458 0.000) 16.458 4.727 ( 0.000 -3.342 0.000) 3.342 4.728 ( 0.000 -14.267 0.000) 14.267 4.860 ( 0.000 -2.785 0.000) 2.785 4.942 ( 0.000 -6.653 0.000) 6.653 5.121 ( 0.000 -11.361 0.000) 11.361 5.581 ( 0.000 1.003 0.000) 1.003 5.617 ( 0.000 9.988 0.000) 9.988 5.655 ( 0.000 -3.498 0.000) 3.498 5.853 ( 0.000 -10.480 0.000) 10.480 5.985 ( 0.000 4.661 0.000) 4.661 6.050 ( 0.000 -0.079 0.000) 0.079 6.273 ( 0.000 4.814 0.000) 4.814 6.314 ( 0.000 2.186 0.000) 2.186 6.533 ( 0.000 5.634 0.000) 5.634 6.560 ( 0.000 12.561 0.000) 12.561 6.635 ( 0.000 8.586 0.000) 8.586 6.706 ( 0.000 8.078 0.000) 8.078 6.807 ( 0.000 -5.287 0.000) 5.287 6.851 ( 0.000 -3.542 0.000) 3.542 6.855 ( 0.000 -9.530 0.000) 9.530 6.940 ( 0.000 -26.508 0.000) 26.508 7.062 ( 0.000 12.444 0.000) 12.444 7.204 ( 0.000 1.068 0.000) 1.068 7.224 ( 0.000 3.349 0.000) 3.349 7.251 ( 0.000 3.178 0.000) 3.178 7.262 ( 0.000 4.289 0.000) 4.289 7.356 ( 0.000 -4.881 0.000) 4.881 7.395 ( 0.000 9.992 0.000) 9.992 7.521 ( 0.000 24.929 0.000) 24.929 7.648 ( 0.000 -3.698 0.000) 3.698 7.678 ( 0.000 19.131 0.000) 19.131 7.801 ( 0.000 0.843 0.000) 0.843 7.890 ( 0.000 -1.324 0.000) 1.324 7.896 ( 0.000 -7.143 0.000) 7.143 7.985 ( 0.000 -5.635 0.000) 5.635 8.050 ( 0.000 -0.116 0.000) 0.116 8.100 ( 0.000 -4.819 0.000) 4.819 8.141 ( 0.000 2.476 0.000) 2.476 8.238 ( 0.000 -5.350 0.000) 5.350 8.349 ( 0.000 15.408 0.000) 15.408 8.575 ( 0.000 -6.086 0.000) 6.086 8.578 ( 0.000 4.402 0.000) 4.402 8.584 ( 0.000 -1.469 0.000) 1.469 8.664 ( 0.000 -3.863 0.000) 3.863 8.668 ( 0.000 -13.083 0.000) 13.083 8.674 ( 0.000 -10.688 0.000) 10.688 8.811 ( 0.000 -19.932 0.000) 19.932 8.877 ( 0.000 14.044 0.000) 14.044 9.074 ( 0.000 10.482 0.000) 10.482 9.164 ( 0.000 -17.202 0.000) 17.202 9.295 ( 0.000 -12.070 0.000) 12.070 9.360 ( 0.000 1.211 0.000) 1.211 9.409 ( 0.000 -8.576 0.000) 8.576 9.639 ( 0.000 5.263 0.000) 5.263 9.743 ( 0.000 10.245 0.000) 10.245 9.754 ( 0.000 -6.933 0.000) 6.933 9.871 ( 0.000 -2.122 0.000) 2.122 10.115 ( 0.000 8.246 0.000) 8.246 10.245 ( 0.000 -4.151 0.000) 4.151 10.248 ( 0.000 7.663 0.000) 7.663 10.305 ( 0.000 6.995 0.000) 6.995 10.348 ( 0.000 -5.104 0.000) 5.104 10.434 ( 0.000 0.172 0.000) 0.172 10.510 ( 0.000 -10.633 0.000) 10.633 10.578 ( 0.000 -16.201 0.000) 16.201 11.154 ( 0.000 27.652 0.000) 27.652 11.566 ( 0.000 1.601 0.000) 1.601 11.604 ( 0.000 -16.077 0.000) 16.077 11.638 ( 0.000 -5.617 0.000) 5.617 11.890 ( 0.000 2.932 0.000) 2.932 11.932 ( 0.000 -1.380 0.000) 1.380 12.162 ( 0.000 3.746 0.000) 3.746 12.282 ( 0.000 -8.514 0.000) 8.514 12.323 ( 0.000 6.537 0.000) 6.537 12.430 ( 0.000 -4.662 0.000) 4.662 12.610 ( 0.000 -0.330 0.000) 0.330 12.645 ( 0.000 -3.225 0.000) 3.225 13.012 ( 0.000 13.101 0.000) 13.101 13.024 ( 0.000 17.053 0.000) 17.053 13.203 ( 0.000 -7.369 0.000) 7.369 13.359 ( 0.000 -16.461 0.000) 16.461 14.003 ( 0.000 9.436 0.000) 9.436 14.158 ( 0.000 -6.886 0.000) 6.886 14.191 ( 0.000 14.390 0.000) 14.390 14.391 ( 0.000 -3.294 0.000) 3.294 14.416 ( 0.000 34.541 0.000) 34.541 14.636 ( 0.000 11.160 0.000) 11.160 14.849 ( 0.000 19.974 0.000) 19.974 14.855 ( 0.000 -10.273 0.000) 10.273 15.044 ( 0.000 -27.072 0.000) 27.072 15.079 ( 0.000 9.470 0.000) 9.470 15.247 ( 0.000 14.841 0.000) 14.841 15.279 ( 0.000 -22.453 0.000) 22.453 15.309 ( 0.000 -13.878 0.000) 13.878 15.546 ( 0.000 -11.587 0.000) 11.587 15.613 ( 0.000 3.679 0.000) 3.679 15.665 ( 0.000 -0.834 0.000) 0.834 15.781 ( 0.000 -0.794 0.000) 0.794 15.858 ( 0.000 -5.684 0.000) 5.684 16.109 ( 0.000 6.757 0.000) 6.757 16.179 ( 0.000 3.008 0.000) 3.008 16.195 ( 0.000 -2.809 0.000) 2.809 16.300 ( 0.000 -7.301 0.000) 7.301 16.437 ( 0.000 0.544 0.000) 0.544 16.456 ( 0.000 -1.015 0.000) 1.015 16.569 ( 0.000 2.195 0.000) 2.195 16.637 ( 0.000 -4.567 0.000) 4.567 16.801 ( 0.000 5.011 0.000) 5.011 16.882 ( 0.000 -3.242 0.000) 3.242 17.228 ( 0.000 9.378 0.000) 9.378 17.442 ( 0.000 -11.885 0.000) 11.885 18.145 ( 0.000 10.736 0.000) 10.736 18.367 ( 0.000 -11.111 0.000) 11.111 19.316 ( 0.000 13.319 0.000) 13.319 19.549 ( 0.000 6.906 0.000) 6.906 19.610 ( 0.000 -14.799 0.000) 14.799 19.729 ( 0.000 -11.172 0.000) 11.172 19.825 ( 0.000 0.246 0.000) 0.246 19.859 ( 0.000 -4.124 0.000) 4.124 20.190 ( 0.000 3.516 0.000) 3.516 20.199 ( 0.000 1.035 0.000) 1.035 20.242 ( 0.000 -1.797 0.000) 1.797 20.272 ( 0.000 -5.259 0.000) 5.259 20.582 ( 0.000 4.940 0.000) 4.940 20.650 ( 0.000 -1.810 0.000) 1.810 21.129 ( 0.000 6.437 0.000) 6.437 21.136 ( 0.000 8.486 0.000) 8.486 21.258 ( 0.000 -6.437 0.000) 6.437 21.308 ( 0.000 -8.467 0.000) 8.467 21.841 ( 0.000 14.354 0.000) 14.354 22.078 ( 0.000 -9.342 0.000) 9.342 22.129 ( 0.000 6.272 0.000) 6.272 22.223 ( 0.000 -2.943 0.000) 2.943 22.271 ( 0.000 6.688 0.000) 6.688 22.347 ( 0.000 -1.186 0.000) 1.186 25.479 ( 0.000 2.405 0.000) 2.405 25.536 ( 0.000 -3.314 0.000) 3.314 25.562 ( 0.000 4.883 0.000) 4.883 25.661 ( 0.000 -5.006 0.000) 5.006 25.805 ( 0.000 1.769 0.000) 1.769 25.823 ( 0.000 0.053 0.000) 0.053 26.134 ( 0.000 6.347 0.000) 6.347 26.246 ( 0.000 -4.627 0.000) 4.627 26.474 ( 0.000 0.101 0.000) 0.101 26.476 ( 0.000 -0.103 0.000) 0.103 26.572 ( 0.000 1.030 0.000) 1.030 26.575 ( 0.000 4.672 0.000) 4.672 26.604 ( 0.000 -2.175 0.000) 2.175 26.678 ( 0.000 -5.198 0.000) 5.198 26.972 ( 0.000 4.169 0.000) 4.169 27.046 ( 0.000 -3.140 0.000) 3.140 27.443 ( 0.000 6.460 0.000) 6.460 27.585 ( 0.000 -7.875 0.000) 7.875 27.931 ( 0.000 0.384 0.000) 0.384 27.949 ( 0.000 -1.570 0.000) 1.570 28.318 ( 0.000 1.768 0.000) 1.768 28.329 ( 0.000 0.607 0.000) 0.607 28.453 ( 0.000 15.312 0.000) 15.312 28.766 ( 0.000 -16.004 0.000) 16.004 28.918 ( 0.000 0.942 0.000) 0.942 28.956 ( 0.000 -2.916 0.000) 2.916 29.489 ( 0.000 11.701 0.000) 11.701 29.562 ( 0.000 4.698 0.000) 4.698 29.644 ( 0.000 -3.556 0.000) 3.556 29.749 ( 0.000 -14.109 0.000) 14.109 29.942 ( 0.000 3.546 0.000) 3.546 30.020 ( 0.000 -4.167 0.000) 4.167 ======================= Grid point 23 (14/36) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 42.931 24.706 0.000) 49.532 2.105 ( -3.613 28.440 0.000) 28.669 2.506 ( 30.311 -20.479 0.000) 36.581 2.516 ( 16.859 25.791 0.000) 30.812 2.620 ( -20.561 5.364 0.000) 21.250 2.637 ( -8.811 -9.173 0.000) 12.719 2.745 ( -13.911 -7.846 0.000) 15.971 2.978 ( 4.073 -4.572 0.000) 6.123 3.097 ( 3.433 -0.777 0.000) 3.520 3.103 ( -10.429 14.967 0.000) 18.242 3.174 ( -9.575 -1.511 0.000) 9.693 3.201 ( -10.507 -4.143 0.000) 11.294 3.243 ( -6.759 -5.173 0.000) 8.511 3.345 ( 7.965 -9.240 0.000) 12.199 3.486 ( -1.588 40.733 0.000) 40.764 3.533 ( 1.108 10.502 0.000) 10.560 3.713 ( 9.492 -0.980 0.000) 9.542 4.254 ( -6.904 11.973 0.000) 13.821 4.310 ( -7.886 1.086 0.000) 7.961 4.371 ( 2.711 1.634 0.000) 3.165 4.441 ( 6.626 -10.643 0.000) 12.537 4.542 ( -5.316 -11.200 0.000) 12.397 4.549 ( -9.381 -8.412 0.000) 12.600 4.708 ( 19.205 0.499 0.000) 19.212 4.716 ( -3.052 1.263 0.000) 3.303 4.737 ( 10.132 -11.350 0.000) 15.214 4.857 ( -2.375 -11.490 0.000) 11.733 4.978 ( 14.764 9.748 0.000) 17.692 4.985 ( 14.121 -14.544 0.000) 20.271 5.216 ( 9.567 -7.142 0.000) 11.939 5.539 ( -3.516 5.864 0.000) 6.838 5.663 ( 6.293 10.010 0.000) 11.824 5.697 ( 3.093 -6.689 0.000) 7.370 5.911 ( 4.482 -13.017 0.000) 13.767 5.949 ( 1.147 1.243 0.000) 1.691 5.971 ( -22.122 9.795 0.000) 24.194 6.073 ( -2.378 -8.163 0.000) 8.503 6.160 ( -11.616 -5.476 0.000) 12.841 6.464 ( -18.754 6.278 0.000) 19.777 6.500 ( -27.484 3.678 0.000) 27.729 6.576 ( -1.757 13.223 0.000) 13.340 6.722 ( 10.330 4.350 0.000) 11.208 6.727 ( 1.924 0.826 0.000) 2.094 6.800 ( -1.064 -5.819 0.000) 5.916 6.822 ( 3.181 -7.742 0.000) 8.370 7.028 ( 4.684 -16.356 0.000) 17.014 7.164 ( -0.288 6.917 0.000) 6.923 7.199 ( 9.194 11.860 0.000) 15.007 7.209 ( -3.211 1.005 0.000) 3.364 7.234 ( -1.565 -2.852 0.000) 3.253 7.284 ( -0.468 -3.228 0.000) 3.262 7.374 ( 1.216 15.623 0.000) 15.670 7.377 ( 5.670 -4.815 0.000) 7.438 7.559 ( 3.623 19.697 0.000) 20.028 7.707 ( 1.242 -10.535 0.000) 10.608 7.768 ( 4.211 13.749 0.000) 14.380 7.802 ( 1.436 3.695 0.000) 3.965 7.855 ( -2.696 0.628 0.000) 2.768 7.897 ( -5.572 6.449 0.000) 8.523 7.998 ( -3.761 5.798 0.000) 6.911 8.073 ( 5.670 -4.455 0.000) 7.211 8.190 ( 3.849 -7.375 0.000) 8.319 8.196 ( 9.527 -8.928 0.000) 13.056 8.287 ( 7.015 -5.351 0.000) 8.823 8.364 ( -3.608 13.019 0.000) 13.510 8.495 ( -8.554 -3.806 0.000) 9.363 8.557 ( -5.079 -3.200 0.000) 6.003 8.558 ( 1.461 6.703 0.000) 6.860 8.589 ( 0.037 -3.724 0.000) 3.725 8.595 ( -4.456 -5.492 0.000) 7.073 8.743 ( 6.950 -13.519 0.000) 15.201 8.747 ( -8.553 3.538 0.000) 9.256 8.954 ( 7.436 -9.403 0.000) 11.988 9.013 ( -12.046 -12.654 0.000) 17.471 9.139 ( 8.895 6.278 0.000) 10.887 9.289 ( 8.660 -7.776 0.000) 11.638 9.466 ( 4.698 2.210 0.000) 5.192 9.606 ( 10.440 -7.156 0.000) 12.657 9.630 ( -1.241 3.361 0.000) 3.583 9.698 ( -4.173 8.305 0.000) 9.294 9.760 ( 2.379 -3.507 0.000) 4.237 9.913 ( 3.552 -5.763 0.000) 6.770 10.136 ( -1.179 9.792 0.000) 9.862 10.187 ( -2.156 6.240 0.000) 6.602 10.240 ( 0.093 2.385 0.000) 2.386 10.246 ( -0.562 1.312 0.000) 1.427 10.432 ( 1.712 -13.020 0.000) 13.132 10.447 ( -9.140 -14.417 0.000) 17.070 10.589 ( 15.388 -0.206 0.000) 15.390 10.654 ( 12.533 -6.842 0.000) 14.279 11.184 ( 3.254 26.128 0.000) 26.330 11.577 ( 0.210 2.381 0.000) 2.390 11.606 ( -0.231 -14.879 0.000) 14.881 11.641 ( 0.255 -4.098 0.000) 4.105 11.924 ( 4.324 3.564 0.000) 5.604 11.995 ( 4.556 -3.179 0.000) 5.555 12.146 ( -1.106 0.747 0.000) 1.335 12.215 ( -5.524 -6.444 0.000) 8.488 12.391 ( 5.950 6.407 0.000) 8.744 12.491 ( 4.789 -4.382 0.000) 6.491 12.631 ( 2.130 0.209 0.000) 2.140 12.694 ( 4.563 -4.918 0.000) 6.708 13.035 ( 0.502 15.009 0.000) 15.017 13.079 ( 6.498 13.169 0.000) 14.685 13.262 ( 6.288 -6.467 0.000) 9.020 13.322 ( -4.332 -13.295 0.000) 13.983 13.893 ( -11.175 11.688 0.000) 16.171 14.076 ( -6.438 -5.839 0.000) 8.692 14.200 ( 0.232 11.918 0.000) 11.921 14.408 ( 1.148 -5.574 0.000) 5.691 14.417 ( 0.394 30.731 0.000) 30.734 14.619 ( -0.658 6.843 0.000) 6.874 14.722 ( -7.770 -3.483 0.000) 8.515 14.826 ( -2.621 19.114 0.000) 19.292 14.991 ( -4.978 -23.670 0.000) 24.188 15.064 ( -3.038 6.839 0.000) 7.483 15.139 ( -6.241 6.345 0.000) 8.899 15.252 ( -3.148 -20.634 0.000) 20.872 15.340 ( -2.217 -7.164 0.000) 7.499 15.488 ( -5.714 -10.439 0.000) 11.900 15.492 ( -11.523 3.543 0.000) 12.056 15.548 ( -10.300 -1.085 0.000) 10.357 15.752 ( -3.027 4.300 0.000) 5.259 15.897 ( 0.751 -9.455 0.000) 9.485 16.031 ( -9.328 4.155 0.000) 10.211 16.069 ( -11.122 1.925 0.000) 11.287 16.112 ( -9.065 0.065 0.000) 9.065 16.213 ( -9.003 -6.484 0.000) 11.095 16.466 ( 3.479 2.381 0.000) 4.216 16.526 ( 7.571 -3.389 0.000) 8.295 16.615 ( 2.752 2.189 0.000) 3.517 16.648 ( 5.286 -1.093 0.000) 5.398 16.934 ( 13.149 10.531 0.000) 16.847 17.114 ( 17.898 -8.141 0.000) 19.663 17.418 ( 17.343 5.094 0.000) 18.075 17.578 ( 13.187 -10.009 0.000) 16.556 18.017 ( -11.448 12.186 0.000) 16.720 18.265 ( -8.893 -12.170 0.000) 15.073 19.244 ( -6.177 10.989 0.000) 12.606 19.415 ( -12.184 9.288 0.000) 15.320 19.493 ( -10.281 -12.894 0.000) 16.491 19.645 ( -8.126 -13.607 0.000) 15.849 19.810 ( -2.695 0.791 0.000) 2.808 19.863 ( -0.297 -4.665 0.000) 4.674 20.205 ( 1.815 0.629 0.000) 1.921 20.237 ( 3.884 5.751 0.000) 6.940 20.266 ( 2.024 -3.856 0.000) 4.355 20.332 ( 6.630 -4.039 0.000) 7.763 20.513 ( -3.942 5.937 0.000) 7.127 20.607 ( -1.416 -3.314 0.000) 3.604 21.170 ( 2.866 4.433 0.000) 5.279 21.261 ( 0.107 -3.974 0.000) 3.975 21.282 ( 13.443 7.850 0.000) 15.567 21.428 ( 11.983 -6.693 0.000) 13.725 21.796 ( -4.360 15.416 0.000) 16.020 22.038 ( -2.739 -8.952 0.000) 9.362 22.300 ( 13.988 3.249 0.000) 14.360 22.343 ( 10.305 -0.697 0.000) 10.329 22.357 ( 7.076 3.146 0.000) 7.744 22.403 ( 5.265 -1.174 0.000) 5.394 25.489 ( 0.878 2.417 0.000) 2.572 25.547 ( 0.875 -3.377 0.000) 3.489 25.573 ( 0.793 5.131 0.000) 5.192 25.679 ( 1.048 -5.682 0.000) 5.778 25.780 ( -2.289 1.841 0.000) 2.938 25.804 ( -1.925 -0.377 0.000) 1.962 26.074 ( -5.615 5.904 0.000) 8.148 26.178 ( -6.851 -4.126 0.000) 7.998 26.453 ( 1.781 3.691 0.000) 4.099 26.520 ( 3.640 -3.177 0.000) 4.831 26.604 ( 2.816 4.540 0.000) 5.343 26.631 ( 4.758 1.640 0.000) 5.032 26.671 ( 5.187 -2.257 0.000) 5.657 26.702 ( 2.257 -4.833 0.000) 5.334 26.969 ( -0.381 4.035 0.000) 4.053 27.040 ( -0.593 -3.051 0.000) 3.108 27.579 ( 10.945 2.981 0.000) 11.343 27.681 ( 9.342 -6.922 0.000) 11.627 27.953 ( 2.434 0.845 0.000) 2.576 27.982 ( 3.075 -2.056 0.000) 3.699 28.321 ( 0.698 2.605 0.000) 2.697 28.353 ( 2.065 -0.453 0.000) 2.114 28.393 ( -5.476 14.777 0.000) 15.759 28.696 ( -6.437 -15.619 0.000) 16.894 28.917 ( -0.025 1.755 0.000) 1.755 28.969 ( 1.097 -3.366 0.000) 3.540 29.442 ( -4.532 10.212 0.000) 11.173 29.495 ( -5.852 6.845 0.000) 9.006 29.617 ( -3.214 -5.600 0.000) 6.457 29.670 ( -7.558 -12.486 0.000) 14.595 29.842 ( -8.987 5.690 0.000) 10.637 29.943 ( -7.072 -4.565 0.000) 8.417 ======================= Grid point 24 (15/36) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -3.540 18.490 0.000) 18.826 2.075 ( -24.433 4.705 0.000) 24.882 2.149 ( -29.653 -1.447 0.000) 29.688 2.391 ( -12.349 -14.702 0.000) 19.200 2.794 ( -5.467 6.184 0.000) 8.254 2.801 ( -2.958 9.993 0.000) 10.422 2.839 ( 5.955 13.885 0.000) 15.109 2.940 ( -11.003 1.703 0.000) 11.134 2.986 ( -4.541 2.669 0.000) 5.267 3.021 ( -1.636 -4.177 0.000) 4.486 3.144 ( 9.819 -7.803 0.000) 12.542 3.234 ( 10.169 12.827 0.000) 16.369 3.252 ( 16.971 -17.891 0.000) 24.660 3.539 ( 7.010 -7.130 0.000) 9.999 3.568 ( 12.243 12.032 0.000) 17.166 3.763 ( -3.483 28.099 0.000) 28.314 3.843 ( 15.315 -3.297 0.000) 15.665 4.072 ( -7.661 13.320 0.000) 15.366 4.236 ( 1.891 2.529 0.000) 3.158 4.295 ( -3.097 0.716 0.000) 3.178 4.379 ( -4.893 -14.781 0.000) 15.570 4.489 ( 1.699 15.391 0.000) 15.484 4.664 ( 13.852 -4.457 0.000) 14.552 4.739 ( 10.109 -1.421 0.000) 10.208 4.856 ( 3.876 -15.625 0.000) 16.099 4.870 ( 1.078 -20.692 0.000) 20.720 5.025 ( 5.598 4.841 0.000) 7.401 5.070 ( -8.946 0.972 0.000) 8.999 5.363 ( 18.398 9.950 0.000) 20.916 5.429 ( 9.439 3.993 0.000) 10.249 5.481 ( -1.253 4.370 0.000) 4.546 5.586 ( -15.119 5.843 0.000) 16.209 5.742 ( 0.622 -7.246 0.000) 7.273 5.743 ( -2.551 5.618 0.000) 6.170 5.820 ( -24.315 1.300 0.000) 24.350 5.912 ( 1.275 -2.546 0.000) 2.847 6.026 ( 5.663 -6.990 0.000) 8.996 6.070 ( -6.573 0.916 0.000) 6.637 6.173 ( -0.761 -11.398 0.000) 11.423 6.178 ( 13.330 -12.644 0.000) 18.373 6.555 ( -0.937 12.685 0.000) 12.720 6.746 ( -4.689 -4.322 0.000) 6.377 6.811 ( 4.560 3.174 0.000) 5.556 6.858 ( 5.614 0.137 0.000) 5.615 6.945 ( 3.285 3.911 0.000) 5.108 7.043 ( -5.161 3.243 0.000) 6.095 7.116 ( 2.096 -10.177 0.000) 10.390 7.122 ( -2.682 4.137 0.000) 4.930 7.182 ( -4.833 -8.867 0.000) 10.099 7.236 ( -2.101 -5.888 0.000) 6.251 7.421 ( 7.725 5.827 0.000) 9.676 7.422 ( -2.865 7.151 0.000) 7.703 7.484 ( 5.183 0.593 0.000) 5.217 7.571 ( -4.052 -5.400 0.000) 6.751 7.645 ( -1.817 18.943 0.000) 19.030 7.722 ( -8.498 3.110 0.000) 9.049 7.746 ( -7.744 0.211 0.000) 7.747 7.840 ( 2.695 3.438 0.000) 4.369 7.883 ( 7.710 -1.211 0.000) 7.804 8.007 ( 3.235 8.837 0.000) 9.411 8.135 ( -1.497 -19.035 0.000) 19.094 8.193 ( -2.399 -6.573 0.000) 6.997 8.271 ( -2.302 12.117 0.000) 12.334 8.334 ( 3.691 1.650 0.000) 4.043 8.386 ( -1.494 -2.175 0.000) 2.639 8.437 ( -12.009 3.350 0.000) 12.467 8.456 ( -0.617 -1.156 0.000) 1.311 8.545 ( 12.763 -10.138 0.000) 16.299 8.548 ( -0.941 -1.478 0.000) 1.752 8.645 ( -3.925 -7.445 0.000) 8.417 8.716 ( 15.740 10.368 0.000) 18.848 8.868 ( -0.406 3.678 0.000) 3.700 8.960 ( 14.981 -9.311 0.000) 17.639 9.058 ( 2.549 -11.442 0.000) 11.723 9.401 ( 14.634 3.532 0.000) 15.055 9.482 ( 6.026 -3.267 0.000) 6.855 9.536 ( -8.880 8.464 0.000) 12.267 9.594 ( 10.208 5.441 0.000) 11.567 9.632 ( -2.587 -1.556 0.000) 3.019 9.717 ( 4.370 -2.110 0.000) 4.853 9.884 ( 9.291 -1.993 0.000) 9.503 10.004 ( -9.552 6.119 0.000) 11.344 10.008 ( 8.083 -8.073 0.000) 11.424 10.138 ( -12.702 -1.556 0.000) 12.797 10.196 ( 1.698 6.194 0.000) 6.423 10.300 ( 6.418 -0.763 0.000) 6.464 10.378 ( 8.077 -3.715 0.000) 8.891 10.627 ( 11.788 -21.465 0.000) 24.489 10.874 ( 12.691 2.353 0.000) 12.907 10.927 ( 13.964 -5.185 0.000) 14.896 11.289 ( 7.770 16.308 0.000) 18.064 11.546 ( -2.900 4.837 0.000) 5.640 11.579 ( -2.785 -12.146 0.000) 12.461 11.654 ( 0.980 -5.519 0.000) 5.606 12.026 ( 5.309 5.362 0.000) 7.545 12.096 ( 5.461 -0.871 0.000) 5.530 12.106 ( -0.147 2.570 0.000) 2.574 12.202 ( 5.062 -6.109 0.000) 7.934 12.482 ( 1.132 3.196 0.000) 3.390 12.553 ( 1.202 -6.126 0.000) 6.243 12.687 ( 3.176 1.132 0.000) 3.372 12.806 ( 6.055 -7.631 0.000) 9.742 13.011 ( -3.694 10.029 0.000) 10.688 13.169 ( -11.467 -5.439 0.000) 12.691 13.248 ( 10.150 14.937 0.000) 18.059 13.434 ( 9.990 -4.562 0.000) 10.983 13.616 ( -15.012 16.456 0.000) 22.274 13.910 ( -10.528 -13.307 0.000) 16.968 14.228 ( 2.509 9.853 0.000) 10.167 14.405 ( -1.512 -6.157 0.000) 6.340 14.441 ( 1.706 21.613 0.000) 21.680 14.610 ( 0.625 6.523 0.000) 6.553 14.701 ( 4.122 -2.902 0.000) 5.041 14.716 ( -10.135 14.593 0.000) 17.767 14.870 ( -7.181 -10.132 0.000) 12.418 14.925 ( -13.290 9.644 0.000) 16.421 14.976 ( -8.593 3.240 0.000) 9.183 15.101 ( -13.723 -12.885 0.000) 18.824 15.243 ( -9.792 2.502 0.000) 10.107 15.251 ( -7.552 -4.281 0.000) 8.681 15.321 ( -9.143 -10.689 0.000) 14.066 15.349 ( -8.431 -7.011 0.000) 10.965 15.656 ( -5.973 6.350 0.000) 8.718 15.741 ( -19.074 -0.104 0.000) 19.074 15.755 ( -19.732 -0.766 0.000) 19.746 15.850 ( -4.796 -12.192 0.000) 13.101 15.865 ( -15.303 3.452 0.000) 15.688 15.968 ( -15.112 -5.869 0.000) 16.211 16.567 ( 5.782 7.181 0.000) 9.219 16.686 ( 5.410 9.918 0.000) 11.298 16.711 ( 10.348 -6.725 0.000) 12.341 16.857 ( 13.168 -6.759 0.000) 14.802 17.220 ( 14.073 15.355 0.000) 20.829 17.471 ( 16.760 -10.384 0.000) 19.716 17.776 ( -11.559 15.879 0.000) 19.641 17.803 ( 20.607 3.205 0.000) 20.855 17.901 ( 18.098 -7.027 0.000) 19.414 18.089 ( -7.757 -14.890 0.000) 16.789 19.127 ( -4.993 4.237 0.000) 6.549 19.171 ( -10.595 12.768 0.000) 16.591 19.270 ( -11.296 -9.759 0.000) 14.928 19.469 ( -8.004 -17.059 0.000) 18.843 19.714 ( -6.692 3.335 0.000) 7.477 19.801 ( -6.159 -5.053 0.000) 7.967 20.304 ( 3.526 5.316 0.000) 6.379 20.315 ( 8.008 -1.830 0.000) 8.214 20.337 ( -1.035 2.648 0.000) 2.843 20.356 ( 7.251 -4.105 0.000) 8.332 20.643 ( 12.449 0.192 0.000) 12.450 20.693 ( 9.680 -3.786 0.000) 10.394 21.214 ( 1.538 3.684 0.000) 3.992 21.267 ( 0.889 -1.015 0.000) 1.350 21.583 ( 15.469 6.708 0.000) 16.861 21.703 ( -4.149 16.214 0.000) 16.736 21.704 ( 14.067 -5.371 0.000) 15.057 21.981 ( -2.793 -12.005 0.000) 12.325 22.498 ( 6.186 1.818 0.000) 6.447 22.515 ( 4.912 -0.058 0.000) 4.913 22.524 ( 7.755 3.512 0.000) 8.513 22.571 ( 10.698 -1.199 0.000) 10.764 25.508 ( 0.884 2.310 0.000) 2.474 25.562 ( 0.452 -3.091 0.000) 3.124 25.582 ( -0.060 4.670 0.000) 4.671 25.678 ( -1.341 -4.936 0.000) 5.115 25.728 ( -2.771 1.642 0.000) 3.221 25.755 ( -2.741 -0.928 0.000) 2.894 25.946 ( -6.785 4.124 0.000) 7.940 26.017 ( -8.660 -2.481 0.000) 9.008 26.535 ( 5.703 4.277 0.000) 7.128 26.619 ( 5.967 -4.214 0.000) 7.305 26.674 ( 4.053 4.009 0.000) 5.701 26.735 ( 5.473 2.161 0.000) 5.884 26.757 ( 3.171 -4.031 0.000) 5.129 26.779 ( 5.496 -2.043 0.000) 5.863 26.959 ( -0.589 3.676 0.000) 3.723 27.024 ( -1.002 -2.775 0.000) 2.950 27.788 ( 10.018 3.803 0.000) 10.715 27.902 ( 11.519 -7.427 0.000) 13.705 28.024 ( 4.518 1.211 0.000) 4.677 28.062 ( 4.926 -2.474 0.000) 5.512 28.277 ( -5.391 13.031 0.000) 14.102 28.344 ( 1.387 3.755 0.000) 4.003 28.404 ( 3.069 -2.102 0.000) 3.720 28.555 ( -6.852 -14.968 0.000) 16.462 28.921 ( 0.533 3.249 0.000) 3.293 28.996 ( 1.650 -4.045 0.000) 4.368 29.331 ( -6.132 6.443 0.000) 8.894 29.364 ( -7.009 8.308 0.000) 10.870 29.482 ( -10.784 -8.485 0.000) 13.722 29.520 ( -6.249 -7.107 0.000) 9.463 29.641 ( -10.788 7.336 0.000) 13.046 29.769 ( -10.097 -5.514 0.000) 11.505 ======================= Grid point 25 (16/36) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -30.774 3.350 0.000) 30.956 1.594 ( -23.198 -3.851 0.000) 23.516 1.920 ( -10.162 9.695 0.000) 14.045 2.130 ( -14.761 -10.301 0.000) 18.000 2.493 ( -13.570 6.993 0.000) 15.266 2.647 ( -11.181 -7.997 0.000) 13.746 2.742 ( -8.475 6.706 0.000) 10.807 2.855 ( 1.078 -4.744 0.000) 4.865 3.032 ( -0.160 20.971 0.000) 20.971 3.108 ( 5.602 8.856 0.000) 10.479 3.230 ( -5.495 -0.422 0.000) 5.511 3.310 ( -6.936 1.334 0.000) 7.063 3.406 ( 2.738 -10.129 0.000) 10.492 3.500 ( -5.850 -17.476 0.000) 18.429 3.542 ( -10.043 8.726 0.000) 13.304 3.791 ( 4.188 13.599 0.000) 14.230 3.828 ( -5.696 -8.676 0.000) 10.378 4.125 ( 9.053 17.994 0.000) 20.143 4.176 ( -0.824 -8.182 0.000) 8.223 4.315 ( -4.200 0.179 0.000) 4.204 4.522 ( 4.573 12.260 0.000) 13.085 4.624 ( 9.156 9.126 0.000) 12.927 4.736 ( -8.676 -4.852 0.000) 9.941 4.791 ( -13.474 3.524 0.000) 13.927 4.828 ( 2.769 -3.248 0.000) 4.268 4.854 ( -13.086 -1.387 0.000) 13.159 5.035 ( 10.948 2.929 0.000) 11.333 5.095 ( 14.902 -1.374 0.000) 14.965 5.297 ( -8.750 16.121 0.000) 18.342 5.504 ( 3.031 4.560 0.000) 5.476 5.531 ( -2.053 -5.212 0.000) 5.602 5.607 ( 3.403 -0.261 0.000) 3.413 5.673 ( 6.927 -8.438 0.000) 10.917 5.754 ( 7.621 6.775 0.000) 10.197 5.768 ( 4.617 -14.850 0.000) 15.552 5.966 ( 6.280 -9.923 0.000) 11.743 6.144 ( 12.010 8.823 0.000) 14.903 6.163 ( 4.235 6.892 0.000) 8.089 6.339 ( 11.290 -11.456 0.000) 16.084 6.419 ( 4.674 -10.262 0.000) 11.277 6.567 ( 6.341 6.641 0.000) 9.182 6.653 ( -2.835 -0.137 0.000) 2.838 6.814 ( -5.290 5.544 0.000) 7.663 6.893 ( -2.013 5.894 0.000) 6.228 6.922 ( -2.401 -3.352 0.000) 4.123 7.008 ( -2.241 -3.578 0.000) 4.222 7.058 ( -3.401 5.780 0.000) 6.707 7.104 ( 3.318 5.387 0.000) 6.327 7.178 ( -5.376 -5.668 0.000) 7.812 7.249 ( 4.704 0.097 0.000) 4.705 7.292 ( -3.402 4.020 0.000) 5.266 7.437 ( -5.138 9.723 0.000) 10.997 7.461 ( -3.064 -12.309 0.000) 12.685 7.546 ( -4.571 4.496 0.000) 6.411 7.589 ( 1.938 -2.782 0.000) 3.390 7.647 ( 0.633 -3.657 0.000) 3.711 7.770 ( 11.487 -2.637 0.000) 11.786 7.929 ( 6.281 -0.599 0.000) 6.310 7.934 ( -3.224 1.333 0.000) 3.489 8.010 ( -10.209 4.873 0.000) 11.312 8.118 ( 2.488 2.507 0.000) 3.532 8.143 ( -1.327 -11.371 0.000) 11.448 8.230 ( -3.750 -0.272 0.000) 3.760 8.350 ( 3.570 -9.148 0.000) 9.820 8.356 ( 6.639 -2.164 0.000) 6.983 8.410 ( 6.385 -5.346 0.000) 8.327 8.565 ( 1.648 -1.498 0.000) 2.227 8.572 ( 5.585 3.916 0.000) 6.821 8.586 ( -0.262 -3.521 0.000) 3.530 8.689 ( 3.556 -7.389 0.000) 8.200 8.913 ( 2.737 5.677 0.000) 6.302 9.084 ( 0.784 -9.961 0.000) 9.992 9.145 ( 20.648 11.834 0.000) 23.799 9.298 ( 0.040 13.078 0.000) 13.078 9.360 ( 9.970 -5.214 0.000) 11.251 9.482 ( -2.490 7.231 0.000) 7.647 9.549 ( -0.346 1.507 0.000) 1.546 9.559 ( -1.825 -11.142 0.000) 11.291 9.776 ( -3.297 1.124 0.000) 3.483 9.810 ( -6.732 -0.885 0.000) 6.790 9.897 ( 13.384 11.143 0.000) 17.416 10.025 ( 0.270 5.863 0.000) 5.869 10.077 ( 13.507 -7.258 0.000) 15.334 10.242 ( 11.993 -9.364 0.000) 15.216 10.265 ( 8.772 8.612 0.000) 12.293 10.507 ( 16.782 -7.841 0.000) 18.524 10.534 ( 5.774 4.058 0.000) 7.057 10.800 ( 5.638 -20.805 0.000) 21.555 11.087 ( 10.023 3.116 0.000) 10.496 11.161 ( 9.354 -3.990 0.000) 10.170 11.488 ( 10.362 0.782 0.000) 10.391 11.493 ( -2.236 7.412 0.000) 7.742 11.554 ( 4.621 -5.224 0.000) 6.975 11.690 ( 3.106 -11.665 0.000) 12.072 12.099 ( 0.859 10.728 0.000) 10.762 12.194 ( 4.113 3.170 0.000) 5.193 12.231 ( 11.681 6.762 0.000) 13.497 12.364 ( 9.617 -5.222 0.000) 10.943 12.427 ( -5.694 -3.085 0.000) 6.476 12.510 ( -6.135 -12.463 0.000) 13.891 12.746 ( 2.362 3.513 0.000) 4.233 12.868 ( -11.426 4.011 0.000) 12.110 12.886 ( -14.917 1.531 0.000) 14.996 12.893 ( 2.675 -8.532 0.000) 8.942 13.361 ( -10.727 16.988 0.000) 20.092 13.443 ( 8.850 15.194 0.000) 17.584 13.614 ( 8.063 -2.192 0.000) 8.356 13.677 ( -12.718 -14.656 0.000) 19.405 14.266 ( -0.427 6.423 0.000) 6.437 14.319 ( -20.375 12.596 0.000) 23.954 14.366 ( -2.061 -2.138 0.000) 2.970 14.434 ( -17.294 0.995 0.000) 17.322 14.585 ( -13.088 8.282 0.000) 15.488 14.641 ( -7.680 1.812 0.000) 7.890 14.730 ( -1.361 2.627 0.000) 2.958 14.738 ( -1.480 12.843 0.000) 12.928 14.883 ( 2.916 -5.368 0.000) 6.109 14.886 ( -5.067 -3.250 0.000) 6.019 15.047 ( -9.302 4.266 0.000) 10.234 15.140 ( -9.951 -1.874 0.000) 10.126 15.179 ( -4.335 -5.775 0.000) 7.221 15.230 ( -1.614 -8.845 0.000) 8.992 15.348 ( -19.296 -2.544 0.000) 19.463 15.392 ( -13.266 -5.323 0.000) 14.294 15.537 ( -6.167 5.372 0.000) 8.178 15.545 ( -16.393 3.801 0.000) 16.828 15.669 ( -13.968 -7.268 0.000) 15.746 15.735 ( -6.583 -12.121 0.000) 13.793 16.668 ( 4.479 11.965 0.000) 12.776 16.788 ( 4.021 14.864 0.000) 15.399 16.908 ( 9.345 -11.104 0.000) 14.513 17.090 ( 9.297 -14.423 0.000) 17.160 17.435 ( 7.318 18.972 0.000) 20.334 17.599 ( -6.269 19.527 0.000) 20.508 17.738 ( 10.522 -10.909 0.000) 15.156 17.981 ( -3.369 -17.780 0.000) 18.097 18.203 ( 19.685 0.468 0.000) 19.690 18.248 ( 16.776 -4.847 0.000) 17.462 19.021 ( -7.551 0.314 0.000) 7.558 19.037 ( -2.793 14.357 0.000) 14.626 19.099 ( -4.957 -7.022 0.000) 8.596 19.374 ( -1.564 -19.992 0.000) 20.053 19.576 ( -6.633 2.964 0.000) 7.265 19.651 ( -8.606 -4.746 0.000) 9.828 20.387 ( 5.620 4.603 0.000) 7.264 20.390 ( 4.946 4.331 0.000) 6.574 20.443 ( 5.365 3.333 0.000) 6.316 20.547 ( 9.795 -7.400 0.000) 12.276 20.875 ( 11.038 0.102 0.000) 11.039 20.918 ( 11.516 -3.463 0.000) 12.026 21.226 ( -0.403 5.971 0.000) 5.985 21.293 ( 1.162 -1.590 0.000) 1.970 21.678 ( 2.674 15.108 0.000) 15.343 21.844 ( 10.768 4.759 0.000) 11.773 21.929 ( 8.360 -3.759 0.000) 9.166 21.958 ( 1.100 -12.929 0.000) 12.976 22.562 ( 0.281 1.686 0.000) 1.709 22.575 ( 1.065 0.489 0.000) 1.172 22.609 ( 1.035 5.536 0.000) 5.632 22.699 ( 2.215 -3.365 0.000) 4.029 25.520 ( 0.440 1.916 0.000) 1.966 25.561 ( -0.435 -2.074 0.000) 2.119 25.571 ( -0.903 3.338 0.000) 3.458 25.635 ( -2.677 -2.972 0.000) 4.000 25.680 ( -1.961 1.178 0.000) 2.288 25.706 ( -2.112 -1.237 0.000) 2.447 25.823 ( -5.626 1.946 0.000) 5.953 25.858 ( -7.241 -1.266 0.000) 7.351 26.655 ( 6.204 4.045 0.000) 7.406 26.735 ( 5.551 -3.863 0.000) 6.763 26.753 ( 3.816 3.152 0.000) 4.949 26.818 ( 2.823 -3.108 0.000) 4.198 26.831 ( 4.021 2.000 0.000) 4.491 26.872 ( 3.724 -1.891 0.000) 4.176 26.946 ( -0.795 3.106 0.000) 3.206 27.002 ( -1.301 -2.398 0.000) 2.728 27.969 ( 8.434 5.666 0.000) 10.161 28.103 ( 8.911 -7.278 0.000) 11.505 28.112 ( 4.024 1.973 0.000) 4.481 28.167 ( 5.581 -3.372 0.000) 6.521 28.206 ( -1.682 10.718 0.000) 10.849 28.364 ( 0.329 5.313 0.000) 5.323 28.453 ( -3.378 -14.030 0.000) 14.431 28.465 ( 2.834 -4.506 0.000) 5.323 28.938 ( 1.222 4.663 0.000) 4.821 29.034 ( 2.294 -4.653 0.000) 5.188 29.221 ( -5.070 2.595 0.000) 5.696 29.231 ( -6.396 8.329 0.000) 10.501 29.287 ( -7.858 -4.000 0.000) 8.818 29.391 ( -6.574 -6.820 0.000) 9.473 29.436 ( -9.861 6.846 0.000) 12.004 29.567 ( -10.176 -5.635 0.000) 11.632 ======================= Grid point 26 (17/36) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -6.248 5.183 0.000) 8.118 1.279 ( -5.660 -10.676 0.000) 12.084 1.643 ( -17.093 5.256 0.000) 17.882 1.794 ( -19.628 -9.545 0.000) 21.826 2.299 ( -5.019 6.327 0.000) 8.076 2.445 ( -7.952 -7.172 0.000) 10.709 2.568 ( -11.470 13.796 0.000) 17.941 2.818 ( -17.023 -9.870 0.000) 19.677 2.936 ( -8.836 3.364 0.000) 9.455 2.972 ( -4.021 20.297 0.000) 20.691 3.052 ( -4.422 -4.107 0.000) 6.035 3.271 ( -11.125 -6.250 0.000) 12.761 3.295 ( 8.324 4.496 0.000) 9.461 3.531 ( 6.154 -16.920 0.000) 18.005 3.535 ( 3.417 3.513 0.000) 4.901 3.717 ( -2.188 -14.119 0.000) 14.288 3.920 ( 2.450 10.713 0.000) 10.990 4.055 ( -11.657 15.072 0.000) 19.054 4.107 ( -3.154 -4.833 0.000) 5.771 4.195 ( -4.021 1.597 0.000) 4.327 4.601 ( -7.284 4.953 0.000) 8.808 4.608 ( -7.358 11.427 0.000) 13.591 4.686 ( -2.208 0.701 0.000) 2.316 4.705 ( 11.991 16.263 0.000) 20.206 4.816 ( -3.555 -5.611 0.000) 6.642 4.934 ( 18.967 -1.099 0.000) 18.999 5.056 ( -4.809 18.780 0.000) 19.386 5.207 ( -0.353 4.008 0.000) 4.023 5.222 ( 2.564 15.487 0.000) 15.698 5.481 ( -1.455 -9.728 0.000) 9.836 5.492 ( -2.584 1.135 0.000) 2.823 5.668 ( -0.966 -14.621 0.000) 14.653 5.875 ( 5.688 -10.960 0.000) 12.348 5.889 ( 11.709 -11.016 0.000) 16.076 5.955 ( 10.564 3.946 0.000) 11.277 6.110 ( -1.401 12.731 0.000) 12.808 6.136 ( 2.251 -11.960 0.000) 12.171 6.356 ( 5.828 8.879 0.000) 10.621 6.388 ( -5.442 -10.527 0.000) 11.851 6.490 ( -3.157 -4.295 0.000) 5.330 6.599 ( -0.919 6.214 0.000) 6.281 6.673 ( -1.874 3.247 0.000) 3.748 6.678 ( 1.568 -0.525 0.000) 1.653 6.768 ( -9.424 -4.586 0.000) 10.480 6.955 ( 6.846 1.816 0.000) 7.083 6.991 ( -1.873 3.590 0.000) 4.049 7.039 ( 3.512 -5.329 0.000) 6.382 7.080 ( -3.129 -4.553 0.000) 5.524 7.220 ( 2.838 5.530 0.000) 6.216 7.240 ( -2.882 3.353 0.000) 4.421 7.287 ( -7.531 8.717 0.000) 11.519 7.390 ( 15.573 9.216 0.000) 18.096 7.458 ( -8.220 -7.150 0.000) 10.894 7.530 ( 5.448 1.524 0.000) 5.657 7.608 ( 0.847 10.365 0.000) 10.400 7.769 ( 10.620 -1.512 0.000) 10.727 7.832 ( -6.691 6.315 0.000) 9.201 7.861 ( -1.752 -1.726 0.000) 2.459 7.973 ( 4.964 -13.027 0.000) 13.941 8.081 ( -6.399 -12.920 0.000) 14.418 8.118 ( 10.923 -5.347 0.000) 12.162 8.188 ( 9.163 -7.894 0.000) 12.094 8.211 ( 0.706 8.184 0.000) 8.215 8.467 ( 4.888 -11.359 0.000) 12.366 8.510 ( 10.163 5.880 0.000) 11.742 8.519 ( -0.985 1.389 0.000) 1.703 8.608 ( 9.936 -3.357 0.000) 10.488 8.619 ( -0.709 -9.925 0.000) 9.950 8.650 ( 1.510 2.073 0.000) 2.565 8.779 ( 10.294 -10.645 0.000) 14.808 8.940 ( -0.425 5.725 0.000) 5.741 9.086 ( -1.028 -6.539 0.000) 6.619 9.093 ( -9.903 9.707 0.000) 13.867 9.197 ( -7.625 -1.053 0.000) 7.697 9.356 ( -14.174 12.449 0.000) 18.865 9.547 ( -7.315 -5.990 0.000) 9.455 9.596 ( -2.575 3.089 0.000) 4.021 9.695 ( 0.265 -6.969 0.000) 6.974 9.707 ( 10.325 0.082 0.000) 10.325 9.765 ( 11.267 -6.196 0.000) 12.859 9.980 ( 3.317 12.991 0.000) 13.408 10.241 ( 5.879 5.154 0.000) 7.818 10.275 ( 0.052 -16.886 0.000) 16.886 10.317 ( 10.673 -1.592 0.000) 10.791 10.642 ( 20.899 14.188 0.000) 25.261 10.656 ( 11.318 11.707 0.000) 16.283 10.928 ( 22.484 -8.197 0.000) 23.932 10.943 ( 12.203 -15.192 0.000) 19.486 11.262 ( 7.215 2.231 0.000) 7.552 11.349 ( 9.988 -5.765 0.000) 11.532 11.429 ( -5.745 11.424 0.000) 12.788 11.661 ( 9.535 0.507 0.000) 9.548 11.726 ( -2.639 -16.652 0.000) 16.860 11.765 ( 11.818 -7.145 0.000) 13.809 12.064 ( -3.281 9.575 0.000) 10.122 12.165 ( -8.982 6.611 0.000) 11.153 12.312 ( -5.953 -5.684 0.000) 8.231 12.335 ( -11.843 7.270 0.000) 13.896 12.343 ( -8.452 -15.925 0.000) 18.029 12.434 ( -2.320 -0.875 0.000) 2.480 12.700 ( 3.417 5.257 0.000) 6.270 12.772 ( 1.337 6.007 0.000) 6.154 12.824 ( 11.982 -5.143 0.000) 13.039 12.955 ( 4.888 -10.875 0.000) 11.923 13.183 ( -6.952 13.826 0.000) 15.475 13.440 ( -10.348 -10.877 0.000) 15.013 13.553 ( 0.110 12.352 0.000) 12.352 13.678 ( -11.539 1.628 0.000) 11.654 13.905 ( -8.996 8.813 0.000) 12.593 14.040 ( -16.937 -1.455 0.000) 17.000 14.101 ( -13.232 14.443 0.000) 19.587 14.285 ( -10.525 -3.314 0.000) 11.034 14.461 ( 0.227 -1.009 0.000) 1.034 14.478 ( 0.396 -2.303 0.000) 2.337 14.718 ( -6.605 7.545 0.000) 10.028 14.798 ( 4.991 7.820 0.000) 9.277 14.824 ( -15.002 0.835 0.000) 15.025 14.851 ( 0.059 10.269 0.000) 10.270 14.922 ( -3.224 5.357 0.000) 6.253 14.971 ( 3.849 0.211 0.000) 3.854 15.059 ( -7.014 5.198 0.000) 8.730 15.175 ( -3.511 -14.123 0.000) 14.552 15.223 ( -8.772 -8.124 0.000) 11.956 15.236 ( 1.438 -13.173 0.000) 13.251 15.336 ( 1.534 2.709 0.000) 3.113 15.417 ( -5.678 5.851 0.000) 8.153 15.462 ( -7.057 -7.907 0.000) 10.598 15.598 ( -7.365 -10.261 0.000) 12.631 16.745 ( 3.397 15.340 0.000) 15.712 16.827 ( 0.081 16.804 0.000) 16.804 17.067 ( 6.819 -15.714 0.000) 17.130 17.196 ( 1.581 -18.503 0.000) 18.570 17.515 ( 1.519 19.943 0.000) 20.001 17.526 ( -1.517 20.903 0.000) 20.958 17.884 ( 4.527 -14.743 0.000) 15.422 17.944 ( -0.829 -19.509 0.000) 19.526 18.534 ( 11.861 1.672 0.000) 11.978 18.557 ( 16.239 -1.626 0.000) 16.320 18.866 ( -7.612 6.140 0.000) 9.780 19.007 ( -6.219 -6.564 0.000) 9.042 19.075 ( 6.678 10.380 0.000) 12.343 19.384 ( 1.718 -19.509 0.000) 19.585 19.469 ( -9.331 -3.385 0.000) 9.926 19.474 ( -4.291 -4.411 0.000) 6.154 20.480 ( 3.818 6.894 0.000) 7.881 20.521 ( 2.351 8.462 0.000) 8.783 20.523 ( 7.413 2.559 0.000) 7.843 20.675 ( 2.492 -6.948 0.000) 7.382 21.066 ( 7.991 1.392 0.000) 8.111 21.114 ( 8.263 -3.103 0.000) 8.826 21.208 ( -1.105 7.267 0.000) 7.351 21.293 ( -1.340 -2.550 0.000) 2.881 21.806 ( 9.042 10.521 0.000) 13.873 21.998 ( 4.400 1.621 0.000) 4.689 22.019 ( 4.170 -10.693 0.000) 11.478 22.027 ( 2.270 -1.136 0.000) 2.538 22.542 ( -1.500 2.041 0.000) 2.533 22.563 ( -1.124 0.196 0.000) 1.141 22.582 ( -3.007 5.305 0.000) 6.098 22.672 ( -4.114 -3.577 0.000) 5.451 25.528 ( 0.479 1.264 0.000) 1.352 25.550 ( -0.508 -0.812 0.000) 0.957 25.552 ( -0.833 1.866 0.000) 2.044 25.584 ( -2.329 -1.162 0.000) 2.603 25.656 ( -0.341 0.773 0.000) 0.844 25.678 ( -0.627 -1.294 0.000) 1.438 25.730 ( -3.849 0.426 0.000) 3.872 25.741 ( -4.530 -0.534 0.000) 4.562 26.767 ( 5.036 3.318 0.000) 6.031 26.818 ( 2.720 2.259 0.000) 3.536 26.826 ( 3.401 -2.082 0.000) 3.988 26.861 ( 1.304 -1.621 0.000) 2.080 26.889 ( 2.168 0.717 0.000) 2.284 26.919 ( 1.111 -1.714 0.000) 2.043 26.927 ( -0.968 1.983 0.000) 2.207 26.972 ( -1.754 -2.167 0.000) 2.787 28.112 ( 5.705 6.225 0.000) 8.444 28.170 ( 1.697 3.705 0.000) 4.075 28.208 ( 1.931 9.003 0.000) 9.207 28.252 ( 5.898 -7.777 0.000) 9.760 28.264 ( 3.871 -5.321 0.000) 6.581 28.346 ( -2.279 6.665 0.000) 7.043 28.421 ( 0.021 -12.186 0.000) 12.186 28.497 ( -0.112 -7.974 0.000) 7.974 28.970 ( 2.056 6.352 0.000) 6.677 29.090 ( 3.526 -5.390 0.000) 6.441 29.117 ( -5.244 8.331 0.000) 9.844 29.134 ( -2.423 4.096 0.000) 4.759 29.214 ( -0.211 -3.802 0.000) 3.808 29.261 ( -7.492 6.990 0.000) 10.246 29.273 ( -5.585 -7.221 0.000) 9.129 29.383 ( -8.283 -5.197 0.000) 9.778 ======================= Grid point 27 (18/36) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -18.080 2.090 0.000) 18.200 1.286 ( 18.080 2.090 0.000) 18.200 1.408 ( -16.631 -9.719 0.000) 19.262 1.408 ( 16.631 -9.719 0.000) 19.262 2.333 ( -8.474 7.512 0.000) 11.324 2.333 ( 8.474 7.512 0.000) 11.324 2.453 ( -11.377 -1.503 0.000) 11.476 2.453 ( 11.377 -1.503 0.000) 11.476 2.897 ( -2.903 6.028 0.000) 6.691 2.897 ( 2.903 6.028 0.000) 6.691 3.108 ( -5.425 -10.025 0.000) 11.398 3.108 ( 5.425 -10.025 0.000) 11.398 3.476 ( -8.600 6.950 0.000) 11.058 3.476 ( 8.600 6.950 0.000) 11.058 3.676 ( -6.210 -12.769 0.000) 14.199 3.676 ( 6.210 -12.769 0.000) 14.199 3.896 ( -2.906 15.094 0.000) 15.371 3.896 ( 2.906 15.094 0.000) 15.371 4.143 ( -2.759 -9.964 0.000) 10.339 4.143 ( 2.759 -9.964 0.000) 10.339 4.505 ( -0.269 14.873 0.000) 14.876 4.505 ( 0.269 14.873 0.000) 14.876 4.717 ( -4.912 -3.619 0.000) 6.101 4.717 ( 4.912 -3.619 0.000) 6.101 4.929 ( -8.822 22.938 0.000) 24.576 4.929 ( 8.822 22.938 0.000) 24.576 5.147 ( -5.072 7.330 0.000) 8.914 5.147 ( 5.072 7.330 0.000) 8.914 5.443 ( -7.933 -3.053 0.000) 8.500 5.443 ( 7.933 -3.053 0.000) 8.500 5.503 ( -9.156 -9.761 0.000) 13.383 5.503 ( 9.156 -9.761 0.000) 13.383 5.972 ( -5.218 2.186 0.000) 5.658 5.972 ( 5.218 2.186 0.000) 5.658 6.093 ( -5.358 -8.536 0.000) 10.079 6.093 ( 5.358 -8.536 0.000) 10.079 6.271 ( -9.662 -2.712 0.000) 10.035 6.271 ( 9.662 -2.712 0.000) 10.035 6.318 ( -5.333 -3.953 0.000) 6.638 6.318 ( 5.333 -3.953 0.000) 6.638 6.645 ( -3.875 3.882 0.000) 5.485 6.645 ( 3.875 3.882 0.000) 5.485 6.716 ( -1.116 -0.414 0.000) 1.191 6.716 ( 1.116 -0.414 0.000) 1.191 7.008 ( -2.705 1.160 0.000) 2.943 7.008 ( 2.705 1.160 0.000) 2.943 7.059 ( -0.088 -3.909 0.000) 3.910 7.059 ( 0.088 -3.909 0.000) 3.910 7.198 ( -1.194 6.836 0.000) 6.939 7.198 ( 1.194 6.836 0.000) 6.939 7.304 ( -5.847 -4.256 0.000) 7.232 7.304 ( 5.847 -4.256 0.000) 7.232 7.599 ( -2.435 12.268 0.000) 12.508 7.599 ( 2.435 12.268 0.000) 12.508 7.682 ( -10.527 7.040 0.000) 12.664 7.682 ( 10.527 7.040 0.000) 12.664 7.882 ( -1.784 -2.930 0.000) 3.430 7.882 ( 1.784 -2.930 0.000) 3.430 8.011 ( -0.022 -15.875 0.000) 15.875 8.011 ( 0.022 -15.875 0.000) 15.875 8.198 ( -0.186 5.496 0.000) 5.499 8.198 ( 0.186 5.496 0.000) 5.499 8.388 ( -8.504 -9.335 0.000) 12.628 8.388 ( 8.504 -9.335 0.000) 12.628 8.599 ( -3.545 -0.726 0.000) 3.619 8.599 ( 3.545 -0.726 0.000) 3.619 8.668 ( -5.353 -8.863 0.000) 10.354 8.668 ( 5.353 -8.863 0.000) 10.354 8.833 ( -15.888 10.151 0.000) 18.855 8.833 ( 15.888 10.151 0.000) 18.855 9.020 ( -8.284 10.474 0.000) 13.354 9.020 ( 8.284 10.474 0.000) 13.354 9.044 ( -5.321 -6.527 0.000) 8.421 9.044 ( 5.321 -6.527 0.000) 8.421 9.228 ( -17.646 -8.897 0.000) 19.761 9.228 ( 17.646 -8.897 0.000) 19.761 9.667 ( -6.293 2.827 0.000) 6.898 9.667 ( 6.293 2.827 0.000) 6.898 9.806 ( -5.655 -11.487 0.000) 12.804 9.806 ( 5.655 -11.487 0.000) 12.804 10.157 ( -8.681 10.297 0.000) 13.468 10.157 ( 8.681 10.297 0.000) 13.468 10.362 ( -5.764 -9.578 0.000) 11.179 10.362 ( 5.764 -9.578 0.000) 11.179 10.899 ( -2.293 16.548 0.000) 16.706 10.899 ( 2.293 16.548 0.000) 16.706 11.217 ( -2.972 -8.897 0.000) 9.380 11.217 ( 2.972 -8.897 0.000) 9.380 11.274 ( -1.235 10.171 0.000) 10.246 11.274 ( 1.235 10.171 0.000) 10.246 11.542 ( -12.848 -12.962 0.000) 18.251 11.542 ( 12.848 -12.962 0.000) 18.251 11.878 ( -13.064 2.425 0.000) 13.287 11.878 ( 13.064 2.425 0.000) 13.287 11.999 ( -11.261 -7.640 0.000) 13.608 11.999 ( 11.261 -7.640 0.000) 13.608 12.184 ( -0.325 1.927 0.000) 1.954 12.184 ( 0.325 1.927 0.000) 1.954 12.293 ( -3.717 -5.261 0.000) 6.441 12.293 ( 3.717 -5.261 0.000) 6.441 12.824 ( -1.233 8.207 0.000) 8.299 12.824 ( 1.233 8.207 0.000) 8.299 13.039 ( -1.271 -12.181 0.000) 12.247 13.039 ( 1.271 -12.181 0.000) 12.247 13.254 ( -18.473 10.822 0.000) 21.410 13.254 ( 18.473 10.822 0.000) 21.410 13.386 ( -9.932 -0.712 0.000) 9.958 13.386 ( 9.932 -0.712 0.000) 9.958 13.897 ( -5.938 12.240 0.000) 13.605 13.897 ( 5.938 12.240 0.000) 13.605 14.053 ( -10.496 -3.289 0.000) 10.999 14.053 ( 10.496 -3.289 0.000) 10.999 14.545 ( -7.717 2.798 0.000) 8.209 14.545 ( 7.717 2.798 0.000) 8.209 14.588 ( -9.048 -0.245 0.000) 9.051 14.588 ( 9.048 -0.245 0.000) 9.051 14.854 ( -0.037 12.135 0.000) 12.135 14.854 ( 0.037 12.135 0.000) 12.135 14.947 ( -6.174 3.935 0.000) 7.321 14.947 ( 6.174 3.935 0.000) 7.321 15.048 ( -4.707 -0.607 0.000) 4.746 15.048 ( 4.707 -0.607 0.000) 4.746 15.221 ( -3.617 -14.578 0.000) 15.020 15.221 ( 3.617 -14.578 0.000) 15.020 15.371 ( -1.992 0.142 0.000) 1.998 15.371 ( 1.992 0.142 0.000) 1.998 15.452 ( -7.328 -6.855 0.000) 10.035 15.452 ( 7.328 -6.855 0.000) 10.035 16.802 ( -2.344 16.886 0.000) 17.048 16.802 ( 2.344 16.886 0.000) 17.048 17.171 ( -3.604 -18.189 0.000) 18.543 17.171 ( 3.604 -18.189 0.000) 18.543 17.521 ( -0.358 20.061 0.000) 20.064 17.521 ( 0.358 20.061 0.000) 20.064 17.931 ( -0.918 -18.664 0.000) 18.687 17.931 ( 0.918 -18.664 0.000) 18.687 18.719 ( -7.785 8.428 0.000) 11.473 18.719 ( 7.785 8.428 0.000) 11.473 18.832 ( -11.612 -3.328 0.000) 12.079 18.832 ( 11.612 -3.328 0.000) 12.079 19.262 ( -10.988 1.203 0.000) 11.053 19.262 ( 10.988 1.203 0.000) 11.053 19.422 ( -2.067 -13.911 0.000) 14.064 19.422 ( 2.067 -13.911 0.000) 14.064 20.531 ( -1.255 9.211 0.000) 9.296 20.531 ( 1.255 9.211 0.000) 9.296 20.648 ( -4.609 -2.135 0.000) 5.079 20.648 ( 4.609 -2.135 0.000) 5.079 21.174 ( -3.099 4.286 0.000) 5.289 21.174 ( 3.099 4.286 0.000) 5.289 21.238 ( -4.440 -2.595 0.000) 5.143 21.238 ( 4.440 -2.595 0.000) 5.143 21.967 ( -6.021 4.722 0.000) 7.652 21.967 ( 6.021 4.722 0.000) 7.652 22.068 ( -0.175 -5.045 0.000) 5.048 22.068 ( 0.175 -5.045 0.000) 5.048 22.532 ( -1.146 3.237 0.000) 3.434 22.532 ( 1.146 3.237 0.000) 3.434 22.583 ( -3.612 -1.617 0.000) 3.957 22.583 ( 3.612 -1.617 0.000) 3.957 25.540 ( -0.545 0.773 0.000) 0.945 25.540 ( 0.545 0.773 0.000) 0.945 25.550 ( -0.891 -0.051 0.000) 0.893 25.550 ( 0.891 -0.051 0.000) 0.893 25.671 ( -1.951 0.411 0.000) 1.994 25.671 ( 1.951 0.411 0.000) 1.994 25.685 ( -1.436 -0.920 0.000) 1.706 25.685 ( 1.436 -0.920 0.000) 1.706 26.844 ( -2.252 2.065 0.000) 3.055 26.844 ( 2.252 2.065 0.000) 3.055 26.855 ( -0.005 0.995 0.000) 0.995 26.855 ( 0.005 0.995 0.000) 0.995 26.922 ( -0.226 -0.938 0.000) 0.965 26.922 ( 0.226 -0.938 0.000) 0.965 26.933 ( -2.129 -1.875 0.000) 2.837 26.933 ( 2.129 -1.875 0.000) 2.837 28.176 ( -1.140 5.484 0.000) 5.601 28.176 ( 1.140 5.484 0.000) 5.601 28.275 ( -4.080 7.818 0.000) 8.818 28.275 ( 4.080 7.818 0.000) 8.818 28.311 ( -0.003 -7.768 0.000) 7.768 28.311 ( 0.003 -7.768 0.000) 7.768 28.458 ( -3.175 -10.184 0.000) 10.667 28.458 ( 3.175 -10.184 0.000) 10.667 29.027 ( -3.867 8.229 0.000) 9.093 29.027 ( 3.867 8.229 0.000) 9.093 29.148 ( -3.638 5.968 0.000) 6.989 29.148 ( 3.638 5.968 0.000) 6.989 29.174 ( -4.776 -6.442 0.000) 8.019 29.174 ( 4.776 -6.442 0.000) 8.019 29.256 ( -4.394 -4.710 0.000) 6.441 29.256 ( 4.394 -4.710 0.000) 6.441 ======================= Grid point 55 (19/36) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 0.000 0.000 56.348) 56.348 1.348 ( 0.000 0.000 57.907) 57.907 1.894 ( 0.000 0.000 23.889) 23.889 2.032 ( 0.000 0.000 83.319) 83.319 2.522 ( 0.000 0.000 -40.835) 40.835 2.625 ( 0.000 0.000 -43.392) 43.392 2.629 ( 0.000 0.000 -23.194) 23.194 2.930 ( 0.000 0.000 3.424) 3.424 3.015 ( 0.000 0.000 11.849) 11.849 3.106 ( 0.000 0.000 15.018) 15.018 3.124 ( 0.000 0.000 -3.290) 3.290 3.199 ( 0.000 0.000 10.616) 10.616 3.218 ( 0.000 0.000 -17.638) 17.638 3.361 ( 0.000 0.000 -8.205) 8.205 3.522 ( 0.000 0.000 -8.777) 8.777 3.548 ( 0.000 0.000 -2.873) 2.873 3.614 ( 0.000 0.000 -0.007) 0.007 3.936 ( 0.000 0.000 8.934) 8.934 3.965 ( 0.000 0.000 -39.948) 39.948 4.010 ( 0.000 0.000 10.205) 10.205 4.266 ( 0.000 0.000 -9.871) 9.871 4.475 ( 0.000 0.000 7.299) 7.299 4.558 ( 0.000 0.000 -42.812) 42.812 4.642 ( 0.000 0.000 -12.216) 12.216 5.095 ( 0.000 0.000 -3.558) 3.558 5.103 ( 0.000 0.000 4.650) 4.650 5.139 ( 0.000 0.000 1.364) 1.364 5.226 ( 0.000 0.000 -3.344) 3.344 5.265 ( 0.000 0.000 13.497) 13.497 5.556 ( 0.000 0.000 8.221) 8.221 5.559 ( 0.000 0.000 -8.448) 8.448 5.623 ( 0.000 0.000 29.773) 29.773 5.654 ( 0.000 0.000 5.409) 5.409 5.670 ( 0.000 0.000 -6.634) 6.634 5.678 ( 0.000 0.000 -1.186) 1.186 5.736 ( 0.000 0.000 23.382) 23.382 6.032 ( 0.000 0.000 7.793) 7.793 6.231 ( 0.000 0.000 -7.450) 7.450 6.324 ( 0.000 0.000 -15.340) 15.340 6.356 ( 0.000 0.000 9.195) 9.195 6.392 ( 0.000 0.000 -15.180) 15.180 6.509 ( 0.000 0.000 -5.826) 5.826 6.555 ( 0.000 0.000 -8.142) 8.142 6.623 ( 0.000 0.000 -9.448) 9.448 6.770 ( 0.000 0.000 -9.032) 9.032 6.902 ( 0.000 0.000 -9.063) 9.063 6.956 ( 0.000 0.000 4.125) 4.125 7.017 ( 0.000 0.000 -1.222) 1.222 7.235 ( 0.000 0.000 4.063) 4.063 7.277 ( 0.000 0.000 13.014) 13.014 7.304 ( 0.000 0.000 5.346) 5.346 7.313 ( 0.000 0.000 9.791) 9.791 7.478 ( 0.000 0.000 11.706) 11.706 7.478 ( 0.000 0.000 18.512) 18.512 7.498 ( 0.000 0.000 2.199) 2.199 7.785 ( 0.000 0.000 -6.152) 6.152 7.944 ( 0.000 0.000 -9.715) 9.715 7.960 ( 0.000 0.000 -4.733) 4.733 8.005 ( 0.000 0.000 28.262) 28.262 8.074 ( 0.000 0.000 8.191) 8.191 8.091 ( 0.000 0.000 4.246) 4.246 8.131 ( 0.000 0.000 2.633) 2.633 8.246 ( 0.000 0.000 -2.316) 2.316 8.339 ( 0.000 0.000 9.160) 9.160 8.422 ( 0.000 0.000 8.790) 8.790 8.441 ( 0.000 0.000 -3.190) 3.190 8.469 ( 0.000 0.000 0.945) 0.945 8.571 ( 0.000 0.000 -11.193) 11.193 8.656 ( 0.000 0.000 -7.606) 7.606 8.728 ( 0.000 0.000 -15.443) 15.443 8.804 ( 0.000 0.000 -19.050) 19.050 8.887 ( 0.000 0.000 -23.259) 23.259 8.945 ( 0.000 0.000 23.125) 23.125 9.028 ( 0.000 0.000 3.663) 3.663 9.089 ( 0.000 0.000 -11.141) 11.141 9.509 ( 0.000 0.000 14.466) 14.466 9.560 ( 0.000 0.000 -19.077) 19.077 9.613 ( 0.000 0.000 5.453) 5.453 9.683 ( 0.000 0.000 9.555) 9.555 9.865 ( 0.000 0.000 1.742) 1.742 9.893 ( 0.000 0.000 -10.395) 10.395 9.922 ( 0.000 0.000 -7.816) 7.816 9.934 ( 0.000 0.000 -6.946) 6.946 10.023 ( 0.000 0.000 -13.615) 13.615 10.220 ( 0.000 0.000 15.143) 15.143 10.323 ( 0.000 0.000 10.260) 10.260 10.429 ( 0.000 0.000 16.824) 16.824 10.500 ( 0.000 0.000 -1.315) 1.315 10.661 ( 0.000 0.000 -14.270) 14.270 10.723 ( 0.000 0.000 -3.226) 3.226 11.647 ( 0.000 0.000 -2.547) 2.547 11.670 ( 0.000 0.000 1.642) 1.642 11.705 ( 0.000 0.000 -4.411) 4.411 11.718 ( 0.000 0.000 -0.085) 0.085 11.886 ( 0.000 0.000 5.624) 5.624 11.993 ( 0.000 0.000 2.438) 2.438 12.144 ( 0.000 0.000 0.538) 0.538 12.202 ( 0.000 0.000 -2.820) 2.820 12.308 ( 0.000 0.000 12.806) 12.806 12.578 ( 0.000 0.000 -9.787) 9.787 12.589 ( 0.000 0.000 17.887) 17.887 12.674 ( 0.000 0.000 -0.301) 0.301 12.710 ( 0.000 0.000 2.865) 2.865 12.811 ( 0.000 0.000 13.276) 13.276 13.162 ( 0.000 0.000 -16.172) 16.172 13.181 ( 0.000 0.000 -24.016) 24.016 13.820 ( 0.000 0.000 13.121) 13.121 13.871 ( 0.000 0.000 5.570) 5.570 13.997 ( 0.000 0.000 -4.242) 4.242 14.132 ( 0.000 0.000 -12.631) 12.631 14.242 ( 0.000 0.000 16.480) 16.480 14.459 ( 0.000 0.000 -0.337) 0.337 14.492 ( 0.000 0.000 13.490) 13.490 14.733 ( 0.000 0.000 -0.145) 0.145 14.786 ( 0.000 0.000 -10.830) 10.830 14.865 ( 0.000 0.000 -13.098) 13.098 15.418 ( 0.000 0.000 1.683) 1.683 15.473 ( 0.000 0.000 -2.723) 2.723 15.689 ( 0.000 0.000 10.313) 10.313 15.704 ( 0.000 0.000 1.391) 1.391 15.712 ( 0.000 0.000 1.244) 1.244 15.835 ( 0.000 0.000 -0.440) 0.440 15.858 ( 0.000 0.000 -2.620) 2.620 15.890 ( 0.000 0.000 -6.959) 6.959 16.000 ( 0.000 0.000 2.305) 2.305 16.044 ( 0.000 0.000 -1.195) 1.195 16.294 ( 0.000 0.000 3.238) 3.238 16.395 ( 0.000 0.000 -4.869) 4.869 16.439 ( 0.000 0.000 2.146) 2.146 16.478 ( 0.000 0.000 -1.019) 1.019 16.526 ( 0.000 0.000 3.949) 3.949 16.573 ( 0.000 0.000 0.583) 0.583 16.901 ( 0.000 0.000 -4.352) 4.352 16.914 ( 0.000 0.000 -4.238) 4.238 16.930 ( 0.000 0.000 13.267) 13.267 17.324 ( 0.000 0.000 -20.580) 20.580 18.376 ( 0.000 0.000 22.933) 22.933 18.842 ( 0.000 0.000 -17.013) 17.013 18.857 ( 0.000 0.000 16.442) 16.442 19.224 ( 0.000 0.000 -14.393) 14.393 19.890 ( 0.000 0.000 1.933) 1.933 19.968 ( 0.000 0.000 -5.105) 5.105 20.068 ( 0.000 0.000 12.791) 12.791 20.077 ( 0.000 0.000 4.434) 4.434 20.115 ( 0.000 0.000 6.585) 6.585 20.185 ( 0.000 0.000 -3.203) 3.203 20.256 ( 0.000 0.000 -4.985) 4.985 20.337 ( 0.000 0.000 -8.147) 8.147 20.600 ( 0.000 0.000 2.905) 2.905 20.602 ( 0.000 0.000 15.727) 15.727 20.761 ( 0.000 0.000 -10.737) 10.737 20.992 ( 0.000 0.000 -18.053) 18.053 21.617 ( 0.000 0.000 12.117) 12.117 21.743 ( 0.000 0.000 11.665) 11.665 21.848 ( 0.000 0.000 -7.613) 7.613 21.938 ( 0.000 0.000 -5.515) 5.515 22.190 ( 0.000 0.000 1.104) 1.104 22.221 ( 0.000 0.000 -1.415) 1.415 22.274 ( 0.000 0.000 1.077) 1.077 22.297 ( 0.000 0.000 -0.806) 0.806 25.434 ( 0.000 0.000 0.136) 0.136 25.437 ( 0.000 0.000 -0.173) 0.173 25.666 ( 0.000 0.000 1.279) 1.279 25.701 ( 0.000 0.000 -1.538) 1.538 25.859 ( 0.000 0.000 2.489) 2.489 25.911 ( 0.000 0.000 -1.734) 1.734 26.046 ( 0.000 0.000 0.284) 0.284 26.052 ( 0.000 0.000 -0.227) 0.227 26.362 ( 0.000 0.000 2.876) 2.876 26.443 ( 0.000 0.000 -3.916) 3.916 26.473 ( 0.000 0.000 -0.074) 0.074 26.500 ( 0.000 0.000 -2.723) 2.723 26.627 ( 0.000 0.000 2.120) 2.120 26.664 ( 0.000 0.000 -1.076) 1.076 26.901 ( 0.000 0.000 7.279) 7.279 27.048 ( 0.000 0.000 -4.984) 4.984 27.783 ( 0.000 0.000 4.877) 4.877 27.918 ( 0.000 0.000 -0.614) 0.614 27.926 ( 0.000 0.000 -0.850) 0.850 27.929 ( 0.000 0.000 -7.549) 7.549 28.110 ( 0.000 0.000 5.013) 5.013 28.201 ( 0.000 0.000 -2.662) 2.662 28.428 ( 0.000 0.000 8.803) 8.803 28.622 ( 0.000 0.000 -7.658) 7.658 29.096 ( 0.000 0.000 1.601) 1.601 29.157 ( 0.000 0.000 -3.493) 3.493 29.358 ( 0.000 0.000 8.239) 8.239 29.559 ( 0.000 0.000 -8.449) 8.449 29.772 ( 0.000 0.000 3.456) 3.456 29.840 ( 0.000 0.000 -2.171) 2.171 30.196 ( 0.000 0.000 5.307) 5.307 30.303 ( 0.000 0.000 -3.583) 3.583 ======================= Grid point 56 (20/36) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 15.617 0.000 36.894) 40.063 1.452 ( 8.448 0.000 44.013) 44.817 1.935 ( 5.499 0.000 21.227) 21.927 2.389 ( -13.198 0.000 -36.296) 38.621 2.408 ( -7.615 0.000 -27.513) 28.547 2.623 ( -1.218 0.000 -18.727) 18.767 2.641 ( 15.478 0.000 27.984) 31.979 3.010 ( 0.256 0.000 5.709) 5.715 3.028 ( -21.066 0.000 -14.374) 25.503 3.033 ( 4.303 0.000 16.482) 17.035 3.068 ( 19.251 0.000 19.981) 27.746 3.282 ( 9.717 0.000 13.438) 16.583 3.310 ( 1.484 0.000 -3.600) 3.894 3.352 ( 21.470 0.000 -1.930) 21.557 3.482 ( 1.361 0.000 -0.952) 1.661 3.631 ( 2.966 0.000 5.626) 6.360 3.702 ( 3.601 0.000 -4.460) 5.732 3.994 ( 5.481 0.000 -12.753) 13.881 4.094 ( -21.149 0.000 -3.120) 21.378 4.156 ( 1.678 0.000 10.776) 10.905 4.293 ( 24.262 0.000 12.862) 27.461 4.485 ( 11.704 0.000 -31.390) 33.501 4.577 ( -1.912 0.000 -18.123) 18.224 4.693 ( 4.309 0.000 -18.491) 18.986 4.936 ( -17.030 0.000 -2.485) 17.211 5.003 ( 2.585 0.000 -17.190) 17.383 5.138 ( -0.894 0.000 1.707) 1.926 5.212 ( -7.327 0.000 9.144) 11.717 5.246 ( 7.194 0.000 -2.376) 7.577 5.474 ( -6.961 0.000 -7.771) 10.433 5.537 ( -0.703 0.000 26.376) 26.385 5.592 ( -7.691 0.000 10.811) 13.268 5.724 ( 3.234 0.000 10.612) 11.094 5.727 ( 3.756 0.000 4.136) 5.587 5.792 ( 9.863 0.000 -3.213) 10.373 5.907 ( 10.968 0.000 -4.817) 11.979 6.068 ( -8.365 0.000 1.249) 8.457 6.241 ( 2.474 0.000 -2.785) 3.725 6.268 ( -5.173 0.000 -15.530) 16.369 6.364 ( -4.631 0.000 -17.648) 18.245 6.389 ( -2.456 0.000 1.013) 2.657 6.455 ( -10.506 0.000 10.173) 14.624 6.508 ( 3.515 0.000 -0.502) 3.550 6.678 ( 1.274 0.000 -7.151) 7.264 6.771 ( 9.544 0.000 -14.532) 17.386 6.824 ( 4.958 0.000 -17.144) 17.847 6.969 ( -0.029 0.000 4.122) 4.122 7.060 ( -0.552 0.000 -3.352) 3.398 7.112 ( -0.289 0.000 3.180) 3.193 7.158 ( -0.922 0.000 -3.153) 3.285 7.424 ( -0.889 0.000 9.699) 9.739 7.442 ( 0.051 0.000 12.953) 12.953 7.521 ( 4.453 0.000 6.605) 7.966 7.535 ( 4.800 0.000 13.966) 14.768 7.617 ( 0.997 0.000 10.986) 11.032 7.826 ( -0.349 0.000 -3.416) 3.434 7.840 ( -1.211 0.000 21.355) 21.389 7.887 ( -3.764 0.000 -9.068) 9.819 7.939 ( -2.559 0.000 -9.328) 9.672 7.967 ( -7.000 0.000 4.452) 8.296 8.141 ( -2.953 0.000 2.262) 3.719 8.213 ( 7.878 0.000 -7.911) 11.165 8.289 ( 4.509 0.000 14.331) 15.023 8.321 ( -1.428 0.000 5.820) 5.993 8.394 ( 3.734 0.000 1.815) 4.152 8.412 ( -2.085 0.000 -5.328) 5.721 8.506 ( -2.615 0.000 -5.179) 5.802 8.601 ( 9.856 0.000 -1.313) 9.943 8.637 ( -2.088 0.000 5.843) 6.205 8.734 ( 1.358 0.000 -10.195) 10.285 8.770 ( -2.859 0.000 -7.846) 8.350 8.904 ( -1.211 0.000 -12.940) 12.996 8.945 ( -5.769 0.000 0.590) 5.799 9.136 ( 8.332 0.000 -11.758) 14.411 9.137 ( 9.763 0.000 4.864) 10.908 9.386 ( -8.731 0.000 -7.904) 11.778 9.482 ( -3.058 0.000 9.899) 10.360 9.590 ( -4.510 0.000 2.995) 5.414 9.706 ( 3.469 0.000 9.186) 9.819 9.883 ( -0.406 0.000 -5.138) 5.154 9.952 ( 6.575 0.000 5.856) 8.805 10.034 ( 9.559 0.000 -4.527) 10.576 10.058 ( 10.679 0.000 -6.054) 12.276 10.070 ( 3.391 0.000 -6.363) 7.210 10.196 ( -10.201 0.000 11.889) 15.665 10.294 ( 4.423 0.000 9.946) 10.885 10.439 ( -3.033 0.000 0.408) 3.060 10.513 ( 8.045 0.000 9.352) 12.337 10.792 ( 12.092 0.000 -16.585) 20.525 10.810 ( 6.654 0.000 -10.621) 12.533 11.399 ( -8.391 0.000 0.801) 8.429 11.492 ( -8.110 0.000 -5.012) 9.534 11.801 ( 1.983 0.000 3.865) 4.344 11.843 ( 0.447 0.000 5.880) 5.897 11.941 ( 4.005 0.000 -1.390) 4.239 12.006 ( -1.057 0.000 1.534) 1.863 12.195 ( 4.824 0.000 0.005) 4.824 12.240 ( 3.904 0.000 -1.902) 4.343 12.408 ( 8.521 0.000 12.019) 14.733 12.516 ( -5.782 0.000 17.427) 18.361 12.614 ( 3.038 0.000 -3.972) 5.000 12.718 ( 3.597 0.000 -6.712) 7.615 12.772 ( 4.941 0.000 4.662) 6.793 12.876 ( 4.776 0.000 11.185) 12.162 13.139 ( -3.790 0.000 -19.016) 19.390 13.198 ( 1.682 0.000 -17.690) 17.770 13.689 ( -7.775 0.000 9.990) 12.659 13.834 ( -0.357 0.000 -3.650) 3.667 14.026 ( 0.661 0.000 9.835) 9.857 14.182 ( 3.309 0.000 -7.915) 8.578 14.271 ( 2.879 0.000 8.769) 9.230 14.431 ( -3.878 0.000 -0.003) 3.878 14.512 ( 1.056 0.000 11.453) 11.502 14.737 ( -0.619 0.000 1.191) 1.342 14.806 ( 1.860 0.000 -11.024) 11.180 14.933 ( -0.475 0.000 -19.486) 19.491 15.346 ( -7.891 0.000 0.998) 7.954 15.382 ( -9.636 0.000 -1.484) 9.749 15.505 ( -11.882 0.000 5.463) 13.077 15.581 ( -10.172 0.000 0.305) 10.177 15.640 ( -12.626 0.000 1.751) 12.746 15.729 ( -9.852 0.000 -3.155) 10.345 15.855 ( 2.309 0.000 5.481) 5.948 15.982 ( -4.946 0.000 -3.337) 5.966 15.990 ( 1.067 0.000 0.787) 1.326 16.049 ( 5.886 0.000 -4.549) 7.439 16.174 ( -8.652 0.000 2.100) 8.903 16.212 ( -5.215 0.000 -0.687) 5.260 16.374 ( -7.143 0.000 0.685) 7.176 16.407 ( -6.718 0.000 -2.086) 7.035 16.684 ( 10.608 0.000 6.115) 12.244 16.736 ( 13.115 0.000 2.478) 13.347 16.831 ( -6.843 0.000 15.448) 16.896 17.095 ( 17.350 0.000 -5.289) 18.138 17.178 ( 17.841 0.000 -16.671) 24.418 17.266 ( -5.572 0.000 -22.180) 22.869 18.344 ( -1.229 0.000 22.065) 22.099 18.787 ( -5.734 0.000 16.223) 17.207 18.792 ( -4.329 0.000 -17.141) 17.679 19.125 ( -6.808 0.000 -11.093) 13.016 19.904 ( -8.695 0.000 8.347) 12.053 19.915 ( 1.257 0.000 1.367) 1.857 19.961 ( -6.182 0.000 3.570) 7.139 20.109 ( 4.462 0.000 -1.245) 4.632 20.136 ( 7.861 0.000 -3.760) 8.714 20.241 ( -9.544 0.000 -11.424) 14.886 20.326 ( -1.235 0.000 11.918) 11.982 20.348 ( 3.434 0.000 9.835) 10.418 20.518 ( 1.279 0.000 -3.365) 3.599 20.663 ( 9.166 0.000 -2.376) 9.469 20.767 ( 0.095 0.000 -4.640) 4.641 21.042 ( 4.535 0.000 -15.866) 16.501 21.524 ( -11.686 0.000 10.976) 16.033 21.526 ( -4.348 0.000 8.962) 9.961 21.926 ( -2.179 0.000 17.416) 17.552 22.112 ( 10.938 0.000 -1.349) 11.021 22.164 ( 19.357 0.000 -2.773) 19.554 22.219 ( 5.735 0.000 -6.665) 8.792 22.411 ( 5.927 0.000 1.590) 6.136 22.446 ( 2.382 0.000 -1.350) 2.738 25.443 ( 0.916 0.000 0.177) 0.932 25.448 ( 0.984 0.000 -0.205) 1.005 25.683 ( 1.026 0.000 0.589) 1.183 25.698 ( -1.056 0.000 -0.567) 1.199 25.825 ( -2.415 0.000 3.216) 4.021 25.877 ( -2.888 0.000 -1.272) 3.156 26.008 ( -3.909 0.000 0.284) 3.919 26.018 ( -3.411 0.000 -0.465) 3.443 26.390 ( 3.080 0.000 3.218) 4.454 26.482 ( 3.525 0.000 -4.125) 5.426 26.564 ( 5.820 0.000 0.058) 5.820 26.648 ( 10.752 0.000 -8.124) 13.476 26.662 ( 3.569 0.000 1.469) 3.860 26.692 ( 2.981 0.000 -1.038) 3.157 26.906 ( 0.509 0.000 6.303) 6.323 27.029 ( -1.471 0.000 -4.226) 4.475 27.830 ( 2.782 0.000 4.712) 5.472 27.905 ( -1.623 0.000 -0.663) 1.753 27.916 ( 2.187 0.000 -0.937) 2.379 27.974 ( 4.378 0.000 -6.652) 7.964 28.122 ( 1.212 0.000 4.015) 4.194 28.200 ( -0.003 0.000 -2.389) 2.389 28.456 ( 2.656 0.000 8.335) 8.748 28.653 ( 2.439 0.000 -9.122) 9.443 29.095 ( -0.097 0.000 1.397) 1.401 29.152 ( -0.498 0.000 -3.354) 3.390 29.307 ( -4.927 0.000 6.721) 8.333 29.450 ( -9.333 0.000 -4.498) 10.360 29.642 ( -16.468 0.000 10.430) 19.493 29.735 ( -4.820 0.000 -2.036) 5.232 30.062 ( -11.635 0.000 3.396) 12.120 30.079 ( -12.119 0.000 2.417) 12.358 ======================= Grid point 57 (21/36) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 0.811 0.000 14.907) 14.929 1.782 ( 21.965 0.000 -8.867) 23.688 2.096 ( -24.207 0.000 3.526) 24.463 2.149 ( 15.409 0.000 19.246) 24.654 2.302 ( 4.161 0.000 -6.206) 7.471 2.489 ( 1.102 0.000 -17.267) 17.302 2.492 ( -29.241 0.000 -13.301) 32.124 2.685 ( -4.782 0.000 -9.903) 10.997 2.914 ( -10.893 0.000 5.525) 12.214 3.086 ( 5.730 0.000 -10.829) 12.252 3.303 ( -2.022 0.000 8.449) 8.688 3.345 ( 1.691 0.000 9.367) 9.519 3.470 ( -3.917 0.000 11.632) 12.274 3.496 ( -6.577 0.000 6.243) 9.068 3.661 ( -0.334 0.000 -4.209) 4.222 3.681 ( -0.944 0.000 12.495) 12.531 4.028 ( 23.876 0.000 9.872) 25.836 4.057 ( 27.859 0.000 -3.161) 28.038 4.106 ( 6.177 0.000 -0.330) 6.186 4.233 ( 6.102 0.000 6.425) 8.861 4.468 ( -7.470 0.000 -16.588) 18.192 4.472 ( -4.766 0.000 1.225) 4.921 4.696 ( -5.199 0.000 -2.760) 5.887 4.767 ( 14.546 0.000 6.578) 15.964 4.818 ( -25.097 0.000 12.478) 28.027 4.899 ( 12.450 0.000 -6.887) 14.227 5.058 ( 2.434 0.000 10.513) 10.791 5.199 ( 8.322 0.000 -2.934) 8.824 5.265 ( -14.448 0.000 -1.929) 14.576 5.341 ( -12.429 0.000 -11.268) 16.776 5.432 ( -8.063 0.000 7.028) 10.696 5.481 ( -13.329 0.000 9.726) 16.500 5.627 ( -1.627 0.000 -9.281) 9.422 5.804 ( 7.763 0.000 -13.499) 15.572 5.914 ( 2.826 0.000 4.097) 4.977 5.984 ( 12.244 0.000 -14.839) 19.238 6.116 ( 8.238 0.000 9.326) 12.443 6.172 ( 0.143 0.000 -2.284) 2.289 6.249 ( -4.337 0.000 0.875) 4.424 6.352 ( 11.207 0.000 -2.491) 11.481 6.438 ( 9.110 0.000 -8.183) 12.245 6.500 ( 9.850 0.000 -15.685) 18.521 6.604 ( 1.087 0.000 7.254) 7.335 6.729 ( 1.525 0.000 0.366) 1.568 6.914 ( 5.136 0.000 -8.552) 9.975 6.935 ( 2.857 0.000 -14.344) 14.626 6.962 ( 0.946 0.000 3.989) 4.099 7.026 ( 1.605 0.000 -12.391) 12.494 7.119 ( -3.923 0.000 0.191) 3.927 7.151 ( -0.167 0.000 3.796) 3.799 7.370 ( -4.185 0.000 4.067) 5.836 7.377 ( -4.861 0.000 8.685) 9.952 7.458 ( -4.044 0.000 7.439) 8.467 7.523 ( -5.760 0.000 2.008) 6.100 7.666 ( 1.431 0.000 11.785) 11.871 7.725 ( -4.485 0.000 -11.805) 12.629 7.731 ( -1.904 0.000 -4.028) 4.455 7.856 ( -2.678 0.000 3.467) 4.381 7.976 ( 1.077 0.000 15.822) 15.858 8.066 ( 9.164 0.000 -12.008) 15.105 8.123 ( 3.694 0.000 4.261) 5.640 8.207 ( -4.725 0.000 9.422) 10.540 8.269 ( -3.766 0.000 9.229) 9.968 8.357 ( -2.698 0.000 -18.214) 18.413 8.421 ( 0.577 0.000 8.857) 8.875 8.442 ( 4.325 0.000 -7.148) 8.354 8.460 ( -4.269 0.000 -14.071) 14.704 8.711 ( 3.885 0.000 -2.939) 4.872 8.761 ( 8.586 0.000 -1.258) 8.678 8.796 ( 1.866 0.000 -11.953) 12.098 8.820 ( 7.682 0.000 8.109) 11.170 8.898 ( 3.353 0.000 -14.707) 15.085 8.953 ( 12.235 0.000 10.519) 16.135 9.179 ( -3.520 0.000 13.611) 14.058 9.243 ( -0.689 0.000 0.700) 0.982 9.306 ( 0.562 0.000 6.837) 6.860 9.483 ( 3.177 0.000 2.267) 3.903 9.577 ( 6.687 0.000 -2.912) 7.293 9.771 ( -0.327 0.000 4.656) 4.667 9.849 ( -4.385 0.000 -2.010) 4.824 10.037 ( 0.160 0.000 12.169) 12.170 10.051 ( 3.264 0.000 15.616) 15.953 10.068 ( -1.636 0.000 6.790) 6.985 10.273 ( 13.512 0.000 -2.058) 13.668 10.297 ( 5.525 0.000 -5.574) 7.848 10.383 ( 13.593 0.000 0.591) 13.605 10.491 ( 7.213 0.000 11.073) 13.215 10.725 ( 11.764 0.000 -6.989) 13.684 10.853 ( -4.124 0.000 -14.468) 15.044 11.065 ( 13.834 0.000 -23.530) 27.295 11.408 ( -0.682 0.000 -3.218) 3.290 11.410 ( 7.903 0.000 -6.675) 10.345 11.819 ( 0.928 0.000 3.724) 3.838 11.819 ( -0.696 0.000 5.350) 5.395 11.948 ( -3.831 0.000 2.550) 4.602 11.975 ( -0.090 0.000 -3.048) 3.049 12.301 ( 5.388 0.000 2.714) 6.033 12.345 ( 6.278 0.000 0.020) 6.278 12.365 ( -4.523 0.000 17.550) 18.123 12.610 ( -4.653 0.000 -5.571) 7.258 12.642 ( 10.861 0.000 5.098) 11.998 12.813 ( 5.126 0.000 -8.699) 10.097 12.846 ( 2.559 0.000 2.228) 3.393 12.991 ( -10.122 0.000 -9.320) 13.759 13.010 ( 9.058 0.000 12.790) 15.673 13.192 ( -2.495 0.000 -0.095) 2.496 13.636 ( 0.954 0.000 4.497) 4.598 13.831 ( -1.016 0.000 -12.943) 12.983 14.039 ( 1.821 0.000 10.612) 10.767 14.273 ( 4.635 0.000 -4.385) 6.381 14.289 ( -10.780 0.000 0.594) 10.796 14.293 ( -3.937 0.000 2.132) 4.478 14.528 ( 0.596 0.000 9.345) 9.364 14.680 ( -3.516 0.000 2.764) 4.472 14.764 ( -12.852 0.000 -8.925) 15.647 14.840 ( -1.835 0.000 -10.215) 10.379 15.102 ( -16.162 0.000 -0.139) 16.163 15.121 ( -14.069 0.000 -1.479) 14.146 15.265 ( -10.883 0.000 3.671) 11.486 15.354 ( -12.313 0.000 -3.545) 12.813 15.396 ( -11.454 0.000 6.285) 13.065 15.511 ( -13.676 0.000 -3.175) 14.039 15.783 ( -7.987 0.000 1.007) 8.050 15.796 ( -14.693 0.000 0.554) 14.704 15.866 ( -10.141 0.000 1.879) 10.313 15.900 ( -12.209 0.000 -1.236) 12.271 16.101 ( -12.397 0.000 0.521) 12.408 16.127 ( -9.744 0.000 -1.566) 9.869 16.332 ( 6.887 0.000 -0.005) 6.887 16.433 ( 13.649 0.000 -8.828) 16.255 16.675 ( -5.157 0.000 15.543) 16.376 16.966 ( 14.453 0.000 9.247) 17.158 17.060 ( 9.623 0.000 -5.957) 11.318 17.120 ( 1.266 0.000 -11.217) 11.288 17.502 ( 15.570 0.000 -13.237) 20.437 17.524 ( 24.546 0.000 -9.606) 26.359 18.370 ( 2.058 0.000 13.181) 13.340 18.668 ( -8.871 0.000 -12.719) 15.507 18.726 ( 2.627 0.000 19.056) 19.237 19.096 ( 5.606 0.000 -10.340) 11.762 19.660 ( -14.731 0.000 10.803) 18.268 19.818 ( -22.244 0.000 0.547) 22.251 19.905 ( -0.203 0.000 -0.814) 0.839 19.941 ( -0.597 0.000 -0.656) 0.887 20.264 ( -1.975 0.000 11.513) 11.682 20.293 ( 5.120 0.000 -0.612) 5.156 20.349 ( 11.788 0.000 -11.836) 16.705 20.369 ( 3.269 0.000 5.929) 6.771 20.668 ( 8.002 0.000 -5.066) 9.471 20.712 ( -3.177 0.000 -11.908) 12.325 20.924 ( 12.637 0.000 5.140) 13.643 21.133 ( 5.809 0.000 -8.486) 10.284 21.415 ( -0.099 0.000 12.099) 12.100 21.532 ( 4.862 0.000 3.413) 5.941 22.021 ( 7.854 0.000 12.662) 14.900 22.258 ( 5.649 0.000 -7.235) 9.180 22.389 ( -0.292 0.000 0.782) 0.835 22.398 ( 6.175 0.000 -0.116) 6.177 22.499 ( 4.889 0.000 0.652) 4.932 22.541 ( 11.658 0.000 -2.518) 11.927 25.464 ( 1.086 0.000 0.261) 1.117 25.470 ( 1.124 0.000 -0.218) 1.145 25.659 ( -2.513 0.000 0.669) 2.600 25.684 ( -1.055 0.000 -1.526) 1.855 25.774 ( -2.899 0.000 3.087) 4.234 25.817 ( -3.098 0.000 0.097) 3.099 25.904 ( -6.145 0.000 0.181) 6.147 25.929 ( -5.414 0.000 -1.377) 5.587 26.477 ( 5.587 0.000 3.404) 6.542 26.569 ( 5.140 0.000 -3.733) 6.353 26.679 ( 5.252 0.000 2.053) 5.639 26.756 ( 4.046 0.000 -2.256) 4.633 26.765 ( 6.288 0.000 0.748) 6.333 26.806 ( 4.796 0.000 -3.543) 5.963 26.920 ( 0.892 0.000 4.238) 4.330 27.007 ( -0.656 0.000 -3.859) 3.915 27.866 ( 2.279 0.000 1.868) 2.947 27.885 ( 0.134 0.000 -0.007) 0.134 28.026 ( 7.103 0.000 0.946) 7.166 28.091 ( 7.185 0.000 -4.638) 8.552 28.160 ( 2.860 0.000 1.410) 3.189 28.204 ( 0.393 0.000 -1.781) 1.824 28.524 ( 4.101 0.000 7.145) 8.238 28.699 ( 2.151 0.000 -8.322) 8.595 29.090 ( -0.908 0.000 0.679) 1.134 29.135 ( -1.773 0.000 -3.046) 3.525 29.192 ( -5.702 0.000 4.232) 7.101 29.261 ( -8.403 0.000 -1.176) 8.485 29.356 ( -12.177 0.000 12.064) 17.141 29.562 ( -12.281 0.000 -7.209) 14.240 29.827 ( -11.194 0.000 3.499) 11.728 29.870 ( -10.403 0.000 -0.614) 10.422 ======================= Grid point 58 (22/36) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -4.131 0.000 1.689) 4.463 1.581 ( -23.672 0.000 10.453) 25.877 1.813 ( -9.928 0.000 -21.695) 23.858 1.941 ( -22.456 0.000 -17.360) 28.383 2.296 ( -5.626 0.000 15.786) 16.758 2.481 ( -14.218 0.000 -1.608) 14.308 2.563 ( 16.876 0.000 7.514) 18.473 2.774 ( 2.517 0.000 16.439) 16.630 2.831 ( 22.302 0.000 -13.327) 25.980 3.193 ( 3.710 0.000 -16.568) 16.979 3.223 ( -8.223 0.000 9.691) 12.709 3.305 ( -4.765 0.000 0.745) 4.823 3.324 ( -10.976 0.000 15.531) 19.018 3.468 ( 0.219 0.000 8.395) 8.398 3.675 ( 3.473 0.000 -6.019) 6.949 3.698 ( 6.022 0.000 6.228) 8.664 3.969 ( -16.298 0.000 -11.993) 20.235 4.114 ( -10.446 0.000 -0.710) 10.470 4.157 ( -9.142 0.000 6.398) 11.159 4.247 ( -30.571 0.000 4.536) 30.906 4.376 ( 2.788 0.000 -9.613) 10.010 4.381 ( -1.413 0.000 -5.824) 5.993 4.486 ( -5.875 0.000 -5.982) 8.384 4.508 ( -0.588 0.000 -1.950) 2.037 4.857 ( 0.920 0.000 -0.473) 1.035 4.923 ( -8.389 0.000 -5.180) 9.859 5.099 ( -5.107 0.000 10.333) 11.526 5.196 ( -9.735 0.000 11.821) 15.313 5.234 ( -2.475 0.000 9.110) 9.440 5.321 ( -1.594 0.000 -1.539) 2.215 5.444 ( 16.817 0.000 18.433) 24.952 5.509 ( 10.801 0.000 -6.936) 12.837 5.540 ( 5.680 0.000 -2.772) 6.320 5.892 ( 1.135 0.000 -6.805) 6.899 6.034 ( 10.703 0.000 4.682) 11.682 6.080 ( 3.633 0.000 3.939) 5.358 6.243 ( 5.529 0.000 -3.816) 6.717 6.308 ( 4.258 0.000 -23.473) 23.857 6.321 ( 12.617 0.000 17.742) 21.771 6.523 ( 3.382 0.000 -4.159) 5.360 6.585 ( 5.529 0.000 -5.233) 7.613 6.624 ( -6.053 0.000 -4.506) 7.545 6.732 ( 10.778 0.000 9.972) 14.683 6.752 ( 1.577 0.000 3.258) 3.620 6.870 ( -7.149 0.000 -0.791) 7.193 6.976 ( -3.480 0.000 -9.505) 10.122 7.021 ( 5.796 0.000 7.636) 9.587 7.049 ( -0.163 0.000 2.380) 2.385 7.160 ( 17.950 0.000 -8.600) 19.904 7.234 ( 5.875 0.000 -6.503) 8.764 7.291 ( -3.043 0.000 7.385) 7.988 7.350 ( 3.157 0.000 -2.479) 4.014 7.388 ( -5.095 0.000 -3.851) 6.386 7.452 ( 1.722 0.000 5.877) 6.124 7.528 ( -5.398 0.000 -6.047) 8.106 7.740 ( 1.766 0.000 -7.255) 7.467 7.807 ( -4.765 0.000 8.834) 10.037 7.870 ( -0.646 0.000 8.406) 8.430 7.948 ( 11.105 0.000 -11.861) 16.248 8.120 ( -2.379 0.000 -3.286) 4.056 8.152 ( 0.594 0.000 5.538) 5.570 8.185 ( 0.909 0.000 -2.040) 2.233 8.264 ( -1.985 0.000 1.761) 2.654 8.285 ( -3.256 0.000 -20.500) 20.757 8.381 ( 2.814 0.000 -11.117) 11.468 8.483 ( 1.838 0.000 -15.705) 15.812 8.484 ( 5.355 0.000 8.959) 10.438 8.777 ( 1.154 0.000 -4.966) 5.098 8.862 ( 6.934 0.000 -5.824) 9.055 8.867 ( 1.326 0.000 -1.040) 1.685 8.968 ( 2.299 0.000 3.443) 4.140 8.985 ( 6.140 0.000 -0.169) 6.142 9.091 ( 11.354 0.000 3.357) 11.839 9.156 ( -5.865 0.000 5.741) 8.207 9.318 ( 4.110 0.000 9.982) 10.795 9.349 ( 3.025 0.000 6.055) 6.768 9.596 ( -10.419 0.000 -1.483) 10.524 9.648 ( 17.506 0.000 16.402) 23.989 9.700 ( -2.935 0.000 3.281) 4.402 9.911 ( 9.680 0.000 5.959) 11.367 10.099 ( 3.258 0.000 13.389) 13.780 10.109 ( 8.876 0.000 15.396) 17.772 10.224 ( 14.384 0.000 5.917) 15.554 10.256 ( -6.187 0.000 10.768) 12.418 10.533 ( 11.261 0.000 -2.922) 11.634 10.543 ( -9.252 0.000 -11.571) 14.816 10.766 ( 6.358 0.000 -3.187) 7.112 10.859 ( 28.497 0.000 1.051) 28.516 10.915 ( 8.262 0.000 -18.439) 20.205 11.245 ( 3.820 0.000 -21.768) 22.100 11.487 ( 9.153 0.000 -3.908) 9.953 11.571 ( 4.830 0.000 -8.100) 9.431 11.773 ( -9.000 0.000 8.385) 12.301 11.846 ( -0.242 0.000 -0.469) 0.528 11.928 ( 5.301 0.000 -0.632) 5.338 11.966 ( 2.844 0.000 -0.805) 2.956 12.368 ( 6.274 0.000 0.879) 6.335 12.401 ( -6.512 0.000 2.529) 6.986 12.466 ( 11.496 0.000 4.191) 12.236 12.523 ( 3.148 0.000 -5.542) 6.374 12.804 ( -6.253 0.000 3.746) 7.289 12.809 ( 5.752 0.000 0.207) 5.755 12.859 ( -3.040 0.000 2.002) 3.640 12.914 ( 3.699 0.000 -0.126) 3.701 13.152 ( -1.428 0.000 9.818) 9.921 13.174 ( 6.882 0.000 5.844) 9.029 13.602 ( -5.054 0.000 5.028) 7.129 13.758 ( -9.930 0.000 -8.151) 12.847 13.980 ( -17.651 0.000 1.551) 17.719 14.011 ( -21.003 0.000 -1.161) 21.035 14.119 ( 2.476 0.000 -3.916) 4.633 14.224 ( -15.012 0.000 -10.188) 18.142 14.482 ( -3.955 0.000 6.364) 7.493 14.565 ( -0.996 0.000 0.728) 1.233 14.674 ( -12.692 0.000 -0.249) 12.694 14.722 ( 2.026 0.000 2.165) 2.965 14.781 ( -10.886 0.000 4.423) 11.751 14.999 ( -0.616 0.000 -7.233) 7.260 15.123 ( -4.070 0.000 -0.766) 4.141 15.149 ( -8.417 0.000 -1.986) 8.648 15.173 ( -18.159 0.000 1.284) 18.204 15.177 ( -10.969 0.000 1.030) 11.017 15.461 ( -16.586 0.000 6.442) 17.793 15.582 ( -12.003 0.000 -2.368) 12.234 15.686 ( -7.199 0.000 -2.428) 7.597 15.687 ( -9.320 0.000 -0.945) 9.368 15.878 ( -9.480 0.000 2.519) 9.809 15.907 ( -10.424 0.000 -0.235) 10.427 16.494 ( 7.013 0.000 4.035) 8.091 16.603 ( -2.113 0.000 11.621) 11.812 16.668 ( 9.035 0.000 -10.604) 13.931 16.931 ( -6.390 0.000 -15.136) 16.429 17.269 ( 16.163 0.000 11.096) 19.605 17.493 ( 20.092 0.000 -1.935) 20.185 17.821 ( 17.221 0.000 -3.961) 17.671 17.996 ( 22.151 0.000 -11.625) 25.016 18.352 ( -3.327 0.000 3.750) 5.014 18.467 ( -10.626 0.000 -6.192) 12.299 18.935 ( 16.605 0.000 19.351) 25.499 19.264 ( 1.575 0.000 -0.686) 1.718 19.364 ( -22.592 0.000 3.405) 22.847 19.417 ( -1.474 0.000 -8.126) 8.258 19.918 ( 1.083 0.000 -0.447) 1.171 19.943 ( -0.484 0.000 0.593) 0.765 20.226 ( -2.049 0.000 9.328) 9.551 20.313 ( -1.109 0.000 6.023) 6.124 20.445 ( -0.265 0.000 -4.388) 4.396 20.480 ( -0.449 0.000 -11.046) 11.055 20.723 ( 7.100 0.000 -2.519) 7.534 20.845 ( 11.971 0.000 -7.878) 14.330 21.129 ( 7.862 0.000 7.660) 10.977 21.299 ( 8.838 0.000 -6.574) 11.014 21.462 ( 5.246 0.000 13.981) 14.932 21.679 ( 9.396 0.000 -4.268) 10.320 22.143 ( 3.428 0.000 8.781) 9.426 22.326 ( 0.796 0.000 -6.641) 6.689 22.371 ( 0.303 0.000 2.013) 2.036 22.424 ( -0.765 0.000 -2.204) 2.333 22.592 ( 2.332 0.000 4.469) 5.041 22.702 ( 3.536 0.000 -4.308) 5.574 25.483 ( 0.865 0.000 0.326) 0.925 25.489 ( 0.847 0.000 -0.147) 0.859 25.609 ( -2.465 0.000 0.942) 2.639 25.645 ( -2.718 0.000 -2.213) 3.505 25.716 ( -2.765 0.000 2.657) 3.834 25.759 ( -2.742 0.000 0.849) 2.871 25.790 ( -5.077 0.000 -0.528) 5.104 25.820 ( -5.410 0.000 -1.522) 5.620 26.597 ( 6.301 0.000 2.948) 6.957 26.672 ( 5.133 0.000 -2.771) 5.833 26.768 ( 3.813 0.000 1.492) 4.095 26.827 ( 2.441 0.000 -2.413) 3.433 26.870 ( 2.699 0.000 0.335) 2.720 26.872 ( 4.132 0.000 0.058) 4.133 26.941 ( 1.256 0.000 2.581) 2.870 27.002 ( -0.045 0.000 -2.923) 2.924 27.918 ( 3.088 0.000 0.855) 3.204 27.932 ( 4.163 0.000 -0.138) 4.166 28.129 ( 2.429 0.000 2.218) 3.289 28.186 ( -0.082 0.000 -2.187) 2.189 28.264 ( 8.210 0.000 -0.880) 8.257 28.270 ( 8.585 0.000 -1.743) 8.760 28.613 ( 4.906 0.000 5.454) 7.336 28.742 ( 2.445 0.000 -5.823) 6.315 29.013 ( -6.503 0.000 0.594) 6.530 29.039 ( -7.025 0.000 -1.607) 7.206 29.104 ( -6.959 0.000 5.345) 8.774 29.167 ( -4.019 0.000 -0.785) 4.095 29.192 ( -1.442 0.000 4.273) 4.510 29.319 ( -9.631 0.000 -5.745) 11.214 29.627 ( -9.374 0.000 2.339) 9.662 29.664 ( -10.383 0.000 -0.915) 10.423 ======================= Grid point 59 (23/36) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 3.989 0.000 10.893) 11.600 1.480 ( 2.921 0.000 0.476) 2.960 1.690 ( -0.478 0.000 -13.297) 13.305 1.714 ( 0.165 0.000 -16.550) 16.551 2.053 ( -14.221 0.000 9.761) 17.249 2.166 ( -14.288 0.000 -0.354) 14.292 2.646 ( -19.390 0.000 23.729) 30.644 2.856 ( 1.408 0.000 15.037) 15.102 3.020 ( -39.791 0.000 -3.556) 39.950 3.135 ( 3.486 0.000 2.839) 4.496 3.154 ( 4.067 0.000 2.595) 4.824 3.159 ( 8.937 0.000 -8.853) 12.579 3.215 ( -3.226 0.000 -3.709) 4.915 3.274 ( 4.211 0.000 -9.324) 10.231 3.574 ( -9.098 0.000 5.697) 10.735 3.709 ( -5.302 0.000 -4.012) 6.648 3.928 ( -4.831 0.000 12.429) 13.335 3.993 ( 1.659 0.000 -5.162) 5.422 4.032 ( 9.395 0.000 -13.762) 16.663 4.060 ( 1.435 0.000 3.312) 3.610 4.306 ( -9.470 0.000 -8.314) 12.602 4.356 ( -6.426 0.000 6.167) 8.906 4.372 ( 0.261 0.000 -11.410) 11.413 4.514 ( 0.545 0.000 -3.284) 3.329 4.749 ( -7.739 0.000 1.168) 7.827 4.814 ( -1.377 0.000 -2.213) 2.606 4.964 ( -7.235 0.000 6.386) 9.650 4.986 ( -10.391 0.000 3.244) 10.886 5.191 ( 4.855 0.000 14.859) 15.632 5.313 ( 4.036 0.000 0.011) 4.036 5.608 ( -1.387 0.000 0.588) 1.506 5.680 ( -0.135 0.000 4.767) 4.769 5.706 ( 13.201 0.000 -1.676) 13.307 5.970 ( 6.098 0.000 -1.993) 6.416 6.155 ( -3.232 0.000 -0.788) 3.326 6.210 ( -0.691 0.000 6.857) 6.892 6.299 ( -0.053 0.000 -8.910) 8.910 6.390 ( 6.902 0.000 -5.936) 9.104 6.406 ( -8.038 0.000 0.785) 8.076 6.441 ( 3.363 0.000 -12.254) 12.707 6.603 ( 7.349 0.000 3.710) 8.233 6.674 ( 0.339 0.000 -1.749) 1.781 6.733 ( -0.481 0.000 -2.649) 2.693 6.761 ( -0.002 0.000 -0.429) 0.429 6.894 ( 1.692 0.000 2.061) 2.667 6.946 ( -1.051 0.000 -5.198) 5.303 6.977 ( -6.044 0.000 7.652) 9.751 7.166 ( -8.142 0.000 -4.569) 9.336 7.237 ( 4.099 0.000 8.218) 9.183 7.363 ( 6.324 0.000 6.267) 8.903 7.369 ( 8.056 0.000 13.971) 16.127 7.433 ( 13.918 0.000 4.273) 14.559 7.452 ( 0.808 0.000 1.698) 1.880 7.472 ( 0.220 0.000 2.179) 2.190 7.601 ( 10.113 0.000 -1.758) 10.264 7.663 ( -7.018 0.000 13.728) 15.418 7.775 ( -5.850 0.000 5.813) 8.246 7.809 ( 4.314 0.000 -15.509) 16.098 8.035 ( -4.577 0.000 -14.726) 15.421 8.062 ( -5.051 0.000 -11.066) 12.164 8.183 ( 2.595 0.000 -3.431) 4.302 8.186 ( 0.988 0.000 -9.153) 9.206 8.302 ( 6.235 0.000 3.542) 7.171 8.336 ( 5.501 0.000 -7.255) 9.104 8.475 ( 0.339 0.000 -15.858) 15.862 8.573 ( 4.269 0.000 2.278) 4.839 8.687 ( 17.855 0.000 -1.736) 17.939 8.775 ( -0.155 0.000 -1.649) 1.656 8.848 ( 4.450 0.000 -4.099) 6.050 8.943 ( -0.231 0.000 -3.337) 3.345 9.056 ( -3.956 0.000 15.816) 16.303 9.144 ( 8.932 0.000 1.294) 9.025 9.228 ( 18.198 0.000 -1.745) 18.281 9.280 ( 3.936 0.000 5.086) 6.432 9.334 ( -8.971 0.000 11.789) 14.814 9.393 ( 12.768 0.000 -2.681) 13.046 9.427 ( -0.727 0.000 2.226) 2.342 9.629 ( -3.038 0.000 -6.562) 7.231 9.893 ( 0.272 0.000 4.637) 4.645 9.927 ( -2.676 0.000 16.636) 16.850 10.050 ( -15.071 0.000 10.125) 18.157 10.181 ( -15.051 0.000 -8.476) 17.274 10.186 ( 5.533 0.000 -1.453) 5.721 10.464 ( 0.521 0.000 -9.984) 9.997 10.540 ( 22.029 0.000 14.300) 26.263 10.727 ( 16.089 0.000 -2.482) 16.280 10.975 ( 11.908 0.000 -2.934) 12.264 11.089 ( 6.422 0.000 -11.961) 13.576 11.362 ( 10.611 0.000 -1.727) 10.751 11.429 ( 3.704 0.000 1.575) 4.025 11.510 ( -10.051 0.000 11.527) 15.293 11.605 ( 17.713 0.000 0.950) 17.738 11.688 ( 8.368 0.000 -6.512) 10.603 11.739 ( -2.160 0.000 -4.009) 4.554 12.075 ( -1.717 0.000 -9.335) 9.492 12.179 ( 17.776 0.000 -15.654) 23.687 12.257 ( -1.173 0.000 18.585) 18.622 12.562 ( 9.140 0.000 -8.479) 12.467 12.629 ( 3.357 0.000 6.875) 7.651 12.708 ( -6.609 0.000 13.383) 14.926 12.720 ( 12.132 0.000 -1.470) 12.221 12.776 ( -2.831 0.000 3.904) 4.822 12.860 ( -0.747 0.000 -1.210) 1.422 12.920 ( -1.280 0.000 -5.552) 5.698 13.030 ( -8.997 0.000 10.568) 13.880 13.198 ( -18.125 0.000 -2.437) 18.289 13.423 ( -2.395 0.000 1.202) 2.680 13.506 ( -7.909 0.000 -4.562) 9.130 13.628 ( -8.856 0.000 0.332) 8.862 13.729 ( -18.505 0.000 -5.716) 19.368 13.823 ( -16.671 0.000 4.922) 17.382 14.010 ( -14.474 0.000 -9.077) 17.085 14.451 ( 2.067 0.000 3.887) 4.402 14.514 ( -2.144 0.000 -1.779) 2.786 14.627 ( -0.197 0.000 1.552) 1.564 14.643 ( 6.448 0.000 -1.719) 6.674 14.771 ( -4.113 0.000 3.395) 5.333 14.814 ( -15.312 0.000 3.908) 15.803 14.937 ( -5.946 0.000 -0.356) 5.956 14.995 ( -7.951 0.000 -2.955) 8.482 15.041 ( -0.135 0.000 3.115) 3.118 15.164 ( 4.182 0.000 -6.305) 7.566 15.217 ( -8.331 0.000 7.349) 11.109 15.367 ( -8.580 0.000 -5.202) 10.034 15.568 ( -2.187 0.000 1.087) 2.442 15.597 ( -1.871 0.000 -1.618) 2.473 15.721 ( -6.843 0.000 1.712) 7.054 15.728 ( -7.949 0.000 0.684) 7.979 16.580 ( 1.617 0.000 7.949) 8.112 16.589 ( 0.729 0.000 7.218) 7.254 16.784 ( 3.226 0.000 -10.455) 10.941 16.848 ( -2.368 0.000 -12.100) 12.330 17.590 ( 16.337 0.000 10.860) 19.617 17.844 ( 15.412 0.000 -7.091) 16.965 18.164 ( -10.313 0.000 3.595) 10.922 18.170 ( 16.661 0.000 2.986) 16.926 18.265 ( -4.066 0.000 -0.584) 4.108 18.464 ( 15.542 0.000 -14.150) 21.018 18.942 ( -20.514 0.000 5.768) 21.309 19.052 ( -13.737 0.000 -2.953) 14.051 19.296 ( 18.934 0.000 15.776) 24.646 19.652 ( 14.538 0.000 -12.477) 19.158 19.874 ( -7.721 0.000 6.733) 10.244 19.934 ( -0.009 0.000 -1.125) 1.125 20.211 ( 1.454 0.000 3.270) 3.579 20.275 ( -1.957 0.000 4.093) 4.537 20.374 ( -5.414 0.000 -8.235) 9.855 20.399 ( -5.967 0.000 -6.521) 8.839 20.934 ( 11.939 0.000 4.341) 12.703 21.085 ( 11.134 0.000 -7.324) 13.327 21.212 ( 0.165 0.000 8.175) 8.177 21.354 ( -2.116 0.000 -3.877) 4.417 21.682 ( 14.937 0.000 9.701) 17.811 21.886 ( 11.478 0.000 -6.877) 13.380 22.130 ( -4.873 0.000 6.581) 8.188 22.277 ( -5.894 0.000 -5.623) 8.146 22.426 ( 5.238 0.000 -0.197) 5.242 22.426 ( 1.633 0.000 -0.333) 1.667 22.576 ( -3.475 0.000 5.058) 6.137 22.685 ( -4.560 0.000 -4.002) 6.067 25.502 ( 1.146 0.000 0.307) 1.186 25.506 ( 0.948 0.000 0.008) 0.948 25.565 ( -2.048 0.000 0.783) 2.192 25.586 ( -3.086 0.000 -0.901) 3.215 25.675 ( -1.165 0.000 1.711) 2.070 25.712 ( -1.893 0.000 0.472) 1.951 25.718 ( -2.201 0.000 -1.687) 2.773 25.727 ( -3.800 0.000 -0.714) 3.867 26.712 ( 5.256 0.000 2.010) 5.627 26.761 ( 3.783 0.000 -1.685) 4.141 26.820 ( 1.253 0.000 0.569) 1.376 26.838 ( -0.936 0.000 -0.369) 1.006 26.928 ( 2.039 0.000 -0.172) 2.046 26.928 ( 2.879 0.000 -0.325) 2.897 26.963 ( 0.646 0.000 1.420) 1.560 26.997 ( -0.633 0.000 -1.373) 1.511 27.996 ( 4.576 0.000 0.990) 4.682 28.019 ( 4.431 0.000 -0.769) 4.497 28.139 ( -1.016 0.000 0.641) 1.201 28.155 ( -2.700 0.000 -0.618) 2.770 28.451 ( 10.252 0.000 -0.381) 10.259 28.462 ( 10.477 0.000 -1.469) 10.579 28.710 ( 4.551 0.000 3.879) 5.980 28.797 ( 2.850 0.000 -3.520) 4.529 28.856 ( -9.141 0.000 1.591) 9.279 28.898 ( -7.602 0.000 -1.936) 7.844 28.966 ( -5.733 0.000 2.093) 6.103 28.997 ( -9.789 0.000 -0.514) 9.802 29.231 ( 3.773 0.000 1.635) 4.112 29.274 ( 2.143 0.000 -1.961) 2.905 29.463 ( -7.277 0.000 0.768) 7.318 29.475 ( -8.710 0.000 -0.262) 8.714 ======================= Grid point 60 (24/36) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -13.425 0.000 2.170) 13.600 1.596 ( 13.425 0.000 2.170) 13.600 1.639 ( -11.761 0.000 -1.616) 11.871 1.639 ( 11.761 0.000 -1.616) 11.871 2.119 ( -23.778 0.000 9.186) 25.491 2.119 ( 23.778 0.000 9.186) 25.491 2.268 ( -29.145 0.000 -3.578) 29.364 2.268 ( 29.145 0.000 -3.578) 29.364 2.989 ( -8.295 0.000 9.118) 12.327 2.989 ( 8.295 0.000 9.118) 12.327 3.200 ( -1.010 0.000 -6.612) 6.689 3.200 ( 1.010 0.000 -6.612) 6.689 3.414 ( -7.532 0.000 -0.843) 7.579 3.414 ( 7.532 0.000 -0.843) 7.579 3.475 ( -15.780 0.000 -5.152) 16.600 3.475 ( 15.780 0.000 -5.152) 16.600 3.992 ( -8.541 0.000 4.341) 9.581 3.992 ( 8.541 0.000 4.341) 9.581 4.112 ( -8.673 0.000 -3.350) 9.298 4.112 ( 8.673 0.000 -3.350) 9.298 4.192 ( -9.351 0.000 6.065) 11.146 4.192 ( 9.351 0.000 6.065) 11.146 4.432 ( -5.760 0.000 -11.342) 12.720 4.432 ( 5.760 0.000 -11.342) 12.720 4.792 ( -8.934 0.000 4.542) 10.022 4.792 ( 8.934 0.000 4.542) 10.022 4.849 ( -4.178 0.000 1.887) 4.585 4.849 ( 4.178 0.000 1.887) 4.585 5.464 ( -17.897 0.000 3.994) 18.338 5.464 ( 17.897 0.000 3.994) 18.338 5.482 ( -10.842 0.000 0.170) 10.843 5.482 ( 10.842 0.000 0.170) 10.843 5.995 ( -15.358 0.000 1.891) 15.474 5.995 ( 15.358 0.000 1.891) 15.474 6.043 ( -2.851 0.000 0.872) 2.982 6.043 ( 2.851 0.000 0.872) 2.982 6.337 ( -2.390 0.000 -1.438) 2.789 6.337 ( 2.390 0.000 -1.438) 2.789 6.491 ( -5.184 0.000 -11.497) 12.612 6.491 ( 5.184 0.000 -11.497) 12.612 6.717 ( -5.462 0.000 0.205) 5.466 6.717 ( 5.462 0.000 0.205) 5.466 6.775 ( -5.838 0.000 -5.277) 7.869 6.775 ( 5.838 0.000 -5.277) 7.869 6.833 ( -3.937 0.000 5.783) 6.996 6.833 ( 3.937 0.000 5.783) 6.996 7.005 ( -7.245 0.000 -7.394) 10.352 7.005 ( 7.245 0.000 -7.394) 10.352 7.360 ( -7.046 0.000 13.503) 15.230 7.360 ( 7.046 0.000 13.503) 15.230 7.446 ( -1.534 0.000 7.744) 7.895 7.446 ( 1.534 0.000 7.744) 7.895 7.555 ( -7.812 0.000 7.601) 10.899 7.555 ( 7.812 0.000 7.601) 10.899 7.594 ( -3.743 0.000 7.944) 8.782 7.594 ( 3.743 0.000 7.944) 8.782 7.864 ( -9.888 0.000 -11.646) 15.278 7.864 ( 9.888 0.000 -11.646) 15.278 7.927 ( -7.298 0.000 -20.392) 21.659 7.927 ( 7.298 0.000 -20.392) 21.659 8.274 ( -6.255 0.000 -0.734) 6.298 8.274 ( 6.255 0.000 -0.734) 6.298 8.322 ( -6.218 0.000 -7.019) 9.377 8.322 ( 6.218 0.000 -7.019) 9.377 8.630 ( -3.700 0.000 10.168) 10.821 8.630 ( 3.700 0.000 10.168) 10.821 8.768 ( -22.059 0.000 7.978) 23.457 8.768 ( 22.059 0.000 7.978) 23.457 8.913 ( -2.607 0.000 0.302) 2.624 8.913 ( 2.607 0.000 0.302) 2.624 9.091 ( -10.627 0.000 1.227) 10.698 9.091 ( 10.627 0.000 1.227) 10.698 9.340 ( -7.424 0.000 12.610) 14.633 9.340 ( 7.424 0.000 12.610) 14.633 9.480 ( -9.689 0.000 -10.514) 14.298 9.480 ( 9.689 0.000 -10.514) 14.298 9.654 ( -22.609 0.000 -5.107) 23.179 9.654 ( 22.609 0.000 -5.107) 23.179 9.734 ( -14.585 0.000 -7.235) 16.281 9.734 ( 14.585 0.000 -7.235) 16.281 9.959 ( -6.974 0.000 10.041) 12.226 9.959 ( 6.974 0.000 10.041) 12.226 10.312 ( -9.196 0.000 -17.493) 19.763 10.312 ( 9.196 0.000 -17.493) 19.763 10.981 ( -18.914 0.000 13.776) 23.399 10.981 ( 18.914 0.000 13.776) 23.399 11.053 ( -11.557 0.000 3.542) 12.087 11.053 ( 11.557 0.000 3.542) 12.087 11.318 ( -8.498 0.000 2.664) 8.906 11.318 ( 8.498 0.000 2.664) 8.906 11.573 ( -13.913 0.000 -12.591) 18.764 11.573 ( 13.913 0.000 -12.591) 18.764 11.984 ( -10.541 0.000 9.675) 14.308 11.984 ( 10.541 0.000 9.675) 14.308 12.238 ( -27.874 0.000 -8.575) 29.163 12.238 ( 27.874 0.000 -8.575) 29.163 12.356 ( -15.976 0.000 14.370) 21.488 12.356 ( 15.976 0.000 14.370) 21.488 12.652 ( -18.135 0.000 -11.894) 21.688 12.652 ( 18.135 0.000 -11.894) 21.688 12.709 ( -5.036 0.000 6.217) 8.000 12.709 ( 5.036 0.000 6.217) 8.000 12.873 ( -4.233 0.000 -6.340) 7.623 12.873 ( 4.233 0.000 -6.340) 7.623 13.179 ( -18.368 0.000 3.565) 18.711 13.179 ( 18.368 0.000 3.565) 18.711 13.212 ( -24.935 0.000 1.456) 24.978 13.212 ( 24.935 0.000 1.456) 24.978 13.599 ( -10.641 0.000 1.797) 10.792 13.599 ( 10.641 0.000 1.797) 10.792 13.731 ( -11.562 0.000 -8.842) 14.556 13.731 ( 11.562 0.000 -8.842) 14.556 14.539 ( -6.733 0.000 5.962) 8.993 14.539 ( 6.733 0.000 5.962) 8.993 14.581 ( -8.183 0.000 2.605) 8.588 14.581 ( 8.183 0.000 2.605) 8.588 14.791 ( -8.197 0.000 -1.495) 8.332 14.791 ( 8.197 0.000 -1.495) 8.332 14.825 ( -8.446 0.000 -4.070) 9.376 14.825 ( 8.446 0.000 -4.070) 9.376 15.101 ( -4.373 0.000 6.273) 7.647 15.101 ( 4.373 0.000 6.273) 7.647 15.248 ( -4.489 0.000 -6.031) 7.518 15.248 ( 4.489 0.000 -6.031) 7.518 15.600 ( -4.780 0.000 1.290) 4.951 15.600 ( 4.780 0.000 1.290) 4.951 15.615 ( -3.562 0.000 0.205) 3.568 15.615 ( 3.562 0.000 0.205) 3.568 16.596 ( -0.485 0.000 7.480) 7.495 16.596 ( 0.485 0.000 7.480) 7.495 16.819 ( -1.080 0.000 -10.730) 10.784 16.819 ( 1.080 0.000 -10.730) 10.784 17.899 ( -15.087 0.000 8.510) 17.321 17.899 ( 15.087 0.000 8.510) 17.321 18.095 ( -10.273 0.000 -6.523) 12.169 18.095 ( 10.273 0.000 -6.523) 12.169 18.554 ( -19.260 0.000 6.818) 20.431 18.554 ( 19.260 0.000 6.818) 20.431 18.774 ( -14.909 0.000 -10.182) 18.054 18.774 ( 14.909 0.000 -10.182) 18.054 19.640 ( -15.424 0.000 12.306) 19.732 19.640 ( 15.424 0.000 12.306) 19.732 19.876 ( -7.125 0.000 -5.752) 9.157 19.876 ( 7.125 0.000 -5.752) 9.157 20.278 ( -3.030 0.000 -3.516) 4.641 20.278 ( 3.030 0.000 -3.516) 4.641 20.283 ( -5.316 0.000 -2.402) 5.834 20.283 ( 5.316 0.000 -2.402) 5.834 21.135 ( -7.703 0.000 6.553) 10.113 21.135 ( 7.703 0.000 6.553) 10.113 21.262 ( -6.932 0.000 -4.203) 8.107 21.262 ( 6.932 0.000 -4.203) 8.107 21.959 ( -12.184 0.000 6.363) 13.745 21.959 ( 12.184 0.000 6.363) 13.745 22.110 ( -10.633 0.000 -5.972) 12.196 22.110 ( 10.633 0.000 -5.972) 12.196 22.489 ( -4.453 0.000 3.080) 5.414 22.489 ( 4.453 0.000 3.080) 5.414 22.558 ( -7.499 0.000 -2.530) 7.914 22.558 ( 7.499 0.000 -2.530) 7.914 25.530 ( -1.514 0.000 0.357) 1.556 25.530 ( 1.514 0.000 0.357) 1.556 25.533 ( -2.170 0.000 0.037) 2.170 25.533 ( 2.170 0.000 0.037) 2.170 25.676 ( -1.329 0.000 0.518) 1.426 25.676 ( 1.329 0.000 0.518) 1.426 25.695 ( -0.193 0.000 -0.974) 0.993 25.695 ( 0.193 0.000 -0.974) 0.993 26.796 ( -3.247 0.000 0.889) 3.366 26.796 ( 3.247 0.000 0.889) 3.366 26.816 ( -1.631 0.000 -0.622) 1.745 26.816 ( 1.631 0.000 -0.622) 1.745 26.959 ( -1.025 0.000 0.530) 1.154 26.959 ( 1.025 0.000 0.530) 1.154 26.974 ( -1.729 0.000 -0.648) 1.847 26.974 ( 1.729 0.000 -0.648) 1.847 28.085 ( -4.258 0.000 0.408) 4.277 28.085 ( 4.258 0.000 0.408) 4.277 28.096 ( -3.239 0.000 -0.434) 3.268 28.096 ( 3.239 0.000 -0.434) 3.268 28.654 ( -10.396 0.000 0.255) 10.399 28.654 ( 10.396 0.000 0.255) 10.399 28.668 ( -9.853 0.000 -0.926) 9.896 28.668 ( 9.853 0.000 -0.926) 9.896 28.853 ( -4.992 0.000 1.065) 5.105 28.853 ( 4.992 0.000 1.065) 5.105 28.872 ( -4.104 0.000 -0.513) 4.136 28.872 ( 4.104 0.000 -0.513) 4.136 29.328 ( -6.205 0.000 0.699) 6.244 29.328 ( 6.205 0.000 0.699) 6.244 29.344 ( -4.829 0.000 -0.604) 4.867 29.344 ( 4.829 0.000 -0.604) 4.867 ======================= Grid point 66 (25/36) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.000 12.998 44.752) 46.601 1.466 ( 0.000 26.297 38.471) 46.599 2.056 ( 0.000 14.881 19.580) 24.593 2.441 ( 0.000 -0.665 -33.486) 33.492 2.529 ( 0.000 0.625 -27.761) 27.768 2.714 ( 0.000 9.459 23.899) 25.703 2.778 ( 0.000 21.258 30.791) 37.417 2.845 ( 0.000 10.025 -29.243) 30.913 3.034 ( 0.000 -4.877 -11.692) 12.668 3.162 ( 0.000 4.956 15.875) 16.631 3.180 ( 0.000 1.013 8.673) 8.732 3.239 ( 0.000 7.347 16.001) 17.607 3.268 ( 0.000 3.023 -1.161) 3.238 3.390 ( 0.000 1.802 -7.155) 7.379 3.451 ( 0.000 -8.867 -2.795) 9.297 3.565 ( 0.000 -0.969 -3.951) 4.069 3.598 ( 0.000 6.998 3.057) 7.637 3.770 ( 0.000 -12.326 -7.880) 14.629 4.132 ( 0.000 -15.935 -20.530) 25.989 4.159 ( 0.000 12.482 1.853) 12.618 4.284 ( 0.000 22.478 -26.544) 34.783 4.481 ( 0.000 3.290 7.206) 7.921 4.632 ( 0.000 0.599 -6.928) 6.954 4.778 ( 0.000 14.383 -32.244) 35.306 4.908 ( 0.000 -9.877 -3.925) 10.628 5.000 ( 0.000 -8.080 -0.185) 8.082 5.058 ( 0.000 -8.371 7.098) 10.976 5.107 ( 0.000 -6.014 4.164) 7.314 5.331 ( 0.000 -2.440 1.167) 2.704 5.390 ( 0.000 -13.530 9.419) 16.486 5.547 ( 0.000 4.349 9.191) 10.168 5.584 ( 0.000 0.727 8.152) 8.185 5.703 ( 0.000 2.817 -0.768) 2.920 5.705 ( 0.000 0.678 8.012) 8.040 5.836 ( 0.000 8.111 18.684) 20.369 6.016 ( 0.000 19.587 -9.177) 21.630 6.124 ( 0.000 5.686 2.656) 6.276 6.200 ( 0.000 -3.477 -2.352) 4.198 6.305 ( 0.000 -1.636 9.913) 10.047 6.373 ( 0.000 3.630 -12.837) 13.340 6.464 ( 0.000 2.388 -24.800) 24.915 6.585 ( 0.000 -1.954 -4.295) 4.719 6.615 ( 0.000 8.337 -6.094) 10.327 6.694 ( 0.000 7.437 -7.009) 10.219 6.797 ( 0.000 3.552 -15.176) 15.586 6.848 ( 0.000 -8.305 0.496) 8.320 6.866 ( 0.000 -6.636 -1.248) 6.753 6.902 ( 0.000 -2.328 -13.098) 13.304 7.226 ( 0.000 -5.798 7.430) 9.425 7.274 ( 0.000 -3.275 13.149) 13.551 7.326 ( 0.000 -0.718 -0.055) 0.720 7.395 ( 0.000 3.640 4.663) 5.915 7.447 ( 0.000 -2.070 0.770) 2.208 7.557 ( 0.000 10.430 3.017) 10.858 7.598 ( 0.000 7.672 20.367) 21.765 7.845 ( 0.000 1.018 -1.062) 1.471 7.880 ( 0.000 -3.449 2.218) 4.100 7.901 ( 0.000 0.015 3.006) 3.006 8.035 ( 0.000 -0.069 9.030) 9.031 8.045 ( 0.000 -0.946 -1.789) 2.024 8.050 ( 0.000 -1.684 7.490) 7.677 8.180 ( 0.000 2.332 0.358) 2.359 8.210 ( 0.000 -8.186 -2.563) 8.578 8.292 ( 0.000 2.606 3.057) 4.018 8.343 ( 0.000 -9.058 3.008) 9.544 8.438 ( 0.000 4.677 11.866) 12.755 8.515 ( 0.000 -6.179 -12.805) 14.218 8.597 ( 0.000 4.202 -2.124) 4.708 8.669 ( 0.000 1.699 -2.214) 2.791 8.692 ( 0.000 -5.226 -12.324) 13.386 8.731 ( 0.000 -0.198 -15.414) 15.415 8.851 ( 0.000 -7.480 -19.620) 20.997 8.950 ( 0.000 1.303 9.912) 9.998 9.005 ( 0.000 2.359 17.383) 17.542 9.269 ( 0.000 -9.879 13.190) 16.480 9.316 ( 0.000 12.095 -13.350) 18.015 9.437 ( 0.000 -1.504 -7.857) 7.999 9.631 ( 0.000 -6.513 -16.041) 17.313 9.645 ( 0.000 -3.585 7.454) 8.271 9.739 ( 0.000 -7.327 10.838) 13.082 9.844 ( 0.000 -2.083 -13.139) 13.303 9.995 ( 0.000 -6.676 -3.078) 7.351 10.000 ( 0.000 11.751 5.646) 13.037 10.148 ( 0.000 15.810 -5.286) 16.670 10.177 ( 0.000 -2.880 9.475) 9.903 10.368 ( 0.000 -11.672 6.632) 13.425 10.422 ( 0.000 0.732 5.249) 5.300 10.528 ( 0.000 9.662 9.996) 13.902 10.660 ( 0.000 -3.003 -7.740) 8.302 10.739 ( 0.000 1.920 -2.780) 3.379 11.256 ( 0.000 -27.447 15.105) 31.329 11.611 ( 0.000 -11.157 -9.852) 14.884 11.633 ( 0.000 0.247 2.489) 2.501 11.730 ( 0.000 2.285 -5.281) 5.754 11.878 ( 0.000 -1.104 -1.173) 1.611 11.962 ( 0.000 -5.066 -1.489) 5.281 12.053 ( 0.000 -3.987 0.201) 3.992 12.203 ( 0.000 4.917 -5.704) 7.531 12.272 ( 0.000 -2.900 11.563) 11.921 12.521 ( 0.000 -5.630 -7.937) 9.731 12.672 ( 0.000 -0.546 0.566) 0.787 12.688 ( 0.000 1.967 -0.972) 2.194 12.775 ( 0.000 -2.473 11.712) 11.971 13.084 ( 0.000 30.344 19.827) 36.247 13.087 ( 0.000 -7.037 -14.784) 16.374 13.486 ( 0.000 25.873 -16.705) 30.797 13.867 ( 0.000 -0.715 13.183) 13.202 13.891 ( 0.000 7.047 10.687) 12.801 14.140 ( 0.000 7.436 -9.766) 12.275 14.185 ( 0.000 5.140 -10.404) 11.605 14.341 ( 0.000 9.881 13.495) 16.726 14.441 ( 0.000 -4.165 6.688) 7.879 14.592 ( 0.000 12.674 -1.667) 12.783 14.672 ( 0.000 -7.857 -14.130) 16.168 14.823 ( 0.000 8.011 -1.618) 8.173 14.917 ( 0.000 6.652 -9.940) 11.960 15.481 ( 0.000 -10.336 2.012) 10.530 15.520 ( 0.000 -6.457 -1.689) 6.675 15.632 ( 0.000 -0.943 1.163) 1.498 15.665 ( 0.000 3.228 -1.688) 3.643 15.698 ( 0.000 0.835 9.381) 9.418 15.759 ( 0.000 -9.108 3.141) 9.634 15.834 ( 0.000 -6.077 -3.049) 6.799 15.877 ( 0.000 -1.396 -5.910) 6.073 16.032 ( 0.000 1.781 0.482) 1.845 16.062 ( 0.000 7.374 -3.465) 8.147 16.274 ( 0.000 -1.933 3.078) 3.634 16.369 ( 0.000 -2.661 -4.355) 5.104 16.436 ( 0.000 -2.153 -1.253) 2.491 16.438 ( 0.000 2.029 -3.199) 3.788 16.512 ( 0.000 -1.422 4.508) 4.726 16.586 ( 0.000 1.141 0.432) 1.220 16.859 ( 0.000 -2.981 -2.532) 3.912 16.882 ( 0.000 -4.606 12.885) 13.683 16.949 ( 0.000 2.451 -8.187) 8.546 17.272 ( 0.000 -5.129 -20.463) 21.096 18.404 ( 0.000 3.325 23.948) 24.178 18.805 ( 0.000 -5.062 18.227) 18.916 18.902 ( 0.000 5.726 -18.495) 19.361 19.220 ( 0.000 -0.636 -16.561) 16.573 19.855 ( 0.000 -3.133 1.552) 3.496 19.895 ( 0.000 -7.747 -1.856) 7.967 19.911 ( 0.000 -7.849 5.585) 9.633 20.013 ( 0.000 -11.000 -2.872) 11.369 20.133 ( 0.000 3.083 1.342) 3.363 20.228 ( 0.000 -0.258 -4.976) 4.983 20.232 ( 0.000 6.278 9.229) 11.162 20.369 ( 0.000 -0.900 -1.512) 1.759 20.622 ( 0.000 1.216 0.396) 1.279 20.624 ( 0.000 0.828 15.450) 15.472 20.775 ( 0.000 2.448 -12.300) 12.541 21.008 ( 0.000 0.043 -17.190) 17.190 21.611 ( 0.000 -0.300 14.297) 14.300 21.803 ( 0.000 6.308 11.782) 13.364 21.890 ( 0.000 3.948 -9.401) 10.197 21.890 ( 0.000 -14.341 18.452) 23.370 22.043 ( 0.000 5.939 -2.774) 6.555 22.192 ( 0.000 -2.952 -5.401) 6.155 22.248 ( 0.000 -2.486 2.883) 3.808 22.311 ( 0.000 0.591 -2.189) 2.267 25.451 ( 0.000 1.550 0.491) 1.626 25.464 ( 0.000 2.580 -0.670) 2.665 25.624 ( 0.000 -3.305 1.682) 3.709 25.677 ( 0.000 -2.755 -2.964) 4.046 25.871 ( 0.000 1.921 5.266) 5.605 25.973 ( 0.000 4.877 -3.304) 5.891 25.973 ( 0.000 -0.130 10.385) 10.386 26.214 ( 0.000 2.882 -10.607) 10.992 26.393 ( 0.000 3.352 -0.187) 3.357 26.449 ( 0.000 0.790 -4.083) 4.158 26.470 ( 0.000 -0.235 -0.160) 0.284 26.498 ( 0.000 -0.219 -2.869) 2.878 26.642 ( 0.000 1.278 1.760) 2.175 26.693 ( 0.000 4.072 -2.845) 4.968 26.872 ( 0.000 -2.905 7.200) 7.764 27.023 ( 0.000 -2.588 -5.520) 6.096 27.740 ( 0.000 -2.748 11.737) 12.054 27.824 ( 0.000 -4.889 5.482) 7.346 27.916 ( 0.000 -0.660 -4.308) 4.358 27.945 ( 0.000 -1.099 -4.291) 4.430 28.191 ( 0.000 7.241 2.003) 7.513 28.246 ( 0.000 3.798 -2.041) 4.312 28.385 ( 0.000 -2.248 8.465) 8.759 28.618 ( 0.000 -1.917 -11.630) 11.787 29.079 ( 0.000 -0.786 4.533) 4.601 29.210 ( 0.000 4.486 -6.247) 7.690 29.329 ( 0.000 -5.775 8.805) 10.530 29.476 ( 0.000 -3.897 -3.203) 5.044 29.768 ( 0.000 -0.250 4.485) 4.492 29.854 ( 0.000 1.462 -2.756) 3.120 30.059 ( 0.000 -11.118 4.548) 12.012 30.126 ( 0.000 -10.153 -0.315) 10.158 ======================= Grid point 67 (26/36) ======================= q-point: ( 0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 20.326 26.501 16.317) 37.171 1.956 ( 11.948 26.559 23.604) 37.487 1.996 ( 3.193 9.133 18.535) 20.908 2.194 ( -7.759 3.079 -26.411) 27.698 2.616 ( -6.794 5.117 -13.591) 16.033 2.780 ( -3.523 8.672 -7.496) 11.992 2.854 ( -4.889 14.864 -4.032) 16.159 2.916 ( 10.512 -7.943 7.990) 15.410 3.034 ( -2.150 -1.570 4.843) 5.526 3.077 ( -20.570 3.192 -11.240) 23.657 3.177 ( 13.657 -5.767 -0.095) 14.825 3.223 ( -0.438 -8.270 -5.501) 9.942 3.352 ( 14.938 19.922 26.623) 36.453 3.391 ( 16.151 10.647 28.126) 34.136 3.470 ( -1.933 -4.851 2.513) 5.795 3.551 ( 5.441 -7.933 2.380) 9.910 3.717 ( 9.512 8.531 2.282) 12.980 3.923 ( 11.262 -10.097 -8.290) 17.248 4.139 ( -3.286 1.369 -6.232) 7.177 4.150 ( -12.690 4.729 -2.908) 13.852 4.321 ( -5.515 -13.154 -10.012) 17.426 4.500 ( 9.805 11.853 3.311) 15.735 4.563 ( 9.429 4.873 -19.849) 22.508 4.731 ( -7.411 -7.340 -0.097) 10.431 4.803 ( -4.878 -2.540 -2.393) 5.998 4.953 ( 10.261 6.376 -25.592) 28.300 5.167 ( -3.227 -4.974 8.273) 10.179 5.213 ( 0.190 -0.446 0.920) 1.039 5.343 ( 3.240 4.462 0.325) 5.524 5.419 ( 4.786 -9.225 9.681) 14.203 5.555 ( -8.224 -1.555 9.237) 12.465 5.604 ( 2.548 3.264 5.792) 7.119 5.696 ( 8.758 -2.792 3.789) 9.943 5.740 ( -3.017 9.913 0.693) 10.385 5.897 ( 5.494 2.920 6.202) 8.785 5.937 ( -4.159 8.839 -11.421) 15.028 6.092 ( -11.679 -2.988 -6.557) 13.723 6.232 ( -1.280 -3.262 -2.988) 4.605 6.282 ( -8.781 3.582 5.981) 11.212 6.300 ( 5.858 -1.604 -0.485) 6.093 6.399 ( -2.769 2.672 -4.842) 6.185 6.517 ( 2.879 0.688 -1.525) 3.330 6.577 ( -12.994 5.789 -9.549) 17.133 6.717 ( 7.808 -1.323 -7.274) 10.754 6.797 ( -0.194 1.902 -12.938) 13.078 6.864 ( 2.619 4.094 -16.149) 16.864 6.938 ( 2.977 0.829 -0.412) 3.118 6.997 ( 7.581 -4.489 -1.012) 8.868 7.178 ( -6.794 2.504 -1.005) 7.310 7.210 ( 0.700 4.304 -2.713) 5.136 7.284 ( 2.123 -8.788 11.446) 14.586 7.439 ( 0.272 -2.273 9.679) 9.946 7.462 ( -0.230 -5.414 0.365) 5.431 7.568 ( 0.275 2.030 5.760) 6.114 7.728 ( -1.335 4.905 10.413) 11.587 7.798 ( -1.304 -1.403 7.937) 8.165 7.819 ( -2.631 1.805 4.294) 5.350 7.905 ( -1.642 -0.816 -3.055) 3.562 7.981 ( -5.509 -0.698 -2.040) 5.916 7.985 ( 3.131 3.523 1.619) 4.983 8.126 ( 1.483 -0.434 0.459) 1.612 8.228 ( 6.076 0.046 -9.352) 11.152 8.238 ( 3.018 -5.249 -2.304) 6.479 8.270 ( -1.255 -5.613 7.957) 9.818 8.367 ( -2.139 4.454 8.871) 10.154 8.421 ( -1.216 -5.931 -2.371) 6.502 8.462 ( -0.732 -1.094 -5.379) 5.538 8.603 ( 4.340 0.474 3.325) 5.488 8.642 ( -1.165 -4.372 -5.079) 6.803 8.703 ( 2.159 6.331 0.985) 6.761 8.825 ( 5.613 0.167 -5.444) 7.821 8.922 ( -0.482 3.088 -1.321) 3.393 8.972 ( 0.869 1.516 -6.252) 6.492 9.039 ( 7.209 -8.319 5.246) 12.194 9.207 ( -5.251 -5.423 4.772) 8.931 9.283 ( -0.933 7.271 -11.107) 13.308 9.424 ( -0.212 -2.960 3.145) 4.324 9.568 ( -6.511 -1.273 0.722) 6.674 9.651 ( -0.993 -6.620 1.899) 6.958 9.783 ( 6.737 -11.762 -7.504) 15.494 9.893 ( 3.414 -3.160 -6.712) 8.167 9.942 ( -0.098 -2.128 1.481) 2.594 10.090 ( 0.639 2.654 14.610) 14.863 10.165 ( 3.166 2.437 -0.631) 4.044 10.237 ( 6.203 10.122 0.499) 11.882 10.363 ( -2.364 -4.838 -2.561) 5.962 10.459 ( 6.248 6.599 11.489) 14.649 10.595 ( 7.301 3.612 0.742) 8.179 10.779 ( 5.399 1.024 -3.165) 6.341 10.803 ( 10.636 -3.082 -7.107) 13.159 11.141 ( -5.408 -21.122 15.033) 26.484 11.455 ( -6.485 -3.859 -9.745) 12.326 11.751 ( 5.023 -0.140 -0.048) 5.025 11.766 ( 2.203 -4.245 2.910) 5.599 11.946 ( 3.374 -1.875 -6.597) 7.643 11.953 ( -1.438 -3.993 0.602) 4.286 12.073 ( 1.819 -4.408 1.729) 5.072 12.222 ( 1.881 1.622 -2.494) 3.520 12.369 ( 6.813 -4.066 7.713) 11.065 12.584 ( 5.649 -5.018 -6.600) 10.032 12.676 ( 0.421 -0.675 0.112) 0.803 12.699 ( 1.410 2.902 -1.242) 3.457 12.830 ( 4.568 -2.766 9.802) 11.162 13.060 ( -1.696 26.761 16.267) 31.363 13.103 ( 1.884 -5.352 -13.224) 14.390 13.427 ( -6.488 21.039 -15.755) 27.073 13.765 ( -7.751 4.567 12.484) 15.388 13.896 ( 2.904 6.209 3.901) 7.887 14.090 ( -5.043 2.672 -2.175) 6.108 14.226 ( 3.127 7.198 -3.627) 8.646 14.338 ( 1.338 5.954 5.266) 8.061 14.482 ( 1.327 -0.900 3.670) 4.005 14.551 ( -2.580 8.337 0.324) 8.733 14.662 ( 0.320 -6.355 -7.279) 9.668 14.826 ( -1.492 8.687 -0.508) 8.829 14.939 ( -1.929 2.813 -11.125) 11.636 15.423 ( -7.080 -6.058 3.993) 10.138 15.458 ( -7.073 -3.710 0.499) 8.002 15.525 ( -10.386 -1.159 0.291) 10.454 15.546 ( -10.690 4.956 -1.785) 11.917 15.580 ( -9.757 -3.152 3.525) 10.842 15.673 ( -11.104 -3.439 -1.789) 11.762 15.758 ( 0.583 -8.653 6.189) 10.655 15.933 ( -3.218 -4.908 -5.975) 8.375 16.010 ( -3.009 0.621 -0.115) 3.074 16.034 ( -2.911 1.605 -2.036) 3.898 16.172 ( -8.067 -0.786 2.929) 8.618 16.260 ( -6.855 -0.017 -4.560) 8.233 16.408 ( -2.300 1.668 -0.960) 2.999 16.435 ( 2.744 8.956 -4.184) 10.259 16.663 ( 12.178 -2.332 6.440) 13.972 16.740 ( 11.967 0.466 2.635) 12.262 16.815 ( -4.505 -1.206 14.505) 15.236 17.060 ( 16.591 -4.505 -8.076) 18.994 17.143 ( 16.483 -1.762 -13.951) 21.666 17.249 ( -2.339 -1.958 -22.496) 22.702 18.352 ( -3.248 1.845 23.650) 23.943 18.737 ( -5.519 -4.973 18.393) 19.836 18.833 ( -5.871 4.386 -18.285) 19.699 19.134 ( -6.142 0.471 -13.916) 15.218 19.786 ( -7.755 -9.482 4.466) 13.038 19.839 ( -2.698 -7.963 -0.533) 8.424 19.878 ( -4.156 -4.814 4.738) 7.931 20.017 ( -2.253 -10.104 -2.790) 10.721 20.146 ( 2.157 4.265 1.392) 4.978 20.228 ( 2.232 -2.190 -1.910) 3.665 20.328 ( -2.108 1.341 0.587) 2.566 20.415 ( 10.127 -1.179 -1.089) 10.254 20.464 ( -8.918 2.437 8.086) 12.283 20.709 ( 7.998 1.610 7.737) 11.243 20.811 ( 3.335 4.211 -12.318) 13.439 21.067 ( 5.930 0.342 -16.045) 17.109 21.578 ( -2.217 4.643 11.827) 12.898 21.622 ( -9.791 8.663 11.392) 17.341 21.861 ( 3.545 -4.047 16.913) 17.748 22.107 ( 5.379 -1.762 -4.524) 7.246 22.185 ( 16.207 2.181 -2.219) 16.503 22.228 ( 9.504 1.423 -5.502) 11.074 22.378 ( 6.518 -2.915 1.590) 7.315 22.407 ( 5.758 -1.846 -0.859) 6.108 25.460 ( 0.880 1.574 0.532) 1.880 25.474 ( 0.944 2.546 -0.686) 2.801 25.636 ( 0.723 -3.386 1.548) 3.793 25.686 ( 0.230 -2.371 -2.971) 3.808 25.834 ( -2.997 1.588 4.755) 5.841 25.928 ( -3.912 4.106 -3.004) 6.418 25.950 ( -2.774 -0.848 7.904) 8.419 26.121 ( -7.088 2.873 -6.519) 10.049 26.408 ( 3.031 2.048 2.651) 4.518 26.488 ( 3.854 0.864 -3.829) 5.501 26.561 ( 6.065 -0.662 -0.353) 6.111 26.602 ( 6.480 -2.135 -1.889) 7.079 26.687 ( 4.338 0.539 -0.073) 4.371 26.740 ( 4.766 4.936 -5.209) 8.614 26.883 ( 1.008 -2.362 6.315) 6.817 27.012 ( -0.935 -1.884 -4.700) 5.149 27.778 ( 2.431 -2.707 8.831) 9.551 27.870 ( 5.489 -3.540 2.644) 7.046 27.924 ( 0.492 -0.463 -3.659) 3.721 27.968 ( 3.015 -0.360 -4.657) 5.560 28.179 ( -0.790 5.962 3.212) 6.818 28.241 ( -0.181 3.749 -1.969) 4.239 28.423 ( 3.250 -2.337 7.330) 8.352 28.629 ( 0.963 -3.099 -10.643) 11.127 29.077 ( -0.140 -1.017 3.914) 4.046 29.186 ( -2.459 2.518 -4.365) 5.608 29.283 ( -4.262 -5.443 7.392) 10.121 29.384 ( -7.811 -0.358 -0.152) 7.820 29.715 ( -12.049 4.703 0.811) 12.960 29.715 ( -5.907 -1.542 0.319) 6.113 29.953 ( -9.105 -8.644 3.908) 13.149 30.015 ( -8.595 -5.690 -0.849) 10.342 ======================= Grid point 68 (27/36) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -7.380 19.869 4.112) 21.590 1.978 ( 14.791 17.014 -14.744) 26.938 2.055 ( -0.862 3.350 11.687) 12.189 2.274 ( -13.412 5.485 13.625) 19.890 2.339 ( 10.794 11.844 -6.642) 17.347 2.529 ( -27.900 1.733 -10.385) 29.821 2.716 ( -5.660 10.049 -7.043) 13.514 2.760 ( -2.833 9.405 -10.106) 14.093 2.913 ( -3.251 3.647 10.395) 11.485 3.136 ( -1.515 -1.080 -0.903) 2.068 3.198 ( 3.678 -4.838 -1.216) 6.197 3.325 ( 1.006 -5.921 -6.860) 9.118 3.425 ( -2.373 -1.900 13.267) 13.611 3.514 ( 2.925 2.735 4.568) 6.075 3.633 ( -5.503 5.915 13.872) 16.053 3.825 ( 7.164 -4.813 -9.859) 13.103 3.858 ( 4.506 -9.814 9.977) 14.702 4.063 ( 11.975 3.844 3.567) 13.073 4.095 ( 9.830 -1.223 6.449) 11.820 4.318 ( 16.150 6.353 -1.818) 17.450 4.356 ( 3.909 -3.399 -15.400) 16.247 4.472 ( -5.370 -5.824 0.811) 7.963 4.604 ( 4.205 -1.179 8.914) 9.927 4.771 ( -3.333 -1.385 5.735) 6.776 4.867 ( -8.488 2.565 -1.438) 8.983 4.977 ( 1.425 8.214 0.559) 8.355 5.077 ( 7.311 2.880 9.277) 12.157 5.242 ( -2.574 -0.387 -1.533) 3.020 5.318 ( 0.889 5.326 -7.274) 9.059 5.364 ( -20.243 -1.898 -1.803) 20.412 5.409 ( -6.510 -3.380 7.170) 10.257 5.480 ( -6.409 6.775 3.075) 9.820 5.725 ( -6.780 3.615 -4.490) 8.899 5.823 ( 5.095 2.382 -0.157) 5.627 5.883 ( 2.797 -5.390 -0.920) 6.142 5.974 ( 17.669 4.495 -26.165) 31.890 6.106 ( 7.853 1.331 14.765) 16.777 6.179 ( -2.690 -3.690 7.514) 8.792 6.224 ( 5.178 3.608 -1.097) 6.406 6.416 ( 5.283 0.021 -4.392) 6.870 6.457 ( 4.123 -0.374 -1.829) 4.526 6.500 ( 1.399 -1.119 -0.656) 1.907 6.633 ( 10.804 4.838 -10.481) 15.811 6.750 ( -0.296 5.341 -0.081) 5.350 6.855 ( 0.544 -7.335 7.810) 10.728 6.884 ( 4.361 -2.073 -13.307) 14.156 6.970 ( 1.142 3.806 -11.460) 12.129 7.069 ( -1.440 3.779 -9.347) 10.184 7.118 ( 0.246 -2.827 -5.175) 5.902 7.176 ( -2.832 -0.775 -5.693) 6.406 7.324 ( 0.856 -0.841 5.953) 6.073 7.387 ( -5.871 -3.492 4.769) 8.331 7.444 ( -0.932 -0.458 5.326) 5.426 7.530 ( -4.093 0.132 -2.898) 5.017 7.630 ( -6.489 -2.606 -0.530) 7.013 7.738 ( -1.540 4.627 9.457) 10.640 7.817 ( 0.766 3.152 -3.920) 5.088 7.826 ( -2.069 -3.254 4.175) 5.683 7.943 ( -4.076 -1.486 6.556) 7.862 8.064 ( 2.516 -1.204 4.034) 4.904 8.163 ( 1.885 2.508 -6.031) 6.798 8.192 ( -1.584 -3.977 -0.995) 4.395 8.237 ( 1.074 0.790 4.281) 4.484 8.340 ( 1.583 -0.766 0.371) 1.797 8.380 ( -2.323 -5.099 -2.290) 6.053 8.445 ( 6.939 -0.504 -12.275) 14.110 8.502 ( 2.860 2.311 7.681) 8.516 8.679 ( 6.268 -6.900 -1.380) 9.424 8.696 ( 3.051 1.275 4.603) 5.668 8.811 ( 6.899 3.487 -1.135) 7.813 8.868 ( -2.943 -0.191 -5.040) 5.840 8.917 ( 0.426 4.449 -6.149) 7.602 8.993 ( 6.377 2.728 9.988) 12.160 9.147 ( 4.020 -2.625 0.825) 4.872 9.195 ( 4.853 -5.990 3.688) 8.546 9.262 ( -5.445 -0.534 0.479) 5.492 9.451 ( 4.675 -6.958 0.208) 8.385 9.501 ( 2.016 -1.229 -6.607) 7.017 9.611 ( -1.474 -12.552 2.793) 12.943 9.799 ( -4.469 -4.138 -6.116) 8.632 9.969 ( 5.713 -6.525 5.393) 10.213 10.000 ( 2.727 -1.505 0.592) 3.171 10.144 ( 6.614 -2.994 7.247) 10.258 10.295 ( -1.820 5.369 5.140) 7.652 10.302 ( 9.147 4.444 5.759) 11.686 10.442 ( 14.582 1.376 -0.387) 14.651 10.581 ( 3.863 7.863 9.716) 13.083 10.703 ( 2.800 -2.004 -1.618) 3.804 10.917 ( 8.022 2.101 -9.039) 12.266 11.017 ( 10.995 -4.134 -10.217) 15.569 11.227 ( 12.157 -11.657 5.865) 17.835 11.384 ( -1.090 0.367 -7.902) 7.986 11.805 ( 0.542 -0.714 -2.739) 2.882 11.829 ( 2.954 -3.240 2.670) 5.134 11.894 ( -1.870 -4.314 4.412) 6.448 11.991 ( 1.367 0.849 -2.881) 3.300 12.113 ( 2.010 -4.561 3.358) 6.010 12.260 ( 2.413 -2.237 -3.399) 4.731 12.428 ( -0.891 -5.003 5.429) 7.436 12.642 ( -1.208 -4.618 -8.596) 9.832 12.735 ( 6.236 0.963 0.341) 6.320 12.780 ( 5.967 3.260 -2.825) 7.363 12.915 ( 3.451 2.881 8.062) 9.230 13.061 ( 2.656 12.995 8.879) 15.961 13.112 ( -4.200 5.986 -6.379) 9.703 13.281 ( -4.362 9.279 -4.701) 11.279 13.648 ( -5.156 -0.659 11.845) 12.935 13.916 ( -4.337 4.311 -11.011) 12.595 14.054 ( 4.487 4.874 6.107) 9.010 14.290 ( 2.616 3.824 -6.819) 8.244 14.343 ( -3.186 5.939 2.850) 7.317 14.407 ( -8.793 10.967 0.874) 14.084 14.550 ( 2.663 0.691 7.234) 7.740 14.709 ( 3.025 -5.757 -5.832) 8.735 14.723 ( -8.502 5.754 0.576) 10.283 14.804 ( -9.918 3.992 -6.220) 12.368 15.138 ( -19.292 2.444 6.479) 20.497 15.270 ( -15.749 2.438 -4.183) 16.477 15.293 ( -12.309 0.863 3.794) 12.909 15.314 ( -7.327 -6.148 1.770) 9.728 15.387 ( -10.463 2.312 0.047) 10.715 15.459 ( -11.206 -3.953 -3.247) 12.318 15.708 ( -5.793 -8.326 2.073) 10.353 15.762 ( -13.304 -3.401 -1.436) 13.807 15.796 ( -14.599 -2.726 2.809) 15.115 15.853 ( -14.698 -3.120 -1.695) 15.121 16.054 ( -8.345 -6.510 -0.635) 10.603 16.060 ( -11.234 -4.981 -0.790) 12.314 16.436 ( 6.460 9.406 2.763) 11.741 16.615 ( 12.094 15.539 -11.242) 22.674 16.723 ( -2.748 5.319 13.877) 15.113 16.940 ( 14.434 -2.789 10.108) 17.840 17.060 ( 17.786 -1.006 2.749) 18.025 17.152 ( -4.600 3.577 -19.783) 20.624 17.427 ( 15.863 -6.666 -12.853) 21.477 17.494 ( 20.405 -3.470 -13.950) 24.961 18.345 ( 2.218 -1.101 17.137) 17.315 18.653 ( -3.010 -3.144 11.114) 11.936 18.730 ( -2.021 2.187 -5.205) 5.996 19.080 ( 1.954 -1.386 -11.915) 12.154 19.572 ( -14.839 -8.320 10.105) 19.787 19.727 ( -13.119 -6.022 -0.252) 14.438 19.782 ( -2.697 -12.914 1.154) 13.243 19.861 ( -6.350 -6.643 -4.369) 10.175 20.231 ( 3.582 1.322 2.986) 4.847 20.324 ( 3.982 1.964 2.092) 4.909 20.345 ( 3.986 2.644 -2.352) 5.331 20.366 ( 5.040 -5.529 -3.589) 8.298 20.640 ( 9.666 4.258 3.137) 11.018 20.864 ( 4.147 4.075 1.493) 6.003 20.920 ( 9.186 2.410 -4.729) 10.609 21.188 ( 5.687 1.372 -14.305) 15.456 21.493 ( -1.395 9.423 15.596) 18.275 21.617 ( 4.905 7.424 4.675) 10.052 21.987 ( 7.443 -2.896 11.466) 13.974 22.173 ( 1.900 -7.252 -3.642) 8.334 22.412 ( 5.044 2.552 -1.337) 5.809 22.429 ( 6.292 1.929 -1.676) 6.791 22.500 ( 5.857 -0.084 0.519) 5.881 22.545 ( 10.660 0.064 -2.542) 10.959 25.480 ( 1.013 1.514 0.560) 1.906 25.494 ( 0.937 2.324 -0.630) 2.584 25.635 ( -0.995 -2.375 1.091) 2.797 25.674 ( -1.375 -1.462 -2.326) 3.072 25.771 ( -3.270 0.496 3.585) 4.878 25.844 ( -4.351 2.316 -1.329) 5.105 25.872 ( -4.808 -1.153 3.830) 6.255 25.973 ( -7.648 1.527 -3.829) 8.688 26.498 ( 5.700 2.148 2.969) 6.776 26.581 ( 5.300 1.312 -3.605) 6.543 26.686 ( 5.583 0.325 1.235) 5.727 26.709 ( 5.546 -2.895 0.297) 6.263 26.784 ( 5.159 0.424 -0.046) 5.176 26.834 ( 3.602 2.700 -3.931) 5.977 26.908 ( 1.417 -1.232 4.200) 4.601 26.997 ( -0.429 -1.035 -3.908) 4.066 27.833 ( 3.650 -0.593 4.573) 5.881 27.931 ( 1.342 1.854 -4.077) 4.675 28.026 ( 8.567 -1.636 0.196) 8.724 28.062 ( 6.351 -1.985 -2.382) 7.067 28.175 ( 0.495 2.922 3.587) 4.653 28.243 ( 0.269 3.741 -2.219) 4.358 28.496 ( 3.975 -2.681 5.667) 7.424 28.649 ( 0.986 -5.333 -7.907) 9.588 29.062 ( -2.833 -2.509 4.118) 5.593 29.112 ( -3.665 -1.526 1.467) 4.233 29.201 ( -3.503 -1.049 1.222) 3.855 29.237 ( -5.933 2.794 0.346) 6.567 29.471 ( -11.818 7.311 1.609) 13.990 29.535 ( -11.799 -2.074 -4.212) 12.698 29.760 ( -9.838 -5.889 4.270) 12.236 29.832 ( -10.019 -3.863 -1.931) 10.910 ======================= Grid point 69 (28/36) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -26.122 4.585 8.146) 27.744 1.672 ( -15.235 1.978 0.938) 15.391 1.894 ( -17.344 6.373 -4.876) 19.110 2.024 ( -17.603 1.842 -14.539) 22.905 2.387 ( -4.067 11.568 6.444) 13.852 2.525 ( 0.026 8.666 -3.408) 9.312 2.653 ( -1.285 3.973 5.609) 6.992 2.813 ( 9.126 -0.278 -4.032) 9.981 2.925 ( 6.876 13.019 6.784) 16.212 3.067 ( -1.415 -5.364 3.279) 6.444 3.226 ( -6.828 -4.026 0.256) 7.930 3.279 ( -4.608 -1.203 -8.056) 9.358 3.354 ( -2.471 1.605 13.570) 13.886 3.504 ( -0.903 4.298 7.375) 8.584 3.659 ( 4.980 3.323 -1.019) 6.074 3.849 ( 3.226 2.437 -11.238) 11.943 3.956 ( -3.023 0.712 4.268) 5.279 4.067 ( -4.867 -5.023 8.304) 10.857 4.162 ( -0.077 -10.312 -2.738) 10.670 4.273 ( -11.470 10.501 -9.975) 18.475 4.291 ( -24.491 4.722 7.105) 25.934 4.429 ( -1.933 -3.131 -1.002) 3.814 4.535 ( -2.372 5.112 -7.465) 9.353 4.560 ( -3.019 5.363 -8.828) 10.761 4.834 ( -2.584 -1.211 1.170) 3.084 4.927 ( -7.406 0.191 -5.947) 9.500 5.106 ( -2.257 3.540 7.953) 8.993 5.158 ( -10.338 -2.207 3.061) 11.006 5.258 ( 3.139 2.677 17.618) 18.095 5.378 ( 1.089 2.483 -5.031) 5.715 5.437 ( 10.714 -0.434 -2.478) 11.005 5.593 ( 6.866 -1.766 -3.745) 8.017 5.640 ( 9.263 13.006 12.770) 20.446 5.929 ( 5.371 4.894 -0.070) 7.267 6.007 ( 8.232 -4.769 2.561) 9.852 6.150 ( 1.759 4.845 -4.616) 6.919 6.209 ( 5.216 -1.295 -0.245) 5.380 6.297 ( 9.058 -0.742 -8.398) 12.374 6.344 ( 6.824 -0.164 9.809) 11.950 6.460 ( 0.167 -2.695 3.125) 4.130 6.508 ( 1.053 -6.402 3.602) 7.421 6.582 ( 4.397 -1.012 -3.370) 5.631 6.743 ( -0.431 2.531 -0.361) 2.592 6.771 ( -4.238 3.567 -0.200) 5.543 6.881 ( 2.471 -3.076 0.389) 3.964 6.952 ( 3.396 -0.399 3.019) 4.562 7.029 ( -2.198 1.948 -3.581) 4.632 7.055 ( 3.035 -2.260 -2.898) 4.766 7.204 ( 7.342 -0.131 -7.122) 10.229 7.251 ( 11.721 -0.093 -11.656) 16.530 7.291 ( 5.864 -1.909 -2.483) 6.648 7.358 ( -2.512 3.228 1.082) 4.231 7.426 ( 2.135 -1.032 -3.131) 3.928 7.440 ( -1.495 2.619 -5.065) 5.895 7.508 ( -4.970 2.030 4.970) 7.316 7.666 ( -3.259 -3.575 -4.599) 6.675 7.808 ( -3.822 -1.065 7.295) 8.304 7.866 ( -5.136 -0.262 9.135) 10.483 7.898 ( 8.430 -7.905 -6.862) 13.440 8.006 ( -4.043 -2.002 4.473) 6.353 8.180 ( -0.536 0.881 -8.094) 8.159 8.207 ( -0.165 4.558 -3.311) 5.636 8.275 ( -2.949 -0.218 -0.870) 3.082 8.369 ( 7.928 0.930 -0.969) 8.041 8.447 ( 8.991 -0.074 -0.183) 8.993 8.505 ( 0.375 6.788 -7.111) 9.838 8.563 ( 2.475 7.181 -7.981) 11.017 8.680 ( -2.338 -10.003 0.446) 10.282 8.780 ( 4.688 -2.096 3.377) 6.146 8.882 ( 5.184 -0.205 3.606) 6.318 8.940 ( 2.530 -2.731 -1.298) 3.943 8.994 ( 8.786 -3.135 -3.901) 10.112 9.024 ( -7.648 -3.519 1.691) 8.587 9.148 ( -0.748 -0.687 1.754) 2.027 9.217 ( 3.773 -4.454 6.222) 8.532 9.389 ( 9.703 0.355 -3.108) 10.195 9.519 ( 7.126 -9.301 10.970) 16.051 9.638 ( 7.059 -8.192 -1.517) 10.919 9.677 ( -0.159 2.650 -0.007) 2.655 9.784 ( 11.108 -5.824 -2.338) 12.758 10.000 ( -1.450 -1.648 7.380) 7.700 10.141 ( 7.030 -14.436 -5.668) 17.028 10.234 ( 3.731 1.913 14.634) 15.223 10.298 ( 5.091 4.352 6.493) 9.328 10.426 ( -1.839 5.339 7.819) 9.645 10.621 ( 4.545 3.846 2.975) 6.656 10.796 ( 13.570 -0.771 7.324) 15.440 10.863 ( 19.801 3.986 -6.134) 21.109 11.030 ( 5.281 0.281 -10.762) 11.991 11.219 ( 8.616 -3.866 -18.505) 20.776 11.400 ( 3.339 -1.590 2.097) 4.251 11.485 ( 11.550 -2.564 0.280) 11.835 11.679 ( -10.978 -7.328 3.522) 13.661 11.838 ( -1.286 -2.188 -5.554) 6.106 11.984 ( 3.460 2.329 -0.677) 4.225 12.007 ( 2.199 5.588 -3.436) 6.918 12.217 ( 10.720 -11.839 5.321) 16.834 12.324 ( 2.445 -4.981 -3.481) 6.550 12.419 ( 3.457 0.344 3.179) 4.709 12.587 ( -3.686 -5.899 -8.534) 11.010 12.815 ( -0.915 -1.262 2.616) 3.045 12.874 ( 3.528 1.713 0.383) 3.941 12.934 ( -3.172 12.939 2.744) 13.602 13.022 ( 1.064 13.519 -0.381) 13.566 13.147 ( 5.479 -3.408 9.223) 11.256 13.254 ( -2.849 4.305 7.279) 8.923 13.526 ( -5.957 -4.251 1.840) 7.546 13.757 ( -12.739 -3.947 -11.041) 17.314 14.081 ( -14.762 9.920 1.770) 17.873 14.124 ( -17.373 10.898 -1.380) 20.555 14.215 ( 0.509 10.756 -0.728) 10.793 14.290 ( -8.180 8.843 -6.322) 13.604 14.510 ( -6.142 3.828 4.614) 8.584 14.591 ( -0.130 1.239 0.603) 1.384 14.684 ( -8.921 0.115 -0.081) 8.922 14.741 ( -0.134 2.130 -1.405) 2.556 14.794 ( -9.712 0.710 8.537) 12.950 15.021 ( -5.688 -1.795 -8.215) 10.151 15.060 ( -11.222 -2.439 4.835) 12.460 15.141 ( -15.545 -0.398 -1.988) 15.677 15.231 ( -4.647 2.750 0.895) 5.474 15.237 ( -5.618 4.909 -0.340) 7.468 15.434 ( -17.553 -2.009 4.654) 18.270 15.536 ( -11.468 -4.727 -1.658) 12.515 15.561 ( -9.112 -8.840 -1.042) 12.739 15.592 ( -9.609 -8.155 -1.533) 12.696 15.831 ( -9.718 -5.256 2.927) 11.429 15.895 ( -8.576 -5.051 -2.228) 10.199 16.578 ( 6.166 9.075 7.223) 13.136 16.676 ( -1.084 7.666 11.869) 14.171 16.826 ( 7.631 15.415 -13.251) 21.713 17.026 ( -4.968 9.160 -16.533) 19.543 17.225 ( 14.463 -4.552 11.880) 19.262 17.450 ( 18.336 -5.120 2.808) 19.243 17.689 ( 11.552 -10.692 -9.205) 18.234 17.878 ( 15.962 -10.914 -15.271) 24.639 18.397 ( 3.392 4.342 8.807) 10.388 18.567 ( -3.883 6.858 -3.449) 8.602 18.862 ( 13.098 -5.630 14.632) 20.429 19.172 ( 2.746 -8.018 -5.050) 9.865 19.258 ( -15.913 -6.484 6.078) 18.227 19.443 ( -9.098 0.546 -7.326) 11.693 19.763 ( -0.955 -14.151 0.417) 14.190 19.787 ( -2.972 -13.032 -0.364) 13.372 20.297 ( 3.463 6.147 5.019) 8.659 20.351 ( 1.419 3.415 3.140) 4.851 20.412 ( 1.557 4.652 2.167) 5.363 20.545 ( 7.257 -2.410 -10.143) 12.702 20.810 ( 8.699 7.221 -0.522) 11.318 20.937 ( 4.824 7.325 -6.936) 11.182 21.086 ( 7.187 -3.319 7.269) 10.747 21.289 ( 3.871 -2.384 -9.372) 10.417 21.548 ( 6.931 9.083 14.825) 18.717 21.756 ( 8.481 6.758 -2.667) 11.168 22.102 ( 3.637 -3.458 6.672) 8.349 22.192 ( 0.722 -8.713 -0.932) 8.792 22.461 ( 0.673 5.107 -1.573) 5.386 22.475 ( 0.182 3.689 -2.225) 4.311 22.596 ( 2.244 0.100 3.538) 4.191 22.692 ( 3.170 -1.117 -4.078) 5.285 25.497 ( 0.749 1.326 0.532) 1.613 25.508 ( 0.566 1.853 -0.403) 1.979 25.603 ( -1.959 -0.815 0.937) 2.319 25.637 ( -2.341 -0.946 -2.028) 3.238 25.711 ( -2.731 -0.105 2.795) 3.910 25.764 ( -3.647 0.356 0.807) 3.752 25.778 ( -4.326 -0.517 -0.037) 4.357 25.833 ( -6.450 0.488 -2.317) 6.870 26.618 ( 6.222 2.113 2.545) 7.046 26.685 ( 5.106 1.351 -2.637) 5.903 26.777 ( 3.845 0.555 1.251) 4.081 26.813 ( 4.449 -1.891 -0.929) 4.923 26.869 ( 2.618 0.159 0.216) 2.631 26.879 ( 1.982 1.049 -0.550) 2.309 26.935 ( 1.352 -0.654 2.377) 2.812 26.994 ( -0.093 -0.845 -2.854) 2.978 27.922 ( 5.216 1.665 2.001) 5.829 27.976 ( 3.221 3.168 -2.654) 5.240 28.155 ( 2.377 2.893 3.244) 4.954 28.208 ( 5.731 -0.933 -1.632) 6.031 28.224 ( 6.975 -3.740 -0.344) 7.922 28.252 ( 2.171 1.429 -1.946) 3.246 28.573 ( 3.771 -3.965 3.566) 6.532 28.663 ( 0.339 -8.168 -4.298) 9.236 28.966 ( -4.781 -1.027 5.160) 7.109 29.047 ( -4.985 2.558 -2.262) 6.043 29.155 ( 0.465 -1.504 2.320) 2.803 29.179 ( -2.113 1.696 -0.110) 2.712 29.260 ( -9.746 7.283 0.292) 12.170 29.304 ( -9.912 -0.783 -3.660) 10.595 29.576 ( -8.896 -4.764 2.989) 10.525 29.631 ( -10.120 -3.395 -1.707) 10.810 ======================= Grid point 70 (29/36) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -1.689 -5.473 8.513) 10.260 1.444 ( -5.126 -6.385 -8.652) 11.912 1.625 ( -9.523 -1.710 0.619) 9.695 1.772 ( -12.325 -6.091 -9.955) 16.974 2.233 ( -4.749 15.615 5.886) 17.350 2.330 ( -8.726 14.453 -0.340) 16.887 2.640 ( -14.586 -0.588 14.030) 20.247 2.774 ( -3.112 -8.912 1.038) 9.497 2.927 ( -14.113 -0.981 8.981) 16.757 3.120 ( -4.426 -3.947 1.608) 6.145 3.142 ( -3.341 -0.269 -6.378) 7.205 3.213 ( 8.888 -2.651 -4.044) 10.118 3.266 ( -5.806 6.707 5.612) 10.497 3.406 ( -2.447 9.676 1.577) 10.104 3.656 ( -3.403 0.972 -3.627) 5.067 3.707 ( -9.448 12.075 -5.765) 16.380 3.946 ( -1.585 0.648 6.855) 7.066 3.994 ( -2.639 2.666 0.847) 3.846 4.073 ( 2.088 1.303 -0.351) 2.486 4.182 ( 1.246 -4.400 -9.609) 10.641 4.251 ( 4.564 7.358 -0.077) 8.659 4.371 ( -5.311 2.152 4.276) 7.150 4.469 ( -3.284 9.026 -9.538) 13.536 4.545 ( 0.759 4.332 -5.602) 7.122 4.717 ( -3.962 0.327 3.910) 5.576 4.845 ( 0.139 2.197 -4.140) 4.689 4.963 ( -8.579 -0.526 4.704) 9.798 5.030 ( -4.566 5.372 -0.376) 7.060 5.283 ( 4.486 7.990 16.030) 18.464 5.412 ( 4.325 4.893 -0.907) 6.593 5.606 ( 1.534 1.394 -0.858) 2.243 5.704 ( 8.323 -2.129 -8.068) 11.786 5.834 ( 2.200 9.584 8.265) 12.845 5.992 ( 4.536 2.066 0.374) 4.999 6.145 ( 2.529 -2.467 5.021) 6.140 6.225 ( 1.817 1.429 0.001) 2.312 6.278 ( -6.443 0.076 -5.800) 8.670 6.330 ( -4.199 -3.692 0.456) 5.609 6.373 ( 7.409 -5.022 -7.140) 11.450 6.394 ( -6.841 -5.317 -1.807) 8.851 6.562 ( 3.409 -2.206 -1.474) 4.319 6.634 ( 3.310 -2.807 0.517) 4.370 6.659 ( -1.818 2.538 -0.751) 3.211 6.767 ( 0.416 -0.997 -10.523) 10.578 6.928 ( 3.034 0.592 3.976) 5.036 6.974 ( -1.988 3.006 1.325) 3.840 7.029 ( 4.209 -2.417 7.470) 8.908 7.138 ( -4.344 3.307 1.075) 5.565 7.278 ( 1.181 -3.425 5.693) 6.748 7.327 ( 4.727 -2.750 8.870) 10.420 7.342 ( 0.408 -3.899 0.257) 3.928 7.398 ( -2.282 -3.118 0.477) 3.893 7.440 ( 2.557 1.991 2.810) 4.289 7.536 ( 7.566 0.847 4.722) 8.958 7.627 ( 9.059 10.081 -1.924) 13.689 7.681 ( 2.583 -5.137 0.017) 5.750 7.723 ( -0.621 1.582 -1.333) 2.160 7.763 ( -1.632 -1.172 -0.172) 2.016 7.927 ( -3.186 -5.447 -3.888) 7.412 7.979 ( -4.100 -7.056 -11.674) 14.243 8.198 ( 1.410 2.293 -0.314) 2.710 8.225 ( 5.325 -1.231 -8.224) 9.875 8.323 ( 1.412 3.718 -10.924) 11.626 8.412 ( 0.200 -0.963 -13.810) 13.845 8.479 ( 0.843 6.073 -1.769) 6.381 8.568 ( 5.093 -0.693 -1.070) 5.250 8.649 ( -1.163 -4.311 8.064) 9.217 8.761 ( 6.881 -1.595 0.553) 7.085 8.809 ( -1.488 -10.248 8.338) 13.295 8.925 ( 6.158 -3.990 3.204) 8.007 9.007 ( 2.129 2.029 -2.492) 3.854 9.038 ( 0.006 -9.949 -0.732) 9.975 9.080 ( 8.817 -4.221 2.011) 9.980 9.252 ( 13.658 1.579 -6.002) 15.003 9.356 ( 7.080 -1.945 1.080) 7.421 9.437 ( -7.816 3.985 6.533) 10.938 9.615 ( 7.356 -5.965 3.485) 10.092 9.678 ( 6.351 13.146 5.417) 15.573 9.843 ( -3.133 -4.616 -3.317) 6.490 9.895 ( 1.188 1.931 1.512) 2.725 10.013 ( 7.363 -9.324 3.619) 12.420 10.088 ( -5.476 -4.210 5.390) 8.761 10.213 ( -8.966 4.574 5.459) 11.451 10.470 ( 9.417 4.722 0.256) 10.537 10.602 ( 10.488 4.105 0.805) 11.291 10.687 ( 10.802 -2.931 -9.692) 14.806 10.972 ( 4.954 -3.930 2.581) 6.829 11.086 ( 6.143 0.153 -6.361) 8.845 11.334 ( -2.518 -2.517 7.772) 8.549 11.358 ( -1.909 -6.491 10.719) 12.675 11.481 ( 20.705 -3.951 -4.478) 21.549 11.559 ( 3.569 -3.212 -6.010) 7.693 11.624 ( 7.257 1.328 -6.853) 10.070 11.755 ( -2.610 -3.860 -14.045) 14.798 12.012 ( 6.347 1.183 2.587) 6.956 12.194 ( 12.855 3.997 -8.542) 15.943 12.282 ( -6.259 -5.000 13.453) 15.658 12.488 ( 12.245 -9.556 2.014) 15.662 12.519 ( -3.421 -12.362 -4.201) 13.498 12.556 ( 3.903 -3.181 -1.640) 5.296 12.725 ( -4.818 1.860 7.641) 9.223 12.833 ( -9.291 -3.760 4.217) 10.874 12.923 ( 3.003 8.942 6.171) 11.272 13.039 ( -4.161 7.025 8.691) 11.925 13.114 ( 0.012 9.711 -5.157) 10.996 13.284 ( 5.406 -2.471 3.346) 6.821 13.371 ( -21.828 3.679 -8.392) 23.673 13.487 ( -4.778 0.165 -8.114) 9.418 13.745 ( -12.330 9.583 0.603) 15.628 13.791 ( -12.333 8.847 -3.328) 15.539 13.975 ( -18.552 10.640 5.755) 22.147 14.144 ( -12.740 9.339 -7.652) 17.552 14.489 ( 1.706 3.773 3.737) 5.578 14.526 ( -1.711 1.644 0.516) 2.428 14.640 ( -0.618 2.819 -0.092) 2.887 14.648 ( 5.080 0.904 -2.077) 5.562 14.801 ( -4.603 1.745 5.134) 7.113 14.813 ( -12.705 1.635 3.235) 13.212 14.882 ( -4.749 -2.419 0.768) 5.384 14.978 ( -4.256 -1.720 -3.722) 5.910 15.137 ( -5.671 5.268 2.299) 8.075 15.172 ( -5.286 -2.291 3.005) 6.498 15.218 ( -0.738 3.866 -1.457) 4.196 15.331 ( -6.833 -3.241 -5.256) 9.209 15.475 ( 0.760 -9.593 0.422) 9.632 15.489 ( -1.003 -9.204 -1.016) 9.314 15.669 ( -7.332 -5.187 3.493) 9.637 15.728 ( -8.467 -3.728 -1.586) 9.386 16.650 ( 1.568 8.012 10.385) 13.210 16.674 ( 0.550 9.219 8.487) 12.543 16.919 ( 2.298 13.646 -12.575) 18.698 16.960 ( -1.856 11.147 -13.709) 17.766 17.498 ( 13.047 -9.146 11.871) 19.870 17.733 ( 8.298 -13.633 6.456) 17.216 17.868 ( 7.053 -12.201 -11.161) 17.977 18.054 ( 2.137 -14.766 -12.237) 19.296 18.483 ( 5.099 13.751 5.677) 15.726 18.596 ( 8.053 8.508 -3.245) 12.156 18.923 ( -13.771 -2.106 6.110) 15.212 19.029 ( -10.893 -1.827 -3.285) 11.523 19.199 ( 14.492 -6.850 13.345) 20.857 19.509 ( 9.290 -10.289 -11.333) 17.906 19.677 ( -7.235 -12.813 4.565) 15.407 19.751 ( -2.236 -17.430 -2.318) 17.725 20.348 ( 1.431 10.332 3.771) 11.092 20.395 ( 2.327 8.178 0.362) 8.511 20.410 ( 0.100 9.518 3.811) 10.253 20.585 ( -2.470 6.375 -10.305) 12.366 20.986 ( 9.052 4.861 1.383) 10.367 21.083 ( 8.654 0.240 -5.375) 10.191 21.180 ( 1.718 -2.957 6.376) 7.236 21.309 ( -1.759 -4.096 -4.219) 6.138 21.751 ( 12.603 6.455 9.423) 17.009 21.932 ( 9.287 4.176 -4.892) 11.297 22.115 ( -2.635 -1.275 5.073) 5.857 22.199 ( -1.159 -6.198 -2.013) 6.619 22.460 ( 0.289 3.531 -0.440) 3.571 22.477 ( 1.235 3.239 -1.501) 3.777 22.580 ( -3.238 0.177 3.762) 4.967 22.674 ( -4.367 -1.279 -3.785) 5.919 25.513 ( 0.966 1.037 0.450) 1.487 25.519 ( 0.650 1.286 -0.062) 1.442 25.566 ( -1.708 0.029 0.751) 1.866 25.586 ( -2.646 -0.071 -0.843) 2.778 25.671 ( -1.119 -0.270 1.687) 2.042 25.706 ( -2.059 -0.621 0.645) 2.245 25.712 ( -2.412 -0.349 -1.475) 2.849 25.728 ( -4.023 -0.077 -1.186) 4.195 26.731 ( 5.119 1.832 1.694) 5.695 26.773 ( 3.733 1.209 -1.498) 4.200 26.830 ( 1.354 0.893 0.716) 1.773 26.852 ( -0.591 1.121 -0.643) 1.421 26.912 ( 2.842 -1.328 0.307) 3.152 26.920 ( 1.712 -0.766 -0.250) 1.892 26.956 ( 0.482 -0.814 1.110) 1.458 26.986 ( -0.777 -1.034 -1.372) 1.885 28.026 ( 5.140 3.116 0.869) 6.073 28.051 ( 4.266 3.238 -1.272) 5.504 28.159 ( -1.211 2.706 2.136) 3.654 28.203 ( -2.489 4.233 -1.552) 5.150 28.382 ( 8.028 -5.783 0.279) 9.898 28.403 ( 8.961 -5.680 -0.963) 10.653 28.618 ( -0.575 -8.000 0.680) 8.049 28.657 ( -0.930 -10.001 -1.789) 10.202 28.901 ( -1.812 4.338 2.990) 5.572 28.958 ( -2.671 5.421 -1.205) 6.163 29.057 ( -7.915 5.656 1.104) 9.790 29.090 ( -6.973 7.549 -1.366) 10.367 29.201 ( 3.558 -2.961 1.781) 4.960 29.248 ( 1.904 -2.607 -2.099) 3.850 29.417 ( -7.152 -4.150 1.506) 8.405 29.448 ( -8.314 -2.965 -1.007) 8.884 ======================= Grid point 71 (30/36) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -16.977 -10.715 3.551) 20.387 1.385 ( 16.977 -10.715 3.551) 20.387 1.514 ( -10.506 -10.417 -7.292) 16.494 1.514 ( 10.506 -10.417 -7.292) 16.494 2.307 ( -10.012 9.183 10.123) 16.942 2.307 ( 10.012 9.183 10.123) 16.942 2.423 ( -16.248 10.325 2.152) 19.371 2.423 ( 16.248 10.325 2.152) 19.371 2.962 ( -8.635 -4.215 2.660) 9.970 2.962 ( 8.635 -4.214 2.660) 9.970 3.117 ( -2.430 0.487 -6.939) 7.368 3.117 ( 2.430 0.487 -6.939) 7.368 3.423 ( -5.172 -2.530 4.567) 7.349 3.423 ( 5.172 -2.530 4.567) 7.349 3.607 ( -2.624 9.947 -7.226) 12.572 3.607 ( 2.624 9.947 -7.226) 12.572 3.936 ( -1.804 -1.458 7.097) 7.467 3.936 ( 1.804 -1.458 7.097) 7.467 4.148 ( -4.286 0.762 -7.891) 9.012 4.148 ( 4.286 0.762 -7.891) 9.012 4.291 ( -1.412 8.530 5.722) 10.368 4.291 ( 1.412 8.530 5.722) 10.368 4.479 ( -3.827 6.480 -7.204) 10.418 4.479 ( 3.827 6.480 -7.204) 10.418 4.797 ( -7.825 1.363 6.158) 10.050 4.797 ( 7.825 1.363 6.158) 10.050 4.927 ( -5.262 6.511 -2.879) 8.852 4.927 ( 5.262 6.511 -2.879) 8.852 5.515 ( -8.216 4.110 5.628) 10.774 5.515 ( 8.216 4.110 5.628) 10.774 5.572 ( -9.483 5.403 0.935) 10.954 5.572 ( 9.483 5.403 0.935) 10.954 5.992 ( -10.958 0.598 1.358) 11.058 5.992 ( 10.958 0.598 1.358) 11.058 6.110 ( -7.532 3.757 -3.946) 9.296 6.110 ( 7.532 3.757 -3.946) 9.296 6.281 ( -3.846 -2.923 0.361) 4.844 6.281 ( 3.846 -2.923 0.361) 4.844 6.396 ( -3.793 -8.092 -5.684) 10.591 6.396 ( 3.793 -8.092 -5.684) 10.591 6.625 ( -3.357 -2.252 0.951) 4.152 6.625 ( 3.357 -2.252 0.951) 4.152 6.739 ( -4.880 -2.542 -5.910) 8.075 6.739 ( 4.880 -2.542 -5.910) 8.075 6.972 ( -2.239 5.048 2.009) 5.876 6.972 ( 2.239 5.048 2.009) 5.876 7.066 ( -1.377 4.339 -2.665) 5.275 7.066 ( 1.378 4.339 -2.665) 5.275 7.281 ( -3.837 -6.082 10.834) 13.003 7.281 ( 3.837 -6.082 10.834) 13.003 7.371 ( -0.661 -6.158 5.301) 8.152 7.371 ( 0.661 -6.158 5.301) 8.152 7.551 ( -7.286 0.664 6.459) 9.759 7.551 ( 7.286 0.664 6.459) 9.759 7.661 ( -1.987 4.538 6.787) 8.403 7.661 ( 1.987 4.538 6.787) 8.403 7.832 ( -5.660 -2.563 -10.788) 12.449 7.832 ( 5.660 -2.563 -10.788) 12.449 7.882 ( -5.907 -2.145 -15.795) 16.999 7.882 ( 5.907 -2.145 -15.794) 16.999 8.251 ( -3.595 -0.137 -1.755) 4.002 8.251 ( 3.595 -0.137 -1.755) 4.003 8.354 ( -5.772 1.583 -8.168) 10.126 8.354 ( 5.772 1.583 -8.168) 10.126 8.548 ( -3.814 -5.024 5.841) 8.597 8.548 ( 3.814 -5.024 5.841) 8.597 8.753 ( -8.450 -6.398 -7.157) 12.789 8.753 ( 8.450 -6.398 -7.157) 12.789 8.902 ( -5.186 -3.606 11.617) 13.223 8.902 ( 5.186 -3.606 11.617) 13.223 9.074 ( -8.596 -3.139 1.496) 9.272 9.074 ( 8.596 -3.139 1.496) 9.272 9.206 ( -7.124 -1.502 9.624) 12.068 9.206 ( 7.124 -1.502 9.624) 12.068 9.461 ( -0.887 -1.683 -2.498) 3.140 9.461 ( 0.887 -1.683 -2.498) 3.140 9.759 ( -2.338 0.257 4.146) 4.766 9.759 ( 2.338 0.257 4.146) 4.767 9.842 ( -8.385 7.423 -6.282) 12.840 9.842 ( 8.385 7.423 -6.282) 12.840 9.973 ( -8.438 4.753 5.409) 11.093 9.973 ( 8.438 4.753 5.409) 11.093 10.344 ( -16.056 5.413 -16.821) 23.875 10.344 ( 16.056 5.413 -16.821) 23.875 10.819 ( -14.158 -12.050 14.786) 23.755 10.819 ( 14.158 -12.050 14.786) 23.755 11.113 ( -11.145 -0.080 -5.160) 12.282 11.113 ( 11.145 -0.080 -5.160) 12.282 11.253 ( -4.479 -0.207 4.652) 6.461 11.253 ( 4.479 -0.207 4.652) 6.461 11.523 ( -6.105 -3.225 -14.780) 16.313 11.523 ( 6.105 -3.225 -14.780) 16.313 12.003 ( -18.386 -5.161 5.475) 19.866 12.003 ( 18.386 -5.161 5.475) 19.866 12.141 ( -21.213 -8.185 -0.681) 22.748 12.141 ( 21.214 -8.185 -0.681) 22.748 12.317 ( -10.643 -1.284 9.817) 14.536 12.317 ( 10.643 -1.284 9.817) 14.536 12.498 ( -10.524 -3.504 -0.736) 11.116 12.498 ( 10.524 -3.504 -0.736) 11.116 12.807 ( -2.253 -2.270 4.380) 5.423 12.807 ( 2.253 -2.270 4.380) 5.423 12.943 ( -12.328 3.781 -6.612) 14.491 12.943 ( 12.328 3.781 -6.612) 14.491 13.212 ( -16.052 2.793 0.375) 16.298 13.212 ( 16.052 2.793 0.375) 16.298 13.263 ( -11.376 10.822 -3.215) 16.027 13.263 ( 11.376 10.822 -3.215) 16.027 13.680 ( -9.347 8.036 5.816) 13.629 13.680 ( 9.347 8.036 5.816) 13.629 13.865 ( -12.341 7.371 -9.492) 17.226 13.865 ( 12.341 7.371 -9.492) 17.226 14.555 ( -3.294 2.141 4.973) 6.338 14.555 ( 3.294 2.141 4.973) 6.338 14.605 ( -5.004 3.612 2.559) 6.682 14.605 ( 5.004 3.612 2.559) 6.682 14.772 ( -6.606 -0.780 0.489) 6.670 14.772 ( 6.606 -0.780 0.489) 6.670 14.845 ( -7.550 1.937 -3.958) 8.742 14.845 ( 7.550 1.937 -3.958) 8.742 15.104 ( -1.471 -0.204 5.496) 5.693 15.104 ( 1.471 -0.204 5.496) 5.693 15.245 ( -2.717 -1.125 -6.166) 6.831 15.245 ( 2.717 -1.125 -6.166) 6.831 15.539 ( -5.039 -6.330 2.081) 8.354 15.539 ( 5.039 -6.330 2.081) 8.354 15.571 ( -6.902 -4.972 -0.580) 8.526 15.571 ( 6.902 -4.972 -0.580) 8.526 16.672 ( -0.801 8.576 9.329) 12.697 16.672 ( 0.801 8.576 9.329) 12.697 16.941 ( -0.518 12.254 -12.526) 17.531 16.941 ( 0.518 12.254 -12.526) 17.531 17.714 ( -7.971 -15.674 10.960) 20.721 17.714 ( 7.971 -15.674 10.960) 20.721 18.007 ( -5.901 -10.434 -12.762) 17.509 18.007 ( 5.901 -10.434 -12.762) 17.509 18.646 ( -10.740 8.350 7.478) 15.524 18.646 ( 10.740 8.350 7.478) 15.524 18.814 ( -10.081 3.457 -5.970) 12.215 18.814 ( 10.081 3.457 -5.970) 12.215 19.481 ( -12.706 -11.464 9.320) 19.487 19.481 ( 12.706 -11.464 9.320) 19.487 19.670 ( -6.304 -15.946 -6.236) 18.246 19.670 ( 6.304 -15.946 -6.236) 18.246 20.373 ( -1.481 11.108 4.167) 11.956 20.373 ( 1.481 11.108 4.167) 11.956 20.498 ( -5.451 10.701 -6.309) 13.566 20.498 ( 5.451 10.701 -6.309) 13.566 21.137 ( -5.400 0.196 4.113) 6.791 21.137 ( 5.400 0.196 4.113) 6.791 21.233 ( -5.747 -2.696 -3.976) 7.490 21.233 ( 5.747 -2.696 -3.976) 7.490 21.985 ( -9.877 2.550 6.223) 11.949 21.985 ( 9.877 2.550 6.223) 11.949 22.109 ( -7.531 -0.128 -3.950) 8.505 22.109 ( 7.531 -0.128 -3.950) 8.505 22.498 ( -3.300 0.873 2.263) 4.095 22.498 ( 3.300 0.873 2.263) 4.095 22.560 ( -5.796 0.033 -2.670) 6.381 22.560 ( 5.796 0.033 -2.670) 6.381 25.535 ( -0.475 0.584 0.545) 0.929 25.535 ( 0.475 0.584 0.545) 0.930 25.543 ( -1.060 0.729 -0.075) 1.288 25.543 ( 1.060 0.729 -0.075) 1.288 25.672 ( -1.301 -0.341 0.393) 1.401 25.672 ( 1.301 -0.341 0.393) 1.401 25.689 ( -0.294 -0.585 -0.922) 1.131 25.689 ( 0.294 -0.585 -0.922) 1.131 26.812 ( -2.995 1.525 0.725) 3.438 26.812 ( 2.995 1.525 0.725) 3.438 26.827 ( -1.516 1.156 -0.474) 1.964 26.827 ( 1.516 1.156 -0.474) 1.964 26.948 ( -0.937 -1.046 0.426) 1.467 26.948 ( 0.937 -1.046 0.426) 1.467 26.961 ( -1.766 -1.282 -0.561) 2.253 26.961 ( 1.766 -1.282 -0.561) 2.253 28.111 ( -3.133 2.859 1.018) 4.362 28.111 ( 3.133 2.859 1.018) 4.362 28.137 ( -3.818 3.990 -1.062) 5.624 28.137 ( 3.818 3.990 -1.062) 5.624 28.513 ( -3.111 -8.759 2.711) 9.683 28.513 ( 3.111 -8.759 2.711) 9.683 28.596 ( -3.918 -8.420 -4.280) 10.226 28.596 ( 3.918 -8.420 -4.280) 10.226 28.916 ( -3.440 7.060 3.849) 8.746 28.916 ( 3.440 7.060 3.849) 8.746 28.990 ( -2.797 6.993 -2.388) 7.901 28.990 ( 2.797 6.993 -2.388) 7.901 29.292 ( -5.500 -3.529 1.048) 6.618 29.292 ( 5.500 -3.529 1.048) 6.618 29.317 ( -4.811 -2.820 -0.945) 5.656 29.317 ( 4.811 -2.820 -0.945) 5.656 ======================= Grid point 77 (31/36) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 0.000 22.725 28.053) 36.103 2.169 ( 0.000 15.397 12.638) 19.920 2.355 ( 0.000 9.507 11.072) 14.594 2.408 ( 0.000 19.267 1.253) 19.308 2.654 ( 0.000 11.154 -10.802) 15.527 2.688 ( 0.000 5.638 -14.861) 15.894 2.822 ( 0.000 -8.175 -16.405) 18.329 2.978 ( 0.000 2.504 -15.854) 16.050 2.993 ( 0.000 -12.424 -3.143) 12.816 3.048 ( 0.000 -1.431 -7.187) 7.328 3.064 ( 0.000 -24.067 3.667) 24.345 3.222 ( 0.000 0.525 8.795) 8.810 3.248 ( 0.000 -26.465 -6.002) 27.137 3.291 ( 0.000 -5.415 7.172) 8.987 3.488 ( 0.000 0.669 -11.986) 12.005 3.530 ( 0.000 -1.202 -8.852) 8.933 3.927 ( 0.000 16.568 -5.910) 17.591 3.945 ( 0.000 27.788 26.843) 38.636 4.053 ( 0.000 14.757 -13.001) 19.667 4.350 ( 0.000 -4.283 -10.774) 11.594 4.603 ( 0.000 10.719 17.125) 20.203 4.608 ( 0.000 7.616 6.460) 9.987 4.698 ( 0.000 3.633 2.405) 4.357 4.700 ( 0.000 3.555 7.439) 8.244 4.802 ( 0.000 2.713 8.586) 9.004 4.865 ( 0.000 -7.408 9.675) 12.186 4.951 ( 0.000 -9.585 3.803) 10.312 4.989 ( 0.000 -4.886 5.154) 7.102 5.087 ( 0.000 -12.857 2.389) 13.077 5.430 ( 0.000 -26.696 29.172) 39.543 5.571 ( 0.000 22.478 -22.788) 32.008 5.725 ( 0.000 2.625 10.947) 11.257 5.735 ( 0.000 -0.518 4.967) 4.994 5.812 ( 0.000 21.975 -13.964) 26.036 5.852 ( 0.000 -5.899 0.641) 5.933 6.124 ( 0.000 -2.538 4.100) 4.822 6.238 ( 0.000 2.488 2.784) 3.734 6.245 ( 0.000 4.231 -5.577) 7.000 6.331 ( 0.000 4.129 6.189) 7.440 6.432 ( 0.000 -10.176 -3.660) 10.814 6.493 ( 0.000 8.195 -12.359) 14.830 6.539 ( 0.000 4.538 -23.920) 24.347 6.611 ( 0.000 -6.008 0.357) 6.018 6.680 ( 0.000 -2.698 -14.736) 14.981 6.770 ( 0.000 -1.632 -5.389) 5.631 6.774 ( 0.000 -5.457 -4.210) 6.892 6.921 ( 0.000 5.013 -16.743) 17.477 6.994 ( 0.000 10.103 -6.489) 12.008 7.142 ( 0.000 -4.790 5.225) 7.088 7.152 ( 0.000 -1.128 -4.568) 4.705 7.187 ( 0.000 -12.298 -14.162) 18.756 7.268 ( 0.000 -9.215 -3.406) 9.825 7.496 ( 0.000 3.379 10.224) 10.768 7.618 ( 0.000 -7.077 13.139) 14.924 7.794 ( 0.000 8.412 -6.556) 10.665 7.815 ( 0.000 0.862 6.725) 6.780 7.875 ( 0.000 2.589 9.596) 9.939 7.945 ( 0.000 -6.101 -7.612) 9.755 7.947 ( 0.000 2.869 2.800) 4.009 8.044 ( 0.000 1.835 4.696) 5.042 8.089 ( 0.000 -3.445 -3.518) 4.923 8.104 ( 0.000 -4.159 -3.397) 5.370 8.139 ( 0.000 -5.585 -4.922) 7.444 8.140 ( 0.000 -2.726 -12.349) 12.647 8.334 ( 0.000 1.997 14.692) 14.827 8.362 ( 0.000 -2.755 12.405) 12.707 8.599 ( 0.000 -0.610 0.375) 0.717 8.599 ( 0.000 3.342 5.334) 6.295 8.635 ( 0.000 -1.147 -6.079) 6.186 8.675 ( 0.000 -3.193 -2.741) 4.208 8.751 ( 0.000 2.754 -12.358) 12.661 8.771 ( 0.000 -0.547 -17.555) 17.563 9.077 ( 0.000 14.297 27.789) 31.251 9.121 ( 0.000 13.749 14.808) 20.207 9.224 ( 0.000 2.318 17.301) 17.456 9.470 ( 0.000 -15.661 9.431) 18.281 9.520 ( 0.000 6.112 7.625) 9.773 9.534 ( 0.000 7.018 -11.357) 13.350 9.621 ( 0.000 -4.722 3.818) 6.073 9.692 ( 0.000 13.685 -8.355) 16.033 9.784 ( 0.000 -10.680 0.326) 10.685 9.791 ( 0.000 -2.310 -22.689) 22.807 9.904 ( 0.000 -22.052 -12.201) 25.202 10.048 ( 0.000 -18.563 -2.428) 18.721 10.268 ( 0.000 12.029 14.033) 18.483 10.389 ( 0.000 9.147 4.461) 10.176 10.390 ( 0.000 -2.385 13.783) 13.988 10.565 ( 0.000 -6.997 0.788) 7.041 10.737 ( 0.000 5.607 7.721) 9.542 10.870 ( 0.000 -10.977 16.264) 19.622 10.909 ( 0.000 19.689 -13.011) 23.599 11.316 ( 0.000 -18.716 -16.087) 24.680 11.681 ( 0.000 4.481 3.765) 5.853 11.785 ( 0.000 3.266 -6.316) 7.110 11.797 ( 0.000 -6.592 -1.687) 6.804 11.859 ( 0.000 -4.327 -6.240) 7.594 12.095 ( 0.000 5.747 3.907) 6.949 12.201 ( 0.000 -4.407 6.599) 7.935 12.287 ( 0.000 4.007 -7.301) 8.328 12.390 ( 0.000 -6.608 -6.627) 9.359 12.672 ( 0.000 1.139 3.919) 4.081 12.718 ( 0.000 -3.088 7.108) 7.750 12.774 ( 0.000 6.596 -5.755) 8.754 12.927 ( 0.000 -8.427 -11.586) 14.327 13.580 ( 0.000 18.068 27.139) 32.603 13.807 ( 0.000 -6.271 26.054) 26.798 14.001 ( 0.000 21.062 -5.216) 21.698 14.085 ( 0.000 12.792 -1.013) 12.832 14.190 ( 0.000 -2.564 1.181) 2.823 14.312 ( 0.000 7.359 -16.527) 18.091 14.338 ( 0.000 -7.526 -3.808) 8.435 14.490 ( 0.000 -10.662 -23.876) 26.149 14.639 ( 0.000 20.748 10.421) 23.218 14.898 ( 0.000 16.169 -9.195) 18.600 15.027 ( 0.000 15.455 5.696) 16.472 15.106 ( 0.000 -23.933 4.739) 24.398 15.173 ( 0.000 17.645 -5.538) 18.493 15.228 ( 0.000 -17.823 -5.533) 18.662 15.414 ( 0.000 -20.590 7.058) 21.766 15.528 ( 0.000 -16.194 -2.603) 16.402 15.716 ( 0.000 1.117 3.542) 3.714 15.716 ( 0.000 0.801 6.738) 6.785 15.775 ( 0.000 2.193 -1.022) 2.420 15.833 ( 0.000 -3.000 -2.868) 4.150 16.140 ( 0.000 7.012 2.387) 7.407 16.181 ( 0.000 4.441 -0.460) 4.465 16.225 ( 0.000 -2.914 2.599) 3.904 16.291 ( 0.000 -5.297 -2.042) 5.676 16.424 ( 0.000 1.341 0.577) 1.460 16.470 ( 0.000 -2.680 4.028) 4.838 16.557 ( 0.000 6.915 -12.216) 14.037 16.612 ( 0.000 0.906 -3.105) 3.235 16.785 ( 0.000 -3.760 11.720) 12.308 16.790 ( 0.000 -3.552 1.364) 3.805 17.018 ( 0.000 4.926 -13.819) 14.671 17.142 ( 0.000 -7.221 -18.435) 19.799 18.513 ( 0.000 7.381 24.069) 25.176 18.671 ( 0.000 -8.048 21.750) 23.191 19.048 ( 0.000 8.251 -21.188) 22.738 19.180 ( 0.000 -4.228 -21.450) 21.863 19.754 ( 0.000 -4.235 3.078) 5.235 19.769 ( 0.000 -5.595 5.173) 7.620 19.809 ( 0.000 -0.837 -1.483) 1.703 19.845 ( 0.000 -4.879 -1.765) 5.188 20.199 ( 0.000 4.156 1.968) 4.598 20.282 ( 0.000 3.796 -3.942) 5.472 20.295 ( 0.000 -4.420 3.110) 5.404 20.316 ( 0.000 0.552 3.746) 3.786 20.618 ( 0.000 -0.716 3.527) 3.599 20.620 ( 0.000 -0.721 12.503) 12.524 20.868 ( 0.000 5.850 -14.095) 15.261 20.969 ( 0.000 -3.895 -15.204) 15.695 21.621 ( 0.000 1.612 19.252) 19.319 21.689 ( 0.000 -5.898 23.578) 24.304 21.973 ( 0.000 8.530 6.100) 10.487 21.985 ( 0.000 5.004 -11.785) 12.804 22.119 ( 0.000 -3.582 -7.536) 8.344 22.167 ( 0.000 -5.817 6.005) 8.360 22.196 ( 0.000 7.273 -6.187) 9.549 22.296 ( 0.000 -2.680 -4.480) 5.220 25.493 ( 0.000 2.730 1.165) 2.969 25.529 ( 0.000 3.800 -1.933) 4.264 25.555 ( 0.000 -3.479 1.627) 3.841 25.607 ( 0.000 -3.986 -2.878) 4.917 25.922 ( 0.000 2.816 7.764) 8.259 25.967 ( 0.000 -1.332 10.233) 10.319 26.080 ( 0.000 5.662 -5.086) 7.611 26.183 ( 0.000 -4.293 -6.783) 8.028 26.444 ( 0.000 1.502 -1.212) 1.930 26.463 ( 0.000 -0.577 -0.479) 0.750 26.473 ( 0.000 1.251 -4.067) 4.255 26.490 ( 0.000 -0.556 -3.349) 3.395 26.692 ( 0.000 4.156 4.667) 6.249 26.791 ( 0.000 -5.134 6.644) 8.396 26.815 ( 0.000 7.163 -6.982) 10.003 26.944 ( 0.000 -5.481 -6.743) 8.690 27.714 ( 0.000 0.260 13.929) 13.931 27.746 ( 0.000 -2.852 10.381) 10.766 27.910 ( 0.000 0.072 -3.440) 3.440 27.920 ( 0.000 -0.997 -3.830) 3.958 28.306 ( 0.000 3.311 0.183) 3.316 28.352 ( 0.000 -1.631 3.752) 4.091 28.370 ( 0.000 8.822 -5.038) 10.159 28.531 ( 0.000 -6.745 -11.168) 13.047 29.087 ( 0.000 2.038 9.553) 9.768 29.174 ( 0.000 -7.000 12.814) 14.601 29.320 ( 0.000 6.286 -10.282) 12.052 29.425 ( 0.000 -3.559 -9.345) 9.999 29.774 ( 0.000 1.495 6.847) 7.008 29.859 ( 0.000 -7.743 6.424) 10.061 29.898 ( 0.000 3.033 -3.835) 4.889 29.978 ( 0.000 -5.325 -3.710) 6.491 ======================= Grid point 78 (32/36) ======================= q-point: ( 0.10 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 22.402 30.657 3.170) 38.102 2.277 ( 1.597 18.958 13.008) 23.047 2.322 ( -6.594 16.361 -14.578) 22.884 2.535 ( 8.786 10.931 0.574) 14.036 2.642 ( 7.139 -8.479 3.708) 11.687 2.707 ( -0.208 -0.557 -1.799) 1.895 2.799 ( -6.525 -13.247 5.186) 15.651 2.908 ( -2.906 0.909 4.281) 5.253 2.966 ( 2.735 -4.978 -7.168) 9.146 3.040 ( -1.885 -1.249 -2.453) 3.336 3.092 ( -3.884 0.328 -0.784) 3.976 3.226 ( -9.190 3.931 -1.572) 10.118 3.253 ( -0.725 -18.519 -1.302) 18.579 3.369 ( 12.461 -7.895 0.862) 14.776 3.433 ( 6.760 -1.269 -9.050) 11.367 3.588 ( 7.394 -12.144 -4.617) 14.949 3.911 ( 1.855 18.826 2.950) 19.145 4.081 ( 1.562 14.466 -8.591) 16.897 4.126 ( 7.646 4.532 1.413) 9.000 4.302 ( -5.357 6.039 -5.324) 9.670 4.392 ( -11.535 11.533 9.298) 18.775 4.483 ( -3.166 -0.835 0.314) 3.289 4.579 ( -8.616 -7.161 2.318) 11.441 4.692 ( 2.794 -11.077 -4.018) 12.110 4.815 ( 5.426 17.838 16.234) 24.722 5.025 ( 10.646 5.727 11.832) 16.915 5.071 ( 6.955 0.177 7.986) 10.591 5.177 ( 5.696 -10.870 14.077) 18.675 5.263 ( 12.883 -7.447 3.571) 15.303 5.402 ( -0.199 -17.137 20.411) 26.652 5.533 ( -3.726 18.740 -22.033) 29.163 5.665 ( -1.137 2.757 8.181) 8.708 5.736 ( -4.763 0.332 -4.510) 6.568 5.845 ( 3.612 -9.791 7.262) 12.714 5.966 ( -8.459 2.607 -4.509) 9.933 5.999 ( 3.553 13.709 -4.981) 15.013 6.036 ( -3.904 -2.438 10.694) 11.643 6.202 ( -9.036 -4.823 -12.037) 15.805 6.354 ( -2.044 5.104 -0.584) 5.529 6.388 ( -1.301 3.489 -15.162) 15.613 6.419 ( -7.322 7.164 3.040) 10.685 6.591 ( -3.588 -0.372 -2.824) 4.581 6.620 ( 2.947 -3.962 -2.792) 5.672 6.643 ( -1.663 -0.273 -6.223) 6.447 6.773 ( 7.592 0.992 -8.160) 11.189 6.865 ( 1.097 2.901 -14.735) 15.058 6.951 ( 9.180 -12.044 -8.197) 17.220 7.047 ( -4.071 -3.011 -10.408) 11.575 7.101 ( 3.105 7.273 -1.952) 8.145 7.138 ( 2.526 -0.901 -7.098) 7.587 7.272 ( 2.276 -2.812 0.921) 3.734 7.307 ( 1.140 -7.492 -2.102) 7.864 7.447 ( -2.471 3.333 9.029) 9.937 7.565 ( -2.935 -5.116 3.372) 6.794 7.752 ( -5.997 0.764 -5.465) 8.150 7.817 ( -1.985 -2.648 -6.969) 7.715 7.860 ( -5.104 2.186 2.775) 6.207 7.894 ( 1.094 2.266 8.384) 8.754 7.951 ( 1.792 0.073 8.724) 8.906 8.022 ( -6.399 -3.229 -3.588) 8.015 8.081 ( 1.455 -2.207 3.187) 4.141 8.125 ( 3.164 -1.928 -8.759) 9.511 8.153 ( 4.906 -7.719 -7.446) 11.794 8.161 ( 4.931 -3.425 -4.828) 7.704 8.344 ( -2.913 4.938 4.352) 7.198 8.441 ( 2.104 -2.744 6.401) 7.275 8.503 ( -6.914 3.570 -0.823) 7.824 8.564 ( -3.798 -2.974 0.295) 4.833 8.668 ( 5.361 3.503 6.150) 8.878 8.731 ( 9.144 -5.599 0.291) 10.726 8.830 ( 6.969 3.765 -13.417) 15.580 8.893 ( 9.103 -3.273 -13.530) 16.633 9.047 ( -3.794 11.522 24.323) 27.180 9.107 ( -1.396 11.568 16.143) 19.909 9.213 ( -3.208 2.755 15.557) 16.122 9.316 ( -7.694 -8.701 19.263) 22.493 9.485 ( -5.330 9.898 -15.063) 18.796 9.560 ( -3.229 -0.168 1.850) 3.725 9.623 ( -5.261 6.656 -9.347) 12.623 9.704 ( 8.522 -0.089 -6.400) 10.658 9.777 ( 1.464 -6.622 2.252) 7.146 9.797 ( -0.991 -10.887 -14.344) 18.035 9.954 ( 4.728 -12.423 -11.609) 17.648 10.042 ( 2.104 -17.956 -1.877) 18.176 10.374 ( 7.564 12.402 11.787) 18.707 10.419 ( 3.410 4.165 9.993) 11.351 10.472 ( 4.676 0.300 11.666) 12.572 10.601 ( 4.526 -7.898 4.085) 9.978 10.800 ( 5.515 0.494 5.317) 7.677 10.853 ( 1.052 -4.620 14.666) 15.412 10.959 ( 7.454 17.756 -10.473) 21.921 11.305 ( 1.318 -13.135 -15.951) 20.705 11.722 ( 1.795 1.430 5.425) 5.890 11.804 ( 1.607 0.296 -5.414) 5.655 11.815 ( 0.286 -2.546 -2.278) 3.428 11.910 ( 3.830 -4.865 -6.926) 9.290 12.096 ( 0.495 5.664 4.933) 7.527 12.216 ( 1.121 -4.780 6.904) 8.472 12.319 ( 2.606 2.719 -7.303) 8.217 12.438 ( 3.758 -7.951 -7.433) 11.514 12.685 ( 1.749 2.119 4.214) 5.031 12.754 ( 3.551 -4.123 6.775) 8.690 12.811 ( 3.815 7.320 -7.102) 10.889 12.967 ( 4.359 -7.848 -11.667) 14.721 13.512 ( -6.088 16.942 20.665) 27.407 13.731 ( -7.170 -5.561 19.568) 21.570 13.846 ( -13.201 16.614 -5.947) 22.037 14.070 ( -9.674 -4.075 -6.591) 12.395 14.136 ( 4.664 13.430 3.410) 14.620 14.346 ( 2.176 -3.861 -0.466) 4.457 14.395 ( 4.009 3.558 -13.947) 14.942 14.464 ( 2.295 -3.243 -10.860) 11.564 14.664 ( 0.147 16.755 9.322) 19.174 14.868 ( -3.882 16.044 -4.727) 17.170 15.021 ( -1.636 10.564 3.197) 11.158 15.074 ( -3.437 -8.933 1.762) 9.733 15.122 ( -3.678 -2.071 0.549) 4.257 15.245 ( -2.598 -10.329 -6.174) 12.311 15.364 ( -5.159 -17.155 4.473) 18.464 15.441 ( -8.456 -11.208 -2.135) 14.201 15.614 ( -9.347 1.214 5.143) 10.737 15.622 ( -8.068 -1.487 8.432) 11.765 15.719 ( -5.797 3.785 -3.277) 7.659 15.811 ( -3.676 -5.888 -6.816) 9.728 16.071 ( -7.872 3.980 1.976) 9.040 16.083 ( -9.929 3.778 0.684) 10.645 16.134 ( -9.374 -2.432 2.329) 9.960 16.195 ( -9.204 -5.086 -1.966) 10.698 16.479 ( 6.146 5.413 3.303) 8.831 16.588 ( 10.962 -4.886 6.595) 13.695 16.664 ( 11.095 9.626 -8.713) 17.079 16.751 ( 9.261 -0.355 0.630) 9.289 16.804 ( 4.221 1.758 9.822) 10.834 16.926 ( 13.212 -8.006 -6.960) 16.944 17.142 ( 11.494 1.435 -16.626) 20.264 17.192 ( 4.612 -3.279 -21.063) 21.810 18.441 ( -5.433 7.034 24.580) 26.138 18.601 ( -5.444 -8.282 22.536) 24.619 18.962 ( -7.337 8.114 -20.372) 23.123 19.104 ( -5.944 -4.682 -20.278) 21.643 19.647 ( -8.435 -2.095 7.292) 11.346 19.704 ( -7.350 -5.541 3.924) 10.006 19.795 ( -3.486 -2.683 -1.764) 4.739 19.827 ( -2.959 -6.521 -3.675) 8.049 20.217 ( 0.012 2.146 1.906) 2.870 20.245 ( 1.102 2.945 -0.028) 3.144 20.305 ( 0.144 -1.381 -0.922) 1.667 20.358 ( 0.368 -3.351 -4.161) 5.355 20.574 ( 2.845 5.885 12.354) 13.976 20.675 ( 5.094 -4.109 12.734) 14.317 20.925 ( 5.795 6.237 -15.867) 18.007 21.029 ( 5.990 -3.928 -15.296) 16.890 21.664 ( 3.398 3.546 17.381) 18.062 21.716 ( 1.629 -1.277 19.997) 20.104 21.897 ( -1.352 8.150 1.967) 8.492 22.039 ( -1.406 -5.233 -4.564) 7.084 22.238 ( 13.560 3.308 -2.093) 14.114 22.285 ( 10.067 2.648 -3.808) 11.084 22.321 ( 9.052 -2.122 -1.467) 9.412 22.366 ( 6.534 -2.696 -3.127) 7.729 25.503 ( 0.883 2.749 1.189) 3.123 25.539 ( 0.867 3.813 -1.932) 4.362 25.566 ( 0.846 -3.485 1.604) 3.928 25.618 ( 0.771 -4.022 -3.035) 5.098 25.882 ( -3.596 2.835 6.800) 8.198 25.930 ( -3.494 -1.730 8.453) 9.309 26.022 ( -5.258 5.003 -4.637) 8.613 26.109 ( -6.477 -3.292 -6.129) 9.505 26.463 ( 3.313 3.014 1.349) 4.678 26.509 ( 4.748 -0.373 -0.682) 4.811 26.537 ( 4.676 -0.083 -2.921) 5.514 26.567 ( 5.699 -1.801 -3.394) 6.873 26.727 ( 3.370 3.639 4.370) 6.610 26.810 ( 1.973 -3.662 5.600) 6.976 26.853 ( 3.100 5.016 -6.135) 8.510 26.952 ( 0.653 -4.221 -5.883) 7.270 27.757 ( 3.845 0.623 10.352) 11.060 27.797 ( 5.360 -3.212 7.998) 10.150 27.925 ( 1.626 0.605 -3.722) 4.106 27.946 ( 2.563 -1.420 -4.004) 4.961 28.307 ( 0.190 4.622 0.154) 4.628 28.351 ( -1.643 8.378 -2.881) 9.011 28.376 ( 2.103 -2.627 3.191) 4.638 28.521 ( -1.005 -7.692 -8.958) 11.850 29.075 ( -1.113 1.171 8.593) 8.743 29.135 ( -3.507 -4.967 11.627) 13.121 29.290 ( -2.902 4.940 -9.166) 10.809 29.376 ( -4.694 -2.559 -8.903) 10.385 29.704 ( -6.904 1.410 5.541) 8.964 29.787 ( -6.689 -6.760 6.271) 11.392 29.806 ( -8.458 4.428 -3.156) 10.055 29.903 ( -6.981 -5.321 -3.597) 9.486 ======================= Grid point 79 (33/36) ======================= q-point: ( 0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -16.595 9.722 5.361) 19.966 2.201 ( -17.186 13.893 7.359) 23.293 2.265 ( -19.132 -1.284 7.150) 20.464 2.452 ( -17.234 -7.876 -1.477) 19.006 2.529 ( 12.357 19.692 -5.946) 23.997 2.620 ( -1.493 12.200 -9.259) 15.388 2.839 ( -0.360 3.256 -3.469) 4.771 2.893 ( 1.833 3.909 -7.265) 8.451 3.020 ( -0.962 -1.111 3.641) 3.927 3.092 ( 5.947 -1.922 0.522) 6.272 3.170 ( -1.768 3.421 3.829) 5.430 3.255 ( 19.544 -1.095 -1.841) 19.661 3.278 ( 5.828 -10.623 10.557) 16.071 3.508 ( -1.094 3.373 -4.962) 6.099 3.572 ( 1.038 -13.060 5.026) 14.033 3.703 ( 3.748 -12.390 -9.065) 15.803 3.873 ( -5.004 14.283 1.686) 15.228 4.042 ( 4.475 6.283 -3.896) 8.642 4.154 ( 2.882 -4.563 -7.464) 9.211 4.269 ( -7.158 -8.555 -4.573) 12.056 4.442 ( 7.793 8.187 2.206) 11.516 4.491 ( 4.577 7.291 -0.872) 8.653 4.633 ( 10.486 -3.506 3.764) 11.679 4.762 ( -2.064 -6.569 -3.857) 7.892 4.856 ( 2.319 11.584 19.359) 22.679 5.097 ( -7.734 -3.620 10.047) 13.186 5.178 ( 2.933 5.206 9.807) 11.484 5.252 ( 4.203 -0.952 6.451) 7.758 5.273 ( -3.488 2.920 -0.388) 4.565 5.352 ( -11.897 -1.542 -5.609) 13.243 5.489 ( 0.462 6.192 -3.606) 7.180 5.576 ( -9.446 -0.928 -11.160) 14.650 5.723 ( 2.303 -0.897 2.661) 3.632 5.820 ( 1.274 7.687 5.368) 9.462 5.886 ( 1.071 -9.244 7.680) 12.066 5.972 ( 5.396 4.508 -3.103) 7.686 6.084 ( 4.470 -2.955 12.250) 13.370 6.234 ( 9.024 -4.591 5.059) 11.319 6.276 ( 2.605 6.632 17.434) 18.833 6.427 ( 7.093 4.944 -1.531) 8.781 6.446 ( -1.011 -2.034 3.423) 4.109 6.508 ( -3.071 1.952 -11.513) 12.074 6.686 ( 5.316 -0.365 -8.188) 9.769 6.721 ( 7.169 -3.413 -7.117) 10.663 6.865 ( -0.242 2.215 -7.904) 8.212 6.884 ( 2.418 1.252 -9.422) 9.807 7.031 ( -0.055 -3.372 -10.589) 11.113 7.039 ( 3.580 -4.384 -7.337) 9.266 7.156 ( -0.665 9.809 -10.103) 14.097 7.163 ( 2.395 5.466 -12.840) 14.159 7.279 ( -3.117 -6.975 -1.149) 7.726 7.306 ( 4.278 -2.818 3.645) 6.287 7.420 ( -2.638 0.445 3.207) 4.176 7.495 ( -3.193 -4.318 -1.135) 5.489 7.580 ( -8.556 -0.729 -1.492) 8.715 7.701 ( -7.580 -9.268 -8.658) 14.776 7.858 ( -4.720 5.801 6.057) 9.623 7.881 ( -2.113 0.299 3.361) 3.981 7.930 ( 4.220 3.705 8.442) 10.139 8.020 ( 4.429 -3.887 8.263) 10.149 8.111 ( 0.499 -2.980 0.880) 3.147 8.201 ( -1.414 2.329 0.292) 2.740 8.219 ( 1.139 -7.670 -10.752) 13.256 8.291 ( 0.566 0.025 0.895) 1.059 8.353 ( 10.445 2.231 -10.155) 14.737 8.402 ( 5.365 0.146 0.415) 5.383 8.515 ( 4.017 -1.575 3.297) 5.430 8.538 ( 4.064 -5.756 -1.763) 7.263 8.786 ( 5.005 5.181 13.318) 15.141 8.886 ( -5.961 6.725 8.297) 12.231 8.900 ( 4.475 -3.962 11.281) 12.766 8.981 ( -5.976 2.781 1.516) 6.763 9.028 ( 0.622 1.931 2.038) 2.876 9.119 ( 1.145 3.919 3.735) 5.533 9.129 ( 16.511 -4.324 -10.241) 19.905 9.244 ( -9.518 -5.594 5.926) 12.530 9.350 ( -1.810 2.098 -7.646) 8.133 9.432 ( -7.272 -1.415 -10.807) 13.103 9.516 ( -4.466 2.234 -13.745) 14.624 9.698 ( -6.104 -9.013 -14.398) 18.050 9.889 ( 8.746 0.475 7.419) 11.479 9.926 ( 10.409 -3.392 1.784) 11.092 10.074 ( 7.679 -2.807 -0.541) 8.194 10.195 ( 10.939 -15.021 -3.237) 18.862 10.415 ( 1.114 6.085 11.718) 13.251 10.518 ( 2.720 1.616 14.712) 15.049 10.554 ( 7.692 6.737 7.758) 12.835 10.765 ( 8.835 -11.051 1.104) 14.192 10.936 ( 7.590 8.088 8.511) 13.980 10.960 ( 9.756 0.163 6.754) 11.867 11.209 ( 15.485 7.936 -3.416) 17.732 11.399 ( 6.567 -3.835 -11.924) 14.143 11.695 ( -4.776 -3.878 6.862) 9.216 11.762 ( -2.623 -6.766 4.068) 8.319 11.849 ( 1.334 4.695 -9.167) 10.386 11.975 ( 3.574 -5.772 -8.825) 11.134 12.137 ( 3.384 6.033 3.951) 7.966 12.248 ( 2.733 -1.859 4.184) 5.332 12.348 ( -0.497 0.686 -7.137) 7.187 12.479 ( -0.367 -9.212 -7.711) 12.019 12.749 ( 4.269 2.830 5.404) 7.446 12.843 ( 4.869 -5.215 7.031) 10.017 12.923 ( 7.100 7.811 -8.034) 13.265 13.081 ( 5.839 -6.729 -10.125) 13.487 13.377 ( -6.955 13.532 10.026) 18.221 13.552 ( -11.067 3.636 4.488) 12.484 13.590 ( -10.835 6.030 2.780) 12.708 13.844 ( -12.165 -10.246 -8.474) 18.021 14.262 ( 6.925 12.142 5.724) 15.104 14.431 ( 5.678 -0.306 2.454) 6.193 14.462 ( 3.952 5.185 -6.407) 9.140 14.566 ( 3.202 4.804 -0.891) 5.842 14.637 ( -0.423 8.291 3.036) 8.839 14.755 ( -7.721 16.748 -2.051) 18.555 14.912 ( -9.661 6.429 2.081) 11.790 14.929 ( -12.348 8.104 0.378) 14.774 15.013 ( -8.176 -11.481 4.345) 14.749 15.126 ( -11.161 -14.339 -1.060) 18.201 15.176 ( -10.485 -7.633 -2.441) 13.197 15.213 ( -12.449 -7.473 -2.751) 14.778 15.404 ( -10.682 1.671 5.963) 12.348 15.453 ( -9.125 -2.816 6.536) 11.572 15.578 ( -7.580 0.167 -4.107) 8.622 15.664 ( -11.426 -6.154 -6.386) 14.464 15.802 ( -16.803 2.696 2.818) 17.250 15.849 ( -15.143 3.319 -1.280) 15.555 15.899 ( -11.977 -6.947 2.840) 14.134 15.951 ( -14.664 -5.924 -1.545) 15.891 16.651 ( 10.135 11.178 8.588) 17.361 16.813 ( 6.811 -0.061 11.431) 13.306 16.871 ( 10.235 0.890 12.742) 16.368 16.934 ( 14.433 7.766 -5.998) 17.453 17.024 ( 13.393 1.734 -0.610) 13.519 17.192 ( 9.036 -4.869 -18.111) 20.818 17.310 ( 8.781 0.013 -20.723) 22.506 17.397 ( 12.870 -5.761 -20.134) 24.581 18.385 ( 1.149 5.729 22.563) 23.307 18.536 ( 0.181 -8.007 23.324) 24.661 18.836 ( -3.998 8.245 -16.811) 19.145 19.009 ( -2.966 -7.186 -16.800) 18.512 19.445 ( -12.142 -1.428 10.728) 16.265 19.531 ( -7.613 -9.405 5.487) 13.286 19.654 ( -9.965 -1.131 -5.317) 11.351 19.713 ( -7.281 -6.686 -8.024) 12.732 20.280 ( 6.134 1.497 1.394) 6.466 20.300 ( 4.281 -0.420 1.205) 4.467 20.349 ( 5.588 1.597 -1.429) 5.985 20.383 ( 4.406 -0.267 -2.578) 5.112 20.733 ( 9.942 4.751 10.047) 14.911 20.823 ( 8.736 -4.218 13.111) 16.310 21.044 ( 5.000 6.479 -14.163) 16.358 21.150 ( 5.096 -4.150 -13.426) 14.948 21.718 ( 0.936 9.947 11.983) 15.602 21.760 ( 5.320 5.369 9.774) 12.355 21.933 ( 4.325 -1.410 6.280) 7.754 22.015 ( -0.889 -8.091 -0.668) 8.167 22.460 ( 7.406 1.713 -2.015) 7.864 22.477 ( 7.438 2.726 -2.889) 8.433 22.490 ( 7.446 -0.567 -0.749) 7.505 22.531 ( 9.345 -1.712 -3.043) 9.976 25.521 ( 0.793 2.577 1.110) 2.915 25.553 ( 0.420 3.412 -1.635) 3.807 25.578 ( 0.251 -3.012 1.322) 3.299 25.623 ( -0.397 -3.352 -2.617) 4.271 25.801 ( -4.317 2.225 4.918) 6.912 25.844 ( -4.889 -1.841 5.678) 7.716 25.904 ( -6.167 3.475 -3.583) 7.934 25.965 ( -7.638 -2.194 -4.351) 9.060 26.558 ( 5.875 3.745 2.133) 7.286 26.617 ( 5.748 0.926 -1.445) 5.999 26.645 ( 5.923 -1.984 -0.788) 6.296 26.677 ( 5.370 -1.876 -2.133) 6.075 26.807 ( 4.274 2.262 3.472) 5.953 26.858 ( 2.589 -2.120 4.243) 5.404 26.907 ( 1.993 2.819 -3.826) 5.153 26.963 ( 0.457 -2.402 -4.171) 4.834 27.857 ( 6.218 2.973 5.069) 8.555 27.936 ( 7.825 -3.856 2.379) 9.042 27.976 ( 3.871 0.960 -3.632) 5.394 28.020 ( 4.958 -2.548 -3.245) 6.450 28.299 ( -1.306 8.536 1.700) 8.801 28.335 ( 0.429 5.357 -1.085) 5.483 28.424 ( 2.605 -4.485 2.061) 5.581 28.494 ( -1.554 -9.556 -3.767) 10.388 29.041 ( -2.590 0.724 7.716) 8.171 29.075 ( -1.441 -2.200 6.689) 7.187 29.217 ( -4.255 2.414 -6.862) 8.427 29.264 ( -5.934 -1.147 -7.660) 9.757 29.530 ( -9.993 2.715 4.039) 11.116 29.608 ( -10.606 6.060 -1.963) 12.372 29.632 ( -8.878 -5.998 4.896) 11.779 29.732 ( -9.833 -5.854 -3.244) 11.895 ======================= Grid point 80 (34/36) ======================= q-point: ( 0.30 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -29.569 6.827 10.643) 32.159 1.700 ( -22.685 0.201 8.318) 24.163 1.949 ( -18.666 0.760 -4.049) 19.116 1.990 ( -23.147 -3.282 -11.971) 26.265 2.606 ( -5.057 7.264 9.045) 12.656 2.667 ( 0.737 -0.043 7.833) 7.868 2.806 ( -9.326 4.551 0.179) 10.379 2.833 ( -4.315 8.521 -8.504) 12.788 2.987 ( -0.550 0.945 7.394) 7.475 3.115 ( -2.418 0.810 -0.881) 2.698 3.169 ( -5.651 1.715 -6.025) 8.436 3.284 ( -8.678 -3.421 -9.343) 13.202 3.434 ( 7.942 7.927 9.962) 15.005 3.638 ( 11.313 -5.458 6.080) 13.955 3.699 ( 5.017 4.930 3.596) 7.900 3.725 ( 6.139 -8.044 5.903) 11.715 3.828 ( -1.605 3.880 0.653) 4.250 4.062 ( -4.096 6.312 -10.049) 12.554 4.114 ( -7.474 -8.053 -3.481) 11.525 4.256 ( 7.172 -11.255 -15.565) 20.504 4.454 ( -8.949 8.125 1.286) 12.155 4.481 ( -4.659 6.918 8.543) 11.939 4.620 ( -5.749 4.894 -8.801) 11.596 4.690 ( -0.695 1.203 -7.045) 7.181 4.859 ( -4.762 6.937 6.706) 10.760 4.952 ( -6.050 2.645 -0.310) 6.610 5.125 ( -5.369 -0.599 4.746) 7.190 5.231 ( -3.606 2.471 1.451) 4.606 5.277 ( 4.166 2.458 -2.136) 5.287 5.389 ( 5.336 -2.790 2.398) 6.482 5.414 ( 3.098 -2.796 -8.268) 9.261 5.494 ( 2.185 -5.258 -4.189) 7.068 5.853 ( 4.968 2.303 13.402) 14.477 5.887 ( 6.962 0.571 8.916) 11.326 6.054 ( 11.227 2.834 9.091) 14.722 6.126 ( 3.362 6.123 1.834) 7.222 6.182 ( 9.785 -7.233 4.804) 13.082 6.333 ( 1.306 4.418 5.468) 7.150 6.338 ( -4.789 -5.170 -7.984) 10.649 6.391 ( -2.707 -2.662 1.998) 4.290 6.525 ( 5.362 5.366 9.036) 11.798 6.588 ( 6.882 0.467 4.585) 8.283 6.780 ( 4.862 1.936 -6.256) 8.156 6.812 ( 2.264 -2.296 -7.688) 8.337 6.854 ( 0.106 2.199 2.957) 3.687 6.923 ( 0.503 -4.711 -0.388) 4.754 7.049 ( -6.322 4.969 -9.428) 12.391 7.090 ( 6.885 2.932 -4.187) 8.575 7.137 ( 1.785 -2.429 -3.008) 4.258 7.196 ( -1.255 -2.575 -8.476) 8.947 7.271 ( 2.245 1.368 -3.859) 4.670 7.350 ( -5.122 -2.773 -6.255) 8.546 7.456 ( 2.882 -5.130 -5.905) 8.336 7.476 ( 6.018 -1.918 -2.320) 6.729 7.511 ( 6.304 4.423 0.651) 7.728 7.644 ( 5.613 -4.509 -8.116) 10.849 7.781 ( -2.244 5.207 5.711) 8.047 7.809 ( -2.954 0.459 4.248) 5.195 7.961 ( -1.940 8.197 11.281) 14.079 8.042 ( -4.142 3.491 12.111) 13.267 8.093 ( 0.614 -8.218 -8.675) 11.965 8.192 ( -1.427 -8.462 -2.000) 8.812 8.283 ( 3.260 1.381 4.436) 5.676 8.340 ( 5.688 -4.086 3.682) 7.912 8.455 ( 5.114 4.439 -2.576) 7.245 8.546 ( 0.797 -2.515 3.689) 4.535 8.573 ( 1.924 2.383 7.280) 7.898 8.671 ( 3.100 -7.243 4.645) 9.146 8.730 ( -0.352 5.023 -11.228) 12.306 8.838 ( -6.580 -7.122 8.280) 12.750 8.942 ( 2.208 3.667 2.285) 4.851 8.969 ( -4.280 3.751 -7.958) 9.784 9.053 ( 5.133 5.614 -7.241) 10.502 9.110 ( 4.618 0.186 2.878) 5.445 9.178 ( 6.859 -0.384 2.719) 7.388 9.328 ( 2.874 -11.098 1.777) 11.601 9.413 ( 6.351 3.549 -9.663) 12.095 9.490 ( 10.257 -2.759 -15.651) 18.915 9.561 ( 1.727 -12.662 -16.007) 20.483 9.603 ( 9.929 -11.130 -12.354) 19.367 10.005 ( 2.129 7.333 10.730) 13.169 10.097 ( 5.416 2.698 8.321) 10.288 10.217 ( 6.518 -1.229 4.374) 7.946 10.332 ( 4.942 -4.672 3.091) 7.470 10.573 ( 12.552 0.906 8.775) 15.342 10.643 ( 5.437 10.103 6.592) 13.232 10.735 ( 15.523 -4.875 13.267) 20.994 10.882 ( 2.543 -8.130 1.581) 8.664 11.047 ( 4.867 8.649 2.240) 10.174 11.164 ( 8.547 -1.331 2.998) 9.155 11.427 ( -2.588 -0.240 -7.946) 8.360 11.500 ( 9.964 -0.947 -3.937) 10.756 11.576 ( -3.422 2.934 6.936) 8.272 11.803 ( 4.644 -11.201 7.500) 14.258 11.902 ( 5.695 5.751 -11.782) 14.294 12.092 ( 8.282 -6.315 -9.970) 14.418 12.202 ( 3.872 7.286 -1.066) 8.320 12.248 ( -6.074 5.495 -6.175) 10.258 12.364 ( 4.462 -6.598 0.541) 7.983 12.427 ( -4.225 -9.249 -3.963) 10.914 12.819 ( 2.081 3.841 7.096) 8.333 12.921 ( 2.896 -1.563 7.216) 7.931 13.030 ( 0.540 -0.528 0.393) 0.851 13.097 ( -5.630 -1.463 5.365) 7.913 13.288 ( -0.631 9.287 -0.126) 9.309 13.376 ( -6.194 11.745 -5.474) 14.363 13.440 ( -2.526 -5.282 -3.394) 6.768 13.606 ( -11.269 -10.087 -8.801) 17.499 14.345 ( -7.695 13.949 4.287) 16.498 14.365 ( -14.782 11.291 3.188) 18.872 14.458 ( -10.270 8.051 3.894) 13.618 14.489 ( -10.908 2.806 2.777) 11.600 14.584 ( -3.568 6.557 0.334) 7.472 14.647 ( -2.753 2.922 -4.879) 6.319 14.708 ( -11.283 -1.804 5.803) 12.816 14.763 ( 0.690 6.132 1.704) 6.402 14.826 ( 0.697 4.109 -2.724) 4.979 14.873 ( -8.834 -7.610 -4.830) 12.620 15.028 ( -4.525 -6.915 1.206) 8.351 15.089 ( -5.327 -9.414 -3.232) 11.289 15.237 ( -7.078 1.893 3.188) 7.990 15.266 ( -7.528 1.131 1.029) 7.682 15.379 ( -15.623 -5.910 2.023) 16.825 15.398 ( -11.474 -7.318 0.282) 13.612 15.520 ( -10.700 5.889 -0.792) 12.239 15.529 ( -15.115 5.236 -1.256) 16.045 15.678 ( -11.601 -8.935 0.970) 14.674 15.713 ( -7.725 -11.386 -1.766) 13.872 16.818 ( 5.966 13.296 12.748) 19.362 16.900 ( 3.888 13.774 10.477) 17.737 17.076 ( 8.789 -8.186 13.078) 17.757 17.173 ( 8.272 9.564 -8.938) 15.485 17.248 ( 5.840 3.828 -6.807) 9.751 17.278 ( 5.709 1.211 -7.446) 9.460 17.494 ( 7.972 -8.121 -19.563) 22.632 17.614 ( 8.490 -15.091 -18.000) 24.977 18.493 ( 8.995 5.439 15.758) 18.942 18.608 ( 6.002 -4.528 17.627) 19.163 18.831 ( 3.079 4.785 -9.496) 11.070 18.987 ( 0.089 -9.731 -10.714) 14.474 19.226 ( -8.707 4.736 10.442) 14.397 19.432 ( -3.222 -14.836 5.606) 16.184 19.467 ( -7.422 2.629 -9.115) 12.045 19.582 ( -6.178 -8.576 -5.878) 12.094 20.409 ( 6.919 3.675 2.873) 8.344 20.420 ( 6.513 2.466 2.292) 7.332 20.487 ( 5.231 1.844 0.118) 5.548 20.503 ( 8.324 -1.162 -2.640) 8.810 20.913 ( 8.376 3.989 4.034) 10.117 20.987 ( 7.664 -3.425 8.265) 11.780 21.106 ( 1.666 5.923 -9.551) 11.361 21.213 ( 1.514 -4.807 -9.164) 10.458 21.768 ( 4.910 11.657 9.925) 16.078 21.890 ( 7.191 4.739 2.306) 8.915 22.012 ( 1.854 -7.566 2.137) 8.078 22.028 ( 3.682 -4.777 2.769) 6.636 22.538 ( 1.100 2.749 -0.832) 3.076 22.560 ( 1.389 3.632 -1.369) 4.123 22.589 ( 1.898 0.005 0.068) 1.899 22.651 ( 2.321 -3.130 -3.675) 5.356 25.532 ( 0.333 2.073 0.902) 2.285 25.555 ( -0.196 2.543 -0.973) 2.730 25.574 ( -0.591 -1.885 0.925) 2.181 25.605 ( -1.281 -2.221 -1.708) 3.081 25.723 ( -3.470 1.292 3.132) 4.850 25.752 ( -4.205 -1.396 3.215) 5.475 25.793 ( -5.071 1.653 -2.534) 5.905 25.825 ( -6.415 -1.266 -2.752) 7.094 26.676 ( 5.881 3.638 1.814) 7.149 26.723 ( 4.998 1.976 -1.674) 5.629 26.755 ( 5.046 -2.856 0.414) 5.813 26.774 ( 4.498 -1.660 -1.290) 4.965 26.876 ( 2.428 1.118 2.075) 3.384 26.903 ( 1.854 -0.701 2.014) 2.825 26.929 ( 0.307 1.501 -1.179) 1.933 26.968 ( -0.088 -1.804 -2.530) 3.108 27.990 ( 6.993 5.055 1.786) 8.812 28.047 ( 4.641 4.014 -3.204) 6.922 28.108 ( 8.025 -6.249 0.338) 10.177 28.135 ( 6.567 -4.362 -1.914) 8.113 28.276 ( -0.943 7.801 3.770) 8.715 28.342 ( -0.173 6.026 -1.971) 6.342 28.463 ( -1.478 -9.920 0.548) 10.045 28.469 ( 1.438 -7.146 0.084) 7.290 29.001 ( -1.013 3.570 4.822) 6.084 29.072 ( 0.709 -2.420 2.676) 3.677 29.129 ( -4.073 1.684 -4.379) 6.213 29.180 ( -2.218 -2.208 -4.714) 5.658 29.338 ( -9.145 4.964 3.516) 10.984 29.407 ( -9.637 7.098 -2.251) 12.179 29.459 ( -8.378 -6.532 3.923) 11.324 29.537 ( -9.740 -5.910 -2.585) 11.683 ======================= Grid point 81 (35/36) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -9.447 7.673 10.272) 15.926 1.355 ( -9.905 -4.755 5.471) 12.274 1.569 ( -16.799 -1.577 -8.659) 18.965 1.619 ( -16.938 -6.542 -10.688) 21.069 2.440 ( -8.382 5.152 9.812) 13.895 2.538 ( -9.649 -1.672 5.266) 11.119 2.574 ( -11.711 3.328 -0.003) 12.175 2.702 ( -13.123 -4.469 -8.939) 16.495 2.974 ( -3.996 6.727 4.166) 8.864 3.008 ( 0.873 -0.440 5.644) 5.728 3.117 ( 0.512 -0.802 -1.056) 1.421 3.249 ( 4.976 -3.301 -11.104) 12.608 3.368 ( -13.474 6.588 12.924) 19.799 3.509 ( -6.762 1.513 13.007) 14.737 3.686 ( -9.352 1.872 -5.298) 10.911 3.800 ( -10.320 -6.863 -0.476) 12.403 3.974 ( 12.272 -4.094 0.712) 12.957 4.011 ( 4.838 -3.835 11.482) 13.037 4.102 ( 3.038 16.217 -9.694) 19.136 4.210 ( -3.858 6.865 3.842) 8.762 4.443 ( 1.953 5.863 -1.559) 6.373 4.496 ( -2.728 8.633 -8.182) 12.203 4.576 ( 2.652 -0.705 -7.677) 8.152 4.615 ( -2.540 -3.014 -8.974) 9.802 4.827 ( -0.482 10.659 2.429) 10.943 4.890 ( 4.809 3.681 0.949) 6.130 5.013 ( -3.895 6.076 -3.466) 8.006 5.118 ( -4.396 0.326 -7.848) 9.001 5.392 ( 5.690 2.153 7.890) 9.963 5.465 ( 5.053 1.552 3.215) 6.187 5.549 ( 2.127 -7.893 1.127) 8.252 5.583 ( 5.731 -7.703 -4.280) 10.512 5.930 ( 3.952 1.814 7.679) 8.825 6.033 ( 7.206 2.362 6.394) 9.919 6.136 ( 0.912 -4.929 11.158) 12.233 6.183 ( -4.162 4.202 2.859) 6.569 6.239 ( -2.249 -5.565 4.328) 7.400 6.303 ( -0.789 -1.609 -5.579) 5.860 6.312 ( 0.623 1.833 -6.530) 6.810 6.364 ( -2.259 -0.972 -9.388) 9.705 6.588 ( 2.427 5.082 6.077) 8.286 6.641 ( 1.085 2.865 4.891) 5.771 6.728 ( -5.627 4.818 -0.710) 7.442 6.819 ( -1.645 2.315 -5.795) 6.453 6.929 ( 0.010 -2.402 2.882) 3.751 6.956 ( 2.820 2.591 -2.410) 4.525 6.999 ( 3.875 -3.893 -2.734) 6.136 7.086 ( -0.003 -7.480 3.295) 8.174 7.174 ( -0.623 -2.234 -2.068) 3.107 7.232 ( 0.711 -5.213 -1.647) 5.513 7.266 ( -3.050 -3.905 -5.299) 7.254 7.276 ( -0.132 -4.608 -4.913) 6.737 7.574 ( 5.297 5.988 3.627) 8.779 7.602 ( 6.112 1.477 1.038) 6.373 7.644 ( 1.634 1.387 1.133) 2.424 7.742 ( 2.807 11.081 -0.853) 11.463 7.773 ( -1.505 -6.951 -7.748) 10.517 7.820 ( 6.033 5.323 4.656) 9.296 7.936 ( -3.015 6.287 7.759) 10.431 7.977 ( 1.096 10.767 1.484) 10.924 8.111 ( 2.371 -12.340 -3.424) 13.024 8.172 ( 0.180 -5.928 -6.800) 9.023 8.320 ( 2.860 0.014 2.728) 3.952 8.436 ( 1.094 -9.094 -2.871) 9.599 8.466 ( -4.494 2.612 -8.295) 9.789 8.550 ( -2.710 -2.972 2.204) 4.587 8.630 ( 2.299 0.702 10.665) 10.932 8.648 ( -3.162 2.623 -8.913) 9.814 8.692 ( 0.950 -5.374 4.243) 6.912 8.775 ( 6.572 -9.478 5.983) 12.993 8.890 ( -3.568 1.103 -3.043) 4.818 9.010 ( -0.218 -6.473 -5.513) 8.506 9.135 ( 4.199 8.920 5.687) 11.382 9.307 ( 6.743 -4.791 3.492) 8.978 9.330 ( 13.384 6.233 -5.168) 15.642 9.447 ( 6.417 -2.863 -0.266) 7.031 9.582 ( 10.940 1.366 -4.079) 11.756 9.630 ( 0.063 -2.734 -1.038) 2.925 9.658 ( 10.979 -9.933 -1.125) 14.848 9.797 ( 0.566 -12.123 -0.164) 12.138 10.099 ( 10.877 13.371 1.950) 17.346 10.207 ( 8.030 8.955 -3.322) 12.478 10.308 ( 0.640 3.196 13.782) 14.163 10.483 ( 9.968 -7.165 -3.361) 12.728 10.603 ( -1.540 2.028 1.705) 3.064 10.789 ( -5.843 -7.070 8.322) 12.385 10.822 ( 2.360 9.925 4.059) 10.980 11.103 ( 3.743 -5.197 -12.145) 13.730 11.189 ( 19.566 -4.127 11.087) 22.865 11.271 ( 2.353 -2.313 -0.416) 3.326 11.451 ( 13.057 -1.752 -8.618) 15.743 11.510 ( -2.882 -2.971 -8.815) 9.738 11.658 ( 2.982 6.529 0.262) 7.183 11.823 ( -5.052 11.097 -6.057) 13.615 11.990 ( -1.523 -14.016 5.881) 15.276 12.122 ( -3.463 -2.071 3.046) 5.056 12.228 ( 2.198 -5.456 -5.669) 8.170 12.325 ( 0.779 -1.679 3.015) 3.538 12.373 ( 12.320 0.219 -5.557) 13.517 12.469 ( 4.058 -5.553 -3.334) 7.643 12.794 ( -5.123 4.653 7.876) 10.485 12.844 ( -11.492 3.951 7.294) 14.173 12.961 ( -1.313 -5.278 5.512) 7.744 13.019 ( -3.840 -4.188 4.063) 6.986 13.265 ( 0.672 5.228 4.511) 6.938 13.343 ( -5.372 -1.591 -2.144) 5.999 13.418 ( 8.039 11.378 -9.742) 16.999 13.560 ( 3.895 -1.404 -10.338) 11.137 13.929 ( -19.228 9.472 3.465) 21.713 14.009 ( -21.669 8.550 -1.726) 23.359 14.096 ( -19.298 2.093 1.584) 19.475 14.222 ( -18.796 -3.839 -6.249) 20.176 14.567 ( 3.756 4.127 7.393) 9.262 14.598 ( 0.706 3.010 8.223) 8.785 14.725 ( 4.116 7.187 -3.598) 9.030 14.778 ( 0.269 5.226 -4.335) 6.795 14.835 ( -0.782 6.865 4.441) 8.214 14.877 ( -10.017 2.740 3.072) 10.830 14.924 ( -2.857 3.173 -0.789) 4.342 14.940 ( 0.668 2.483 -2.852) 3.840 15.086 ( -7.495 -0.810 2.487) 7.939 15.156 ( -8.615 -7.438 -2.801) 11.722 15.206 ( -0.600 -15.369 0.526) 15.390 15.229 ( -5.286 -10.330 -1.022) 11.649 15.341 ( 0.245 4.671 0.769) 4.741 15.377 ( -4.040 7.773 -2.194) 9.031 15.509 ( -6.514 -9.709 2.975) 12.064 15.572 ( -7.011 -10.484 -2.207) 12.804 16.897 ( 2.873 15.898 12.773) 20.595 16.953 ( 1.022 18.085 10.899) 21.140 17.203 ( 3.887 -5.029 5.241) 8.238 17.246 ( 1.162 10.589 -10.476) 14.941 17.316 ( 3.478 10.368 -7.707) 13.379 17.388 ( 2.622 -13.371 6.292) 15.008 17.624 ( 5.361 -14.763 -18.449) 24.229 17.714 ( 1.893 -19.388 -15.661) 24.995 18.689 ( 9.688 6.274 8.734) 14.474 18.731 ( 6.358 3.310 8.863) 11.399 18.884 ( -0.225 0.768 0.101) 0.807 18.972 ( -2.542 -4.899 -4.234) 6.956 19.165 ( 3.679 5.732 8.394) 10.809 19.372 ( -1.170 -3.781 -6.431) 7.551 19.405 ( -1.200 -13.903 0.458) 13.963 19.459 ( -6.778 -8.496 -1.694) 11.000 20.523 ( 3.833 6.037 3.028) 7.766 20.538 ( 5.619 4.300 1.427) 7.218 20.560 ( 2.221 5.041 1.878) 5.820 20.624 ( 3.190 -1.362 -3.489) 4.920 21.062 ( 6.616 2.212 -0.851) 7.028 21.109 ( 4.313 -1.979 2.474) 5.351 21.133 ( 1.574 3.041 -4.792) 5.889 21.218 ( -0.947 -4.653 -5.445) 7.225 21.905 ( 8.307 8.372 7.507) 13.980 22.021 ( 5.650 3.799 -0.646) 6.839 22.065 ( 3.371 -6.998 2.743) 8.238 22.085 ( 1.301 -2.020 2.354) 3.364 22.529 ( -1.118 2.531 -0.411) 2.797 22.545 ( -2.016 3.384 -1.192) 4.115 22.574 ( -2.660 -0.252 0.440) 2.708 22.630 ( -3.737 -3.176 -3.259) 5.888 25.538 ( 0.405 1.356 0.695) 1.576 25.550 ( -0.183 1.545 -0.202) 1.569 25.560 ( -0.663 -0.625 0.654) 1.121 25.578 ( -1.450 -0.925 -0.624) 1.830 25.672 ( -1.532 0.491 1.463) 2.175 25.689 ( -2.071 -1.026 1.048) 2.538 25.711 ( -3.178 0.297 -1.556) 3.551 25.721 ( -3.997 -0.592 -1.523) 4.319 26.780 ( 4.566 3.003 1.095) 5.574 26.807 ( 3.469 2.063 -1.000) 4.158 26.835 ( 2.893 -1.414 0.560) 3.268 26.848 ( 2.660 -1.652 -0.632) 3.195 26.903 ( 0.668 0.752 0.816) 1.296 26.919 ( -0.225 1.262 -0.503) 1.377 26.931 ( 0.159 -1.451 0.884) 1.707 26.957 ( -1.028 -1.863 -1.156) 2.422 28.117 ( 5.588 5.950 0.623) 8.186 28.142 ( 5.036 5.777 -1.453) 7.800 28.248 ( 5.614 -5.733 0.600) 8.046 28.254 ( -0.929 5.604 2.690) 6.285 28.270 ( 6.554 -6.489 -0.484) 9.235 28.318 ( -2.318 6.449 -2.315) 7.233 28.427 ( -2.136 -10.159 1.286) 10.461 28.473 ( -1.464 -8.689 -2.033) 9.043 29.006 ( 1.609 5.854 2.815) 6.692 29.071 ( -0.097 5.523 -2.500) 6.064 29.118 ( 2.677 -4.870 1.948) 5.889 29.173 ( 1.321 -3.813 -2.294) 4.642 29.182 ( -6.651 6.086 2.439) 9.339 29.238 ( -7.367 6.757 -1.991) 10.193 29.312 ( -6.616 -6.298 2.414) 9.448 29.362 ( -7.887 -5.536 -1.786) 9.800 ======================= Grid point 82 (36/36) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -12.690 0.080 1.031) 12.732 1.284 ( 12.691 0.080 1.031) 12.733 1.349 ( -7.959 -5.931 -4.030) 10.713 1.349 ( 7.959 -5.931 -4.030) 10.713 2.387 ( -3.760 2.713 4.322) 6.339 2.387 ( 3.760 2.713 4.322) 6.339 2.478 ( -4.834 -5.074 -1.884) 7.257 2.478 ( 4.834 -5.074 -1.884) 7.257 2.992 ( -3.446 9.203 9.675) 13.790 2.992 ( 3.446 9.203 9.675) 13.790 3.157 ( -3.557 -3.728 0.797) 5.214 3.157 ( 3.557 -3.728 0.797) 5.214 3.410 ( -4.258 5.286 -0.580) 6.813 3.410 ( 4.258 5.286 -0.580) 6.813 3.585 ( -5.268 -9.552 -9.596) 14.528 3.585 ( 5.268 -9.552 -9.596) 14.528 4.079 ( -2.318 10.659 11.832) 16.093 4.079 ( 2.318 10.659 11.832) 16.093 4.174 ( -3.488 0.669 3.687) 5.119 4.174 ( 3.488 0.669 3.687) 5.119 4.444 ( -0.604 7.689 -3.332) 8.401 4.444 ( 0.604 7.689 -3.332) 8.401 4.578 ( -1.720 -1.976 -11.421) 11.718 4.578 ( 1.720 -1.976 -11.421) 11.718 4.919 ( -4.997 11.906 2.355) 13.125 4.919 ( 4.997 11.906 2.355) 13.125 5.044 ( -4.745 2.838 -7.248) 9.116 5.044 ( 4.745 2.838 -7.248) 9.116 5.520 ( -4.540 -2.964 5.094) 7.439 5.520 ( 4.540 -2.964 5.094) 7.439 5.569 ( -4.759 -6.254 2.005) 8.110 5.569 ( 4.759 -6.254 2.005) 8.110 6.039 ( -6.504 6.607 5.686) 10.876 6.039 ( 6.504 6.607 5.686) 10.876 6.157 ( -2.397 0.817 0.761) 2.644 6.157 ( 2.397 0.817 0.761) 2.644 6.244 ( -3.711 -4.749 -0.659) 6.063 6.244 ( 3.711 -4.749 -0.659) 6.063 6.285 ( -1.506 -2.039 -2.372) 3.471 6.285 ( 1.506 -2.039 -2.372) 3.471 6.635 ( -2.856 5.719 2.501) 6.865 6.635 ( 2.856 5.719 2.501) 6.865 6.755 ( -5.534 -0.174 -1.547) 5.749 6.755 ( 5.534 -0.174 -1.547) 5.749 6.950 ( -2.062 -0.983 -0.219) 2.295 6.950 ( 2.062 -0.983 -0.219) 2.295 7.059 ( -2.998 -6.732 -3.263) 8.060 7.059 ( 2.998 -6.732 -3.263) 8.060 7.215 ( -2.572 -0.500 1.661) 3.102 7.215 ( 2.572 -0.500 1.661) 3.102 7.256 ( -2.420 -3.972 -1.621) 4.925 7.256 ( 2.420 -3.972 -1.621) 4.925 7.605 ( -2.344 4.397 1.748) 5.281 7.605 ( 2.344 4.397 1.748) 5.281 7.694 ( -3.691 -3.932 -4.322) 6.911 7.694 ( 3.691 -3.932 -4.322) 6.911 7.848 ( -3.874 9.949 3.708) 11.302 7.848 ( 3.874 9.949 3.708) 11.302 7.964 ( -4.071 5.521 -1.046) 6.939 7.964 ( 4.071 5.521 -1.046) 6.939 8.194 ( -7.513 -4.617 -3.287) 9.411 8.194 ( 7.513 -4.617 -3.287) 9.411 8.304 ( -7.853 -9.426 -11.352) 16.715 8.304 ( 7.853 -9.426 -11.352) 16.715 8.520 ( -4.886 3.885 2.663) 6.787 8.520 ( 4.886 3.885 2.663) 6.787 8.624 ( -2.932 -5.324 -1.958) 6.386 8.624 ( 2.932 -5.324 -1.958) 6.386 8.794 ( -5.508 -0.744 2.824) 6.235 8.794 ( 5.508 -0.744 2.824) 6.235 8.918 ( -7.390 -9.881 -5.245) 13.407 8.918 ( 7.390 -9.881 -5.245) 13.407 9.334 ( -14.027 8.759 14.541) 22.021 9.334 ( 14.027 8.759 14.541) 22.021 9.446 ( -4.630 -1.922 8.594) 9.949 9.446 ( 4.630 -1.922 8.594) 9.949 9.705 ( -4.473 -1.800 0.394) 4.838 9.705 ( 4.473 -1.800 0.394) 4.838 9.775 ( -1.475 -7.750 -3.993) 8.841 9.775 ( 1.475 -7.750 -3.993) 8.841 10.219 ( -5.450 15.041 9.278) 18.493 10.219 ( 5.450 15.041 9.278) 18.494 10.485 ( -13.324 -6.234 8.469) 16.974 10.485 ( 13.325 -6.234 8.469) 16.974 10.649 ( -13.522 8.638 -13.387) 20.897 10.649 ( 13.522 8.638 -13.387) 20.897 10.955 ( -18.119 -14.774 -18.807) 30.005 10.955 ( 18.119 -14.774 -18.807) 30.005 11.391 ( -12.457 12.486 7.817) 19.292 11.391 ( 12.457 12.486 7.817) 19.292 11.570 ( -9.770 5.316 -4.150) 11.872 11.570 ( 9.770 5.316 -4.150) 11.872 11.767 ( -14.412 -11.535 1.494) 18.521 11.767 ( 14.412 -11.535 1.494) 18.521 11.906 ( -18.157 -14.390 -6.369) 24.028 11.906 ( 18.157 -14.390 -6.369) 24.028 12.370 ( -12.203 5.574 11.755) 17.837 12.370 ( 12.203 5.574 11.755) 17.837 12.477 ( -7.243 -3.129 6.249) 10.065 12.477 ( 7.243 -3.129 6.249) 10.065 12.775 ( -2.362 2.520 -2.084) 4.034 12.775 ( 2.362 2.520 -2.084) 4.034 12.884 ( -4.557 -6.540 -9.405) 12.328 12.884 ( 4.557 -6.540 -9.405) 12.328 13.386 ( -6.649 11.135 8.745) 15.642 13.386 ( 6.649 11.135 8.745) 15.642 13.479 ( -3.304 5.054 4.263) 7.391 13.479 ( 3.304 5.054 4.263) 7.391 13.798 ( -7.935 4.366 -4.460) 10.096 13.798 ( 7.935 4.366 -4.460) 10.096 13.900 ( -11.895 -3.778 -10.040) 16.018 13.900 ( 11.895 -3.778 -10.040) 16.018 14.644 ( -0.214 6.117 7.039) 9.328 14.644 ( 0.214 6.117 7.039) 9.328 14.718 ( -1.349 1.311 6.494) 6.761 14.718 ( 1.349 1.311 6.494) 6.761 14.810 ( -1.675 8.741 -2.607) 9.274 14.810 ( 1.675 8.741 -2.607) 9.274 14.897 ( -5.461 2.464 -4.561) 7.530 14.897 ( 5.461 2.464 -4.561) 7.530 15.082 ( -4.106 -1.361 2.958) 5.240 15.082 ( 4.106 -1.361 2.958) 5.240 15.166 ( -3.104 -7.772 -3.913) 9.239 15.166 ( 3.104 -7.772 -3.913) 9.239 15.398 ( -4.637 -4.445 1.819) 6.675 15.398 ( 4.637 -4.445 1.819) 6.675 15.436 ( -6.713 -6.760 -1.313) 9.617 15.436 ( 6.713 -6.760 -1.313) 9.617 16.943 ( -1.706 18.024 11.909) 21.671 16.943 ( 1.706 18.024 11.909) 21.671 17.245 ( -1.132 8.446 -6.377) 10.643 17.245 ( 1.132 8.446 -6.377) 10.643 17.383 ( -2.623 -8.129 3.448) 9.211 17.383 ( 2.623 -8.129 3.448) 9.211 17.703 ( -2.607 -19.281 -16.366) 25.424 17.703 ( 2.607 -19.281 -16.366) 25.424 18.821 ( -4.411 7.645 5.897) 10.615 18.821 ( 4.411 7.645 5.897) 10.615 18.878 ( -6.662 1.792 1.440) 7.047 18.878 ( 6.662 1.792 1.440) 7.047 19.307 ( -8.455 -4.187 3.235) 9.974 19.307 ( 8.455 -4.187 3.235) 9.974 19.382 ( -1.281 -11.275 -3.118) 11.768 19.382 ( 1.281 -11.275 -3.118) 11.768 20.568 ( -0.892 7.205 2.800) 7.782 20.568 ( 0.892 7.205 2.800) 7.782 20.625 ( -2.604 1.783 -1.862) 3.664 20.625 ( 2.604 1.783 -1.862) 3.664 21.145 ( -0.810 0.789 -1.123) 1.594 21.145 ( 0.810 0.789 -1.123) 1.594 21.176 ( -3.055 -2.495 -3.631) 5.361 21.176 ( 3.055 -2.495 -3.631) 5.361 22.048 ( -5.009 3.357 4.930) 7.789 22.048 ( 5.009 3.357 4.930) 7.789 22.097 ( -1.102 -1.382 0.989) 2.026 22.097 ( 1.102 -1.382 0.989) 2.026 22.522 ( -1.009 1.489 -0.192) 1.809 22.522 ( 1.009 1.489 -0.192) 1.809 22.550 ( -2.879 -1.108 -2.281) 3.836 22.550 ( 2.879 -1.108 -2.281) 3.836 25.549 ( -0.259 0.655 0.535) 0.885 25.549 ( 0.259 0.655 0.535) 0.885 25.554 ( -0.547 0.225 0.145) 0.609 25.554 ( 0.547 0.225 0.145) 0.609 25.668 ( -1.113 0.015 -0.076) 1.116 25.668 ( 1.113 0.015 -0.076) 1.116 25.675 ( -0.702 -0.678 -0.658) 1.177 25.675 ( 0.702 -0.678 -0.658) 1.177 26.849 ( -2.001 1.816 0.341) 2.723 26.849 ( 2.001 1.816 0.341) 2.723 26.855 ( -1.087 1.267 -0.102) 1.673 26.855 ( 1.087 1.267 -0.102) 1.673 26.923 ( -0.562 -1.193 0.127) 1.325 26.923 ( 0.562 -1.193 0.127) 1.325 26.929 ( -1.516 -1.673 -0.300) 2.278 26.929 ( 1.516 -1.673 -0.300) 2.278 28.199 ( -2.532 6.010 1.918) 6.797 28.199 ( 2.532 6.010 1.918) 6.797 28.249 ( -3.844 7.255 -2.086) 8.471 28.249 ( 3.844 7.255 -2.086) 8.471 28.342 ( -2.353 -8.235 2.653) 8.966 28.342 ( 2.353 -8.235 2.653) 8.966 28.415 ( -3.315 -9.251 -3.255) 10.353 28.415 ( 3.315 -9.251 -3.255) 10.353 29.062 ( -3.749 7.307 2.684) 8.640 29.062 ( 3.749 7.307 2.684) 8.640 29.122 ( -3.503 6.197 -2.151) 7.437 29.122 ( 3.503 6.197 -2.151) 7.437 29.197 ( -4.483 -5.830 1.725) 7.554 29.197 ( 4.483 -5.830 1.725) 7.554 29.237 ( -4.411 -5.060 -1.539) 6.887 29.237 ( 4.411 -5.060 -1.539) 6.887 =================== 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 3/28800 10.0 353.076 318.604 24.149 0.000 0.000 -0.000 3/28800 20.0 60.637 74.828 45.294 0.000 0.000 -0.000 3/28800 30.0 28.874 37.839 25.094 0.000 0.000 -0.000 3/28800 40.0 17.803 22.985 15.731 0.000 0.000 -0.000 3/28800 50.0 12.571 15.845 11.134 0.000 0.000 -0.000 3/28800 60.0 9.643 11.877 8.544 0.000 0.000 -0.000 3/28800 70.0 7.814 9.430 6.929 0.000 0.000 -0.000 3/28800 80.0 6.583 7.805 5.844 0.000 0.000 -0.000 3/28800 90.0 5.707 6.661 5.070 0.000 0.000 -0.000 3/28800 100.0 5.057 5.820 4.494 0.000 0.000 -0.000 3/28800 110.0 4.556 5.180 4.048 0.000 0.000 -0.000 3/28800 120.0 4.161 4.676 3.694 0.000 0.000 -0.000 3/28800 130.0 3.840 4.271 3.404 0.000 0.000 -0.000 3/28800 140.0 3.575 3.938 3.162 0.000 0.000 -0.000 3/28800 150.0 3.351 3.660 2.958 0.000 0.000 -0.000 3/28800 160.0 3.160 3.422 2.782 0.000 0.000 -0.000 3/28800 170.0 2.994 3.218 2.629 0.000 0.000 -0.000 3/28800 180.0 2.848 3.039 2.494 0.000 0.000 -0.000 3/28800 190.0 2.718 2.882 2.374 0.000 0.000 -0.000 3/28800 200.0 2.601 2.742 2.266 0.000 0.000 -0.000 3/28800 210.0 2.496 2.616 2.169 0.000 0.000 -0.000 3/28800 220.0 2.400 2.503 2.081 0.000 0.000 -0.000 3/28800 230.0 2.312 2.399 2.000 0.000 0.000 -0.000 3/28800 240.0 2.231 2.305 1.926 0.000 0.000 -0.000 3/28800 250.0 2.157 2.218 1.857 0.000 0.000 -0.000 3/28800 260.0 2.087 2.139 1.793 0.000 0.000 -0.000 3/28800 270.0 2.022 2.065 1.734 0.000 0.000 -0.000 3/28800 280.0 1.961 1.996 1.679 0.000 0.000 -0.000 3/28800 290.0 1.904 1.932 1.628 0.000 0.000 -0.000 3/28800 300.0 1.851 1.872 1.579 0.000 0.000 -0.000 3/28800 310.0 1.800 1.816 1.534 0.000 0.000 -0.000 3/28800 320.0 1.752 1.763 1.491 0.000 0.000 -0.000 3/28800 330.0 1.707 1.713 1.450 0.000 0.000 -0.000 3/28800 340.0 1.664 1.666 1.412 0.000 0.000 -0.000 3/28800 350.0 1.623 1.622 1.375 0.000 0.000 -0.000 3/28800 360.0 1.584 1.580 1.341 0.000 0.000 -0.000 3/28800 370.0 1.547 1.540 1.308 0.000 0.000 -0.000 3/28800 380.0 1.512 1.502 1.277 0.000 0.000 -0.000 3/28800 390.0 1.478 1.466 1.247 0.000 0.000 -0.000 3/28800 400.0 1.445 1.432 1.218 0.000 0.000 -0.000 3/28800 410.0 1.415 1.399 1.191 0.000 0.000 -0.000 3/28800 420.0 1.385 1.368 1.165 0.000 0.000 -0.000 3/28800 430.0 1.356 1.338 1.140 0.000 0.000 -0.000 3/28800 440.0 1.329 1.309 1.116 0.000 0.000 -0.000 3/28800 450.0 1.303 1.282 1.093 0.000 0.000 -0.000 3/28800 460.0 1.277 1.255 1.071 0.000 0.000 -0.000 3/28800 470.0 1.253 1.230 1.050 0.000 0.000 -0.000 3/28800 480.0 1.230 1.206 1.030 0.000 0.000 -0.000 3/28800 490.0 1.207 1.183 1.010 0.000 0.000 -0.000 3/28800 500.0 1.185 1.160 0.991 0.000 0.000 -0.000 3/28800 510.0 1.164 1.139 0.973 0.000 0.000 -0.000 3/28800 520.0 1.144 1.118 0.956 0.000 0.000 -0.000 3/28800 530.0 1.124 1.098 0.939 0.000 0.000 -0.000 3/28800 540.0 1.105 1.078 0.922 0.000 0.000 -0.000 3/28800 550.0 1.087 1.060 0.907 0.000 0.000 -0.000 3/28800 560.0 1.069 1.042 0.891 0.000 0.000 -0.000 3/28800 570.0 1.052 1.024 0.877 0.000 0.000 -0.000 3/28800 580.0 1.035 1.007 0.862 0.000 0.000 -0.000 3/28800 590.0 1.019 0.991 0.848 0.000 0.000 -0.000 3/28800 600.0 1.003 0.975 0.835 0.000 0.000 -0.000 3/28800 610.0 0.988 0.960 0.822 0.000 0.000 -0.000 3/28800 620.0 0.973 0.945 0.809 0.000 0.000 -0.000 3/28800 630.0 0.959 0.930 0.797 0.000 0.000 -0.000 3/28800 640.0 0.945 0.916 0.785 0.000 0.000 -0.000 3/28800 650.0 0.931 0.903 0.774 0.000 0.000 -0.000 3/28800 660.0 0.918 0.890 0.763 0.000 0.000 -0.000 3/28800 670.0 0.905 0.877 0.752 0.000 0.000 -0.000 3/28800 680.0 0.892 0.864 0.741 0.000 0.000 -0.000 3/28800 690.0 0.880 0.852 0.731 0.000 0.000 -0.000 3/28800 700.0 0.868 0.841 0.721 0.000 0.000 -0.000 3/28800 710.0 0.857 0.829 0.711 0.000 0.000 -0.000 3/28800 720.0 0.846 0.818 0.702 0.000 0.000 -0.000 3/28800 730.0 0.835 0.807 0.692 0.000 0.000 -0.000 3/28800 740.0 0.824 0.797 0.683 0.000 0.000 -0.000 3/28800 750.0 0.814 0.786 0.674 0.000 0.000 -0.000 3/28800 760.0 0.804 0.776 0.666 0.000 0.000 -0.000 3/28800 770.0 0.794 0.766 0.658 0.000 0.000 -0.000 3/28800 780.0 0.784 0.757 0.649 0.000 0.000 -0.000 3/28800 790.0 0.775 0.748 0.641 0.000 0.000 -0.000 3/28800 800.0 0.765 0.738 0.634 0.000 0.000 -0.000 3/28800 810.0 0.756 0.730 0.626 0.000 0.000 -0.000 3/28800 820.0 0.747 0.721 0.619 0.000 0.000 -0.000 3/28800 830.0 0.739 0.712 0.612 0.000 0.000 -0.000 3/28800 840.0 0.730 0.704 0.604 0.000 0.000 -0.000 3/28800 850.0 0.722 0.696 0.598 0.000 0.000 -0.000 3/28800 860.0 0.714 0.688 0.591 0.000 0.000 -0.000 3/28800 870.0 0.706 0.680 0.584 0.000 0.000 -0.000 3/28800 880.0 0.699 0.673 0.578 0.000 0.000 -0.000 3/28800 890.0 0.691 0.666 0.571 0.000 0.000 -0.000 3/28800 900.0 0.684 0.658 0.565 0.000 0.000 -0.000 3/28800 910.0 0.676 0.651 0.559 0.000 0.000 -0.000 3/28800 920.0 0.669 0.644 0.553 0.000 0.000 -0.000 3/28800 930.0 0.662 0.637 0.547 0.000 0.000 -0.000 3/28800 940.0 0.656 0.631 0.542 0.000 0.000 -0.000 3/28800 950.0 0.649 0.624 0.536 0.000 0.000 -0.000 3/28800 960.0 0.642 0.618 0.531 0.000 0.000 -0.000 3/28800 970.0 0.636 0.612 0.525 0.000 0.000 -0.000 3/28800 980.0 0.630 0.606 0.520 0.000 0.000 -0.000 3/28800 990.0 0.624 0.600 0.515 0.000 0.000 -0.000 3/28800 1000.0 0.618 0.594 0.510 0.000 0.000 -0.000 3/28800 Thermal conductivity related properties were written into "kappa-m1053.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:44:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|