----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:42:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.308055945000000 -4.477058300000000 0.000000000000000 b 3.308055945000000 4.477058300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.613999230000001 Atomic positions (fractional): *1 Na 0.62681380623317 0.37318619376683 0.75000000000000 22.990 2 Na 0.37318619376683 0.62681380623317 0.25000000000000 22.990 *3 Sb 0.11473051105920 0.88526948894080 0.42022962797838 121.760 4 Sb 0.88526948894080 0.11473051105920 0.57977037202162 121.760 *5 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 6 Sb 0.11473051105920 0.88526948894080 0.07977037202162 121.760 7 Sb 0.88526948894080 0.11473051105920 0.92022962797838 121.760 8 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 *9 Sb 0.73227690225927 0.26772309774073 0.13912733983115 121.760 10 Sb 0.73227690225927 0.26772309774073 0.36087266016885 121.760 11 Sb 0.26772309774073 0.73227690225927 0.63912733983115 121.760 12 Sb 0.26772309774073 0.73227690225927 0.86087266016885 121.760 *13 O 0.96801643688916 0.43324237127837 0.63630558385556 15.999 14 O 0.43324237127837 0.96801643688916 0.13630558385556 15.999 15 O 0.43324237127837 0.96801643688916 0.36369441614444 15.999 16 O 0.96801643688916 0.43324237127837 0.86369441614444 15.999 *17 O 0.18901367169589 0.18901367169589 0.50000000000000 15.999 18 O 0.18901367169589 0.18901367169589 0.00000000000000 15.999 *19 O 0.48656861640995 0.51343138359005 0.88459688789462 15.999 *20 O 0.33105389533342 0.66894610466658 0.75000000000000 15.999 *21 O 0.27367297695551 0.72632702304449 0.51053514384236 15.999 22 O 0.27367297695551 0.72632702304449 0.98946485615764 15.999 *23 O 0.05242803425517 0.94757196574483 0.84508877102989 15.999 24 O 0.94757196574483 0.05242803425517 0.34508877102989 15.999 25 O 0.72632702304449 0.27367297695551 0.01053514384236 15.999 26 O 0.51343138359005 0.48656861640995 0.11540311210538 15.999 27 O 0.94757196574483 0.05242803425517 0.15491122897011 15.999 28 O 0.51343138359005 0.48656861640995 0.38459688789462 15.999 29 O 0.66894610466658 0.33105389533342 0.25000000000000 15.999 30 O 0.72632702304449 0.27367297695551 0.48946485615764 15.999 31 O 0.48656861640995 0.51343138359005 0.61540311210538 15.999 32 O 0.05242803425517 0.94757196574483 0.65491122897011 15.999 33 O 0.81098632830411 0.81098632830411 0.00000000000000 15.999 34 O 0.81098632830411 0.81098632830411 0.50000000000000 15.999 35 O 0.03198356311084 0.56675762872163 0.13630558385556 15.999 36 O 0.56675762872163 0.03198356311084 0.86369441614444 15.999 37 O 0.56675762872163 0.03198356311084 0.63630558385556 15.999 38 O 0.03198356311084 0.56675762872163 0.36369441614444 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.616111890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.954116600000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.613999230000001 Atomic positions (fractional): *1 Na 0.50000000000000 0.87318619376683 0.75000000000000 22.990 > 1 2 Na 0.50000000000000 0.12681380623317 0.25000000000000 22.990 > 2 3 Na 0.00000000000000 0.37318619376683 0.75000000000000 22.990 > 1 4 Na 0.00000000000000 0.62681380623317 0.25000000000000 22.990 > 2 *5 Sb 0.50000000000000 0.38526948894080 0.42022962797838 121.760 > 3 6 Sb 0.50000000000000 0.61473051105920 0.57977037202162 121.760 > 4 *7 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 5 8 Sb 0.50000000000000 0.38526948894080 0.07977037202162 121.760 > 6 9 Sb 0.50000000000000 0.61473051105920 0.92022962797838 121.760 > 7 10 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 8 *11 Sb 0.50000000000000 0.76772309774073 0.13912733983115 121.760 > 9 12 Sb 0.50000000000000 0.76772309774073 0.36087266016885 121.760 > 10 13 Sb 0.50000000000000 0.23227690225927 0.63912733983115 121.760 > 11 14 Sb 0.50000000000000 0.23227690225927 0.86087266016885 121.760 > 12 15 Sb 0.00000000000000 0.88526948894080 0.42022962797838 121.760 > 3 16 Sb 0.00000000000000 0.11473051105920 0.57977037202162 121.760 > 4 17 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 5 18 Sb 0.00000000000000 0.88526948894080 0.07977037202162 121.760 > 6 19 Sb 0.00000000000000 0.11473051105920 0.92022962797838 121.760 > 7 20 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 8 21 Sb 0.00000000000000 0.26772309774073 0.13912733983115 121.760 > 9 22 Sb 0.00000000000000 0.26772309774073 0.36087266016885 121.760 > 10 23 Sb 0.00000000000000 0.73227690225927 0.63912733983115 121.760 > 11 24 Sb 0.00000000000000 0.73227690225927 0.86087266016885 121.760 > 12 *25 O 0.70062940408377 0.73261296719461 0.63630558385556 15.999 > 13 26 O 0.70062940408377 0.26738703280539 0.13630558385556 15.999 > 14 27 O 0.70062940408377 0.26738703280539 0.36369441614444 15.999 > 15 28 O 0.70062940408377 0.73261296719461 0.86369441614444 15.999 > 16 *29 O 0.18901367169589 0.00000000000000 0.50000000000000 15.999 > 17 30 O 0.18901367169589 0.00000000000000 0.00000000000000 15.999 > 18 *31 O 0.50000000000000 0.01343138359005 0.88459688789462 15.999 > 19 *32 O 0.50000000000000 0.16894610466658 0.75000000000000 15.999 > 20 *33 O 0.50000000000000 0.22632702304449 0.51053514384236 15.999 > 21 34 O 0.50000000000000 0.22632702304449 0.98946485615764 15.999 > 22 *35 O 0.50000000000000 0.44757196574483 0.84508877102989 15.999 > 23 36 O 0.50000000000000 0.55242803425517 0.34508877102989 15.999 > 24 37 O 0.50000000000000 0.77367297695551 0.01053514384236 15.999 > 25 38 O 0.50000000000000 0.98656861640995 0.11540311210538 15.999 > 26 39 O 0.50000000000000 0.55242803425517 0.15491122897011 15.999 > 27 40 O 0.50000000000000 0.98656861640995 0.38459688789462 15.999 > 28 41 O 0.50000000000000 0.83105389533342 0.25000000000000 15.999 > 29 42 O 0.50000000000000 0.77367297695551 0.48946485615764 15.999 > 30 43 O 0.50000000000000 0.01343138359005 0.61540311210538 15.999 > 31 44 O 0.50000000000000 0.44757196574483 0.65491122897011 15.999 > 32 45 O 0.81098632830411 0.00000000000000 0.00000000000000 15.999 > 33 46 O 0.81098632830411 0.00000000000000 0.50000000000000 15.999 > 34 47 O 0.29937059591623 0.26738703280539 0.13630558385556 15.999 > 35 48 O 0.29937059591623 0.73261296719461 0.86369441614444 15.999 > 36 49 O 0.29937059591623 0.73261296719461 0.63630558385556 15.999 > 37 50 O 0.29937059591623 0.26738703280539 0.36369441614444 15.999 > 38 51 O 0.20062940408377 0.23261296719461 0.63630558385556 15.999 > 13 52 O 0.20062940408377 0.76738703280539 0.13630558385556 15.999 > 14 53 O 0.20062940408377 0.76738703280539 0.36369441614444 15.999 > 15 54 O 0.20062940408377 0.23261296719461 0.86369441614444 15.999 > 16 55 O 0.68901367169589 0.50000000000000 0.50000000000000 15.999 > 17 56 O 0.68901367169589 0.50000000000000 0.00000000000000 15.999 > 18 57 O 0.00000000000000 0.51343138359005 0.88459688789462 15.999 > 19 58 O 0.00000000000000 0.66894610466658 0.75000000000000 15.999 > 20 59 O 0.00000000000000 0.72632702304449 0.51053514384236 15.999 > 21 60 O 0.00000000000000 0.72632702304449 0.98946485615764 15.999 > 22 61 O 0.00000000000000 0.94757196574483 0.84508877102989 15.999 > 23 62 O 0.00000000000000 0.05242803425517 0.34508877102989 15.999 > 24 63 O 0.00000000000000 0.27367297695551 0.01053514384236 15.999 > 25 64 O 0.00000000000000 0.48656861640995 0.11540311210538 15.999 > 26 65 O 0.00000000000000 0.05242803425517 0.15491122897011 15.999 > 27 66 O 0.00000000000000 0.48656861640995 0.38459688789462 15.999 > 28 67 O 0.00000000000000 0.33105389533342 0.25000000000000 15.999 > 29 68 O 0.00000000000000 0.27367297695551 0.48946485615764 15.999 > 30 69 O 0.00000000000000 0.51343138359005 0.61540311210538 15.999 > 31 70 O 0.00000000000000 0.94757196574483 0.65491122897011 15.999 > 32 71 O 0.31098632830411 0.50000000000000 0.00000000000000 15.999 > 33 72 O 0.31098632830411 0.50000000000000 0.50000000000000 15.999 > 34 73 O 0.79937059591623 0.76738703280539 0.13630558385556 15.999 > 35 74 O 0.79937059591623 0.23261296719461 0.86369441614444 15.999 > 36 75 O 0.79937059591623 0.23261296719461 0.63630558385556 15.999 > 37 76 O 0.79937059591623 0.76738703280539 0.36369441614444 15.999 > 38 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.616111890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.954116600000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.613999230000001 Atomic positions (fractional): *1 Na 0.50000000000000 0.87318619376683 0.75000000000000 22.990 > 1 2 Na 0.50000000000000 0.12681380623317 0.25000000000000 22.990 > 2 3 Na 0.00000000000000 0.37318619376683 0.75000000000000 22.990 > 1 4 Na 0.00000000000000 0.62681380623317 0.25000000000000 22.990 > 2 *5 Sb 0.50000000000000 0.38526948894080 0.42022962797838 121.760 > 3 6 Sb 0.50000000000000 0.61473051105920 0.57977037202162 121.760 > 4 *7 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 5 8 Sb 0.50000000000000 0.38526948894080 0.07977037202162 121.760 > 6 9 Sb 0.50000000000000 0.61473051105920 0.92022962797838 121.760 > 7 10 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 8 *11 Sb 0.50000000000000 0.76772309774073 0.13912733983115 121.760 > 9 12 Sb 0.50000000000000 0.76772309774073 0.36087266016885 121.760 > 10 13 Sb 0.50000000000000 0.23227690225927 0.63912733983115 121.760 > 11 14 Sb 0.50000000000000 0.23227690225927 0.86087266016885 121.760 > 12 15 Sb 0.00000000000000 0.88526948894080 0.42022962797838 121.760 > 3 16 Sb 0.00000000000000 0.11473051105920 0.57977037202162 121.760 > 4 17 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 5 18 Sb 0.00000000000000 0.88526948894080 0.07977037202162 121.760 > 6 19 Sb 0.00000000000000 0.11473051105920 0.92022962797838 121.760 > 7 20 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 8 21 Sb 0.00000000000000 0.26772309774073 0.13912733983115 121.760 > 9 22 Sb 0.00000000000000 0.26772309774073 0.36087266016885 121.760 > 10 23 Sb 0.00000000000000 0.73227690225927 0.63912733983115 121.760 > 11 24 Sb 0.00000000000000 0.73227690225927 0.86087266016885 121.760 > 12 *25 O 0.70062940408377 0.73261296719461 0.63630558385556 15.999 > 13 26 O 0.70062940408377 0.26738703280539 0.13630558385556 15.999 > 14 27 O 0.70062940408377 0.26738703280539 0.36369441614444 15.999 > 15 28 O 0.70062940408377 0.73261296719461 0.86369441614444 15.999 > 16 *29 O 0.18901367169589 0.00000000000000 0.50000000000000 15.999 > 17 30 O 0.18901367169589 0.00000000000000 0.00000000000000 15.999 > 18 *31 O 0.50000000000000 0.01343138359005 0.88459688789462 15.999 > 19 *32 O 0.50000000000000 0.16894610466658 0.75000000000000 15.999 > 20 *33 O 0.50000000000000 0.22632702304449 0.51053514384236 15.999 > 21 34 O 0.50000000000000 0.22632702304449 0.98946485615764 15.999 > 22 *35 O 0.50000000000000 0.44757196574483 0.84508877102989 15.999 > 23 36 O 0.50000000000000 0.55242803425517 0.34508877102989 15.999 > 24 37 O 0.50000000000000 0.77367297695551 0.01053514384236 15.999 > 25 38 O 0.50000000000000 0.98656861640995 0.11540311210538 15.999 > 26 39 O 0.50000000000000 0.55242803425517 0.15491122897011 15.999 > 27 40 O 0.50000000000000 0.98656861640995 0.38459688789462 15.999 > 28 41 O 0.50000000000000 0.83105389533342 0.25000000000000 15.999 > 29 42 O 0.50000000000000 0.77367297695551 0.48946485615764 15.999 > 30 43 O 0.50000000000000 0.01343138359005 0.61540311210538 15.999 > 31 44 O 0.50000000000000 0.44757196574483 0.65491122897011 15.999 > 32 45 O 0.81098632830411 0.00000000000000 0.00000000000000 15.999 > 33 46 O 0.81098632830411 0.00000000000000 0.50000000000000 15.999 > 34 47 O 0.29937059591623 0.26738703280539 0.13630558385556 15.999 > 35 48 O 0.29937059591623 0.73261296719461 0.86369441614444 15.999 > 36 49 O 0.29937059591623 0.73261296719461 0.63630558385556 15.999 > 37 50 O 0.29937059591623 0.26738703280539 0.36369441614444 15.999 > 38 51 O 0.20062940408377 0.23261296719461 0.63630558385556 15.999 > 13 52 O 0.20062940408377 0.76738703280539 0.13630558385556 15.999 > 14 53 O 0.20062940408377 0.76738703280539 0.36369441614444 15.999 > 15 54 O 0.20062940408377 0.23261296719461 0.86369441614444 15.999 > 16 55 O 0.68901367169589 0.50000000000000 0.50000000000000 15.999 > 17 56 O 0.68901367169589 0.50000000000000 0.00000000000000 15.999 > 18 57 O 0.00000000000000 0.51343138359005 0.88459688789462 15.999 > 19 58 O 0.00000000000000 0.66894610466658 0.75000000000000 15.999 > 20 59 O 0.00000000000000 0.72632702304449 0.51053514384236 15.999 > 21 60 O 0.00000000000000 0.72632702304449 0.98946485615764 15.999 > 22 61 O 0.00000000000000 0.94757196574483 0.84508877102989 15.999 > 23 62 O 0.00000000000000 0.05242803425517 0.34508877102989 15.999 > 24 63 O 0.00000000000000 0.27367297695551 0.01053514384236 15.999 > 25 64 O 0.00000000000000 0.48656861640995 0.11540311210538 15.999 > 26 65 O 0.00000000000000 0.05242803425517 0.15491122897011 15.999 > 27 66 O 0.00000000000000 0.48656861640995 0.38459688789462 15.999 > 28 67 O 0.00000000000000 0.33105389533342 0.25000000000000 15.999 > 29 68 O 0.00000000000000 0.27367297695551 0.48946485615764 15.999 > 30 69 O 0.00000000000000 0.51343138359005 0.61540311210538 15.999 > 31 70 O 0.00000000000000 0.94757196574483 0.65491122897011 15.999 > 32 71 O 0.31098632830411 0.50000000000000 0.00000000000000 15.999 > 33 72 O 0.31098632830411 0.50000000000000 0.50000000000000 15.999 > 34 73 O 0.79937059591623 0.76738703280539 0.13630558385556 15.999 > 35 74 O 0.79937059591623 0.23261296719461 0.86369441614444 15.999 > 36 75 O 0.79937059591623 0.23261296719461 0.63630558385556 15.999 > 37 76 O 0.79937059591623 0.76738703280539 0.36369441614444 15.999 > 38 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3520916 0.0000000 0.0000000 0.0000000 4.3209876 0.0000000 0.0000000 0.0000000 3.9129728 -------------------------- Born effective charges -------------------------- 1 Na 1.0469190 0.0000000 0.0000000 0.0000000 1.2741604 -0.0000000 0.0000000 0.0000000 1.6961775 2 Na 1.0469190 0.0000000 0.0000000 0.0000000 1.2741604 -0.0000000 0.0000000 0.0000000 1.6961775 3 Sb 4.9500843 0.0000000 0.0000000 0.0000000 5.3917139 -0.7883934 0.0000000 0.2205307 3.7573492 4 Sb 4.9500843 0.0000000 0.0000000 0.0000000 5.3917139 -0.7883934 0.0000000 0.2205307 3.7573492 5 Sb 5.5766091 0.0000000 0.0000000 0.0000000 5.0628179 1.0189623 0.0000000 -0.0184588 2.8903732 6 Sb 4.9500843 0.0000000 0.0000000 0.0000000 5.3917139 0.7883934 0.0000000 -0.2205307 3.7573492 7 Sb 4.9500843 0.0000000 0.0000000 0.0000000 5.3917139 0.7883934 0.0000000 -0.2205307 3.7573492 8 Sb 5.5766091 0.0000000 0.0000000 0.0000000 5.0628179 -1.0189623 0.0000000 0.0184588 2.8903732 9 Sb 5.0749256 0.0000000 0.0000000 0.0000000 4.1538656 -0.4147471 0.0000000 0.2191196 5.4339571 10 Sb 5.0749256 0.0000000 0.0000000 0.0000000 4.1538656 0.4147471 0.0000000 -0.2191196 5.4339571 11 Sb 5.0749256 0.0000000 0.0000000 0.0000000 4.1538656 0.4147471 0.0000000 -0.2191196 5.4339571 12 Sb 5.0749256 0.0000000 0.0000000 0.0000000 4.1538656 -0.4147471 0.0000000 0.2191196 5.4339571 13 O -2.9150445 -0.4522753 -0.4117283 -0.3925550 -1.4188344 -0.1659087 -0.3962709 -0.2395706 -1.3470442 14 O -2.9150445 0.4522753 -0.4117283 0.3925550 -1.4188344 0.1659087 -0.3962709 0.2395706 -1.3470442 15 O -2.9150445 0.4522753 0.4117283 0.3925550 -1.4188344 -0.1659087 0.3962709 -0.2395706 -1.3470442 16 O -2.9150445 -0.4522753 0.4117283 -0.3925550 -1.4188344 0.1659087 0.3962709 0.2395706 -1.3470442 17 O -3.0241248 0.0000000 0.0000000 0.0000000 -1.7796973 -0.4900270 0.0000000 -0.4976550 -1.5207527 18 O -3.0241248 0.0000000 0.0000000 0.0000000 -1.7796973 0.4900270 0.0000000 0.4976550 -1.5207527 19 O -1.3641353 0.0000000 0.0000000 0.0000000 -1.8456041 0.2957923 0.0000000 0.4256821 -1.7377147 20 O -1.1575052 0.0000000 0.0000000 0.0000000 -1.2450613 -0.0000000 0.0000000 0.0000000 -4.3104932 21 O -1.2984653 0.0000000 0.0000000 0.0000000 -2.6369301 0.4366927 0.0000000 0.2692151 -2.0389487 22 O -1.2984653 0.0000000 0.0000000 0.0000000 -2.6369301 -0.4366927 0.0000000 -0.2692151 -2.0389487 23 O -1.2412070 0.0000000 0.0000000 0.0000000 -2.9916378 -0.5613377 0.0000000 -0.6411077 -1.3378306 24 O -1.2412070 0.0000000 0.0000000 0.0000000 -2.9916378 0.5613377 0.0000000 0.6411077 -1.3378306 25 O -1.2984653 0.0000000 0.0000000 0.0000000 -2.6369301 -0.4366927 0.0000000 -0.2692151 -2.0389487 26 O -1.3641353 0.0000000 0.0000000 0.0000000 -1.8456041 0.2957923 0.0000000 0.4256821 -1.7377147 27 O -1.2412070 0.0000000 0.0000000 0.0000000 -2.9916378 -0.5613377 0.0000000 -0.6411077 -1.3378306 28 O -1.3641353 0.0000000 0.0000000 0.0000000 -1.8456041 -0.2957923 0.0000000 -0.4256821 -1.7377147 29 O -1.1575052 0.0000000 0.0000000 0.0000000 -1.2450613 -0.0000000 0.0000000 0.0000000 -4.3104932 30 O -1.2984653 0.0000000 0.0000000 0.0000000 -2.6369301 0.4366927 0.0000000 0.2692151 -2.0389487 31 O -1.3641353 0.0000000 0.0000000 0.0000000 -1.8456041 -0.2957923 0.0000000 -0.4256821 -1.7377147 32 O -1.2412070 0.0000000 0.0000000 0.0000000 -2.9916378 0.5613377 0.0000000 0.6411077 -1.3378306 33 O -3.0241248 0.0000000 0.0000000 0.0000000 -1.7796973 0.4900270 0.0000000 0.4976550 -1.5207527 34 O -3.0241248 0.0000000 0.0000000 0.0000000 -1.7796973 -0.4900270 0.0000000 -0.4976550 -1.5207527 35 O -2.9150445 -0.4522753 0.4117283 -0.3925550 -1.4188344 0.1659087 0.3962709 0.2395706 -1.3470442 36 O -2.9150445 0.4522753 -0.4117283 0.3925550 -1.4188344 0.1659087 -0.3962709 0.2395706 -1.3470442 37 O -2.9150445 0.4522753 0.4117283 0.3925550 -1.4188344 -0.1659087 0.3962709 -0.2395706 -1.3470442 38 O -2.9150445 -0.4522753 -0.4117283 -0.3925550 -1.4188344 -0.1659087 -0.3962709 -0.2395706 -1.3470442 ---------------------------------------------------------------------------- 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: 228/228 Permutation basis: 16449/16449 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1836 Number of blocks in projector: 1836 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: 532 Use submatrix version of eigh solver. (1) Block: 532 / 532 (2) Block: 250 / 532 (2) 234 eigenvectors found. (2) Block: 532 / 532 (2) 266 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1836, 1786), data: False |-- (184, 182), data: True |-- (184, 182), data: True |-- (312, 302), data: True |-- (312, 302), data: True |-- (312, 302), data: True |-- (532, 516), data: False |-- (532, 516), data: False |-- (532, 16), data: (532, 32) @ (32, 16) |-- (282, 266), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 76 / 76 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 640 - Time: 1.943 Solver_block: 200 / 640 - Time: 1.945 Solver_block: 300 / 640 - Time: 1.942 Solver_block: 400 / 640 - Time: 1.941 Solver_block: 500 / 640 - Time: 1.940 Solver_block: 600 / 640 - Time: 1.942 Solver_block: 640 / 640 - Time: 0.851 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.545 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 228/228 Permutation basis: 16449/16449 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1836 Number of blocks in projector: 1836 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: 532 Use submatrix version of eigh solver. (1) Block: 532 / 532 (2) Block: 250 / 532 (2) 234 eigenvectors found. (2) Block: 532 / 532 (2) 266 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1836, 1786), data: False |-- (184, 182), data: True |-- (184, 182), data: True |-- (312, 302), data: True |-- (312, 302), data: True |-- (312, 302), data: True |-- (532, 516), data: False |-- (532, 516), data: False |-- (532, 16), data: (532, 32) @ (32, 16) |-- (282, 266), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:42:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:42:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.308055945000000 -4.477058300000000 0.000000000000000 b 3.308055945000000 4.477058300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.613999230000001 Atomic positions (fractional): 1 Na 0.62681380623317 0.37318619376683 0.75000000000000 22.990 2 Na 0.37318619376683 0.62681380623317 0.25000000000000 22.990 3 Sb 0.11473051105920 0.88526948894080 0.42022962797838 121.760 4 Sb 0.88526948894080 0.11473051105920 0.57977037202162 121.760 5 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 6 Sb 0.11473051105920 0.88526948894080 0.07977037202162 121.760 7 Sb 0.88526948894080 0.11473051105920 0.92022962797838 121.760 8 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 9 Sb 0.73227690225927 0.26772309774073 0.13912733983115 121.760 10 Sb 0.73227690225927 0.26772309774073 0.36087266016885 121.760 11 Sb 0.26772309774073 0.73227690225927 0.63912733983115 121.760 12 Sb 0.26772309774073 0.73227690225927 0.86087266016885 121.760 13 O 0.96801643688916 0.43324237127837 0.63630558385556 15.999 14 O 0.43324237127837 0.96801643688916 0.13630558385556 15.999 15 O 0.43324237127837 0.96801643688916 0.36369441614444 15.999 16 O 0.96801643688916 0.43324237127837 0.86369441614444 15.999 17 O 0.18901367169589 0.18901367169589 0.50000000000000 15.999 18 O 0.18901367169589 0.18901367169589 0.00000000000000 15.999 19 O 0.48656861640995 0.51343138359005 0.88459688789462 15.999 20 O 0.33105389533342 0.66894610466658 0.75000000000000 15.999 21 O 0.27367297695551 0.72632702304449 0.51053514384236 15.999 22 O 0.27367297695551 0.72632702304449 0.98946485615764 15.999 23 O 0.05242803425517 0.94757196574483 0.84508877102989 15.999 24 O 0.94757196574483 0.05242803425517 0.34508877102989 15.999 25 O 0.72632702304449 0.27367297695551 0.01053514384236 15.999 26 O 0.51343138359005 0.48656861640995 0.11540311210538 15.999 27 O 0.94757196574483 0.05242803425517 0.15491122897011 15.999 28 O 0.51343138359005 0.48656861640995 0.38459688789462 15.999 29 O 0.66894610466658 0.33105389533342 0.25000000000000 15.999 30 O 0.72632702304449 0.27367297695551 0.48946485615764 15.999 31 O 0.48656861640995 0.51343138359005 0.61540311210538 15.999 32 O 0.05242803425517 0.94757196574483 0.65491122897011 15.999 33 O 0.81098632830411 0.81098632830411 0.00000000000000 15.999 34 O 0.81098632830411 0.81098632830411 0.50000000000000 15.999 35 O 0.03198356311084 0.56675762872163 0.13630558385556 15.999 36 O 0.56675762872163 0.03198356311084 0.86369441614444 15.999 37 O 0.56675762872163 0.03198356311084 0.63630558385556 15.999 38 O 0.03198356311084 0.56675762872163 0.36369441614444 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.616111890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.954116600000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.613999230000001 Atomic positions (fractional): 1 Na 0.50000000000000 0.87318619376683 0.75000000000000 22.990 > 1 2 Na 0.50000000000000 0.12681380623317 0.25000000000000 22.990 > 2 3 Na 0.00000000000000 0.37318619376683 0.75000000000000 22.990 > 1 4 Na 0.00000000000000 0.62681380623317 0.25000000000000 22.990 > 2 5 Sb 0.50000000000000 0.38526948894080 0.42022962797838 121.760 > 5 6 Sb 0.50000000000000 0.61473051105920 0.57977037202162 121.760 > 6 7 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 7 8 Sb 0.50000000000000 0.38526948894080 0.07977037202162 121.760 > 8 9 Sb 0.50000000000000 0.61473051105920 0.92022962797838 121.760 > 9 10 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 10 11 Sb 0.50000000000000 0.76772309774073 0.13912733983115 121.760 > 11 12 Sb 0.50000000000000 0.76772309774073 0.36087266016885 121.760 > 12 13 Sb 0.50000000000000 0.23227690225927 0.63912733983115 121.760 > 13 14 Sb 0.50000000000000 0.23227690225927 0.86087266016885 121.760 > 14 15 Sb 0.00000000000000 0.88526948894080 0.42022962797838 121.760 > 5 16 Sb 0.00000000000000 0.11473051105920 0.57977037202162 121.760 > 6 17 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 7 18 Sb 0.00000000000000 0.88526948894080 0.07977037202162 121.760 > 8 19 Sb 0.00000000000000 0.11473051105920 0.92022962797838 121.760 > 9 20 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 10 21 Sb 0.00000000000000 0.26772309774073 0.13912733983115 121.760 > 11 22 Sb 0.00000000000000 0.26772309774073 0.36087266016885 121.760 > 12 23 Sb 0.00000000000000 0.73227690225927 0.63912733983115 121.760 > 13 24 Sb 0.00000000000000 0.73227690225927 0.86087266016885 121.760 > 14 25 O 0.70062940408377 0.73261296719461 0.63630558385556 15.999 > 25 26 O 0.70062940408377 0.26738703280539 0.13630558385556 15.999 > 26 27 O 0.70062940408377 0.26738703280539 0.36369441614444 15.999 > 27 28 O 0.70062940408377 0.73261296719461 0.86369441614444 15.999 > 28 29 O 0.18901367169589 0.00000000000000 0.50000000000000 15.999 > 29 30 O 0.18901367169589 0.00000000000000 0.00000000000000 15.999 > 30 31 O 0.50000000000000 0.01343138359005 0.88459688789462 15.999 > 31 32 O 0.50000000000000 0.16894610466658 0.75000000000000 15.999 > 32 33 O 0.50000000000000 0.22632702304449 0.51053514384236 15.999 > 33 34 O 0.50000000000000 0.22632702304449 0.98946485615764 15.999 > 34 35 O 0.50000000000000 0.44757196574483 0.84508877102989 15.999 > 35 36 O 0.50000000000000 0.55242803425517 0.34508877102989 15.999 > 36 37 O 0.50000000000000 0.77367297695551 0.01053514384236 15.999 > 37 38 O 0.50000000000000 0.98656861640995 0.11540311210538 15.999 > 38 39 O 0.50000000000000 0.55242803425517 0.15491122897011 15.999 > 39 40 O 0.50000000000000 0.98656861640995 0.38459688789462 15.999 > 40 41 O 0.50000000000000 0.83105389533342 0.25000000000000 15.999 > 41 42 O 0.50000000000000 0.77367297695551 0.48946485615764 15.999 > 42 43 O 0.50000000000000 0.01343138359005 0.61540311210538 15.999 > 43 44 O 0.50000000000000 0.44757196574483 0.65491122897011 15.999 > 44 45 O 0.81098632830411 0.00000000000000 0.00000000000000 15.999 > 45 46 O 0.81098632830411 0.00000000000000 0.50000000000000 15.999 > 46 47 O 0.29937059591623 0.26738703280539 0.13630558385556 15.999 > 47 48 O 0.29937059591623 0.73261296719461 0.86369441614444 15.999 > 48 49 O 0.29937059591623 0.73261296719461 0.63630558385556 15.999 > 49 50 O 0.29937059591623 0.26738703280539 0.36369441614444 15.999 > 50 51 O 0.20062940408377 0.23261296719461 0.63630558385556 15.999 > 25 52 O 0.20062940408377 0.76738703280539 0.13630558385556 15.999 > 26 53 O 0.20062940408377 0.76738703280539 0.36369441614444 15.999 > 27 54 O 0.20062940408377 0.23261296719461 0.86369441614444 15.999 > 28 55 O 0.68901367169589 0.50000000000000 0.50000000000000 15.999 > 29 56 O 0.68901367169589 0.50000000000000 0.00000000000000 15.999 > 30 57 O 0.00000000000000 0.51343138359005 0.88459688789462 15.999 > 31 58 O 0.00000000000000 0.66894610466658 0.75000000000000 15.999 > 32 59 O 0.00000000000000 0.72632702304449 0.51053514384236 15.999 > 33 60 O 0.00000000000000 0.72632702304449 0.98946485615764 15.999 > 34 61 O 0.00000000000000 0.94757196574483 0.84508877102989 15.999 > 35 62 O 0.00000000000000 0.05242803425517 0.34508877102989 15.999 > 36 63 O 0.00000000000000 0.27367297695551 0.01053514384236 15.999 > 37 64 O 0.00000000000000 0.48656861640995 0.11540311210538 15.999 > 38 65 O 0.00000000000000 0.05242803425517 0.15491122897011 15.999 > 39 66 O 0.00000000000000 0.48656861640995 0.38459688789462 15.999 > 40 67 O 0.00000000000000 0.33105389533342 0.25000000000000 15.999 > 41 68 O 0.00000000000000 0.27367297695551 0.48946485615764 15.999 > 42 69 O 0.00000000000000 0.51343138359005 0.61540311210538 15.999 > 43 70 O 0.00000000000000 0.94757196574483 0.65491122897011 15.999 > 44 71 O 0.31098632830411 0.50000000000000 0.00000000000000 15.999 > 45 72 O 0.31098632830411 0.50000000000000 0.50000000000000 15.999 > 46 73 O 0.79937059591623 0.76738703280539 0.13630558385556 15.999 > 47 74 O 0.79937059591623 0.23261296719461 0.86369441614444 15.999 > 48 75 O 0.79937059591623 0.23261296719461 0.63630558385556 15.999 > 49 76 O 0.79937059591623 0.76738703280539 0.36369441614444 15.999 > 50 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3520916 0.0000000 0.0000000 0.0000000 4.3209876 0.0000000 0.0000000 0.0000000 3.9129728 -------------------------- Born effective charges -------------------------- 1 Na 1.0469190 0.0000000 0.0000000 0.0000000 1.2741604 -0.0000000 0.0000000 0.0000000 1.6961775 2 Na 1.0469190 0.0000000 0.0000000 0.0000000 1.2741604 -0.0000000 0.0000000 0.0000000 1.6961775 3 Sb 4.9500843 0.0000000 0.0000000 0.0000000 5.3917139 -0.7883934 0.0000000 0.2205307 3.7573492 4 Sb 4.9500843 0.0000000 0.0000000 0.0000000 5.3917139 -0.7883934 0.0000000 0.2205307 3.7573492 5 Sb 5.5766091 0.0000000 0.0000000 0.0000000 5.0628179 1.0189623 0.0000000 -0.0184588 2.8903732 6 Sb 4.9500843 0.0000000 0.0000000 0.0000000 5.3917139 0.7883934 0.0000000 -0.2205307 3.7573492 7 Sb 4.9500843 0.0000000 0.0000000 0.0000000 5.3917139 0.7883934 0.0000000 -0.2205307 3.7573492 8 Sb 5.5766091 0.0000000 0.0000000 0.0000000 5.0628179 -1.0189623 0.0000000 0.0184588 2.8903732 9 Sb 5.0749256 0.0000000 0.0000000 0.0000000 4.1538656 -0.4147471 0.0000000 0.2191196 5.4339571 10 Sb 5.0749256 0.0000000 0.0000000 0.0000000 4.1538656 0.4147471 0.0000000 -0.2191196 5.4339571 11 Sb 5.0749256 0.0000000 0.0000000 0.0000000 4.1538656 0.4147471 0.0000000 -0.2191196 5.4339571 12 Sb 5.0749256 0.0000000 0.0000000 0.0000000 4.1538656 -0.4147471 0.0000000 0.2191196 5.4339571 13 O -2.9150445 -0.4522753 -0.4117283 -0.3925550 -1.4188344 -0.1659087 -0.3962709 -0.2395706 -1.3470442 14 O -2.9150445 0.4522753 -0.4117283 0.3925550 -1.4188344 0.1659087 -0.3962709 0.2395706 -1.3470442 15 O -2.9150445 0.4522753 0.4117283 0.3925550 -1.4188344 -0.1659087 0.3962709 -0.2395706 -1.3470442 16 O -2.9150445 -0.4522753 0.4117283 -0.3925550 -1.4188344 0.1659087 0.3962709 0.2395706 -1.3470442 17 O -3.0241248 0.0000000 0.0000000 0.0000000 -1.7796973 -0.4900270 0.0000000 -0.4976550 -1.5207527 18 O -3.0241248 0.0000000 0.0000000 0.0000000 -1.7796973 0.4900270 0.0000000 0.4976550 -1.5207527 19 O -1.3641353 0.0000000 0.0000000 0.0000000 -1.8456041 0.2957923 0.0000000 0.4256821 -1.7377147 20 O -1.1575052 0.0000000 0.0000000 0.0000000 -1.2450613 -0.0000000 0.0000000 0.0000000 -4.3104932 21 O -1.2984653 0.0000000 0.0000000 0.0000000 -2.6369301 0.4366927 0.0000000 0.2692151 -2.0389487 22 O -1.2984653 0.0000000 0.0000000 0.0000000 -2.6369301 -0.4366927 0.0000000 -0.2692151 -2.0389487 23 O -1.2412070 0.0000000 0.0000000 0.0000000 -2.9916378 -0.5613377 0.0000000 -0.6411077 -1.3378306 24 O -1.2412070 0.0000000 0.0000000 0.0000000 -2.9916378 0.5613377 0.0000000 0.6411077 -1.3378306 25 O -1.2984653 0.0000000 0.0000000 0.0000000 -2.6369301 -0.4366927 0.0000000 -0.2692151 -2.0389487 26 O -1.3641353 0.0000000 0.0000000 0.0000000 -1.8456041 0.2957923 0.0000000 0.4256821 -1.7377147 27 O -1.2412070 0.0000000 0.0000000 0.0000000 -2.9916378 -0.5613377 0.0000000 -0.6411077 -1.3378306 28 O -1.3641353 0.0000000 0.0000000 0.0000000 -1.8456041 -0.2957923 0.0000000 -0.4256821 -1.7377147 29 O -1.1575052 0.0000000 0.0000000 0.0000000 -1.2450613 -0.0000000 0.0000000 0.0000000 -4.3104932 30 O -1.2984653 0.0000000 0.0000000 0.0000000 -2.6369301 0.4366927 0.0000000 0.2692151 -2.0389487 31 O -1.3641353 0.0000000 0.0000000 0.0000000 -1.8456041 -0.2957923 0.0000000 -0.4256821 -1.7377147 32 O -1.2412070 0.0000000 0.0000000 0.0000000 -2.9916378 0.5613377 0.0000000 0.6411077 -1.3378306 33 O -3.0241248 0.0000000 0.0000000 0.0000000 -1.7796973 0.4900270 0.0000000 0.4976550 -1.5207527 34 O -3.0241248 0.0000000 0.0000000 0.0000000 -1.7796973 -0.4900270 0.0000000 -0.4976550 -1.5207527 35 O -2.9150445 -0.4522753 0.4117283 -0.3925550 -1.4188344 0.1659087 0.3962709 0.2395706 -1.3470442 36 O -2.9150445 0.4522753 -0.4117283 0.3925550 -1.4188344 0.1659087 -0.3962709 0.2395706 -1.3470442 37 O -2.9150445 0.4522753 0.4117283 0.3925550 -1.4188344 -0.1659087 0.3962709 -0.2395706 -1.3470442 38 O -2.9150445 -0.4522753 -0.4117283 -0.3925550 -1.4188344 -0.1659087 -0.3962709 -0.2395706 -1.3470442 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, 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[ 31, 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[ 32, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000107 (xyx) 0.00000107 (xyx) 0.00000107 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:42:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:42:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.308055945000000 -4.477058300000000 0.000000000000000 b 3.308055945000000 4.477058300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.613999230000001 Atomic positions (fractional): 1 Na 0.62681380623317 0.37318619376683 0.75000000000000 22.990 2 Na 0.37318619376683 0.62681380623317 0.25000000000000 22.990 3 Sb 0.11473051105920 0.88526948894080 0.42022962797838 121.760 4 Sb 0.88526948894080 0.11473051105920 0.57977037202162 121.760 5 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 6 Sb 0.11473051105920 0.88526948894080 0.07977037202162 121.760 7 Sb 0.88526948894080 0.11473051105920 0.92022962797838 121.760 8 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 9 Sb 0.73227690225927 0.26772309774073 0.13912733983115 121.760 10 Sb 0.73227690225927 0.26772309774073 0.36087266016885 121.760 11 Sb 0.26772309774073 0.73227690225927 0.63912733983115 121.760 12 Sb 0.26772309774073 0.73227690225927 0.86087266016885 121.760 13 O 0.96801643688916 0.43324237127837 0.63630558385556 15.999 14 O 0.43324237127837 0.96801643688916 0.13630558385556 15.999 15 O 0.43324237127837 0.96801643688916 0.36369441614444 15.999 16 O 0.96801643688916 0.43324237127837 0.86369441614444 15.999 17 O 0.18901367169589 0.18901367169589 0.50000000000000 15.999 18 O 0.18901367169589 0.18901367169589 0.00000000000000 15.999 19 O 0.48656861640995 0.51343138359005 0.88459688789462 15.999 20 O 0.33105389533342 0.66894610466658 0.75000000000000 15.999 21 O 0.27367297695551 0.72632702304449 0.51053514384236 15.999 22 O 0.27367297695551 0.72632702304449 0.98946485615764 15.999 23 O 0.05242803425517 0.94757196574483 0.84508877102989 15.999 24 O 0.94757196574483 0.05242803425517 0.34508877102989 15.999 25 O 0.72632702304449 0.27367297695551 0.01053514384236 15.999 26 O 0.51343138359005 0.48656861640995 0.11540311210538 15.999 27 O 0.94757196574483 0.05242803425517 0.15491122897011 15.999 28 O 0.51343138359005 0.48656861640995 0.38459688789462 15.999 29 O 0.66894610466658 0.33105389533342 0.25000000000000 15.999 30 O 0.72632702304449 0.27367297695551 0.48946485615764 15.999 31 O 0.48656861640995 0.51343138359005 0.61540311210538 15.999 32 O 0.05242803425517 0.94757196574483 0.65491122897011 15.999 33 O 0.81098632830411 0.81098632830411 0.00000000000000 15.999 34 O 0.81098632830411 0.81098632830411 0.50000000000000 15.999 35 O 0.03198356311084 0.56675762872163 0.13630558385556 15.999 36 O 0.56675762872163 0.03198356311084 0.86369441614444 15.999 37 O 0.56675762872163 0.03198356311084 0.63630558385556 15.999 38 O 0.03198356311084 0.56675762872163 0.36369441614444 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.616111890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.954116600000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.613999230000001 Atomic positions (fractional): 1 Na 0.50000000000000 0.87318619376683 0.75000000000000 22.990 > 1 2 Na 0.50000000000000 0.12681380623317 0.25000000000000 22.990 > 2 3 Na 0.00000000000000 0.37318619376683 0.75000000000000 22.990 > 1 4 Na 0.00000000000000 0.62681380623317 0.25000000000000 22.990 > 2 5 Sb 0.50000000000000 0.38526948894080 0.42022962797838 121.760 > 5 6 Sb 0.50000000000000 0.61473051105920 0.57977037202162 121.760 > 6 7 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 7 8 Sb 0.50000000000000 0.38526948894080 0.07977037202162 121.760 > 8 9 Sb 0.50000000000000 0.61473051105920 0.92022962797838 121.760 > 9 10 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 10 11 Sb 0.50000000000000 0.76772309774073 0.13912733983115 121.760 > 11 12 Sb 0.50000000000000 0.76772309774073 0.36087266016885 121.760 > 12 13 Sb 0.50000000000000 0.23227690225927 0.63912733983115 121.760 > 13 14 Sb 0.50000000000000 0.23227690225927 0.86087266016885 121.760 > 14 15 Sb 0.00000000000000 0.88526948894080 0.42022962797838 121.760 > 5 16 Sb 0.00000000000000 0.11473051105920 0.57977037202162 121.760 > 6 17 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 7 18 Sb 0.00000000000000 0.88526948894080 0.07977037202162 121.760 > 8 19 Sb 0.00000000000000 0.11473051105920 0.92022962797838 121.760 > 9 20 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 10 21 Sb 0.00000000000000 0.26772309774073 0.13912733983115 121.760 > 11 22 Sb 0.00000000000000 0.26772309774073 0.36087266016885 121.760 > 12 23 Sb 0.00000000000000 0.73227690225927 0.63912733983115 121.760 > 13 24 Sb 0.00000000000000 0.73227690225927 0.86087266016885 121.760 > 14 25 O 0.70062940408377 0.73261296719461 0.63630558385556 15.999 > 25 26 O 0.70062940408377 0.26738703280539 0.13630558385556 15.999 > 26 27 O 0.70062940408377 0.26738703280539 0.36369441614444 15.999 > 27 28 O 0.70062940408377 0.73261296719461 0.86369441614444 15.999 > 28 29 O 0.18901367169589 0.00000000000000 0.50000000000000 15.999 > 29 30 O 0.18901367169589 0.00000000000000 0.00000000000000 15.999 > 30 31 O 0.50000000000000 0.01343138359005 0.88459688789462 15.999 > 31 32 O 0.50000000000000 0.16894610466658 0.75000000000000 15.999 > 32 33 O 0.50000000000000 0.22632702304449 0.51053514384236 15.999 > 33 34 O 0.50000000000000 0.22632702304449 0.98946485615764 15.999 > 34 35 O 0.50000000000000 0.44757196574483 0.84508877102989 15.999 > 35 36 O 0.50000000000000 0.55242803425517 0.34508877102989 15.999 > 36 37 O 0.50000000000000 0.77367297695551 0.01053514384236 15.999 > 37 38 O 0.50000000000000 0.98656861640995 0.11540311210538 15.999 > 38 39 O 0.50000000000000 0.55242803425517 0.15491122897011 15.999 > 39 40 O 0.50000000000000 0.98656861640995 0.38459688789462 15.999 > 40 41 O 0.50000000000000 0.83105389533342 0.25000000000000 15.999 > 41 42 O 0.50000000000000 0.77367297695551 0.48946485615764 15.999 > 42 43 O 0.50000000000000 0.01343138359005 0.61540311210538 15.999 > 43 44 O 0.50000000000000 0.44757196574483 0.65491122897011 15.999 > 44 45 O 0.81098632830411 0.00000000000000 0.00000000000000 15.999 > 45 46 O 0.81098632830411 0.00000000000000 0.50000000000000 15.999 > 46 47 O 0.29937059591623 0.26738703280539 0.13630558385556 15.999 > 47 48 O 0.29937059591623 0.73261296719461 0.86369441614444 15.999 > 48 49 O 0.29937059591623 0.73261296719461 0.63630558385556 15.999 > 49 50 O 0.29937059591623 0.26738703280539 0.36369441614444 15.999 > 50 51 O 0.20062940408377 0.23261296719461 0.63630558385556 15.999 > 25 52 O 0.20062940408377 0.76738703280539 0.13630558385556 15.999 > 26 53 O 0.20062940408377 0.76738703280539 0.36369441614444 15.999 > 27 54 O 0.20062940408377 0.23261296719461 0.86369441614444 15.999 > 28 55 O 0.68901367169589 0.50000000000000 0.50000000000000 15.999 > 29 56 O 0.68901367169589 0.50000000000000 0.00000000000000 15.999 > 30 57 O 0.00000000000000 0.51343138359005 0.88459688789462 15.999 > 31 58 O 0.00000000000000 0.66894610466658 0.75000000000000 15.999 > 32 59 O 0.00000000000000 0.72632702304449 0.51053514384236 15.999 > 33 60 O 0.00000000000000 0.72632702304449 0.98946485615764 15.999 > 34 61 O 0.00000000000000 0.94757196574483 0.84508877102989 15.999 > 35 62 O 0.00000000000000 0.05242803425517 0.34508877102989 15.999 > 36 63 O 0.00000000000000 0.27367297695551 0.01053514384236 15.999 > 37 64 O 0.00000000000000 0.48656861640995 0.11540311210538 15.999 > 38 65 O 0.00000000000000 0.05242803425517 0.15491122897011 15.999 > 39 66 O 0.00000000000000 0.48656861640995 0.38459688789462 15.999 > 40 67 O 0.00000000000000 0.33105389533342 0.25000000000000 15.999 > 41 68 O 0.00000000000000 0.27367297695551 0.48946485615764 15.999 > 42 69 O 0.00000000000000 0.51343138359005 0.61540311210538 15.999 > 43 70 O 0.00000000000000 0.94757196574483 0.65491122897011 15.999 > 44 71 O 0.31098632830411 0.50000000000000 0.00000000000000 15.999 > 45 72 O 0.31098632830411 0.50000000000000 0.50000000000000 15.999 > 46 73 O 0.79937059591623 0.76738703280539 0.13630558385556 15.999 > 47 74 O 0.79937059591623 0.23261296719461 0.86369441614444 15.999 > 48 75 O 0.79937059591623 0.23261296719461 0.63630558385556 15.999 > 49 76 O 0.79937059591623 0.76738703280539 0.36369441614444 15.999 > 50 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3520916 0.0000000 0.0000000 0.0000000 4.3209876 0.0000000 0.0000000 0.0000000 3.9129728 -------------------------- Born effective charges -------------------------- 1 Na 1.0469190 0.0000000 0.0000000 0.0000000 1.2741604 -0.0000000 0.0000000 0.0000000 1.6961775 2 Na 1.0469190 0.0000000 0.0000000 0.0000000 1.2741604 -0.0000000 0.0000000 0.0000000 1.6961775 3 Sb 4.9500843 0.0000000 0.0000000 0.0000000 5.3917139 -0.7883934 0.0000000 0.2205307 3.7573492 4 Sb 4.9500843 0.0000000 0.0000000 0.0000000 5.3917139 -0.7883934 0.0000000 0.2205307 3.7573492 5 Sb 5.5766091 0.0000000 0.0000000 0.0000000 5.0628179 1.0189623 0.0000000 -0.0184588 2.8903732 6 Sb 4.9500843 0.0000000 0.0000000 0.0000000 5.3917139 0.7883934 0.0000000 -0.2205307 3.7573492 7 Sb 4.9500843 0.0000000 0.0000000 0.0000000 5.3917139 0.7883934 0.0000000 -0.2205307 3.7573492 8 Sb 5.5766091 0.0000000 0.0000000 0.0000000 5.0628179 -1.0189623 0.0000000 0.0184588 2.8903732 9 Sb 5.0749256 0.0000000 0.0000000 0.0000000 4.1538656 -0.4147471 0.0000000 0.2191196 5.4339571 10 Sb 5.0749256 0.0000000 0.0000000 0.0000000 4.1538656 0.4147471 0.0000000 -0.2191196 5.4339571 11 Sb 5.0749256 0.0000000 0.0000000 0.0000000 4.1538656 0.4147471 0.0000000 -0.2191196 5.4339571 12 Sb 5.0749256 0.0000000 0.0000000 0.0000000 4.1538656 -0.4147471 0.0000000 0.2191196 5.4339571 13 O -2.9150445 -0.4522753 -0.4117283 -0.3925550 -1.4188344 -0.1659087 -0.3962709 -0.2395706 -1.3470442 14 O -2.9150445 0.4522753 -0.4117283 0.3925550 -1.4188344 0.1659087 -0.3962709 0.2395706 -1.3470442 15 O -2.9150445 0.4522753 0.4117283 0.3925550 -1.4188344 -0.1659087 0.3962709 -0.2395706 -1.3470442 16 O -2.9150445 -0.4522753 0.4117283 -0.3925550 -1.4188344 0.1659087 0.3962709 0.2395706 -1.3470442 17 O -3.0241248 0.0000000 0.0000000 0.0000000 -1.7796973 -0.4900270 0.0000000 -0.4976550 -1.5207527 18 O -3.0241248 0.0000000 0.0000000 0.0000000 -1.7796973 0.4900270 0.0000000 0.4976550 -1.5207527 19 O -1.3641353 0.0000000 0.0000000 0.0000000 -1.8456041 0.2957923 0.0000000 0.4256821 -1.7377147 20 O -1.1575052 0.0000000 0.0000000 0.0000000 -1.2450613 -0.0000000 0.0000000 0.0000000 -4.3104932 21 O -1.2984653 0.0000000 0.0000000 0.0000000 -2.6369301 0.4366927 0.0000000 0.2692151 -2.0389487 22 O -1.2984653 0.0000000 0.0000000 0.0000000 -2.6369301 -0.4366927 0.0000000 -0.2692151 -2.0389487 23 O -1.2412070 0.0000000 0.0000000 0.0000000 -2.9916378 -0.5613377 0.0000000 -0.6411077 -1.3378306 24 O -1.2412070 0.0000000 0.0000000 0.0000000 -2.9916378 0.5613377 0.0000000 0.6411077 -1.3378306 25 O -1.2984653 0.0000000 0.0000000 0.0000000 -2.6369301 -0.4366927 0.0000000 -0.2692151 -2.0389487 26 O -1.3641353 0.0000000 0.0000000 0.0000000 -1.8456041 0.2957923 0.0000000 0.4256821 -1.7377147 27 O -1.2412070 0.0000000 0.0000000 0.0000000 -2.9916378 -0.5613377 0.0000000 -0.6411077 -1.3378306 28 O -1.3641353 0.0000000 0.0000000 0.0000000 -1.8456041 -0.2957923 0.0000000 -0.4256821 -1.7377147 29 O -1.1575052 0.0000000 0.0000000 0.0000000 -1.2450613 -0.0000000 0.0000000 0.0000000 -4.3104932 30 O -1.2984653 0.0000000 0.0000000 0.0000000 -2.6369301 0.4366927 0.0000000 0.2692151 -2.0389487 31 O -1.3641353 0.0000000 0.0000000 0.0000000 -1.8456041 -0.2957923 0.0000000 -0.4256821 -1.7377147 32 O -1.2412070 0.0000000 0.0000000 0.0000000 -2.9916378 0.5613377 0.0000000 0.6411077 -1.3378306 33 O -3.0241248 0.0000000 0.0000000 0.0000000 -1.7796973 0.4900270 0.0000000 0.4976550 -1.5207527 34 O -3.0241248 0.0000000 0.0000000 0.0000000 -1.7796973 -0.4900270 0.0000000 -0.4976550 -1.5207527 35 O -2.9150445 -0.4522753 0.4117283 -0.3925550 -1.4188344 0.1659087 0.3962709 0.2395706 -1.3470442 36 O -2.9150445 0.4522753 -0.4117283 0.3925550 -1.4188344 0.1659087 -0.3962709 0.2395706 -1.3470442 37 O -2.9150445 0.4522753 0.4117283 0.3925550 -1.4188344 -0.1659087 0.3962709 -0.2395706 -1.3470442 38 O -2.9150445 -0.4522753 -0.4117283 -0.3925550 -1.4188344 -0.1659087 -0.3962709 -0.2395706 -1.3470442 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000107 (xyx) 0.00000107 (xyx) 0.00000107 (xxy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 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: 0.53, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 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 1.040 ( 0.000 0.000 0.000) 0.000 1.135 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.527 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.246 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 5.364 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.844 ( 0.000 0.000 0.000) 0.000 6.014 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 0.000) 0.000 6.274 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.665 ( 0.000 0.000 0.000) 0.000 6.721 ( 0.000 0.000 0.000) 0.000 6.900 ( 0.000 0.000 0.000) 0.000 7.122 ( 0.000 0.000 0.000) 0.000 7.167 ( 0.000 0.000 0.000) 0.000 7.312 ( 0.000 0.000 0.000) 0.000 7.408 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.514 ( 0.000 0.000 0.000) 0.000 7.528 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 7.822 ( 0.000 0.000 0.000) 0.000 7.836 ( 0.000 0.000 0.000) 0.000 8.335 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 0.000) 0.000 8.699 ( 0.000 0.000 0.000) 0.000 8.763 ( 0.000 0.000 0.000) 0.000 8.786 ( 0.000 0.000 0.000) 0.000 9.037 ( 0.000 0.000 0.000) 0.000 9.765 ( 0.000 0.000 0.000) 0.000 10.016 ( 0.000 0.000 0.000) 0.000 10.680 ( 0.000 0.000 0.000) 0.000 10.755 ( 0.000 0.000 0.000) 0.000 10.986 ( 0.000 0.000 0.000) 0.000 11.254 ( 0.000 0.000 0.000) 0.000 12.526 ( 0.000 0.000 0.000) 0.000 12.539 ( 0.000 0.000 0.000) 0.000 12.613 ( 0.000 0.000 0.000) 0.000 12.752 ( 0.000 0.000 0.000) 0.000 12.780 ( 0.000 0.000 0.000) 0.000 12.834 ( 0.000 0.000 0.000) 0.000 12.837 ( 0.000 0.000 0.000) 0.000 12.863 ( 0.000 0.000 0.000) 0.000 12.892 ( 0.000 0.000 0.000) 0.000 13.598 ( 0.000 0.000 0.000) 0.000 13.774 ( 0.000 0.000 0.000) 0.000 13.842 ( 0.000 0.000 0.000) 0.000 14.174 ( 0.000 0.000 0.000) 0.000 14.266 ( 0.000 0.000 0.000) 0.000 14.711 ( 0.000 0.000 0.000) 0.000 14.818 ( 0.000 0.000 0.000) 0.000 15.194 ( 0.000 0.000 0.000) 0.000 15.197 ( 0.000 0.000 0.000) 0.000 15.724 ( 0.000 0.000 0.000) 0.000 15.828 ( 0.000 0.000 0.000) 0.000 15.834 ( 0.000 0.000 0.000) 0.000 15.974 ( 0.000 0.000 0.000) 0.000 16.461 ( 0.000 0.000 0.000) 0.000 16.489 ( 0.000 0.000 0.000) 0.000 17.206 ( 0.000 0.000 0.000) 0.000 17.466 ( 0.000 0.000 0.000) 0.000 18.551 ( 0.000 0.000 0.000) 0.000 18.565 ( 0.000 0.000 0.000) 0.000 19.682 ( 0.000 0.000 0.000) 0.000 19.732 ( 0.000 0.000 0.000) 0.000 19.773 ( 0.000 0.000 0.000) 0.000 20.593 ( 0.000 0.000 0.000) 0.000 20.754 ( 0.000 0.000 0.000) 0.000 21.073 ( 0.000 0.000 0.000) 0.000 21.121 ( 0.000 0.000 0.000) 0.000 21.191 ( 0.000 0.000 0.000) 0.000 21.225 ( 0.000 0.000 0.000) 0.000 21.233 ( 0.000 0.000 0.000) 0.000 21.257 ( 0.000 0.000 0.000) 0.000 21.270 ( 0.000 0.000 0.000) 0.000 21.460 ( 0.000 0.000 0.000) 0.000 21.835 ( 0.000 0.000 0.000) 0.000 21.874 ( 0.000 0.000 0.000) 0.000 22.112 ( 0.000 0.000 0.000) 0.000 23.727 ( 0.000 0.000 0.000) 0.000 24.378 ( 0.000 0.000 0.000) 0.000 24.586 ( 0.000 0.000 0.000) 0.000 24.769 ( 0.000 0.000 0.000) 0.000 26.537 ( 0.000 0.000 0.000) 0.000 27.002 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 26.914 -10.679 0.000) 28.956 0.802 ( 14.127 -47.152 0.000) 49.223 1.371 ( 11.417 -18.448 0.000) 21.695 1.414 ( 75.771 -8.309 0.000) 76.225 1.747 ( 59.740 -7.649 0.000) 60.228 2.147 ( 11.583 -1.473 0.000) 11.676 2.238 ( 3.015 19.584 0.000) 19.814 2.512 ( 26.418 -8.495 0.000) 27.751 2.549 ( 19.263 2.137 0.000) 19.381 2.643 ( 14.714 -2.656 0.000) 14.952 2.983 ( 5.324 -0.274 0.000) 5.331 3.124 ( 2.982 -14.133 0.000) 14.444 3.361 ( 1.729 14.597 0.000) 14.699 3.415 ( 4.467 13.666 0.000) 14.377 3.450 ( 0.601 3.408 0.000) 3.461 3.481 ( -0.707 -3.305 0.000) 3.380 3.687 ( -3.246 -3.373 0.000) 4.681 3.846 ( 11.799 -2.484 0.000) 12.058 3.864 ( 3.294 -17.036 0.000) 17.352 3.939 ( -1.302 -5.415 0.000) 5.570 4.124 ( 7.049 -1.572 0.000) 7.222 4.334 ( 7.205 -2.490 0.000) 7.623 4.414 ( 9.674 -2.401 0.000) 9.968 4.454 ( 5.676 -4.862 0.000) 7.474 4.527 ( -3.240 5.202 0.000) 6.128 4.750 ( -0.522 -6.284 0.000) 6.306 5.431 ( -1.733 5.139 0.000) 5.424 5.497 ( 11.992 0.874 0.000) 12.024 5.561 ( -10.371 2.747 0.000) 10.728 5.645 ( 1.865 6.493 0.000) 6.755 5.745 ( -1.368 4.485 0.000) 4.689 5.970 ( 5.174 -2.735 0.000) 5.852 6.013 ( -4.961 -1.256 0.000) 5.118 6.092 ( -1.415 -3.131 0.000) 3.436 6.156 ( 4.698 2.130 0.000) 5.158 6.403 ( 7.225 -3.224 0.000) 7.911 6.659 ( 6.362 3.710 0.000) 7.365 6.785 ( 4.552 -1.518 0.000) 4.799 6.785 ( 9.934 1.602 0.000) 10.062 6.998 ( -7.631 7.494 0.000) 10.695 7.047 ( -5.219 3.863 0.000) 6.493 7.188 ( -6.696 -7.346 0.000) 9.939 7.222 ( 1.944 -3.356 0.000) 3.878 7.488 ( -2.045 2.065 0.000) 2.907 7.524 ( -0.381 2.833 0.000) 2.858 7.555 ( -2.947 1.081 0.000) 3.139 7.577 ( 7.364 1.701 0.000) 7.558 7.705 ( -0.555 0.412 0.000) 0.691 7.767 ( 2.515 5.128 0.000) 5.712 8.000 ( 18.001 19.175 0.000) 26.301 8.098 ( 19.201 15.253 0.000) 24.522 8.329 ( 1.553 6.575 0.000) 6.756 8.678 ( -1.046 1.779 0.000) 2.063 8.725 ( -1.152 3.991 0.000) 4.154 8.727 ( -4.698 -3.451 0.000) 5.829 8.795 ( 6.383 -24.988 0.000) 25.791 9.028 ( -0.854 0.319 0.000) 0.911 9.335 ( -14.151 -23.094 0.000) 27.085 9.703 ( -5.348 1.330 0.000) 5.511 10.510 ( 15.085 27.417 0.000) 31.293 10.665 ( -2.604 -1.103 0.000) 2.828 10.733 ( -3.355 -0.769 0.000) 3.442 10.973 ( -0.271 1.327 0.000) 1.355 11.347 ( -5.337 -6.744 0.000) 8.600 12.302 ( -20.110 -0.587 0.000) 20.119 12.359 ( -17.184 -2.362 0.000) 17.345 12.476 ( -23.516 -1.290 0.000) 23.551 12.617 ( -18.784 -1.428 0.000) 18.838 12.633 ( 0.202 -0.498 0.000) 0.537 12.844 ( 5.136 -0.481 0.000) 5.159 13.041 ( 13.197 -2.259 0.000) 13.389 13.083 ( 8.586 -2.632 0.000) 8.980 13.142 ( 8.207 -2.205 0.000) 8.498 13.588 ( 3.055 3.877 0.000) 4.936 13.795 ( 5.171 2.302 0.000) 5.660 13.921 ( 0.805 -5.048 0.000) 5.112 14.151 ( -0.127 1.361 0.000) 1.367 14.268 ( 1.576 1.848 0.000) 2.429 14.750 ( -3.153 -7.245 0.000) 7.901 14.884 ( -11.501 -9.666 0.000) 15.023 15.222 ( 3.369 0.325 0.000) 3.385 15.245 ( 4.622 0.218 0.000) 4.627 15.683 ( -1.725 3.446 0.000) 3.853 15.799 ( -3.361 -2.238 0.000) 4.038 15.869 ( -1.794 7.153 0.000) 7.374 16.349 ( -13.393 -2.998 0.000) 13.725 16.635 ( 10.843 -8.949 0.000) 14.059 17.025 ( 6.982 -10.241 0.000) 12.394 17.199 ( 0.158 1.219 0.000) 1.229 17.416 ( -2.719 3.304 0.000) 4.279 18.584 ( 2.193 -2.156 0.000) 3.075 18.598 ( 2.275 -2.070 0.000) 3.076 19.554 ( 2.024 14.411 0.000) 14.553 19.821 ( 6.517 4.208 0.000) 7.758 19.883 ( 3.509 -10.339 0.000) 10.918 20.344 ( -19.411 7.191 0.000) 20.700 20.748 ( -5.825 -6.630 0.000) 8.825 20.784 ( -12.799 -10.058 0.000) 16.278 20.947 ( -12.406 -2.723 0.000) 12.702 21.174 ( -5.439 -0.224 0.000) 5.444 21.180 ( -3.992 -0.579 0.000) 4.034 21.405 ( 9.202 -0.871 0.000) 9.243 21.618 ( 12.710 -1.169 0.000) 12.764 21.695 ( 16.436 2.634 0.000) 16.646 21.829 ( -1.963 2.643 0.000) 3.292 21.844 ( 0.787 -2.339 0.000) 2.468 22.282 ( 28.224 -2.446 0.000) 28.330 23.756 ( 4.149 1.193 0.000) 4.318 23.920 ( 3.384 11.525 0.000) 12.011 24.381 ( 2.486 2.973 0.000) 3.875 24.584 ( 0.984 2.241 0.000) 2.447 24.769 ( -6.681 -2.327 0.000) 7.075 26.512 ( -2.354 0.721 0.000) 2.461 26.906 ( -6.941 4.649 0.000) 8.354 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 27.323 -13.442 0.000) 30.450 1.619 ( 14.898 -42.700 0.000) 45.224 1.851 ( 13.491 -21.364 0.000) 25.267 1.977 ( 7.541 22.948 0.000) 24.155 2.451 ( 13.860 -2.050 0.000) 14.011 2.572 ( 25.075 -0.836 0.000) 25.089 2.836 ( 41.661 -1.610 0.000) 41.692 2.870 ( 53.429 -4.083 0.000) 53.585 2.995 ( 9.703 2.592 0.000) 10.043 3.050 ( 22.828 -1.335 0.000) 22.867 3.158 ( 17.333 -5.073 0.000) 18.061 3.258 ( 4.656 -2.948 0.000) 5.510 3.309 ( 14.088 5.902 0.000) 15.275 3.413 ( 1.848 2.857 0.000) 3.402 3.459 ( 6.047 -1.544 0.000) 6.241 3.537 ( -6.528 5.247 0.000) 8.375 3.651 ( 21.675 -2.667 0.000) 21.839 4.120 ( 8.175 -11.494 0.000) 14.105 4.171 ( 17.849 -4.047 0.000) 18.302 4.175 ( 9.816 -15.361 0.000) 18.229 4.309 ( -5.250 5.953 0.000) 7.937 4.314 ( 7.792 -7.782 0.000) 11.012 4.566 ( 10.351 -3.041 0.000) 10.789 4.646 ( 12.577 -2.319 0.000) 12.789 4.726 ( 7.863 -14.675 0.000) 16.649 4.890 ( 6.523 -8.965 0.000) 11.086 5.281 ( -12.889 -2.026 0.000) 13.047 5.360 ( -5.306 4.728 0.000) 7.107 5.633 ( 2.659 4.233 0.000) 4.999 5.662 ( 7.147 7.430 0.000) 10.310 5.709 ( 8.767 3.904 0.000) 9.597 5.885 ( -3.666 2.932 0.000) 4.695 6.078 ( 0.785 -3.836 0.000) 3.915 6.089 ( -1.240 0.137 0.000) 1.247 6.240 ( 5.023 -0.106 0.000) 5.025 6.542 ( 5.791 3.123 0.000) 6.579 6.640 ( -1.691 7.862 0.000) 8.042 6.790 ( -2.627 5.263 0.000) 5.883 6.866 ( 4.887 0.462 0.000) 4.909 6.913 ( 2.586 3.437 0.000) 4.301 6.945 ( -4.850 -2.716 0.000) 5.559 7.190 ( -4.064 -5.691 0.000) 6.993 7.314 ( 2.589 -5.168 0.000) 5.781 7.417 ( -3.971 1.456 0.000) 4.229 7.456 ( 3.807 4.405 0.000) 5.822 7.609 ( 2.695 -2.957 0.000) 4.001 7.628 ( 2.962 3.470 0.000) 4.562 7.670 ( -1.695 3.984 0.000) 4.330 7.738 ( 0.033 2.527 0.000) 2.528 8.097 ( 4.682 -2.802 0.000) 5.456 8.153 ( 9.418 12.104 0.000) 15.337 8.258 ( 1.652 7.893 0.000) 8.064 8.600 ( -8.272 -0.532 0.000) 8.289 8.639 ( -0.349 3.705 0.000) 3.722 8.644 ( -1.211 4.785 0.000) 4.935 9.001 ( -0.864 1.447 0.000) 1.685 9.169 ( -2.811 -13.189 0.000) 13.485 9.405 ( -2.158 -9.582 0.000) 9.823 9.663 ( 3.498 -6.216 0.000) 7.132 10.400 ( 3.607 14.573 0.000) 15.013 10.619 ( -4.940 -1.506 0.000) 5.165 10.659 ( -6.649 -1.067 0.000) 6.735 10.956 ( 0.229 1.026 0.000) 1.052 11.338 ( -3.356 -3.592 0.000) 4.916 11.951 ( -21.451 -0.406 0.000) 21.455 12.068 ( -20.625 -2.593 0.000) 20.787 12.093 ( -22.901 -0.902 0.000) 22.919 12.283 ( -22.293 -1.392 0.000) 22.337 12.637 ( 0.155 0.124 0.000) 0.198 12.885 ( -0.572 -1.074 0.000) 1.217 13.201 ( 3.370 -1.337 0.000) 3.625 13.283 ( 11.236 -2.891 0.000) 11.602 13.301 ( 5.583 -4.214 0.000) 6.995 13.643 ( 7.144 1.405 0.000) 7.281 13.893 ( 7.606 0.131 0.000) 7.607 13.994 ( 2.654 -1.193 0.000) 2.909 14.163 ( 1.730 -0.858 0.000) 1.931 14.276 ( 2.179 1.927 0.000) 2.908 14.749 ( -4.683 -3.955 0.000) 6.129 14.806 ( -6.753 -3.017 0.000) 7.396 15.260 ( 1.806 2.418 0.000) 3.018 15.303 ( 3.803 3.170 0.000) 4.951 15.593 ( -3.367 3.924 0.000) 5.170 15.717 ( -5.432 6.103 0.000) 8.170 15.824 ( -1.009 -8.491 0.000) 8.551 16.209 ( -11.117 -9.110 0.000) 14.373 16.939 ( 9.320 -8.814 0.000) 12.827 17.189 ( 1.340 1.217 0.000) 1.810 17.236 ( 3.216 -2.277 0.000) 3.941 17.353 ( 1.419 -2.153 0.000) 2.579 18.672 ( 3.698 -3.752 0.000) 5.269 18.688 ( 4.101 -3.667 0.000) 5.501 19.406 ( 0.180 12.571 0.000) 12.573 19.699 ( -8.927 11.219 0.000) 14.337 20.082 ( 7.349 -6.582 0.000) 9.866 20.203 ( 4.643 -4.127 0.000) 6.212 20.710 ( -8.786 -6.929 0.000) 11.189 20.767 ( -3.978 -7.173 0.000) 8.202 20.836 ( -5.990 -4.865 0.000) 7.717 21.098 ( -4.747 1.462 0.000) 4.967 21.121 ( -1.599 -0.500 0.000) 1.675 21.442 ( -3.965 1.464 0.000) 4.226 21.746 ( -4.828 1.684 0.000) 5.114 21.801 ( 3.781 2.300 0.000) 4.426 21.853 ( 11.383 -3.400 0.000) 11.880 21.968 ( 7.046 -5.528 0.000) 8.956 22.805 ( 25.217 -3.240 0.000) 25.424 23.817 ( -4.312 2.967 0.000) 5.234 23.827 ( 6.335 2.068 0.000) 6.663 24.383 ( 3.224 4.662 0.000) 5.668 24.548 ( -3.588 -0.250 0.000) 3.597 24.699 ( -0.568 2.876 0.000) 2.932 26.449 ( -3.472 1.007 0.000) 3.615 26.702 ( -8.685 5.290 0.000) 10.169 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 25.248 -15.095 0.000) 29.417 1.902 ( 11.064 11.490 0.000) 15.951 2.291 ( 10.412 -15.684 0.000) 18.825 2.306 ( 9.631 -23.238 0.000) 25.154 2.604 ( 4.740 -1.112 0.000) 4.868 2.707 ( 5.087 2.127 0.000) 5.514 2.891 ( 3.095 4.609 0.000) 5.552 2.972 ( 1.006 12.126 0.000) 12.168 3.304 ( -3.908 3.042 0.000) 4.953 3.332 ( 4.850 0.392 0.000) 4.866 3.375 ( -2.122 8.761 0.000) 9.015 3.382 ( -0.378 -8.313 0.000) 8.321 3.615 ( 10.162 -2.148 0.000) 10.387 3.662 ( 12.965 -3.475 0.000) 13.423 3.812 ( 26.616 0.969 0.000) 26.634 3.934 ( 47.779 -6.263 0.000) 48.188 4.106 ( 24.448 -0.908 0.000) 24.465 4.247 ( 10.511 -1.743 0.000) 10.655 4.386 ( 8.695 -10.243 0.000) 13.435 4.531 ( 5.496 -7.158 0.000) 9.024 4.571 ( 17.852 -7.361 0.000) 19.310 4.600 ( 22.806 -6.252 0.000) 23.647 4.763 ( 7.816 -4.174 0.000) 8.861 4.837 ( 8.925 0.141 0.000) 8.926 5.083 ( 9.207 -17.997 0.000) 20.215 5.128 ( -6.249 -3.811 0.000) 7.319 5.170 ( 12.140 -9.180 0.000) 15.220 5.294 ( -3.020 -3.088 0.000) 4.319 5.593 ( 3.782 6.761 0.000) 7.747 5.636 ( 2.579 5.414 0.000) 5.997 5.847 ( 9.057 1.042 0.000) 9.117 5.890 ( 5.142 0.355 0.000) 5.155 6.026 ( -2.630 6.000 0.000) 6.551 6.094 ( -4.029 -1.306 0.000) 4.235 6.253 ( -2.230 3.441 0.000) 4.101 6.496 ( -2.392 7.649 0.000) 8.014 6.508 ( 1.289 6.235 0.000) 6.367 6.658 ( -5.924 2.057 0.000) 6.271 6.845 ( -3.208 6.473 0.000) 7.225 6.937 ( 1.563 -1.040 0.000) 1.877 6.990 ( 6.382 -1.443 0.000) 6.543 7.128 ( -8.992 1.142 0.000) 9.064 7.313 ( -7.561 -0.394 0.000) 7.571 7.430 ( 5.800 1.733 0.000) 6.054 7.493 ( 3.571 -5.291 0.000) 6.383 7.525 ( -10.113 2.186 0.000) 10.347 7.574 ( 0.901 9.529 0.000) 9.572 7.732 ( 4.322 -3.559 0.000) 5.599 7.748 ( -0.695 -4.936 0.000) 4.985 8.117 ( -3.504 1.833 0.000) 3.954 8.136 ( 1.208 5.100 0.000) 5.241 8.290 ( 7.737 -0.442 0.000) 7.750 8.489 ( -1.794 2.406 0.000) 3.001 8.585 ( -0.031 3.122 0.000) 3.122 8.603 ( -0.129 1.719 0.000) 1.724 8.972 ( 0.190 2.069 0.000) 2.078 9.057 ( -13.484 -0.999 0.000) 13.521 9.478 ( 0.638 -3.468 0.000) 3.526 9.931 ( 11.114 -8.925 0.000) 14.254 10.304 ( 3.139 8.539 0.000) 9.097 10.535 ( -6.899 -0.832 0.000) 6.949 10.545 ( -8.648 -1.592 0.000) 8.793 10.954 ( 0.355 0.336 0.000) 0.489 11.323 ( -2.702 -1.923 0.000) 3.317 11.622 ( -17.068 -0.061 0.000) 17.068 11.758 ( -17.851 -1.046 0.000) 17.882 11.762 ( -16.302 -0.433 0.000) 16.307 11.935 ( -19.461 -0.637 0.000) 19.472 12.637 ( 0.175 0.282 0.000) 0.332 12.886 ( -1.107 -1.846 0.000) 2.152 13.253 ( 1.396 -1.175 0.000) 1.824 13.427 ( 2.852 -4.433 0.000) 5.271 13.475 ( 7.335 -2.310 0.000) 7.690 13.757 ( 5.953 -0.553 0.000) 5.979 14.003 ( 2.371 -0.902 0.000) 2.537 14.047 ( 6.162 2.077 0.000) 6.502 14.215 ( 2.118 -1.686 0.000) 2.707 14.293 ( 1.287 0.176 0.000) 1.299 14.715 ( -2.793 -1.366 0.000) 3.110 14.742 ( -3.502 -0.796 0.000) 3.592 15.218 ( -1.766 3.336 0.000) 3.774 15.282 ( -0.416 4.226 0.000) 4.246 15.492 ( -2.627 3.444 0.000) 4.331 15.569 ( -3.790 4.377 0.000) 5.789 15.948 ( 0.793 -9.876 0.000) 9.908 16.202 ( -5.275 -10.719 0.000) 11.947 17.061 ( 0.439 1.113 0.000) 1.196 17.186 ( -1.751 4.231 0.000) 4.579 17.287 ( 5.894 -5.416 0.000) 8.005 17.511 ( 4.934 -6.397 0.000) 8.079 18.794 ( 4.307 -4.950 0.000) 6.561 18.822 ( 5.533 -4.763 0.000) 7.301 19.249 ( -1.951 10.252 0.000) 10.436 19.416 ( -9.309 8.006 0.000) 12.278 20.280 ( 7.282 -4.797 0.000) 8.720 20.369 ( 7.794 -1.075 0.000) 7.867 20.649 ( -6.090 -4.108 0.000) 7.346 20.828 ( 1.102 -7.329 0.000) 7.411 20.846 ( 0.139 -3.783 0.000) 3.786 21.001 ( -3.853 1.750 0.000) 4.232 21.117 ( -0.169 -0.693 0.000) 0.713 21.297 ( -9.343 1.950 0.000) 9.545 21.614 ( -7.604 2.695 0.000) 8.067 21.821 ( 1.383 0.889 0.000) 1.644 22.062 ( 7.412 -4.033 0.000) 8.438 22.150 ( 5.899 -4.672 0.000) 7.525 23.166 ( 14.653 -1.211 0.000) 14.703 23.718 ( -4.785 0.267 0.000) 4.792 23.905 ( 5.608 2.043 0.000) 5.969 24.374 ( 2.333 4.207 0.000) 4.810 24.500 ( -3.293 -2.068 0.000) 3.889 24.667 ( 1.601 4.189 0.000) 4.484 26.383 ( -2.744 0.713 0.000) 2.835 26.514 ( -6.634 3.552 0.000) 7.525 ======================= Grid point 4 (5/50) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 10.136 0.592 0.000) 10.153 2.326 ( -5.810 6.694 0.000) 8.864 2.357 ( 18.316 -15.181 0.000) 23.789 2.563 ( 6.057 -3.911 0.000) 7.210 2.735 ( 1.582 -2.523 0.000) 2.978 2.751 ( 2.146 1.195 0.000) 2.456 2.800 ( -7.182 7.646 0.000) 10.490 3.087 ( 5.830 -14.303 0.000) 15.446 3.092 ( -7.106 8.466 0.000) 11.053 3.322 ( 0.639 1.305 0.000) 1.453 3.367 ( 0.825 0.390 0.000) 0.913 3.459 ( 1.946 -3.351 0.000) 3.875 3.665 ( -1.137 5.434 0.000) 5.552 3.804 ( 2.836 -0.538 0.000) 2.886 3.906 ( 0.204 1.042 0.000) 1.062 4.315 ( 5.041 0.734 0.000) 5.095 4.495 ( 7.087 -1.636 0.000) 7.274 4.619 ( 20.035 -0.308 0.000) 20.037 4.634 ( 5.879 -1.167 0.000) 5.993 4.689 ( 8.175 -1.670 0.000) 8.344 4.823 ( 4.442 -4.270 0.000) 6.162 4.935 ( 5.760 -7.817 0.000) 9.710 4.986 ( 5.127 2.039 0.000) 5.517 5.010 ( 11.456 -2.199 0.000) 11.665 5.172 ( 2.065 -4.965 0.000) 5.378 5.256 ( -4.838 -2.523 0.000) 5.456 5.354 ( 1.895 -5.882 0.000) 6.180 5.495 ( 9.943 -10.806 0.000) 14.684 5.679 ( 11.964 2.140 0.000) 12.154 5.736 ( 9.249 -1.502 0.000) 9.370 5.834 ( -4.812 7.618 0.000) 9.010 5.975 ( 1.709 -2.556 0.000) 3.074 5.978 ( 3.483 0.297 0.000) 3.496 5.989 ( -3.156 -0.425 0.000) 3.185 6.125 ( -5.817 6.989 0.000) 9.094 6.377 ( -2.864 4.219 0.000) 5.099 6.474 ( 0.645 2.483 0.000) 2.565 6.579 ( -1.801 0.418 0.000) 1.849 6.684 ( -5.383 4.094 0.000) 6.763 6.915 ( -7.706 3.678 0.000) 8.538 6.970 ( 4.872 4.527 0.000) 6.651 7.062 ( -3.548 -3.042 0.000) 4.674 7.227 ( 0.448 -0.731 0.000) 0.857 7.331 ( -10.136 -0.672 0.000) 10.159 7.486 ( 0.368 4.833 0.000) 4.847 7.490 ( 2.727 0.292 0.000) 2.742 7.639 ( 1.954 -6.959 0.000) 7.228 7.779 ( 1.409 3.235 0.000) 3.528 7.807 ( -0.257 -4.612 0.000) 4.619 8.029 ( -1.250 3.894 0.000) 4.089 8.077 ( -3.117 0.024 0.000) 3.117 8.423 ( 3.810 -3.236 0.000) 4.999 8.502 ( 4.718 1.931 0.000) 5.097 8.549 ( -0.469 2.488 0.000) 2.532 8.588 ( -0.182 0.375 0.000) 0.417 8.867 ( -7.942 -0.288 0.000) 7.948 8.958 ( 0.392 0.964 0.000) 1.040 9.506 ( 0.134 -0.444 0.000) 0.464 10.195 ( 10.123 -4.438 0.000) 11.053 10.312 ( 7.031 4.205 0.000) 8.192 10.403 ( -8.614 1.124 0.000) 8.687 10.418 ( -9.097 -2.391 0.000) 9.406 10.956 ( 0.112 0.056 0.000) 0.126 11.296 ( -1.931 -0.578 0.000) 2.015 11.415 ( -6.706 0.080 0.000) 6.706 11.542 ( -7.331 -0.141 0.000) 7.332 11.593 ( -3.623 0.134 0.000) 3.626 11.686 ( -9.583 -0.336 0.000) 9.589 12.637 ( 0.083 0.092 0.000) 0.124 12.893 ( -0.343 -0.948 0.000) 1.008 13.280 ( 0.449 -0.520 0.000) 0.687 13.500 ( 0.819 -2.081 0.000) 2.236 13.578 ( 2.547 -0.841 0.000) 2.682 13.834 ( 2.171 -0.433 0.000) 2.214 14.010 ( 0.352 1.015 0.000) 1.075 14.126 ( 3.169 0.254 0.000) 3.180 14.260 ( 0.954 -0.905 0.000) 1.315 14.308 ( 0.089 -0.527 0.000) 0.534 14.695 ( -0.750 -0.239 0.000) 0.788 14.710 ( -0.935 -0.041 0.000) 0.936 15.152 ( -1.474 1.476 0.000) 2.086 15.220 ( -1.220 1.811 0.000) 2.183 15.431 ( -0.887 1.342 0.000) 1.608 15.491 ( -1.087 1.558 0.000) 1.900 16.055 ( 0.579 -4.285 0.000) 4.324 16.255 ( -1.193 -4.777 0.000) 4.923 17.034 ( -0.333 1.401 0.000) 1.440 17.121 ( -0.773 2.040 0.000) 2.182 17.414 ( 2.288 -2.520 0.000) 3.404 17.625 ( 1.817 -2.360 0.000) 2.979 18.935 ( 4.118 -6.267 0.000) 7.499 18.988 ( 6.499 -5.432 0.000) 8.470 19.089 ( -3.349 8.072 0.000) 8.739 19.187 ( -7.541 6.276 0.000) 9.811 20.422 ( 3.287 -2.518 0.000) 4.141 20.453 ( 2.133 0.303 0.000) 2.154 20.610 ( -2.349 -1.162 0.000) 2.621 20.922 ( -1.860 -1.716 0.000) 2.531 20.926 ( 5.194 -1.223 0.000) 5.336 20.984 ( 4.647 -2.126 0.000) 5.110 21.115 ( -8.720 1.002 0.000) 8.777 21.124 ( 0.004 -0.120 0.000) 0.120 21.451 ( -5.886 2.532 0.000) 6.408 21.830 ( 0.409 0.176 0.000) 0.445 22.184 ( 2.529 -1.746 0.000) 3.073 22.261 ( 2.107 -1.801 0.000) 2.772 23.339 ( 4.994 -0.320 0.000) 5.004 23.657 ( -2.267 -0.221 0.000) 2.278 23.955 ( 2.248 0.859 0.000) 2.406 24.362 ( 0.796 1.694 0.000) 1.872 24.488 ( -0.896 -1.116 0.000) 1.431 24.647 ( 0.658 1.940 0.000) 2.048 26.349 ( -0.608 0.036 0.000) 0.609 26.401 ( -2.862 1.409 0.000) 3.190 ======================= Grid point 10 (6/50) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 31.191 -0.000 0.000) 31.191 0.966 ( 28.090 -0.000 0.000) 28.090 1.556 ( 22.779 -0.000 0.000) 22.779 2.357 ( 6.514 -0.000 0.000) 6.514 2.450 ( 12.026 -0.000 0.000) 12.026 2.542 ( 42.417 -0.000 0.000) 42.417 2.798 ( 65.027 -0.000 0.000) 65.027 2.830 ( 35.248 -0.000 0.000) 35.248 2.977 ( 15.977 -0.000 0.000) 15.977 3.023 ( 35.882 -0.000 0.000) 35.882 3.025 ( 4.029 -0.000 0.000) 4.029 3.327 ( 28.369 -0.000 0.000) 28.369 3.429 ( -0.922 0.000 0.000) 0.922 3.490 ( 3.846 -0.000 0.000) 3.846 3.551 ( -2.863 0.000 0.000) 2.863 3.658 ( 6.663 -0.000 0.000) 6.663 3.732 ( 16.223 -0.000 0.000) 16.223 3.747 ( 3.926 -0.000 0.000) 3.926 3.845 ( 0.961 -0.000 0.000) 0.961 4.119 ( 17.848 -0.000 0.000) 17.848 4.219 ( 7.129 -0.000 0.000) 7.129 4.430 ( 4.667 -0.000 0.000) 4.667 4.483 ( -2.439 0.000 0.000) 2.439 4.566 ( 7.652 -0.000 0.000) 7.652 4.617 ( 14.972 -0.000 0.000) 14.972 4.752 ( 9.142 -0.000 0.000) 9.142 5.242 ( -14.401 0.000 0.000) 14.401 5.461 ( -5.188 0.000 0.000) 5.188 5.687 ( 4.320 -0.000 0.000) 4.320 5.791 ( 7.166 -0.000 0.000) 7.166 5.793 ( 5.664 -0.000 0.000) 5.664 5.915 ( -5.639 0.000 0.000) 5.639 6.013 ( 1.784 -0.000 0.000) 1.784 6.061 ( 0.029 -0.000 0.000) 0.029 6.238 ( 4.177 -0.000 0.000) 4.177 6.573 ( 12.099 -0.000 0.000) 12.099 6.789 ( 6.561 -0.000 0.000) 6.561 6.798 ( -16.195 0.000 0.000) 16.195 6.874 ( -11.408 0.000 0.000) 11.408 6.886 ( 7.057 -0.000 0.000) 7.057 6.979 ( 5.138 -0.000 0.000) 5.138 7.097 ( -0.304 0.000 0.000) 0.304 7.259 ( 4.271 -0.000 0.000) 4.271 7.435 ( -4.403 0.000 0.000) 4.403 7.455 ( -0.610 0.000 0.000) 0.610 7.617 ( 2.389 -0.000 0.000) 2.389 7.643 ( -0.605 0.000 0.000) 0.605 7.728 ( -4.038 0.000 0.000) 4.038 7.770 ( 2.734 -0.000 0.000) 2.734 8.112 ( -4.992 0.000 0.000) 4.992 8.472 ( -7.600 0.000 0.000) 7.600 8.488 ( -2.896 0.000 0.000) 2.896 8.627 ( -3.011 0.000 0.000) 3.011 8.709 ( 0.008 -0.000 0.000) 0.008 8.720 ( -2.174 0.000 0.000) 2.174 8.744 ( 22.977 -0.000 0.000) 22.977 9.082 ( 3.449 -0.000 0.000) 3.449 9.113 ( 6.329 -0.000 0.000) 6.329 9.604 ( -4.641 0.000 0.000) 4.641 10.599 ( -4.465 0.000 0.000) 4.465 10.641 ( -6.642 0.000 0.000) 6.642 10.681 ( -7.994 0.000 0.000) 7.994 10.985 ( -0.284 0.000 0.000) 0.284 11.246 ( -0.097 0.000 0.000) 0.097 11.950 ( -21.118 0.000 0.000) 21.118 12.020 ( -19.608 0.000 0.000) 19.608 12.083 ( -22.527 0.000 0.000) 22.527 12.246 ( -21.953 0.000 0.000) 21.953 12.638 ( 0.531 -0.000 0.000) 0.531 12.874 ( -0.882 0.000 0.000) 0.882 13.199 ( 5.787 -0.000 0.000) 5.787 13.221 ( 3.929 -0.000 0.000) 3.929 13.238 ( 11.136 -0.000 0.000) 11.136 13.666 ( 4.137 -0.000 0.000) 4.137 13.921 ( 3.580 -0.000 0.000) 3.580 13.924 ( 6.647 -0.000 0.000) 6.647 14.159 ( 0.845 -0.000 0.000) 0.845 14.314 ( 2.192 -0.000 0.000) 2.192 14.672 ( -1.492 0.000 0.000) 1.492 14.730 ( -3.207 0.000 0.000) 3.207 15.295 ( 4.418 -0.000 0.000) 4.418 15.351 ( 6.829 -0.000 0.000) 6.829 15.682 ( -1.606 0.000 0.000) 1.606 15.696 ( -5.489 0.000 0.000) 5.489 15.834 ( -6.767 0.000 0.000) 6.767 16.069 ( -15.104 0.000 0.000) 15.104 16.805 ( 13.927 -0.000 0.000) 13.927 17.134 ( 11.171 -0.000 0.000) 11.171 17.212 ( 0.499 -0.000 0.000) 0.499 17.383 ( -3.160 0.000 0.000) 3.160 18.624 ( 4.041 -0.000 0.000) 4.041 18.645 ( 4.580 -0.000 0.000) 4.580 19.631 ( -5.633 0.000 0.000) 5.633 19.943 ( 12.522 -0.000 0.000) 12.522 19.948 ( -22.701 0.000 0.000) 22.701 20.056 ( 14.597 -0.000 0.000) 14.597 20.607 ( -5.401 0.000 0.000) 5.401 20.669 ( -0.496 0.000 0.000) 0.496 20.772 ( -5.835 0.000 0.000) 5.835 21.114 ( -1.819 0.000 0.000) 1.819 21.129 ( -3.536 0.000 0.000) 3.536 21.465 ( -2.560 0.000 0.000) 2.560 21.765 ( -5.844 0.000 0.000) 5.844 21.829 ( 12.434 -0.000 0.000) 12.434 21.841 ( 1.938 -0.000 0.000) 1.938 21.879 ( 6.442 -0.000 0.000) 6.442 22.781 ( 29.620 -0.000 0.000) 29.620 23.854 ( 6.184 -0.000 0.000) 6.184 23.869 ( -9.752 0.000 0.000) 9.752 24.444 ( 2.363 -0.000 0.000) 2.363 24.570 ( -8.885 0.000 0.000) 8.885 24.709 ( 3.166 -0.000 0.000) 3.166 26.461 ( -3.872 0.000 0.000) 3.872 26.777 ( -10.788 0.000 0.000) 10.788 ======================= Grid point 11 (7/50) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 25.176 -8.437 0.000) 26.552 1.562 ( 25.748 -20.816 0.000) 33.110 2.023 ( 25.491 -5.488 0.000) 26.075 2.345 ( 6.999 12.321 0.000) 14.170 2.650 ( 9.854 2.546 0.000) 10.178 2.755 ( 4.642 0.999 0.000) 4.749 3.124 ( 4.561 -0.540 0.000) 4.593 3.169 ( 6.779 -1.148 0.000) 6.875 3.309 ( 1.572 9.806 0.000) 9.932 3.457 ( 2.733 10.552 0.000) 10.900 3.477 ( -4.758 0.869 0.000) 4.837 3.593 ( 14.556 17.039 0.000) 22.410 3.615 ( 15.954 6.518 0.000) 17.234 3.624 ( 18.438 1.343 0.000) 18.487 3.830 ( 49.047 -0.597 0.000) 49.051 3.831 ( 57.281 -2.151 0.000) 57.321 4.103 ( 10.518 -14.087 0.000) 17.581 4.116 ( 27.806 -8.094 0.000) 28.960 4.145 ( 16.014 -14.639 0.000) 21.697 4.231 ( -4.873 0.295 0.000) 4.882 4.368 ( 7.529 -4.221 0.000) 8.631 4.464 ( 9.026 -4.289 0.000) 9.993 4.692 ( 15.148 -7.939 0.000) 17.102 4.714 ( 7.588 -1.754 0.000) 7.789 4.859 ( 12.105 1.142 0.000) 12.159 4.999 ( 14.064 -4.106 0.000) 14.651 5.051 ( -8.587 -3.646 0.000) 9.329 5.360 ( -3.101 5.437 0.000) 6.259 5.700 ( 2.100 1.975 0.000) 2.883 5.777 ( -3.234 4.936 0.000) 5.901 5.870 ( -0.569 -2.037 0.000) 2.115 5.920 ( 8.424 3.506 0.000) 9.125 6.052 ( 0.891 -1.353 0.000) 1.620 6.078 ( 0.388 -0.451 0.000) 0.595 6.289 ( 1.256 -0.164 0.000) 1.267 6.559 ( -12.308 -2.178 0.000) 12.500 6.664 ( -0.762 5.266 0.000) 5.321 6.802 ( -1.806 8.797 0.000) 8.980 6.813 ( 1.617 -6.363 0.000) 6.566 6.946 ( -5.191 -0.462 0.000) 5.211 6.990 ( 7.286 1.546 0.000) 7.448 7.105 ( -0.922 -1.166 0.000) 1.486 7.324 ( 3.931 -0.445 0.000) 3.956 7.346 ( -5.448 2.083 0.000) 5.832 7.547 ( -3.478 -6.519 0.000) 7.389 7.572 ( -8.861 1.263 0.000) 8.950 7.642 ( 10.305 3.868 0.000) 11.007 7.669 ( -5.301 -2.789 0.000) 5.990 7.690 ( -7.660 -0.320 0.000) 7.667 8.104 ( 3.764 1.368 0.000) 4.005 8.258 ( -11.846 2.557 0.000) 12.119 8.392 ( -2.309 3.373 0.000) 4.088 8.575 ( 1.603 4.468 0.000) 4.747 8.664 ( -1.163 3.517 0.000) 3.704 8.687 ( 2.286 5.005 0.000) 5.503 8.972 ( -7.093 -6.180 0.000) 9.408 9.082 ( 4.684 6.536 0.000) 8.041 9.318 ( 4.697 -8.834 0.000) 10.005 9.713 ( 13.750 -6.334 0.000) 15.139 10.499 ( -6.410 3.798 0.000) 7.450 10.517 ( -5.620 -0.437 0.000) 5.637 10.520 ( -7.816 1.449 0.000) 7.949 10.972 ( -0.079 0.934 0.000) 0.938 11.266 ( -0.205 -2.206 0.000) 2.216 11.619 ( -17.340 -0.043 0.000) 17.340 11.726 ( -15.865 -1.178 0.000) 15.909 11.741 ( -17.336 -0.655 0.000) 17.348 11.909 ( -18.530 -1.153 0.000) 18.566 12.646 ( 0.483 0.272 0.000) 0.554 12.842 ( -2.677 -1.053 0.000) 2.877 13.245 ( 2.221 0.983 0.000) 2.429 13.312 ( 2.514 -4.163 0.000) 4.864 13.405 ( 6.984 -2.206 0.000) 7.324 13.741 ( 4.317 -0.460 0.000) 4.341 13.973 ( 2.209 -0.707 0.000) 2.320 14.041 ( 5.226 -1.448 0.000) 5.423 14.193 ( 2.758 -0.262 0.000) 2.770 14.334 ( 1.410 1.795 0.000) 2.283 14.665 ( -1.013 -1.693 0.000) 1.972 14.700 ( -2.137 -1.644 0.000) 2.697 15.318 ( 0.048 3.816 0.000) 3.816 15.408 ( 1.565 4.837 0.000) 5.084 15.592 ( -3.753 2.779 0.000) 4.670 15.703 ( -4.437 4.904 0.000) 6.613 15.720 ( 1.753 -6.396 0.000) 6.632 15.913 ( -8.382 -9.867 0.000) 12.946 17.037 ( 9.962 -2.136 0.000) 10.188 17.224 ( 1.889 -0.068 0.000) 1.890 17.295 ( 2.621 2.985 0.000) 3.973 17.370 ( 5.507 -3.846 0.000) 6.717 18.711 ( 4.792 -1.690 0.000) 5.081 18.747 ( 6.398 -1.388 0.000) 6.547 19.480 ( -5.716 6.555 0.000) 8.697 19.605 ( -13.000 5.538 0.000) 14.131 20.168 ( 9.865 -3.402 0.000) 10.435 20.327 ( 13.437 -1.994 0.000) 13.584 20.561 ( -2.176 -2.289 0.000) 3.158 20.690 ( 0.945 -3.016 0.000) 3.160 20.763 ( 2.843 -2.148 0.000) 3.564 21.052 ( -3.618 1.803 0.000) 4.042 21.102 ( -0.184 -0.385 0.000) 0.427 21.345 ( -9.282 1.317 0.000) 9.375 21.652 ( -7.212 0.557 0.000) 7.234 21.842 ( -0.362 0.604 0.000) 0.704 22.007 ( 9.428 -0.218 0.000) 9.431 22.050 ( 8.910 -3.195 0.000) 9.466 23.192 ( 19.953 1.945 0.000) 20.048 23.727 ( -6.262 0.060 0.000) 6.263 23.946 ( 5.040 1.012 0.000) 5.140 24.440 ( -6.611 -1.575 0.000) 6.796 24.453 ( 0.052 1.817 0.000) 1.818 24.727 ( -0.504 0.763 0.000) 0.914 26.393 ( -3.687 0.182 0.000) 3.691 26.585 ( -9.635 1.748 0.000) 9.792 ======================= Grid point 12 (8/50) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 20.748 -12.841 0.000) 24.400 2.124 ( 12.772 -8.131 0.000) 15.141 2.416 ( 15.479 0.152 0.000) 15.480 2.468 ( 21.119 -1.277 0.000) 21.157 2.684 ( 1.446 8.798 0.000) 8.916 2.781 ( 0.793 1.267 0.000) 1.495 3.048 ( 1.812 14.264 0.000) 14.378 3.161 ( -2.861 13.006 0.000) 13.317 3.293 ( 1.385 -6.143 0.000) 6.297 3.347 ( -1.353 11.179 0.000) 11.261 3.446 ( 5.966 2.756 0.000) 6.572 3.495 ( 3.205 13.996 0.000) 14.358 3.807 ( 11.842 4.208 0.000) 12.568 3.875 ( 11.072 4.713 0.000) 12.034 3.994 ( -3.452 5.675 0.000) 6.642 4.355 ( 3.066 1.560 0.000) 3.440 4.395 ( 8.826 -6.020 0.000) 10.684 4.584 ( 13.290 -4.366 0.000) 13.989 4.622 ( 25.349 -2.858 0.000) 25.510 4.630 ( 31.780 0.587 0.000) 31.785 4.700 ( 13.719 -13.440 0.000) 19.205 4.717 ( 5.873 -5.858 0.000) 8.295 4.916 ( 10.528 -9.934 0.000) 14.475 4.987 ( 6.865 -3.801 0.000) 7.847 5.036 ( 10.179 -10.528 0.000) 14.644 5.068 ( 3.037 0.417 0.000) 3.065 5.225 ( -4.517 4.641 0.000) 6.476 5.267 ( 8.967 -6.786 0.000) 11.246 5.717 ( 1.918 -0.266 0.000) 1.936 5.758 ( 9.189 2.239 0.000) 9.458 5.866 ( -4.953 -4.408 0.000) 6.630 5.990 ( 4.330 2.824 0.000) 5.169 6.018 ( -5.954 3.504 0.000) 6.908 6.019 ( -4.129 0.893 0.000) 4.225 6.300 ( 2.475 2.938 0.000) 3.842 6.453 ( -6.225 -4.801 0.000) 7.862 6.553 ( -5.545 6.095 0.000) 8.240 6.619 ( -4.795 6.924 0.000) 8.422 6.763 ( -13.911 5.864 0.000) 15.096 6.911 ( 1.756 -6.040 0.000) 6.290 7.034 ( -6.116 3.635 0.000) 7.115 7.062 ( -4.560 2.848 0.000) 5.376 7.204 ( -1.714 -0.203 0.000) 1.726 7.362 ( -9.945 1.977 0.000) 10.140 7.414 ( -0.234 -6.656 0.000) 6.660 7.507 ( -1.294 -3.175 0.000) 3.428 7.585 ( -4.546 -0.714 0.000) 4.602 7.661 ( -2.060 -4.419 0.000) 4.875 7.826 ( 9.911 0.942 0.000) 9.956 8.061 ( -9.192 -0.424 0.000) 9.202 8.130 ( 2.017 3.440 0.000) 3.987 8.364 ( -0.235 -1.897 0.000) 1.911 8.562 ( 0.698 1.979 0.000) 2.098 8.609 ( -0.246 3.586 0.000) 3.594 8.661 ( 1.523 5.160 0.000) 5.380 8.858 ( -5.804 -0.783 0.000) 5.856 9.073 ( 3.950 6.914 0.000) 7.962 9.451 ( 1.168 -4.346 0.000) 4.500 10.057 ( 15.251 -5.994 0.000) 16.387 10.357 ( -10.481 -1.823 0.000) 10.638 10.416 ( -6.674 0.230 0.000) 6.678 10.418 ( 1.808 3.666 0.000) 4.088 10.963 ( 0.048 0.515 0.000) 0.517 11.283 ( 0.374 -0.497 0.000) 0.622 11.404 ( -7.693 -0.593 0.000) 7.715 11.543 ( -5.899 -0.076 0.000) 5.900 11.557 ( -6.492 -2.440 0.000) 6.935 11.682 ( -8.134 -0.136 0.000) 8.136 12.646 ( 0.234 0.591 0.000) 0.636 12.832 ( -1.428 -3.019 0.000) 3.340 13.268 ( 1.252 -0.050 0.000) 1.253 13.400 ( 1.262 -4.883 0.000) 5.043 13.519 ( 2.269 -3.284 0.000) 3.992 13.807 ( 1.807 -1.280 0.000) 2.214 13.995 ( -1.616 -1.702 0.000) 2.347 14.129 ( 3.046 -0.799 0.000) 3.149 14.246 ( 2.921 -0.121 0.000) 2.923 14.322 ( 0.404 2.031 0.000) 2.070 14.675 ( 0.049 -1.154 0.000) 1.155 14.695 ( -0.438 -1.015 0.000) 1.105 15.233 ( -2.475 4.522 0.000) 5.156 15.312 ( -3.306 5.108 0.000) 6.085 15.502 ( -2.087 3.289 0.000) 3.895 15.577 ( -2.784 4.615 0.000) 5.390 15.878 ( 4.832 -8.091 0.000) 9.424 16.014 ( 1.280 -12.064 0.000) 12.132 17.116 ( 2.309 4.147 0.000) 4.746 17.247 ( 1.038 5.986 0.000) 6.075 17.328 ( 5.690 -3.973 0.000) 6.940 17.543 ( 6.301 -3.811 0.000) 7.363 18.818 ( 4.221 -3.084 0.000) 5.227 18.890 ( 7.667 -2.418 0.000) 8.040 19.298 ( -5.308 7.638 0.000) 9.301 19.357 ( -8.316 6.387 0.000) 10.486 20.348 ( 6.983 -2.924 0.000) 7.571 20.487 ( 4.885 2.010 0.000) 5.282 20.580 ( 1.577 -1.172 0.000) 1.965 20.793 ( 3.363 -5.983 0.000) 6.863 20.884 ( 7.171 -1.832 0.000) 7.401 21.004 ( 2.158 1.734 0.000) 2.768 21.109 ( -0.219 -0.441 0.000) 0.492 21.161 ( -8.760 1.748 0.000) 8.933 21.510 ( -7.485 1.796 0.000) 7.697 21.829 ( -0.769 -0.152 0.000) 0.783 22.152 ( 6.667 -0.631 0.000) 6.697 22.214 ( 6.432 -1.890 0.000) 6.704 23.403 ( 10.278 4.757 0.000) 11.325 23.665 ( -0.867 0.272 0.000) 0.909 23.986 ( 1.182 1.341 0.000) 1.787 24.390 ( -4.578 -4.995 0.000) 6.775 24.406 ( -2.880 1.577 0.000) 3.284 24.684 ( -3.228 0.512 0.000) 3.268 26.345 ( -1.797 -0.254 0.000) 1.815 26.434 ( -5.926 1.078 0.000) 6.023 ======================= Grid point 13 (9/50) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 8.950 3.856 0.000) 9.746 2.410 ( -2.434 26.083 0.000) 26.197 2.443 ( 13.345 -9.977 0.000) 16.662 2.689 ( 0.308 -5.379 0.000) 5.388 2.736 ( 5.086 4.233 0.000) 6.617 2.760 ( -2.386 0.340 0.000) 2.410 2.850 ( -2.477 17.510 0.000) 17.684 3.069 ( 6.777 -7.420 0.000) 10.049 3.172 ( 0.652 15.129 0.000) 15.143 3.344 ( -0.512 -1.800 0.000) 1.872 3.404 ( 1.864 6.263 0.000) 6.535 3.552 ( 8.343 1.934 0.000) 8.565 3.827 ( 3.966 14.171 0.000) 14.715 3.921 ( 4.535 8.238 0.000) 9.404 3.938 ( 2.047 2.560 0.000) 3.278 4.322 ( -4.940 0.370 0.000) 4.954 4.502 ( -4.991 -0.013 0.000) 4.991 4.611 ( -13.205 1.301 0.000) 13.269 4.693 ( 0.939 2.296 0.000) 2.481 4.802 ( -1.707 7.235 0.000) 7.434 4.934 ( -6.024 -2.409 0.000) 6.488 4.962 ( 0.083 -3.055 0.000) 3.057 5.017 ( 2.853 7.185 0.000) 7.731 5.060 ( -1.477 -0.125 0.000) 1.482 5.166 ( 6.892 -4.942 0.000) 8.481 5.239 ( 5.093 -1.325 0.000) 5.262 5.251 ( -1.360 -10.493 0.000) 10.581 5.470 ( 3.145 -10.341 0.000) 10.809 5.720 ( -6.882 -5.441 0.000) 8.773 5.773 ( -8.848 8.390 0.000) 12.193 5.920 ( -6.106 7.605 0.000) 9.753 5.934 ( -3.557 -3.446 0.000) 4.952 5.986 ( 6.515 0.003 0.000) 6.515 6.001 ( 8.012 -2.953 0.000) 8.539 6.180 ( -3.929 13.696 0.000) 14.248 6.349 ( -7.747 3.236 0.000) 8.395 6.398 ( -6.038 -4.050 0.000) 7.270 6.499 ( -8.934 -5.400 0.000) 10.439 6.549 ( 0.713 -3.348 0.000) 3.423 6.850 ( -11.852 -2.333 0.000) 12.080 6.916 ( 0.443 2.398 0.000) 2.439 7.060 ( 4.567 -8.958 0.000) 10.055 7.191 ( -4.972 4.388 0.000) 6.632 7.317 ( 7.681 -1.192 0.000) 7.773 7.442 ( -4.303 -4.952 0.000) 6.560 7.518 ( -2.416 2.366 0.000) 3.381 7.607 ( 3.638 -5.331 0.000) 6.454 7.746 ( 2.972 -6.919 0.000) 7.530 7.859 ( -0.776 6.345 0.000) 6.392 8.016 ( 0.359 -4.098 0.000) 4.114 8.079 ( -0.827 5.709 0.000) 5.769 8.410 ( -0.670 -5.716 0.000) 5.756 8.494 ( -6.531 1.049 0.000) 6.615 8.543 ( -2.517 4.226 0.000) 4.919 8.624 ( 0.820 2.145 0.000) 2.296 8.884 ( 8.199 1.254 0.000) 8.294 9.042 ( 2.307 6.435 0.000) 6.836 9.486 ( -0.686 -2.104 0.000) 2.213 10.209 ( -10.735 -3.891 0.000) 11.418 10.274 ( -6.320 2.153 0.000) 6.676 10.353 ( 11.215 -2.707 0.000) 11.537 10.473 ( 7.587 1.976 0.000) 7.840 10.959 ( -0.015 0.274 0.000) 0.274 11.313 ( 3.594 0.801 0.000) 3.682 11.398 ( 5.859 -1.023 0.000) 5.947 11.555 ( 8.015 0.661 0.000) 8.043 11.557 ( 3.059 -2.351 0.000) 3.858 11.690 ( 8.869 -0.187 0.000) 8.871 12.642 ( 0.057 0.466 0.000) 0.469 12.859 ( -0.358 -3.282 0.000) 3.301 13.285 ( 0.549 -0.029 0.000) 0.550 13.472 ( 0.384 -3.934 0.000) 3.953 13.554 ( -2.699 -2.639 0.000) 3.775 13.821 ( -2.180 -1.149 0.000) 2.464 13.964 ( -4.674 -2.401 0.000) 5.255 14.136 ( -2.582 0.640 0.000) 2.660 14.282 ( 1.635 0.887 0.000) 1.860 14.318 ( 1.234 0.723 0.000) 1.430 14.692 ( 0.773 -0.370 0.000) 0.857 14.705 ( 0.599 -0.317 0.000) 0.677 15.160 ( -0.836 1.873 0.000) 2.052 15.221 ( -1.835 1.669 0.000) 2.480 15.454 ( 1.077 2.692 0.000) 2.899 15.511 ( 0.679 2.779 0.000) 2.861 16.042 ( 4.326 -4.723 0.000) 6.405 16.190 ( 3.561 -8.355 0.000) 9.082 17.083 ( 1.374 4.960 0.000) 5.147 17.198 ( 2.697 6.661 0.000) 7.186 17.436 ( 2.693 -0.879 0.000) 2.833 17.649 ( 2.919 -0.396 0.000) 2.945 18.925 ( 2.590 -4.767 0.000) 5.425 19.056 ( 7.301 -2.777 0.000) 7.811 19.117 ( -4.775 7.599 0.000) 8.974 19.159 ( -5.142 6.333 0.000) 8.158 20.456 ( 2.237 0.149 0.000) 2.242 20.482 ( -1.067 2.482 0.000) 2.701 20.638 ( 5.488 1.077 0.000) 5.593 20.882 ( 1.518 -3.226 0.000) 3.566 20.941 ( -3.776 0.051 0.000) 3.776 21.069 ( 3.838 2.635 0.000) 4.655 21.098 ( 5.832 -0.129 0.000) 5.833 21.130 ( 2.103 0.033 0.000) 2.103 21.412 ( 0.037 -0.319 0.000) 0.321 21.819 ( -1.202 -0.671 0.000) 1.377 22.228 ( 2.690 1.691 0.000) 3.177 22.299 ( 2.894 1.179 0.000) 3.125 23.423 ( 0.527 6.086 0.000) 6.109 23.687 ( 4.547 2.083 0.000) 5.001 23.951 ( -3.716 0.549 0.000) 3.757 24.330 ( -5.125 -0.800 0.000) 5.187 24.399 ( -3.437 -7.039 0.000) 7.834 24.620 ( -4.441 -1.004 0.000) 4.553 26.341 ( 0.032 -0.637 0.000) 0.637 26.370 ( -0.887 -0.952 0.000) 1.301 ======================= Grid point 14 (10/50) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -6.834 22.063 0.000) 23.097 2.241 ( -19.750 22.802 0.000) 30.167 2.385 ( 6.368 -0.213 0.000) 6.371 2.650 ( 4.367 4.280 0.000) 6.115 2.670 ( -5.157 -1.040 0.000) 5.261 2.696 ( -4.310 0.125 0.000) 4.312 2.910 ( 4.964 11.487 0.000) 12.514 3.125 ( 6.850 -5.842 0.000) 9.003 3.192 ( -1.404 7.041 0.000) 7.180 3.343 ( -0.568 0.467 0.000) 0.735 3.380 ( 2.816 5.080 0.000) 5.809 3.516 ( -3.045 9.954 0.000) 10.409 3.739 ( 1.909 8.728 0.000) 8.935 3.795 ( -11.107 8.550 0.000) 14.016 3.900 ( -4.575 8.137 0.000) 9.335 4.079 ( -26.792 3.305 0.000) 26.995 4.189 ( -27.051 4.564 0.000) 27.433 4.261 ( -15.709 -0.486 0.000) 15.717 4.580 ( -12.612 5.901 0.000) 13.924 4.625 ( -3.788 8.269 0.000) 9.096 4.702 ( -12.267 1.230 0.000) 12.328 4.703 ( -25.513 1.315 0.000) 25.547 4.925 ( -3.255 8.349 0.000) 8.961 4.946 ( -7.089 8.024 0.000) 10.707 5.292 ( 2.734 3.777 0.000) 4.663 5.293 ( -5.161 -6.938 0.000) 8.647 5.323 ( 6.684 -1.585 0.000) 6.869 5.461 ( -6.703 8.999 0.000) 11.220 5.512 ( -11.658 10.218 0.000) 15.503 5.604 ( -8.758 3.150 0.000) 9.307 5.775 ( 0.596 -12.001 0.000) 12.016 5.833 ( -8.873 -5.094 0.000) 10.232 5.925 ( -4.418 8.494 0.000) 9.574 6.083 ( 4.887 -1.966 0.000) 5.268 6.223 ( 7.489 2.823 0.000) 8.004 6.357 ( 1.286 -5.103 0.000) 5.263 6.363 ( -3.890 -4.951 0.000) 6.297 6.512 ( -1.851 -8.274 0.000) 8.479 6.680 ( 5.072 -7.083 0.000) 8.712 6.802 ( -3.582 -9.342 0.000) 10.005 7.023 ( 8.305 -5.099 0.000) 9.746 7.049 ( -6.003 3.799 0.000) 7.105 7.265 ( 4.332 -10.049 0.000) 10.943 7.394 ( -5.623 -1.058 0.000) 5.722 7.446 ( 1.615 3.283 0.000) 3.658 7.476 ( 5.071 -1.848 0.000) 5.397 7.668 ( -2.389 2.409 0.000) 3.393 7.764 ( -0.155 3.004 0.000) 3.008 7.871 ( 4.157 1.320 0.000) 4.361 8.007 ( -1.176 -1.531 0.000) 1.931 8.043 ( -5.226 -3.608 0.000) 6.350 8.411 ( -4.678 6.272 0.000) 7.825 8.416 ( -0.970 -2.367 0.000) 2.558 8.465 ( -2.543 -6.487 0.000) 6.967 8.622 ( 2.127 2.420 0.000) 3.222 9.002 ( 1.337 4.253 0.000) 4.458 9.059 ( 12.466 -0.410 0.000) 12.473 9.504 ( 0.619 -0.990 0.000) 1.168 10.103 ( -7.915 4.888 0.000) 9.303 10.110 ( -8.721 -7.038 0.000) 11.207 10.549 ( 9.294 0.205 0.000) 9.297 10.587 ( 8.139 1.728 0.000) 8.320 10.954 ( -0.288 0.230 0.000) 0.369 11.363 ( 3.638 1.406 0.000) 3.901 11.611 ( 17.118 -0.964 0.000) 17.145 11.748 ( 16.615 -1.356 0.000) 16.670 11.780 ( 18.726 0.810 0.000) 18.744 11.940 ( 19.235 -0.250 0.000) 19.237 12.637 ( -0.071 0.276 0.000) 0.285 12.891 ( 0.186 -1.883 0.000) 1.893 13.282 ( -0.387 0.871 0.000) 0.953 13.491 ( -1.842 -0.133 0.000) 1.847 13.491 ( -7.506 -1.050 0.000) 7.579 13.758 ( -6.487 -0.440 0.000) 6.502 13.917 ( -6.208 -5.384 0.000) 8.217 14.045 ( -6.332 0.964 0.000) 6.405 14.271 ( -0.371 2.585 0.000) 2.612 14.320 ( 0.040 1.541 0.000) 1.541 14.718 ( 1.911 -0.645 0.000) 2.017 14.732 ( 2.008 -0.973 0.000) 2.231 15.159 ( 0.423 -1.486 0.000) 1.545 15.206 ( -0.793 -1.939 0.000) 2.095 15.477 ( 5.258 2.108 0.000) 5.665 15.534 ( 5.090 1.389 0.000) 5.276 16.117 ( 2.348 2.282 0.000) 3.275 16.320 ( 3.964 -2.270 0.000) 4.568 17.058 ( 1.588 2.597 0.000) 3.044 17.182 ( 4.015 4.742 0.000) 6.213 17.425 ( -1.620 4.452 0.000) 4.738 17.646 ( -0.639 4.017 0.000) 4.067 18.946 ( -4.146 6.581 0.000) 7.778 18.973 ( -4.625 6.880 0.000) 8.290 19.028 ( 0.396 -6.611 0.000) 6.623 19.255 ( 8.262 -4.656 0.000) 9.483 20.390 ( -5.879 3.870 0.000) 7.039 20.402 ( -5.221 1.916 0.000) 5.562 20.741 ( 9.598 3.148 0.000) 10.101 20.918 ( 3.196 1.767 0.000) 3.652 20.959 ( 3.936 -1.015 0.000) 4.065 21.019 ( 1.026 6.546 0.000) 6.626 21.127 ( 0.284 0.044 0.000) 0.288 21.267 ( 9.585 -0.475 0.000) 9.597 21.528 ( 7.369 -3.743 0.000) 8.266 21.801 ( -2.160 -0.801 0.000) 2.304 22.187 ( -2.545 5.517 0.000) 6.076 22.274 ( -1.455 5.046 0.000) 5.251 23.276 ( -8.075 7.471 0.000) 11.001 23.739 ( 4.456 2.257 0.000) 4.995 23.861 ( -7.090 -1.263 0.000) 7.201 24.265 ( -6.100 -4.183 0.000) 7.397 24.452 ( -0.688 -7.246 0.000) 7.278 24.570 ( -3.807 -2.468 0.000) 4.536 26.358 ( 1.269 -1.234 0.000) 1.770 26.427 ( 3.606 -3.216 0.000) 4.832 ======================= Grid point 15 (11/50) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -22.050 22.796 0.000) 31.715 1.700 ( -6.528 7.874 0.000) 10.229 2.433 ( -2.533 4.137 0.000) 4.851 2.469 ( -2.414 25.115 0.000) 25.231 2.549 ( -13.606 2.971 0.000) 13.927 2.603 ( -3.781 8.860 0.000) 9.633 2.777 ( -21.784 7.956 0.000) 23.191 2.892 ( -0.207 -0.105 0.000) 0.232 3.124 ( -44.723 6.034 0.000) 45.128 3.210 ( -29.093 19.318 0.000) 34.922 3.287 ( -5.113 3.403 0.000) 6.142 3.318 ( -3.595 0.717 0.000) 3.666 3.392 ( 5.300 -1.395 0.000) 5.480 3.487 ( -25.147 8.144 0.000) 26.432 3.493 ( -3.645 4.836 0.000) 6.056 3.537 ( -18.868 10.850 0.000) 21.765 3.761 ( -14.349 7.250 0.000) 16.076 4.190 ( -0.004 -0.871 0.000) 0.871 4.282 ( -14.526 3.523 0.000) 14.947 4.364 ( -7.865 -0.311 0.000) 7.871 4.410 ( -5.701 11.753 0.000) 13.063 4.545 ( -4.662 9.251 0.000) 10.359 4.705 ( -9.239 7.756 0.000) 12.063 4.742 ( -7.365 5.887 0.000) 9.428 5.123 ( -8.259 13.712 0.000) 16.007 5.157 ( -7.612 12.752 0.000) 14.851 5.280 ( 4.125 2.480 0.000) 4.813 5.417 ( 5.599 5.052 0.000) 7.541 5.446 ( -1.642 -9.781 0.000) 9.918 5.506 ( -3.487 -4.463 0.000) 5.664 5.714 ( -7.483 4.976 0.000) 8.987 5.773 ( -3.088 -5.890 0.000) 6.651 5.984 ( 3.378 -8.524 0.000) 9.169 6.148 ( -0.855 0.796 0.000) 1.168 6.237 ( -2.104 0.230 0.000) 2.116 6.432 ( 2.516 -4.539 0.000) 5.190 6.452 ( 2.552 -6.253 0.000) 6.754 6.584 ( -3.941 -9.333 0.000) 10.131 6.826 ( 2.245 -4.883 0.000) 5.374 6.873 ( -2.438 -7.651 0.000) 8.030 6.903 ( -5.144 2.953 0.000) 5.931 7.231 ( 2.892 -8.570 0.000) 9.045 7.311 ( 0.382 3.325 0.000) 3.347 7.369 ( -5.772 -7.556 0.000) 9.508 7.469 ( 5.740 0.818 0.000) 5.798 7.530 ( -3.680 6.843 0.000) 7.770 7.591 ( 3.058 -3.043 0.000) 4.314 7.704 ( -4.040 4.335 0.000) 5.926 7.819 ( -0.992 5.786 0.000) 5.870 7.967 ( -7.679 -4.439 0.000) 8.869 8.103 ( 2.787 -5.578 0.000) 6.236 8.242 ( -4.788 6.818 0.000) 8.331 8.498 ( 1.701 -6.141 0.000) 6.372 8.501 ( -2.255 -6.476 0.000) 6.858 8.646 ( 4.656 2.073 0.000) 5.096 8.994 ( 1.809 1.189 0.000) 2.165 9.287 ( 12.638 -0.781 0.000) 12.662 9.531 ( 3.153 1.338 0.000) 3.425 9.884 ( -8.046 8.779 0.000) 11.908 10.090 ( -7.484 -10.645 0.000) 13.012 10.664 ( 6.252 1.978 0.000) 6.557 10.694 ( 6.815 1.622 0.000) 7.005 10.943 ( -0.654 0.007 0.000) 0.655 11.401 ( 3.305 1.793 0.000) 3.759 11.958 ( 22.228 -0.205 0.000) 22.229 12.106 ( 23.563 -0.133 0.000) 23.564 12.117 ( 21.578 1.323 0.000) 21.619 12.299 ( 22.299 0.174 0.000) 22.300 12.634 ( 0.118 0.025 0.000) 0.121 12.909 ( 0.187 -0.107 0.000) 0.215 13.247 ( -1.947 1.957 0.000) 2.760 13.333 ( -11.438 0.492 0.000) 11.449 13.401 ( -6.383 3.229 0.000) 7.153 13.620 ( -9.994 -0.254 0.000) 9.998 13.858 ( -10.598 -4.628 0.000) 11.564 13.954 ( -2.775 -2.059 0.000) 3.455 14.215 ( -1.454 3.274 0.000) 3.582 14.282 ( -1.326 2.244 0.000) 2.607 14.779 ( 3.884 -1.405 0.000) 4.130 14.805 ( 4.286 -2.415 0.000) 4.920 15.187 ( -0.925 -3.027 0.000) 3.165 15.218 ( -2.255 -3.330 0.000) 4.022 15.571 ( 8.584 2.160 0.000) 8.851 15.642 ( 8.393 0.152 0.000) 8.394 16.063 ( -0.240 8.819 0.000) 8.823 16.388 ( 5.090 2.827 0.000) 5.822 17.067 ( 1.128 0.808 0.000) 1.387 17.212 ( 3.602 1.262 0.000) 3.816 17.276 ( -5.480 8.793 0.000) 10.361 17.534 ( -3.362 8.099 0.000) 8.769 18.801 ( -3.226 6.382 0.000) 7.151 18.822 ( -3.223 6.681 0.000) 7.418 19.119 ( -1.907 -9.786 0.000) 9.970 19.464 ( 7.431 -7.421 0.000) 10.502 20.222 ( -6.505 4.830 0.000) 8.103 20.272 ( -5.982 2.285 0.000) 6.403 20.874 ( 12.604 5.588 0.000) 13.787 20.964 ( 6.100 7.694 0.000) 9.819 20.974 ( 7.602 5.150 0.000) 9.183 21.080 ( 6.897 -0.034 0.000) 6.898 21.133 ( 1.112 0.305 0.000) 1.154 21.414 ( 6.288 -0.524 0.000) 6.310 21.677 ( 3.817 -3.490 0.000) 5.171 21.761 ( -3.907 -0.960 0.000) 4.023 22.006 ( -8.407 8.459 0.000) 11.926 22.133 ( -5.292 7.672 0.000) 9.320 22.966 ( -16.115 9.489 0.000) 18.702 23.763 ( -7.154 -2.843 0.000) 7.698 23.773 ( 0.816 -0.185 0.000) 0.837 24.234 ( -5.572 -6.782 0.000) 8.777 24.553 ( 2.508 -1.380 0.000) 2.862 24.558 ( -1.226 -7.456 0.000) 7.556 26.412 ( 2.486 -1.927 0.000) 3.145 26.558 ( 5.264 -5.594 0.000) 7.681 ======================= Grid point 16 (12/50) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -18.716 22.295 0.000) 29.110 1.598 ( -27.019 1.883 0.000) 27.084 1.703 ( -30.917 3.760 0.000) 31.145 1.932 ( -33.175 20.312 0.000) 38.899 2.146 ( -7.738 44.313 0.000) 44.984 2.191 ( -20.363 28.063 0.000) 34.672 2.317 ( -10.570 7.047 0.000) 12.704 2.515 ( -11.028 -0.622 0.000) 11.046 2.845 ( -16.798 14.874 0.000) 22.437 2.881 ( -20.756 13.512 0.000) 24.766 2.920 ( 1.934 -4.922 0.000) 5.288 3.044 ( -5.398 -8.048 0.000) 9.690 3.127 ( -9.404 0.699 0.000) 9.430 3.379 ( 0.117 -1.178 0.000) 1.184 3.490 ( 1.375 0.810 0.000) 1.596 3.533 ( -3.278 7.913 0.000) 8.565 3.562 ( 5.208 -7.240 0.000) 8.919 3.988 ( -8.346 8.298 0.000) 11.769 4.192 ( -3.135 11.260 0.000) 11.688 4.223 ( -2.671 10.026 0.000) 10.375 4.299 ( 2.593 -5.904 0.000) 6.448 4.302 ( -6.969 11.684 0.000) 13.604 4.461 ( -7.978 6.638 0.000) 10.379 4.528 ( -7.481 6.651 0.000) 10.010 4.780 ( -7.400 15.791 0.000) 17.439 4.959 ( -1.255 10.032 0.000) 10.110 5.358 ( -6.948 -2.425 0.000) 7.359 5.409 ( 5.675 -4.156 0.000) 7.034 5.524 ( -5.038 2.916 0.000) 5.821 5.571 ( -1.338 -8.161 0.000) 8.270 5.594 ( 10.486 0.213 0.000) 10.488 5.897 ( 4.610 -8.229 0.000) 9.432 6.050 ( -8.507 0.650 0.000) 8.532 6.108 ( 3.135 -3.286 0.000) 4.542 6.182 ( -0.835 4.433 0.000) 4.511 6.440 ( -4.047 -0.215 0.000) 4.053 6.522 ( -7.329 -6.754 0.000) 9.967 6.658 ( 2.946 -7.498 0.000) 8.056 6.827 ( -1.873 1.861 0.000) 2.641 6.861 ( -3.804 -4.157 0.000) 5.635 6.894 ( -5.954 -6.739 0.000) 8.992 7.260 ( 0.016 -1.376 0.000) 1.376 7.373 ( -3.770 -7.259 0.000) 8.180 7.402 ( 5.886 5.264 0.000) 7.896 7.426 ( 0.805 0.695 0.000) 1.064 7.507 ( -0.245 -0.106 0.000) 0.267 7.570 ( -4.337 2.486 0.000) 4.999 7.639 ( -0.922 -0.588 0.000) 1.094 7.756 ( 0.815 3.273 0.000) 3.373 7.889 ( -8.218 -3.686 0.000) 9.007 8.047 ( -4.253 8.180 0.000) 9.220 8.230 ( 1.963 -4.163 0.000) 4.602 8.565 ( -0.751 -7.951 0.000) 7.986 8.581 ( -0.247 -5.685 0.000) 5.691 8.725 ( 5.023 -0.027 0.000) 5.023 9.019 ( 1.305 -0.221 0.000) 1.323 9.404 ( 4.339 14.511 0.000) 15.146 9.602 ( 9.674 2.991 0.000) 10.126 9.673 ( -2.756 1.976 0.000) 3.391 10.080 ( -11.692 -11.440 0.000) 16.358 10.714 ( 3.143 2.597 0.000) 4.077 10.767 ( 4.110 1.800 0.000) 4.487 10.938 ( -0.544 -1.076 0.000) 1.205 11.429 ( 2.646 1.825 0.000) 3.215 12.329 ( 21.570 0.925 0.000) 21.590 12.422 ( 15.566 2.118 0.000) 15.709 12.507 ( 23.765 0.927 0.000) 23.783 12.646 ( 18.398 0.801 0.000) 18.416 12.646 ( 1.867 0.293 0.000) 1.890 12.874 ( -4.836 1.720 0.000) 5.133 13.116 ( -11.208 2.298 0.000) 11.441 13.145 ( -8.192 2.711 0.000) 8.629 13.222 ( -8.475 3.596 0.000) 9.207 13.468 ( -8.962 -3.729 0.000) 9.707 13.729 ( -8.394 -3.452 0.000) 9.076 13.961 ( -0.950 -2.094 0.000) 2.300 14.157 ( -1.028 2.220 0.000) 2.447 14.237 ( -1.203 0.867 0.000) 1.483 14.872 ( 4.982 -0.363 0.000) 4.996 14.933 ( 6.309 -3.666 0.000) 7.297 15.192 ( -2.502 -2.280 0.000) 3.385 15.206 ( -3.450 -2.577 0.000) 4.306 15.684 ( 8.269 4.145 0.000) 9.250 15.783 ( 7.210 -0.221 0.000) 7.213 15.917 ( -3.019 8.197 0.000) 8.735 16.440 ( 5.748 3.049 0.000) 6.506 16.955 ( -5.335 13.909 0.000) 14.897 17.154 ( -0.793 -1.265 0.000) 1.493 17.232 ( -1.234 3.071 0.000) 3.309 17.379 ( -1.036 5.545 0.000) 5.641 18.683 ( -1.848 5.592 0.000) 5.890 18.702 ( -1.579 5.933 0.000) 6.140 19.213 ( -2.648 -12.208 0.000) 12.492 19.657 ( 2.281 -8.270 0.000) 8.578 20.074 ( -3.172 5.650 0.000) 6.480 20.213 ( 1.598 -1.707 0.000) 2.338 20.983 ( 7.117 9.505 0.000) 11.875 21.029 ( 14.181 8.220 0.000) 16.391 21.050 ( 12.252 4.612 0.000) 13.091 21.185 ( 6.142 0.702 0.000) 6.182 21.197 ( 7.303 0.801 0.000) 7.347 21.442 ( -3.897 2.044 0.000) 4.400 21.636 ( -11.772 -1.261 0.000) 11.840 21.722 ( -11.669 8.055 0.000) 14.179 21.758 ( -1.022 -2.418 0.000) 2.625 21.951 ( -3.908 6.396 0.000) 7.495 22.523 ( -17.910 13.723 0.000) 22.563 23.701 ( -4.335 -3.069 0.000) 5.311 23.763 ( -4.242 -2.764 0.000) 5.063 24.247 ( -3.339 -7.354 0.000) 8.076 24.575 ( 1.232 -0.760 0.000) 1.447 24.694 ( 3.760 -6.115 0.000) 7.178 26.477 ( 1.945 -2.034 0.000) 2.815 26.730 ( 4.509 -8.068 0.000) 9.243 ======================= Grid point 17 (13/50) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -0.000 21.847 0.000) 21.847 0.688 ( -0.000 27.394 0.000) 27.394 1.263 ( -0.000 16.482 0.000) 16.482 1.413 ( -0.000 55.623 0.000) 55.623 1.663 ( -0.000 34.170 0.000) 34.170 1.888 ( 0.000 -25.353 0.000) 25.353 2.124 ( -0.000 7.804 0.000) 7.804 2.363 ( -0.000 3.853 0.000) 3.853 2.445 ( -0.000 16.906 0.000) 16.906 2.569 ( -0.000 8.467 0.000) 8.467 2.958 ( -0.000 2.404 0.000) 2.404 3.135 ( 0.000 -12.631 0.000) 12.631 3.160 ( 0.000 -13.418 0.000) 13.418 3.367 ( -0.000 13.046 0.000) 13.046 3.414 ( 0.000 -3.162 0.000) 3.162 3.534 ( 0.000 -2.733 0.000) 2.733 3.714 ( 0.000 -6.490 0.000) 6.490 3.804 ( -0.000 7.265 0.000) 7.265 4.030 ( -0.000 9.521 0.000) 9.521 4.045 ( -0.000 14.806 0.000) 14.806 4.076 ( -0.000 10.630 0.000) 10.630 4.312 ( -0.000 5.116 0.000) 5.116 4.380 ( -0.000 5.404 0.000) 5.404 4.435 ( 0.000 -10.781 0.000) 10.781 4.527 ( -0.000 13.075 0.000) 13.075 4.844 ( -0.000 7.838 0.000) 7.838 5.274 ( -0.000 0.306 0.000) 0.306 5.407 ( -0.000 3.806 0.000) 3.806 5.567 ( 0.000 -8.773 0.000) 8.773 5.680 ( 0.000 -7.789 0.000) 7.789 5.727 ( -0.000 0.177 0.000) 0.177 5.930 ( -0.000 1.911 0.000) 1.911 6.049 ( 0.000 -7.311 0.000) 7.311 6.089 ( -0.000 5.875 0.000) 5.875 6.154 ( -0.000 1.967 0.000) 1.967 6.423 ( 0.000 -0.905 0.000) 0.905 6.503 ( 0.000 -6.127 0.000) 6.127 6.726 ( -0.000 0.838 0.000) 0.838 6.748 ( -0.000 1.776 0.000) 1.776 6.871 ( 0.000 -1.905 0.000) 1.905 6.923 ( 0.000 -10.991 0.000) 10.991 7.256 ( -0.000 3.510 0.000) 3.510 7.338 ( -0.000 4.783 0.000) 4.783 7.420 ( 0.000 -5.772 0.000) 5.772 7.504 ( -0.000 4.098 0.000) 4.098 7.508 ( -0.000 0.050 0.000) 0.050 7.559 ( 0.000 -10.824 0.000) 10.824 7.590 ( -0.000 2.208 0.000) 2.208 7.747 ( -0.000 2.067 0.000) 2.067 7.811 ( 0.000 -0.711 0.000) 0.711 7.894 ( -0.000 8.167 0.000) 8.167 8.294 ( 0.000 -3.165 0.000) 3.165 8.642 ( 0.000 -4.351 0.000) 4.351 8.660 ( 0.000 -7.388 0.000) 7.388 8.777 ( 0.000 -0.654 0.000) 0.654 9.033 ( 0.000 -0.259 0.000) 0.259 9.104 ( -0.000 29.579 0.000) 29.579 9.715 ( 0.000 -3.856 0.000) 3.856 9.781 ( 0.000 -1.444 0.000) 1.444 9.967 ( 0.000 -3.862 0.000) 3.862 10.709 ( -0.000 2.203 0.000) 2.203 10.779 ( -0.000 1.767 0.000) 1.767 10.955 ( 0.000 -1.961 0.000) 1.961 11.437 ( -0.000 1.263 0.000) 1.263 12.537 ( -0.000 0.786 0.000) 0.786 12.613 ( -0.000 0.010 0.000) 0.010 12.623 ( -0.000 5.604 0.000) 5.604 12.743 ( 0.000 -0.740 0.000) 0.740 12.785 ( -0.000 0.416 0.000) 0.416 12.888 ( 0.000 -0.342 0.000) 0.342 12.888 ( -0.000 3.850 0.000) 3.850 12.945 ( -0.000 5.644 0.000) 5.644 13.083 ( -0.000 3.706 0.000) 3.706 13.473 ( 0.000 -8.118 0.000) 8.118 13.706 ( 0.000 -4.096 0.000) 4.096 13.959 ( -0.000 1.152 0.000) 1.152 14.135 ( 0.000 -0.226 0.000) 0.226 14.231 ( 0.000 -1.520 0.000) 1.520 14.894 ( -0.000 6.515 0.000) 6.515 15.080 ( 0.000 -5.739 0.000) 5.739 15.180 ( 0.000 -1.049 0.000) 1.049 15.183 ( 0.000 -1.045 0.000) 1.045 15.693 ( -0.000 3.562 0.000) 3.562 15.840 ( -0.000 0.851 0.000) 0.851 15.844 ( -0.000 0.799 0.000) 0.799 16.484 ( -0.000 0.453 0.000) 0.453 16.701 ( -0.000 15.612 0.000) 15.612 17.102 ( -0.000 9.457 0.000) 9.457 17.177 ( 0.000 -2.139 0.000) 2.139 17.391 ( 0.000 -3.687 0.000) 3.687 18.605 ( -0.000 4.220 0.000) 4.220 18.624 ( -0.000 4.504 0.000) 4.504 19.350 ( 0.000 -13.930 0.000) 13.930 19.736 ( 0.000 -3.779 0.000) 3.779 19.969 ( -0.000 7.428 0.000) 7.428 20.343 ( 0.000 -11.515 0.000) 11.515 20.914 ( -0.000 10.225 0.000) 10.225 21.220 ( -0.000 7.323 0.000) 7.323 21.235 ( -0.000 0.815 0.000) 0.815 21.244 ( -0.000 0.808 0.000) 0.808 21.266 ( -0.000 0.719 0.000) 0.719 21.279 ( -0.000 0.704 0.000) 0.704 21.349 ( -0.000 6.964 0.000) 6.964 21.504 ( -0.000 4.619 0.000) 4.619 21.742 ( 0.000 -1.288 0.000) 1.288 21.871 ( -0.000 2.916 0.000) 2.916 22.141 ( -0.000 16.662 0.000) 16.662 23.698 ( 0.000 -2.301 0.000) 2.301 23.725 ( 0.000 -1.265 0.000) 1.265 24.302 ( 0.000 -5.819 0.000) 5.819 24.596 ( -0.000 0.230 0.000) 0.230 24.807 ( 0.000 -5.288 0.000) 5.288 26.517 ( 0.000 -1.556 0.000) 1.556 26.880 ( 0.000 -8.401 0.000) 8.401 ======================= Grid point 20 (14/50) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 22.358 -0.000 0.000) 22.358 1.887 ( 24.896 -0.000 0.000) 24.896 2.465 ( 27.919 -0.000 0.000) 27.919 2.491 ( 3.353 -0.000 0.000) 3.353 2.797 ( -0.020 0.000 0.000) 0.020 2.834 ( 8.466 -0.000 0.000) 8.466 3.153 ( 3.813 -0.000 0.000) 3.813 3.342 ( 8.470 -0.000 0.000) 8.470 3.355 ( -2.027 0.000 0.000) 2.027 3.398 ( -3.682 0.000 0.000) 3.682 3.577 ( 4.190 -0.000 0.000) 4.190 3.860 ( 8.033 -0.000 0.000) 8.033 3.908 ( 3.700 -0.000 0.000) 3.700 4.094 ( 9.792 -0.000 0.000) 9.792 4.129 ( -5.835 0.000 0.000) 5.835 4.218 ( 27.379 -0.000 0.000) 27.379 4.261 ( 26.581 -0.000 0.000) 26.581 4.365 ( -2.590 0.000 0.000) 2.590 4.396 ( 0.947 -0.000 0.000) 0.947 4.573 ( 20.019 -0.000 0.000) 20.019 4.585 ( 33.145 -0.000 0.000) 33.145 4.651 ( 34.172 -0.000 0.000) 34.172 4.823 ( 5.733 -0.000 0.000) 5.733 4.948 ( 12.787 -0.000 0.000) 12.787 4.961 ( 6.715 -0.000 0.000) 6.715 5.035 ( 3.774 -0.000 0.000) 3.774 5.173 ( 8.563 -0.000 0.000) 8.563 5.346 ( -2.433 0.000 0.000) 2.433 5.757 ( -9.211 0.000 0.000) 9.211 5.759 ( -2.458 0.000 0.000) 2.458 5.779 ( 6.205 -0.000 0.000) 6.205 6.015 ( -0.598 0.000 0.000) 0.598 6.030 ( -4.292 0.000 0.000) 4.292 6.107 ( 2.679 -0.000 0.000) 2.679 6.295 ( 0.139 -0.000 0.000) 0.139 6.328 ( -10.989 0.000 0.000) 10.989 6.657 ( -0.314 0.000 0.000) 0.314 6.686 ( -16.049 0.000 0.000) 16.049 6.838 ( 0.672 -0.000 0.000) 0.672 6.928 ( 0.734 -0.000 0.000) 0.734 7.100 ( -0.559 0.000 0.000) 0.559 7.133 ( 8.567 -0.000 0.000) 8.567 7.257 ( -24.207 0.000 0.000) 24.207 7.309 ( -16.135 0.000 0.000) 16.135 7.314 ( -2.347 0.000 0.000) 2.347 7.403 ( 3.701 -0.000 0.000) 3.701 7.541 ( -4.123 0.000 0.000) 4.123 7.606 ( -3.505 0.000 0.000) 3.505 7.865 ( 11.929 -0.000 0.000) 11.929 8.048 ( -11.232 0.000 0.000) 11.232 8.207 ( 4.168 -0.000 0.000) 4.168 8.311 ( -5.523 0.000 0.000) 5.523 8.587 ( -1.268 0.000 0.000) 1.268 8.678 ( -0.238 0.000 0.000) 0.238 8.769 ( -10.755 0.000 0.000) 10.755 8.823 ( 6.326 -0.000 0.000) 6.326 9.228 ( 3.935 -0.000 0.000) 3.935 9.327 ( 3.617 -0.000 0.000) 3.617 9.965 ( 18.932 -0.000 0.000) 18.932 10.331 ( -11.456 0.000 0.000) 11.456 10.419 ( -5.807 0.000 0.000) 5.807 10.474 ( -1.153 0.000 0.000) 1.153 10.973 ( -0.306 0.000 0.000) 0.306 11.273 ( 2.197 -0.000 0.000) 2.197 11.396 ( -8.008 0.000 0.000) 8.008 11.519 ( -7.627 0.000 0.000) 7.627 11.539 ( -5.033 0.000 0.000) 5.033 11.678 ( -7.406 0.000 0.000) 7.406 12.657 ( 0.497 -0.000 0.000) 0.497 12.787 ( -2.452 0.000 0.000) 2.452 13.295 ( 1.124 -0.000 0.000) 1.124 13.303 ( 1.615 -0.000 0.000) 1.615 13.468 ( 2.237 -0.000 0.000) 2.237 13.789 ( 1.736 -0.000 0.000) 1.736 13.967 ( -2.062 0.000 0.000) 2.062 14.110 ( 3.391 -0.000 0.000) 3.391 14.247 ( 3.684 -0.000 0.000) 3.684 14.359 ( 0.323 -0.000 0.000) 0.323 14.657 ( 0.850 -0.000 0.000) 0.850 14.679 ( 0.334 -0.000 0.000) 0.334 15.313 ( -4.075 0.000 0.000) 4.075 15.402 ( -6.042 0.000 0.000) 6.042 15.545 ( -2.315 0.000 0.000) 2.315 15.683 ( -6.617 0.000 0.000) 6.617 15.756 ( 6.477 -0.000 0.000) 6.477 15.788 ( 6.738 -0.000 0.000) 6.738 17.197 ( 9.135 -0.000 0.000) 9.135 17.249 ( 1.805 -0.000 0.000) 1.805 17.342 ( 1.022 -0.000 0.000) 1.022 17.476 ( 8.942 -0.000 0.000) 8.942 18.781 ( 4.405 -0.000 0.000) 4.405 18.862 ( 8.117 -0.000 0.000) 8.117 19.406 ( -6.939 0.000 0.000) 6.939 19.448 ( -9.388 0.000 0.000) 9.388 20.305 ( 8.640 -0.000 0.000) 8.640 20.523 ( 8.538 -0.000 0.000) 8.538 20.563 ( 3.461 -0.000 0.000) 3.461 20.700 ( 2.755 -0.000 0.000) 2.755 20.857 ( 8.302 -0.000 0.000) 8.302 21.032 ( 1.022 -0.000 0.000) 1.022 21.103 ( 0.446 -0.000 0.000) 0.446 21.186 ( -9.608 0.000 0.000) 9.608 21.533 ( -7.242 0.000 0.000) 7.242 21.826 ( -1.478 0.000 0.000) 1.478 22.151 ( 7.735 -0.000 0.000) 7.735 22.181 ( 8.630 -0.000 0.000) 8.630 23.496 ( 14.427 -0.000 0.000) 14.427 23.655 ( -1.873 0.000 0.000) 1.873 24.005 ( 0.866 -0.000 0.000) 0.866 24.315 ( -6.785 0.000 0.000) 6.785 24.427 ( -4.299 0.000 0.000) 4.299 24.684 ( -4.860 0.000 0.000) 4.860 26.341 ( -2.315 0.000 0.000) 2.315 26.448 ( -7.303 0.000 0.000) 7.303 ======================= Grid point 21 (15/50) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 18.515 -6.096 0.000) 19.493 2.286 ( 15.758 -4.154 0.000) 16.297 2.528 ( 1.834 -1.626 0.000) 2.451 2.762 ( -3.751 0.080 0.000) 3.752 2.867 ( 21.086 4.559 0.000) 21.573 2.913 ( 8.034 8.223 0.000) 11.496 3.218 ( -5.104 10.416 0.000) 11.600 3.233 ( 1.920 0.183 0.000) 1.929 3.345 ( 3.306 16.871 0.000) 17.192 3.385 ( -1.105 -1.014 0.000) 1.500 3.605 ( 8.210 3.971 0.000) 9.120 3.854 ( 0.024 26.426 0.000) 26.426 3.937 ( 2.962 -0.505 0.000) 3.005 3.979 ( 1.486 -4.259 0.000) 4.511 4.164 ( 6.458 7.536 0.000) 9.924 4.368 ( 1.952 4.365 0.000) 4.781 4.436 ( 2.782 -7.872 0.000) 8.349 4.676 ( -7.537 -1.091 0.000) 7.615 4.738 ( 7.770 -2.967 0.000) 8.317 4.775 ( 5.244 -4.466 0.000) 6.888 4.812 ( 4.331 -9.562 0.000) 10.497 4.891 ( 10.783 -6.123 0.000) 12.400 4.954 ( -4.101 -0.232 0.000) 4.107 4.970 ( -5.202 0.070 0.000) 5.202 5.055 ( 4.176 -3.175 0.000) 5.246 5.236 ( 12.831 6.088 0.000) 14.202 5.301 ( 3.799 -3.166 0.000) 4.945 5.329 ( 3.350 5.924 0.000) 6.806 5.570 ( -11.859 -2.508 0.000) 12.121 5.787 ( 0.707 -7.974 0.000) 8.005 5.910 ( -4.201 -1.368 0.000) 4.419 5.913 ( 1.816 0.161 0.000) 1.823 5.948 ( -2.560 -1.071 0.000) 2.775 6.061 ( -3.321 6.997 0.000) 7.745 6.273 ( -7.414 -4.228 0.000) 8.535 6.283 ( -2.311 -9.342 0.000) 9.623 6.419 ( -13.764 -0.702 0.000) 13.782 6.572 ( -2.954 13.193 0.000) 13.520 6.775 ( -6.530 16.670 0.000) 17.904 6.843 ( -3.776 -5.655 0.000) 6.800 6.888 ( -9.615 2.635 0.000) 9.969 6.976 ( -5.744 2.250 0.000) 6.169 7.221 ( -6.290 -12.649 0.000) 14.127 7.262 ( -0.298 -1.669 0.000) 1.696 7.296 ( 4.386 0.559 0.000) 4.421 7.494 ( 5.017 -2.983 0.000) 5.837 7.516 ( -2.799 -0.060 0.000) 2.800 7.589 ( 1.564 -5.025 0.000) 5.263 7.929 ( -3.995 -1.292 0.000) 4.199 7.993 ( 3.594 2.704 0.000) 4.498 8.197 ( -0.964 3.367 0.000) 3.502 8.279 ( -2.925 -3.985 0.000) 4.944 8.542 ( -4.478 2.538 0.000) 5.147 8.632 ( -3.047 -1.659 0.000) 3.469 8.656 ( -0.125 3.448 0.000) 3.450 8.927 ( 7.273 1.564 0.000) 7.440 9.216 ( 1.734 6.808 0.000) 7.026 9.394 ( -0.955 -5.105 0.000) 5.193 10.136 ( -12.583 -1.649 0.000) 12.690 10.285 ( 16.375 -1.582 0.000) 16.451 10.314 ( -5.953 0.582 0.000) 5.981 10.511 ( 6.082 0.903 0.000) 6.149 10.967 ( -0.159 0.266 0.000) 0.309 11.330 ( 4.577 0.447 0.000) 4.599 11.377 ( 5.691 -0.462 0.000) 5.710 11.502 ( 4.483 -1.484 0.000) 4.722 11.565 ( 8.200 0.139 0.000) 8.202 11.680 ( 7.702 -0.404 0.000) 7.713 12.658 ( 0.185 0.716 0.000) 0.739 12.773 ( -1.103 -2.615 0.000) 2.838 13.293 ( 0.885 1.072 0.000) 1.390 13.361 ( 0.878 -3.943 0.000) 4.039 13.481 ( -2.406 -2.192 0.000) 3.255 13.795 ( -1.667 -0.691 0.000) 1.804 13.908 ( -6.066 -1.528 0.000) 6.255 14.134 ( -1.626 -0.519 0.000) 1.707 14.305 ( 3.384 0.718 0.000) 3.459 14.357 ( 1.204 1.607 0.000) 2.008 14.681 ( 1.433 -0.337 0.000) 1.472 14.696 ( 1.149 -0.297 0.000) 1.186 15.218 ( -4.464 1.883 0.000) 4.845 15.276 ( -5.995 1.810 0.000) 6.262 15.524 ( 1.556 2.134 0.000) 2.641 15.597 ( -0.175 3.234 0.000) 3.239 15.905 ( 6.982 -4.341 0.000) 8.221 15.969 ( 7.106 -6.959 0.000) 9.946 17.231 ( 3.177 5.986 0.000) 6.777 17.350 ( 3.063 4.072 0.000) 5.095 17.372 ( 5.461 -3.994 0.000) 6.766 17.620 ( 6.351 -1.318 0.000) 6.486 18.850 ( 2.608 -1.406 0.000) 2.963 19.011 ( 8.801 -0.777 0.000) 8.835 19.271 ( -5.953 3.751 0.000) 7.036 19.294 ( -6.475 3.315 0.000) 7.274 20.444 ( 6.188 -0.615 0.000) 6.218 20.555 ( -1.389 2.636 0.000) 2.979 20.658 ( 7.761 0.455 0.000) 7.774 20.792 ( 4.653 -3.152 0.000) 5.620 20.936 ( -2.251 -0.231 0.000) 2.263 21.106 ( 2.787 0.642 0.000) 2.860 21.109 ( 7.240 0.776 0.000) 7.282 21.124 ( 3.320 -0.488 0.000) 3.356 21.423 ( -4.083 0.625 0.000) 4.130 21.803 ( -1.571 -0.440 0.000) 1.632 22.264 ( 6.114 1.025 0.000) 6.200 22.314 ( 6.519 0.033 0.000) 6.519 23.603 ( 3.843 7.026 0.000) 8.009 23.726 ( 8.640 -0.204 0.000) 8.643 23.970 ( -4.607 0.589 0.000) 4.644 24.221 ( -7.825 -5.339 0.000) 9.473 24.320 ( -8.081 -0.129 0.000) 8.082 24.582 ( -7.604 -1.408 0.000) 7.733 26.324 ( -0.035 -0.490 0.000) 0.491 26.356 ( -3.573 -0.256 0.000) 3.582 ======================= Grid point 22 (16/50) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 2.703 5.425 0.000) 6.061 2.556 ( 12.205 -6.684 0.000) 13.916 2.619 ( 1.169 -2.017 0.000) 2.331 2.683 ( -5.006 -0.740 0.000) 5.061 2.855 ( 4.682 28.362 0.000) 28.746 2.861 ( -9.094 23.457 0.000) 25.158 3.070 ( 9.287 6.492 0.000) 11.331 3.105 ( 2.149 1.922 0.000) 2.883 3.332 ( 1.196 -0.803 0.000) 1.441 3.363 ( 0.968 5.557 0.000) 5.640 3.567 ( 0.910 17.712 0.000) 17.735 3.726 ( 4.857 3.369 0.000) 5.911 3.968 ( -6.641 0.150 0.000) 6.643 4.021 ( 3.887 4.076 0.000) 5.632 4.145 ( 2.664 11.402 0.000) 11.709 4.219 ( -19.628 11.125 0.000) 22.562 4.278 ( -20.826 4.281 0.000) 21.261 4.278 ( -22.985 3.091 0.000) 23.192 4.641 ( -15.973 -3.566 0.000) 16.367 4.664 ( -28.442 -3.521 0.000) 28.659 4.763 ( 4.130 -1.941 0.000) 4.563 4.919 ( -1.330 12.339 0.000) 12.411 4.923 ( -10.900 -4.586 0.000) 11.825 5.053 ( 0.561 -0.699 0.000) 0.896 5.194 ( 3.366 -0.271 0.000) 3.377 5.239 ( -3.985 0.541 0.000) 4.022 5.381 ( 1.764 -11.198 0.000) 11.336 5.399 ( 8.466 4.200 0.000) 9.450 5.509 ( 0.712 -11.201 0.000) 11.223 5.717 ( -6.192 6.795 0.000) 9.193 5.717 ( -13.893 -2.410 0.000) 14.100 5.815 ( -10.824 10.434 0.000) 15.034 6.063 ( -0.264 -2.895 0.000) 2.907 6.110 ( 2.869 -11.726 0.000) 12.072 6.227 ( 5.431 -3.721 0.000) 6.583 6.235 ( -2.808 11.127 0.000) 11.476 6.396 ( 1.658 -5.251 0.000) 5.507 6.433 ( 4.192 11.353 0.000) 12.102 6.553 ( -0.119 3.008 0.000) 3.010 6.656 ( -8.915 0.276 0.000) 8.919 6.926 ( 0.024 -2.637 0.000) 2.637 6.982 ( 1.840 -8.232 0.000) 8.435 7.209 ( -1.586 4.612 0.000) 4.877 7.275 ( -4.212 -9.271 0.000) 10.182 7.400 ( 2.446 -3.522 0.000) 4.288 7.476 ( -0.389 -1.804 0.000) 1.846 7.624 ( 4.483 -2.842 0.000) 5.308 7.752 ( 6.999 -6.800 0.000) 9.759 7.880 ( -3.760 3.198 0.000) 4.936 7.948 ( -5.007 -2.971 0.000) 5.822 8.093 ( -6.079 3.828 0.000) 7.184 8.304 ( -1.302 -5.393 0.000) 5.548 8.424 ( -3.274 3.333 0.000) 4.672 8.575 ( -2.094 6.628 0.000) 6.951 8.662 ( 2.549 -0.429 0.000) 2.585 9.048 ( 8.589 -0.245 0.000) 8.592 9.143 ( -0.380 6.307 0.000) 6.319 9.437 ( -0.157 -4.376 0.000) 4.378 9.963 ( -11.972 -4.380 0.000) 12.748 10.189 ( -6.210 2.299 0.000) 6.622 10.546 ( 12.437 -0.279 0.000) 12.440 10.625 ( 8.151 1.193 0.000) 8.238 10.961 ( -0.125 0.322 0.000) 0.346 11.393 ( 3.710 0.928 0.000) 3.824 11.586 ( 17.229 -0.855 0.000) 17.251 11.711 ( 17.658 -1.363 0.000) 17.711 11.796 ( 18.708 0.401 0.000) 18.712 11.926 ( 19.319 -0.753 0.000) 19.334 12.649 ( -0.032 0.735 0.000) 0.735 12.806 ( -0.296 -4.105 0.000) 4.116 13.296 ( 0.354 0.460 0.000) 0.581 13.422 ( 0.003 -4.252 0.000) 4.252 13.434 ( -7.105 -2.858 0.000) 7.659 13.743 ( -5.622 -0.613 0.000) 5.655 13.805 ( -9.557 -3.354 0.000) 10.129 14.063 ( -6.584 0.230 0.000) 6.588 14.333 ( 1.964 2.253 0.000) 2.989 14.364 ( 1.806 2.061 0.000) 2.740 14.706 ( 1.105 -0.221 0.000) 1.127 14.717 ( 0.960 -0.224 0.000) 0.986 15.144 ( -2.431 0.166 0.000) 2.437 15.184 ( -3.505 -0.078 0.000) 3.506 15.554 ( 6.207 3.275 0.000) 7.018 15.600 ( 5.185 3.177 0.000) 6.081 16.068 ( 5.196 -4.521 0.000) 6.887 16.168 ( 5.433 -7.514 0.000) 9.273 17.196 ( 2.610 7.239 0.000) 7.696 17.347 ( 4.460 6.463 0.000) 7.852 17.474 ( 2.650 -0.656 0.000) 2.730 17.704 ( 2.901 0.815 0.000) 3.013 18.899 ( 0.011 -2.947 0.000) 2.947 19.121 ( -4.568 5.790 0.000) 7.375 19.126 ( -1.584 4.200 0.000) 4.489 19.189 ( 5.144 -0.317 0.000) 5.154 20.460 ( -4.141 1.703 0.000) 4.477 20.462 ( -5.296 2.493 0.000) 5.853 20.804 ( 11.322 1.917 0.000) 11.483 20.919 ( 7.022 -1.734 0.000) 7.233 20.938 ( 4.997 0.041 0.000) 4.997 21.125 ( 0.587 -0.123 0.000) 0.600 21.158 ( 1.755 4.052 0.000) 4.416 21.262 ( 9.407 -0.110 0.000) 9.407 21.451 ( 6.115 -2.157 0.000) 6.484 21.782 ( -1.909 -0.649 0.000) 2.017 22.312 ( 2.792 4.149 0.000) 5.001 22.381 ( 3.377 3.167 0.000) 4.629 23.511 ( -2.503 10.654 0.000) 10.944 23.827 ( 5.679 4.321 0.000) 7.136 23.847 ( -8.946 0.036 0.000) 8.946 24.180 ( -9.857 -2.476 0.000) 10.163 24.213 ( -4.445 -10.771 0.000) 11.652 24.492 ( -6.223 -3.909 0.000) 7.349 26.328 ( -0.231 -1.010 0.000) 1.036 26.361 ( 1.995 -1.977 0.000) 2.809 ======================= Grid point 23 (17/50) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -0.044 23.856 0.000) 23.856 2.294 ( -13.627 30.807 0.000) 33.687 2.528 ( -2.746 10.801 0.000) 11.145 2.556 ( -7.335 4.530 0.000) 8.621 2.650 ( 0.596 3.172 0.000) 3.228 2.770 ( 6.404 0.884 0.000) 6.465 3.119 ( -23.143 5.885 0.000) 23.880 3.138 ( 2.119 4.224 0.000) 4.726 3.227 ( 1.404 15.160 0.000) 15.225 3.316 ( -20.908 0.342 0.000) 20.911 3.352 ( 0.588 -0.085 0.000) 0.594 3.411 ( -35.566 10.467 0.000) 37.075 3.487 ( -3.711 5.640 0.000) 6.751 3.641 ( -31.398 1.668 0.000) 31.442 3.824 ( -10.134 12.253 0.000) 15.901 3.845 ( -27.934 10.530 0.000) 29.853 4.059 ( 1.858 9.825 0.000) 9.999 4.202 ( 7.121 1.317 0.000) 7.242 4.350 ( -7.181 1.124 0.000) 7.268 4.398 ( -5.548 9.780 0.000) 11.244 4.680 ( -5.180 8.288 0.000) 9.773 4.746 ( 0.929 9.651 0.000) 9.696 4.905 ( -2.949 0.621 0.000) 3.014 4.956 ( -6.066 9.213 0.000) 11.030 5.089 ( -8.206 -3.743 0.000) 9.019 5.265 ( 0.519 -5.067 0.000) 5.094 5.412 ( -2.019 -6.334 0.000) 6.648 5.480 ( -9.843 12.279 0.000) 15.737 5.525 ( -2.165 13.206 0.000) 13.383 5.538 ( -6.511 -1.113 0.000) 6.606 5.648 ( 1.419 1.760 0.000) 2.261 5.649 ( 5.146 -13.887 0.000) 14.810 5.998 ( -4.459 11.666 0.000) 12.489 6.106 ( 1.699 -2.710 0.000) 3.199 6.265 ( -3.148 2.401 0.000) 3.959 6.293 ( 2.373 -5.951 0.000) 6.407 6.421 ( 6.997 4.320 0.000) 8.223 6.434 ( 0.312 -1.916 0.000) 1.941 6.650 ( 2.119 -8.265 0.000) 8.533 6.652 ( -0.038 -7.732 0.000) 7.732 7.020 ( -2.960 4.084 0.000) 5.044 7.026 ( 2.519 -7.814 0.000) 8.210 7.156 ( -2.480 -5.572 0.000) 6.099 7.312 ( -0.840 -4.560 0.000) 4.637 7.471 ( 1.642 -3.795 0.000) 4.135 7.547 ( 4.167 -1.822 0.000) 4.548 7.615 ( -7.465 1.115 0.000) 7.548 7.808 ( 0.137 -0.384 0.000) 0.408 7.901 ( -3.908 1.323 0.000) 4.126 7.927 ( -7.968 1.555 0.000) 8.119 7.955 ( 6.740 -5.288 0.000) 8.567 8.343 ( -2.299 -4.650 0.000) 5.187 8.377 ( -1.160 -2.161 0.000) 2.453 8.439 ( -2.235 8.086 0.000) 8.390 8.702 ( 3.434 1.935 0.000) 3.941 9.065 ( -0.530 4.291 0.000) 4.323 9.224 ( 9.236 -3.489 0.000) 9.873 9.503 ( 2.114 -3.280 0.000) 3.902 9.856 ( -9.705 -8.003 0.000) 12.579 10.048 ( -5.497 4.659 0.000) 7.206 10.710 ( 8.090 1.574 0.000) 8.241 10.736 ( 7.006 1.699 0.000) 7.209 10.952 ( -0.500 0.511 0.000) 0.715 11.436 ( 3.013 1.107 0.000) 3.210 11.940 ( 22.542 -0.989 0.000) 22.564 12.088 ( 24.238 -1.072 0.000) 24.262 12.141 ( 21.839 0.675 0.000) 21.849 12.298 ( 22.883 -0.250 0.000) 22.884 12.641 ( 0.000 0.490 0.000) 0.490 12.855 ( -0.115 -3.934 0.000) 3.935 13.285 ( -0.824 1.065 0.000) 1.346 13.308 ( -11.622 -2.154 0.000) 11.819 13.431 ( -4.633 -1.090 0.000) 4.759 13.621 ( -9.207 0.095 0.000) 9.208 13.691 ( -10.604 -6.822 0.000) 12.609 13.934 ( -7.518 -0.232 0.000) 7.522 14.311 ( 0.125 4.065 0.000) 4.067 14.352 ( 0.368 3.047 0.000) 3.069 14.734 ( 1.372 -1.423 0.000) 1.977 14.745 ( 1.455 -1.665 0.000) 2.211 15.128 ( -1.092 -1.666 0.000) 1.992 15.152 ( -2.103 -1.858 0.000) 2.806 15.649 ( 9.678 3.324 0.000) 10.233 15.685 ( 8.667 2.491 0.000) 9.018 16.169 ( 2.308 -0.686 0.000) 2.408 16.327 ( 3.334 -6.048 0.000) 6.906 17.147 ( 1.965 6.444 0.000) 6.737 17.339 ( 4.669 7.194 0.000) 8.576 17.464 ( -0.848 4.923 0.000) 4.995 17.693 ( -0.353 4.411 0.000) 4.425 18.920 ( -2.782 -3.020 0.000) 4.106 18.986 ( -2.600 4.766 0.000) 5.429 18.995 ( -3.027 6.784 0.000) 7.429 19.332 ( 6.320 -3.380 0.000) 7.167 20.322 ( -6.839 3.141 0.000) 7.526 20.331 ( -6.060 2.390 0.000) 6.514 20.982 ( 13.186 3.160 0.000) 13.559 21.062 ( 9.497 2.014 0.000) 9.708 21.067 ( 9.066 0.199 0.000) 9.068 21.135 ( 0.878 -0.053 0.000) 0.879 21.143 ( 4.716 5.129 0.000) 6.968 21.410 ( 7.563 -0.095 0.000) 7.564 21.594 ( 5.245 -2.957 0.000) 6.021 21.747 ( -3.139 -0.257 0.000) 3.149 22.236 ( -2.501 9.169 0.000) 9.504 22.334 ( -0.968 7.868 0.000) 7.927 23.253 ( -9.888 13.102 0.000) 16.415 23.699 ( -9.187 -2.080 0.000) 9.420 23.812 ( -1.278 3.099 0.000) 3.352 24.071 ( -8.749 -5.902 0.000) 10.554 24.323 ( 0.697 -10.463 0.000) 10.486 24.485 ( -1.134 -4.676 0.000) 4.811 26.359 ( 1.351 -2.130 0.000) 2.522 26.442 ( 3.201 -3.670 0.000) 4.870 ======================= Grid point 24 (18/50) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -10.142 34.025 0.000) 35.505 1.898 ( -0.963 30.431 0.000) 30.446 2.082 ( -42.179 15.228 0.000) 44.844 2.387 ( -7.903 2.385 0.000) 8.255 2.409 ( -39.928 18.408 0.000) 43.967 2.507 ( -8.894 1.748 0.000) 9.065 2.664 ( 1.803 2.456 0.000) 3.047 2.795 ( 0.302 9.000 0.000) 9.005 2.993 ( 0.741 16.602 0.000) 16.619 3.042 ( -21.051 1.469 0.000) 21.102 3.233 ( -22.236 10.707 0.000) 24.680 3.305 ( -2.674 9.070 0.000) 9.456 3.308 ( 0.704 -5.839 0.000) 5.881 3.349 ( -1.476 8.562 0.000) 8.689 3.488 ( 2.008 1.405 0.000) 2.451 3.532 ( -4.386 12.157 0.000) 12.924 3.746 ( -5.541 18.678 0.000) 19.482 4.214 ( -1.372 8.565 0.000) 8.674 4.278 ( 3.026 3.557 0.000) 4.670 4.366 ( 4.028 3.926 0.000) 5.625 4.485 ( -1.953 12.779 0.000) 12.927 4.612 ( -3.101 11.785 0.000) 12.186 4.688 ( -6.497 12.341 0.000) 13.947 4.732 ( -4.913 9.568 0.000) 10.756 5.120 ( -3.257 -7.580 0.000) 8.251 5.165 ( -7.103 14.348 0.000) 16.010 5.283 ( -1.727 -1.838 0.000) 2.523 5.363 ( -0.908 4.754 0.000) 4.840 5.407 ( -2.570 -0.644 0.000) 2.649 5.632 ( -1.040 -11.847 0.000) 11.892 5.647 ( 10.930 3.407 0.000) 11.448 5.753 ( -1.207 11.472 0.000) 11.535 5.920 ( 2.222 -10.243 0.000) 10.481 6.026 ( -9.643 -0.626 0.000) 9.664 6.291 ( 4.277 1.402 0.000) 4.501 6.361 ( -2.781 -5.015 0.000) 5.734 6.442 ( -0.745 2.713 0.000) 2.813 6.500 ( 4.293 -4.529 0.000) 6.240 6.724 ( -2.670 -5.974 0.000) 6.544 6.730 ( -4.609 -6.875 0.000) 8.277 6.919 ( 0.537 5.246 0.000) 5.274 7.160 ( 2.531 -6.022 0.000) 6.532 7.182 ( -4.158 -6.931 0.000) 8.083 7.367 ( 0.455 -2.534 0.000) 2.575 7.500 ( -2.837 -1.547 0.000) 3.231 7.524 ( 1.070 -0.182 0.000) 1.085 7.639 ( 3.622 -1.282 0.000) 3.842 7.756 ( -1.257 10.781 0.000) 10.854 7.801 ( -4.507 0.154 0.000) 4.510 7.825 ( -3.442 -2.223 0.000) 4.098 8.108 ( 3.036 -5.101 0.000) 5.936 8.285 ( -0.739 9.212 0.000) 9.241 8.378 ( -2.584 -5.320 0.000) 5.914 8.421 ( -0.661 -6.420 0.000) 6.454 8.738 ( 3.102 1.145 0.000) 3.306 9.029 ( 0.364 1.349 0.000) 1.398 9.425 ( 7.468 -5.442 0.000) 9.240 9.591 ( 4.363 -2.881 0.000) 5.229 9.827 ( -7.640 -9.608 0.000) 12.275 9.881 ( -4.777 8.724 0.000) 9.946 10.783 ( 3.992 2.777 0.000) 4.863 10.815 ( 4.881 1.929 0.000) 5.248 10.930 ( -1.280 0.412 0.000) 1.344 11.464 ( 1.908 1.138 0.000) 2.222 12.331 ( 21.601 -0.662 0.000) 21.612 12.462 ( 15.707 1.230 0.000) 15.755 12.513 ( 24.116 -0.401 0.000) 24.119 12.647 ( 1.864 -0.065 0.000) 1.865 12.659 ( 18.972 0.374 0.000) 18.976 12.885 ( -1.847 -1.815 0.000) 2.590 13.111 ( -13.326 -1.879 0.000) 13.458 13.210 ( -8.321 2.179 0.000) 8.602 13.294 ( -7.897 1.782 0.000) 8.095 13.445 ( -10.155 0.894 0.000) 10.194 13.607 ( -9.527 -6.263 0.000) 11.401 13.870 ( -2.567 -3.888 0.000) 4.659 14.248 ( -0.599 4.758 0.000) 4.796 14.305 ( -0.474 3.801 0.000) 3.830 14.793 ( 1.773 -3.792 0.000) 4.186 14.813 ( 1.990 -4.494 0.000) 4.915 15.135 ( -0.969 -1.998 0.000) 2.221 15.146 ( -1.753 -2.074 0.000) 2.715 15.780 ( 9.715 2.867 0.000) 10.129 15.807 ( 7.878 1.502 0.000) 8.020 16.142 ( -1.598 6.516 0.000) 6.709 16.430 ( 1.612 -3.996 0.000) 4.309 17.111 ( 1.042 3.234 0.000) 3.398 17.321 ( 2.822 6.198 0.000) 6.810 17.328 ( -2.956 10.938 0.000) 11.331 17.590 ( -1.964 8.130 0.000) 8.364 18.839 ( -1.845 6.067 0.000) 6.342 18.870 ( -1.510 7.136 0.000) 7.294 18.973 ( -2.287 -6.479 0.000) 6.871 19.473 ( 3.390 -5.838 0.000) 6.751 20.188 ( -3.680 3.692 0.000) 5.213 20.225 ( -2.750 1.746 0.000) 3.257 21.117 ( 1.079 1.807 0.000) 2.104 21.157 ( 12.073 3.489 0.000) 12.567 21.190 ( 9.518 4.903 0.000) 10.707 21.216 ( 8.366 1.750 0.000) 8.547 21.218 ( 7.890 0.862 0.000) 7.936 21.495 ( 2.568 1.599 0.000) 3.025 21.632 ( -5.325 0.457 0.000) 5.345 21.707 ( -0.860 -1.520 0.000) 1.746 22.005 ( -7.071 13.674 0.000) 15.394 22.169 ( -3.631 10.811 0.000) 11.405 22.891 ( -10.636 15.517 0.000) 18.812 23.613 ( -5.185 -3.860 0.000) 6.464 23.739 ( -3.821 0.519 0.000) 3.856 24.044 ( -4.889 -8.419 0.000) 9.736 24.465 ( 1.601 -8.323 0.000) 8.475 24.553 ( 1.807 -4.643 0.000) 4.983 26.415 ( 1.350 -2.775 0.000) 3.086 26.552 ( 2.634 -5.879 0.000) 6.443 ======================= Grid point 25 (19/50) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -0.000 32.618 0.000) 32.618 1.337 ( -0.000 24.438 0.000) 24.438 1.628 ( -0.000 12.401 0.000) 12.401 1.756 ( -0.000 21.392 0.000) 21.392 2.257 ( -0.000 3.423 0.000) 3.423 2.420 ( -0.000 1.360 0.000) 1.360 2.522 ( -0.000 30.849 0.000) 30.849 2.614 ( -0.000 19.801 0.000) 19.801 2.828 ( -0.000 5.687 0.000) 5.687 2.865 ( -0.000 14.351 0.000) 14.351 2.940 ( 0.000 -2.817 0.000) 2.817 3.000 ( -0.000 22.048 0.000) 22.048 3.123 ( -0.000 13.203 0.000) 13.203 3.370 ( 0.000 -1.580 0.000) 1.580 3.464 ( 0.000 -2.043 0.000) 2.043 3.527 ( 0.000 -4.481 0.000) 4.481 3.610 ( -0.000 4.583 0.000) 4.583 4.061 ( -0.000 11.939 0.000) 11.939 4.277 ( 0.000 -0.273 0.000) 0.273 4.310 ( -0.000 12.267 0.000) 12.267 4.325 ( -0.000 7.756 0.000) 7.756 4.403 ( -0.000 14.294 0.000) 14.294 4.489 ( -0.000 9.270 0.000) 9.270 4.567 ( -0.000 9.337 0.000) 9.337 4.910 ( -0.000 16.040 0.000) 16.040 5.068 ( -0.000 8.585 0.000) 8.585 5.275 ( 0.000 -0.448 0.000) 0.448 5.408 ( 0.000 -2.809 0.000) 2.809 5.425 ( 0.000 -11.486 0.000) 11.486 5.585 ( -0.000 11.039 0.000) 11.039 5.757 ( -0.000 2.723 0.000) 2.723 5.788 ( 0.000 -11.384 0.000) 11.384 5.928 ( 0.000 -3.994 0.000) 3.994 6.072 ( 0.000 -8.524 0.000) 8.524 6.287 ( -0.000 9.507 0.000) 9.507 6.369 ( 0.000 -4.266 0.000) 4.266 6.380 ( 0.000 -2.333 0.000) 2.333 6.675 ( 0.000 -8.594 0.000) 8.594 6.698 ( 0.000 -3.103 0.000) 3.103 6.741 ( 0.000 -3.255 0.000) 3.255 6.880 ( -0.000 3.744 0.000) 3.744 7.232 ( 0.000 -8.134 0.000) 8.134 7.241 ( 0.000 -2.891 0.000) 2.891 7.390 ( 0.000 -3.914 0.000) 3.914 7.524 ( -0.000 0.999 0.000) 0.999 7.541 ( 0.000 -1.705 0.000) 1.705 7.587 ( -0.000 12.339 0.000) 12.339 7.661 ( -0.000 2.355 0.000) 2.355 7.773 ( 0.000 -0.283 0.000) 0.283 7.798 ( 0.000 -0.214 0.000) 0.214 8.142 ( -0.000 9.954 0.000) 9.954 8.195 ( 0.000 -3.278 0.000) 3.278 8.447 ( 0.000 -8.805 0.000) 8.805 8.499 ( 0.000 -6.742 0.000) 6.742 8.763 ( 0.000 -0.174 0.000) 0.174 9.028 ( -0.000 0.015 0.000) 0.015 9.582 ( 0.000 -6.681 0.000) 6.681 9.673 ( -0.000 15.897 0.000) 15.897 9.711 ( 0.000 -4.210 0.000) 4.210 9.831 ( 0.000 -6.921 0.000) 6.921 10.779 ( -0.000 3.139 0.000) 3.139 10.834 ( -0.000 2.534 0.000) 2.534 10.916 ( 0.000 -0.865 0.000) 0.865 11.468 ( -0.000 1.126 0.000) 1.126 12.553 ( -0.000 0.516 0.000) 0.516 12.613 ( 0.000 -0.079 0.000) 0.079 12.719 ( 0.000 -1.116 0.000) 1.116 12.763 ( -0.000 4.591 0.000) 4.591 12.798 ( -0.000 0.528 0.000) 0.528 12.877 ( 0.000 -0.478 0.000) 0.478 12.987 ( -0.000 3.296 0.000) 3.296 13.026 ( 0.000 -1.648 0.000) 1.648 13.182 ( -0.000 3.725 0.000) 3.725 13.332 ( 0.000 -1.118 0.000) 1.118 13.586 ( 0.000 -5.502 0.000) 5.502 13.910 ( 0.000 -4.498 0.000) 4.498 14.187 ( -0.000 3.913 0.000) 3.913 14.255 ( -0.000 3.192 0.000) 3.192 14.872 ( 0.000 -5.116 0.000) 5.116 14.909 ( 0.000 -6.941 0.000) 6.941 15.146 ( 0.000 -1.582 0.000) 1.582 15.150 ( 0.000 -1.571 0.000) 1.571 15.865 ( -0.000 1.116 0.000) 1.116 15.868 ( -0.000 1.037 0.000) 1.037 15.971 ( -0.000 13.846 0.000) 13.846 16.483 ( 0.000 -1.949 0.000) 1.949 17.078 ( -0.000 7.967 0.000) 7.967 17.155 ( -0.000 6.772 0.000) 6.772 17.275 ( -0.000 4.667 0.000) 4.667 17.458 ( -0.000 8.984 0.000) 8.984 18.744 ( -0.000 6.500 0.000) 6.500 18.770 ( -0.000 6.842 0.000) 6.842 19.052 ( 0.000 -9.644 0.000) 9.644 19.583 ( 0.000 -7.160 0.000) 7.160 20.108 ( -0.000 4.337 0.000) 4.337 20.202 ( 0.000 -0.951 0.000) 0.951 21.096 ( -0.000 3.424 0.000) 3.424 21.262 ( -0.000 1.282 0.000) 1.282 21.271 ( -0.000 1.298 0.000) 1.298 21.290 ( -0.000 1.076 0.000) 1.076 21.302 ( -0.000 1.069 0.000) 1.069 21.433 ( -0.000 7.837 0.000) 7.837 21.493 ( -0.000 5.018 0.000) 5.018 21.712 ( 0.000 -1.254 0.000) 1.254 21.739 ( -0.000 14.081 0.000) 14.081 22.005 ( -0.000 8.701 0.000) 8.701 22.577 ( -0.000 17.592 0.000) 17.592 23.619 ( 0.000 -3.898 0.000) 3.898 23.700 ( 0.000 -0.486 0.000) 0.486 24.113 ( 0.000 -8.844 0.000) 8.844 24.559 ( 0.000 -4.220 0.000) 4.220 24.644 ( 0.000 -6.664 0.000) 6.664 26.463 ( 0.000 -2.732 0.000) 2.732 26.664 ( 0.000 -7.927 0.000) 7.927 ======================= Grid point 30 (20/50) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 15.361 -0.000 0.000) 15.361 2.482 ( 3.654 -0.000 0.000) 3.654 2.547 ( 7.758 -0.000 0.000) 7.758 2.670 ( -6.789 0.000 0.000) 6.789 3.073 ( 4.717 -0.000 0.000) 4.717 3.193 ( 9.486 -0.000 0.000) 9.486 3.246 ( -1.336 0.000 0.000) 1.336 3.256 ( 2.391 -0.000 0.000) 2.391 3.325 ( -0.943 0.000 0.000) 0.943 3.573 ( 4.108 -0.000 0.000) 4.108 3.802 ( 7.487 -0.000 0.000) 7.487 3.825 ( -7.767 0.000 0.000) 7.767 3.918 ( 0.868 -0.000 0.000) 0.868 4.100 ( -8.410 0.000 0.000) 8.410 4.237 ( 9.070 -0.000 0.000) 9.070 4.313 ( -29.180 0.000 0.000) 29.180 4.392 ( -8.185 0.000 0.000) 8.185 4.411 ( -15.460 0.000 0.000) 15.460 4.543 ( -14.754 0.000 0.000) 14.754 4.576 ( -30.614 0.000 0.000) 30.614 4.583 ( -15.493 0.000 0.000) 15.493 4.936 ( 5.781 -0.000 0.000) 5.781 5.019 ( -9.974 0.000 0.000) 9.974 5.027 ( 19.525 -0.000 0.000) 19.525 5.183 ( 13.190 -0.000 0.000) 13.190 5.186 ( -11.992 0.000 0.000) 11.992 5.304 ( -1.921 0.000 0.000) 1.921 5.364 ( -2.898 0.000 0.000) 2.898 5.527 ( -7.092 0.000 0.000) 7.092 5.695 ( 2.549 -0.000 0.000) 2.549 5.811 ( -1.805 0.000 0.000) 1.805 5.917 ( -0.250 0.000 0.000) 0.250 5.923 ( 1.205 -0.000 0.000) 1.205 6.038 ( -5.840 0.000 0.000) 5.840 6.166 ( 3.230 -0.000 0.000) 3.230 6.212 ( 3.473 -0.000 0.000) 3.473 6.349 ( 2.782 -0.000 0.000) 2.782 6.681 ( -7.269 0.000 0.000) 7.269 6.698 ( 2.692 -0.000 0.000) 2.692 6.847 ( -4.350 0.000 0.000) 4.350 6.853 ( -7.737 0.000 0.000) 7.737 6.863 ( 2.478 -0.000 0.000) 2.478 7.023 ( -2.600 0.000 0.000) 2.600 7.215 ( -1.876 0.000 0.000) 1.876 7.386 ( 4.298 -0.000 0.000) 4.298 7.439 ( -6.971 0.000 0.000) 6.971 7.583 ( 7.015 -0.000 0.000) 7.015 7.634 ( 7.716 -0.000 0.000) 7.716 7.894 ( 0.413 -0.000 0.000) 0.413 7.930 ( -12.211 0.000 0.000) 12.211 8.140 ( -8.463 0.000 0.000) 8.463 8.233 ( 1.051 -0.000 0.000) 1.051 8.525 ( -3.244 0.000 0.000) 3.244 8.605 ( 4.198 -0.000 0.000) 4.198 8.676 ( -0.610 0.000 0.000) 0.610 9.048 ( 6.060 -0.000 0.000) 6.060 9.290 ( -0.011 0.000 0.000) 0.011 9.306 ( -2.513 0.000 0.000) 2.513 9.908 ( -12.845 0.000 0.000) 12.845 10.218 ( -5.565 0.000 0.000) 5.565 10.542 ( 14.051 -0.000 0.000) 14.051 10.641 ( 8.232 -0.000 0.000) 8.232 10.966 ( -0.087 0.000 0.000) 0.087 11.405 ( 3.610 -0.000 0.000) 3.610 11.574 ( 17.255 -0.000 0.000) 17.255 11.692 ( 18.260 -0.000 0.000) 18.260 11.800 ( 18.673 -0.000 0.000) 18.673 11.914 ( 19.541 -0.000 0.000) 19.541 12.666 ( -0.003 0.000 0.000) 0.003 12.741 ( -0.551 0.000 0.000) 0.551 13.313 ( 0.103 -0.000 0.000) 0.103 13.347 ( 0.868 -0.000 0.000) 0.868 13.391 ( -6.634 0.000 0.000) 6.634 13.734 ( -5.142 0.000 0.000) 5.142 13.761 ( -10.134 0.000 0.000) 10.134 14.062 ( -6.367 0.000 0.000) 6.367 14.366 ( 2.992 -0.000 0.000) 2.992 14.397 ( 2.103 -0.000 0.000) 2.103 14.704 ( 1.174 -0.000 0.000) 1.174 14.715 ( 0.985 -0.000 0.000) 0.985 15.150 ( -4.032 0.000 0.000) 4.032 15.186 ( -5.066 0.000 0.000) 5.066 15.604 ( 5.913 -0.000 0.000) 5.913 15.651 ( 4.229 -0.000 0.000) 4.229 15.992 ( 6.301 -0.000 0.000) 6.301 16.053 ( 7.204 -0.000 0.000) 7.204 17.331 ( 2.845 -0.000 0.000) 2.845 17.426 ( 4.589 -0.000 0.000) 4.589 17.436 ( 4.080 -0.000 0.000) 4.080 17.708 ( 4.464 -0.000 0.000) 4.464 18.865 ( 0.107 -0.000 0.000) 0.107 19.153 ( 8.133 -0.000 0.000) 8.133 19.200 ( -5.003 0.000 0.000) 5.003 19.219 ( -4.785 0.000 0.000) 4.785 20.479 ( -3.016 0.000 0.000) 3.016 20.499 ( -6.250 0.000 0.000) 6.250 20.831 ( 11.765 -0.000 0.000) 11.765 20.893 ( 8.951 -0.000 0.000) 8.951 20.935 ( 5.316 -0.000 0.000) 5.316 21.123 ( 0.640 -0.000 0.000) 0.640 21.209 ( 2.841 -0.000 0.000) 2.841 21.260 ( 9.293 -0.000 0.000) 9.293 21.425 ( 4.752 -0.000 0.000) 4.752 21.773 ( -1.616 0.000 0.000) 1.616 22.370 ( 5.131 -0.000 0.000) 5.131 22.420 ( 5.553 -0.000 0.000) 5.553 23.708 ( 2.743 -0.000 0.000) 2.743 23.850 ( -9.723 0.000 0.000) 9.723 23.898 ( 8.214 -0.000 0.000) 8.214 24.015 ( -9.552 0.000 0.000) 9.552 24.148 ( -11.564 0.000 0.000) 11.564 24.426 ( -8.570 0.000 0.000) 8.570 26.315 ( -1.041 0.000 0.000) 1.041 26.335 ( 1.702 -0.000 0.000) 1.702 ======================= Grid point 31 (21/50) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -2.296 1.243 0.000) 2.611 2.545 ( -7.719 -0.068 0.000) 7.719 2.691 ( 9.730 -1.690 0.000) 9.875 2.704 ( 6.467 0.894 0.000) 6.528 3.000 ( -6.185 19.035 0.000) 20.014 3.096 ( 0.445 2.253 0.000) 2.297 3.269 ( -0.122 9.399 0.000) 9.400 3.289 ( 4.725 7.488 0.000) 8.854 3.368 ( -0.373 -2.617 0.000) 2.644 3.417 ( -1.671 15.878 0.000) 15.965 3.481 ( -35.070 8.087 0.000) 35.991 3.635 ( -32.537 -0.449 0.000) 32.540 3.705 ( -41.444 8.881 0.000) 42.384 3.786 ( -5.740 13.884 0.000) 15.024 3.909 ( -17.892 -2.804 0.000) 18.111 3.954 ( -34.013 0.243 0.000) 34.014 4.139 ( 9.991 0.854 0.000) 10.027 4.150 ( -0.852 -9.675 0.000) 9.713 4.386 ( 7.306 4.718 0.000) 8.697 4.593 ( 3.769 -4.012 0.000) 5.504 4.610 ( -5.124 -9.617 0.000) 10.897 4.854 ( -1.417 2.614 0.000) 2.973 4.957 ( -2.949 3.183 0.000) 4.339 5.061 ( -0.655 -1.157 0.000) 1.330 5.189 ( -5.292 4.238 0.000) 6.780 5.213 ( -7.184 0.891 0.000) 7.239 5.274 ( -8.226 -0.124 0.000) 8.227 5.352 ( 12.852 -4.612 0.000) 13.655 5.399 ( -11.222 -6.234 0.000) 12.837 5.736 ( -5.083 6.393 0.000) 8.167 5.800 ( 14.018 6.786 0.000) 15.574 5.876 ( 0.501 11.867 0.000) 11.877 6.019 ( 3.100 -3.743 0.000) 4.860 6.026 ( 4.378 -5.370 0.000) 6.929 6.293 ( 5.345 -0.441 0.000) 5.363 6.323 ( 1.934 -4.710 0.000) 5.092 6.399 ( 3.745 1.877 0.000) 4.189 6.556 ( -5.512 1.357 0.000) 5.676 6.629 ( -1.400 10.939 0.000) 11.028 6.658 ( 4.013 10.737 0.000) 11.462 6.845 ( -2.421 -6.072 0.000) 6.537 6.961 ( 4.742 -3.208 0.000) 5.725 7.082 ( -2.780 -12.120 0.000) 12.434 7.225 ( -1.828 1.013 0.000) 2.090 7.300 ( -5.183 -4.695 0.000) 6.994 7.464 ( 1.054 -3.814 0.000) 3.957 7.644 ( -9.985 1.800 0.000) 10.146 7.725 ( -2.094 -3.770 0.000) 4.313 7.806 ( 8.177 -4.039 0.000) 9.120 7.933 ( 3.885 -0.095 0.000) 3.886 7.963 ( -11.122 0.237 0.000) 11.125 8.271 ( 1.516 -1.098 0.000) 1.872 8.421 ( -4.779 3.848 0.000) 6.136 8.623 ( -1.658 4.946 0.000) 5.217 8.711 ( 4.918 -1.141 0.000) 5.049 9.149 ( 5.236 -1.830 0.000) 5.546 9.196 ( -1.548 6.239 0.000) 6.428 9.370 ( 0.420 -7.050 0.000) 7.062 9.720 ( -11.161 -2.663 0.000) 11.474 10.127 ( -4.094 1.692 0.000) 4.430 10.738 ( 9.501 0.618 0.000) 9.521 10.769 ( 7.217 0.767 0.000) 7.258 10.963 ( -0.181 0.288 0.000) 0.340 11.456 ( 2.784 0.417 0.000) 2.815 11.921 ( 22.533 -0.464 0.000) 22.537 12.066 ( 24.551 -0.537 0.000) 24.557 12.151 ( 21.916 0.159 0.000) 21.916 12.290 ( 23.616 -0.246 0.000) 23.618 12.657 ( -0.188 0.765 0.000) 0.788 12.755 ( -0.275 -3.038 0.000) 3.051 13.254 ( -10.960 -1.509 0.000) 11.064 13.305 ( -0.344 0.704 0.000) 0.784 13.370 ( -1.146 -2.588 0.000) 2.831 13.573 ( -13.490 -2.366 0.000) 13.696 13.621 ( -8.301 -0.047 0.000) 8.301 13.930 ( -8.955 -0.145 0.000) 8.956 14.395 ( 1.802 2.131 0.000) 2.791 14.419 ( 1.627 1.850 0.000) 2.464 14.716 ( 0.242 -0.225 0.000) 0.330 14.725 ( 0.257 -0.223 0.000) 0.341 15.103 ( -1.770 -0.441 0.000) 1.824 15.124 ( -2.615 -0.522 0.000) 2.667 15.715 ( 8.361 1.642 0.000) 8.520 15.739 ( 7.164 1.469 0.000) 7.313 16.101 ( 4.127 -2.707 0.000) 4.936 16.183 ( 4.755 -3.926 0.000) 6.167 17.330 ( 2.541 6.447 0.000) 6.930 17.484 ( 4.145 3.453 0.000) 5.395 17.501 ( 2.003 -1.447 0.000) 2.471 17.755 ( 1.632 0.953 0.000) 1.890 18.854 ( -2.118 -1.230 0.000) 2.450 19.109 ( -3.438 3.064 0.000) 4.605 19.130 ( -3.027 3.439 0.000) 4.582 19.278 ( 5.514 -1.266 0.000) 5.658 20.373 ( -7.058 0.990 0.000) 7.127 20.378 ( -6.641 1.087 0.000) 6.729 21.035 ( 12.955 1.153 0.000) 13.007 21.065 ( 10.776 -0.118 0.000) 10.777 21.088 ( 10.861 0.299 0.000) 10.865 21.133 ( 0.590 -0.052 0.000) 0.592 21.235 ( 3.174 1.970 0.000) 3.736 21.405 ( 7.568 -0.189 0.000) 7.570 21.541 ( 6.358 -1.152 0.000) 6.461 21.744 ( -2.055 -0.021 0.000) 2.055 22.414 ( 2.638 4.319 0.000) 5.061 22.479 ( 3.184 3.123 0.000) 4.460 23.589 ( -6.556 13.256 0.000) 14.789 23.666 ( -11.502 -0.562 0.000) 11.516 23.852 ( -7.385 -3.900 0.000) 8.351 23.962 ( -11.485 -2.509 0.000) 11.755 24.104 ( 6.776 -3.893 0.000) 7.815 24.349 ( -3.282 -4.952 0.000) 5.941 26.318 ( 0.608 -0.947 0.000) 1.126 26.379 ( 2.395 -1.315 0.000) 2.732 ======================= Grid point 32 (22/50) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -14.935 5.193 0.000) 15.812 2.412 ( -8.580 0.109 0.000) 8.581 2.529 ( -5.136 30.968 0.000) 31.391 2.587 ( -16.843 13.223 0.000) 21.413 2.752 ( -7.164 8.325 0.000) 10.982 2.810 ( -32.582 12.161 0.000) 34.778 2.878 ( -0.459 2.086 0.000) 2.135 2.951 ( 1.267 31.921 0.000) 31.946 3.016 ( -21.429 -2.165 0.000) 21.538 3.245 ( -2.646 -1.990 0.000) 3.311 3.253 ( 1.168 4.508 0.000) 4.657 3.376 ( -18.019 2.330 0.000) 18.169 3.409 ( -7.619 2.698 0.000) 8.082 3.409 ( 1.995 -1.224 0.000) 2.340 3.596 ( 0.508 13.496 0.000) 13.506 3.691 ( -11.201 3.304 0.000) 11.678 4.284 ( 7.941 7.943 0.000) 11.232 4.313 ( 3.791 -5.631 0.000) 6.788 4.374 ( -1.010 4.184 0.000) 4.305 4.600 ( 4.236 13.896 0.000) 14.527 4.622 ( -1.196 -6.774 0.000) 6.879 4.860 ( -0.849 7.666 0.000) 7.713 4.883 ( 3.097 1.418 0.000) 3.406 4.973 ( -4.868 8.627 0.000) 9.906 5.026 ( -6.992 9.438 0.000) 11.746 5.171 ( -3.401 -15.587 0.000) 15.954 5.224 ( -2.391 -5.189 0.000) 5.714 5.324 ( -5.812 -8.890 0.000) 10.621 5.505 ( -5.437 12.565 0.000) 13.691 5.596 ( 5.334 -8.619 0.000) 10.136 5.707 ( 0.849 17.139 0.000) 17.160 5.861 ( 7.193 10.949 0.000) 13.100 6.034 ( -1.372 4.349 0.000) 4.560 6.099 ( -3.719 5.194 0.000) 6.388 6.279 ( 3.015 1.108 0.000) 3.212 6.363 ( 3.825 5.074 0.000) 6.354 6.430 ( 1.239 -1.943 0.000) 2.305 6.510 ( -0.460 -0.761 0.000) 0.889 6.557 ( -3.064 -2.810 0.000) 4.157 6.664 ( 3.909 3.138 0.000) 5.012 6.972 ( 4.532 -9.231 0.000) 10.283 7.053 ( 2.418 -0.558 0.000) 2.481 7.089 ( -3.153 5.055 0.000) 5.958 7.194 ( -2.028 -11.904 0.000) 12.076 7.426 ( 2.236 -11.042 0.000) 11.266 7.429 ( -11.134 -2.998 0.000) 11.530 7.521 ( -0.774 -4.962 0.000) 5.022 7.774 ( 0.498 -1.739 0.000) 1.809 7.783 ( -8.203 -1.037 0.000) 8.268 7.983 ( 4.004 5.857 0.000) 7.095 7.988 ( 5.152 -4.143 0.000) 6.611 8.282 ( -1.535 -0.738 0.000) 1.703 8.315 ( -3.971 -1.033 0.000) 4.104 8.530 ( 0.289 7.530 0.000) 7.536 8.772 ( 2.508 1.181 0.000) 2.772 9.102 ( -0.969 4.859 0.000) 4.955 9.276 ( 4.022 -5.598 0.000) 6.893 9.479 ( 2.029 -6.597 0.000) 6.901 9.615 ( -7.501 -6.270 0.000) 9.777 10.036 ( -2.488 4.105 0.000) 4.800 10.842 ( 4.739 1.813 0.000) 5.074 10.858 ( 4.906 1.384 0.000) 5.098 10.948 ( -0.990 0.768 0.000) 1.253 11.487 ( 1.640 0.643 0.000) 1.761 12.309 ( 21.667 -0.855 0.000) 21.684 12.485 ( 16.643 0.624 0.000) 16.655 12.495 ( 24.570 -0.799 0.000) 24.583 12.649 ( 0.427 0.262 0.000) 0.501 12.666 ( 19.558 0.158 0.000) 19.558 12.795 ( -0.886 -4.323 0.000) 4.412 13.060 ( -14.254 -1.912 0.000) 14.382 13.244 ( -10.864 0.552 0.000) 10.878 13.309 ( -5.284 -0.050 0.000) 5.284 13.444 ( -6.969 -6.129 0.000) 9.281 13.467 ( -8.929 0.606 0.000) 8.949 13.800 ( -6.219 -1.653 0.000) 6.435 14.371 ( 0.394 4.513 0.000) 4.530 14.402 ( 0.472 3.612 0.000) 3.643 14.728 ( 0.245 -1.475 0.000) 1.495 14.739 ( 0.351 -1.575 0.000) 1.613 15.096 ( -0.497 -1.123 0.000) 1.228 15.105 ( -1.099 -1.158 0.000) 1.597 15.832 ( 7.235 1.443 0.000) 7.377 15.841 ( 6.269 1.121 0.000) 6.369 16.180 ( 1.255 -1.995 0.000) 2.357 16.298 ( 1.901 -5.273 0.000) 5.605 17.269 ( 1.291 8.161 0.000) 8.263 17.486 ( 2.759 5.748 0.000) 6.376 17.508 ( -0.134 3.031 0.000) 3.034 17.736 ( -0.376 3.546 0.000) 3.566 18.835 ( -2.411 -2.453 0.000) 3.440 19.015 ( -1.645 4.992 0.000) 5.257 19.034 ( -1.559 5.606 0.000) 5.819 19.370 ( 2.671 -2.677 0.000) 3.781 20.257 ( -4.194 1.810 0.000) 4.568 20.270 ( -3.808 1.483 0.000) 4.087 21.137 ( 0.275 0.261 0.000) 0.380 21.217 ( 9.882 1.547 0.000) 10.003 21.235 ( 8.973 0.553 0.000) 8.990 21.251 ( 8.146 0.852 0.000) 8.191 21.280 ( 5.097 2.321 0.000) 5.601 21.509 ( 4.207 -0.147 0.000) 4.210 21.629 ( 1.810 -0.747 0.000) 1.958 21.698 ( -2.726 0.608 0.000) 2.793 22.331 ( -1.236 11.101 0.000) 11.169 22.431 ( -0.124 8.811 0.000) 8.812 23.276 ( -7.764 15.074 0.000) 16.956 23.522 ( -7.189 -3.080 0.000) 7.821 23.761 ( -5.547 -0.172 0.000) 5.549 23.856 ( -6.852 -6.186 0.000) 9.231 24.258 ( 3.561 -6.589 0.000) 7.489 24.413 ( 0.740 -6.578 0.000) 6.619 26.351 ( 0.859 -2.073 0.000) 2.244 26.443 ( 1.802 -2.982 0.000) 3.484 ======================= Grid point 33 (23/50) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -0.000 18.773 0.000) 18.773 2.054 ( -0.000 36.902 0.000) 36.902 2.259 ( -0.000 18.197 0.000) 18.197 2.309 ( -0.000 0.933 0.000) 0.933 2.371 ( -0.000 39.050 0.000) 39.050 2.461 ( -0.000 2.097 0.000) 2.097 2.742 ( -0.000 7.717 0.000) 7.717 2.847 ( 0.000 -2.317 0.000) 2.317 2.878 ( -0.000 3.631 0.000) 3.631 3.103 ( -0.000 4.887 0.000) 4.887 3.251 ( -0.000 17.639 0.000) 17.639 3.269 ( 0.000 -0.940 0.000) 0.940 3.299 ( 0.000 -5.177 0.000) 5.177 3.463 ( -0.000 11.101 0.000) 11.101 3.494 ( 0.000 -3.488 0.000) 3.488 3.519 ( -0.000 1.653 0.000) 1.653 4.087 ( -0.000 30.497 0.000) 30.497 4.284 ( -0.000 5.042 0.000) 5.042 4.370 ( -0.000 4.166 0.000) 4.166 4.499 ( -0.000 8.953 0.000) 8.953 4.670 ( -0.000 9.825 0.000) 9.825 4.726 ( -0.000 11.083 0.000) 11.083 4.780 ( -0.000 12.790 0.000) 12.790 4.816 ( -0.000 9.839 0.000) 9.839 4.935 ( 0.000 -10.532 0.000) 10.532 5.239 ( 0.000 -2.546 0.000) 2.546 5.282 ( -0.000 14.200 0.000) 14.200 5.333 ( 0.000 -9.901 0.000) 9.901 5.442 ( 0.000 -14.789 0.000) 14.789 5.495 ( -0.000 15.159 0.000) 15.159 5.784 ( 0.000 -12.620 0.000) 12.620 5.877 ( -0.000 6.726 0.000) 6.726 5.884 ( -0.000 5.128 0.000) 5.128 5.910 ( -0.000 12.102 0.000) 12.102 6.329 ( 0.000 -1.180 0.000) 1.180 6.332 ( -0.000 2.947 0.000) 2.947 6.501 ( -0.000 4.621 0.000) 4.621 6.509 ( 0.000 -4.555 0.000) 4.555 6.571 ( 0.000 -6.869 0.000) 6.869 6.658 ( 0.000 -0.658 0.000) 0.658 7.012 ( -0.000 6.370 0.000) 6.370 7.077 ( 0.000 -3.569 0.000) 3.569 7.130 ( 0.000 -6.162 0.000) 6.162 7.280 ( 0.000 -7.056 0.000) 7.056 7.414 ( 0.000 -7.539 0.000) 7.539 7.531 ( 0.000 -1.084 0.000) 1.084 7.604 ( 0.000 -8.986 0.000) 8.986 7.736 ( 0.000 -2.311 0.000) 2.311 7.786 ( 0.000 -0.354 0.000) 0.354 7.897 ( -0.000 11.248 0.000) 11.248 8.076 ( 0.000 -3.760 0.000) 3.760 8.284 ( 0.000 -3.266 0.000) 3.266 8.335 ( 0.000 -5.827 0.000) 5.827 8.427 ( -0.000 10.076 0.000) 10.076 8.777 ( -0.000 1.249 0.000) 1.249 9.051 ( -0.000 2.349 0.000) 2.349 9.399 ( 0.000 -7.565 0.000) 7.565 9.588 ( 0.000 -5.079 0.000) 5.079 9.631 ( 0.000 -9.029 0.000) 9.029 9.944 ( -0.000 7.070 0.000) 7.070 10.853 ( -0.000 2.676 0.000) 2.676 10.896 ( -0.000 2.219 0.000) 2.219 10.913 ( -0.000 0.430 0.000) 0.430 11.492 ( -0.000 0.812 0.000) 0.812 12.567 ( -0.000 0.638 0.000) 0.638 12.607 ( 0.000 -0.393 0.000) 0.393 12.694 ( 0.000 -0.749 0.000) 0.749 12.806 ( 0.000 -1.691 0.000) 1.691 12.807 ( -0.000 0.080 0.000) 0.080 12.869 ( 0.000 -0.116 0.000) 0.116 12.922 ( 0.000 -4.050 0.000) 4.050 13.028 ( -0.000 0.012 0.000) 0.012 13.248 ( -0.000 1.445 0.000) 1.445 13.360 ( -0.000 1.536 0.000) 1.536 13.446 ( 0.000 -5.447 0.000) 5.447 13.790 ( 0.000 -4.266 0.000) 4.266 14.309 ( -0.000 5.433 0.000) 5.433 14.354 ( -0.000 4.348 0.000) 4.348 14.761 ( 0.000 -3.146 0.000) 3.146 14.776 ( 0.000 -3.519 0.000) 3.519 15.108 ( 0.000 -1.400 0.000) 1.400 15.111 ( 0.000 -1.381 0.000) 1.381 15.890 ( -0.000 0.804 0.000) 0.804 15.891 ( -0.000 0.728 0.000) 0.728 16.185 ( -0.000 2.430 0.000) 2.430 16.379 ( 0.000 -5.471 0.000) 5.471 17.183 ( -0.000 6.836 0.000) 6.836 17.431 ( -0.000 8.405 0.000) 8.405 17.431 ( -0.000 6.981 0.000) 6.981 17.667 ( -0.000 6.495 0.000) 6.495 18.847 ( 0.000 -2.518 0.000) 2.518 18.938 ( -0.000 4.257 0.000) 4.257 18.944 ( -0.000 6.748 0.000) 6.748 19.436 ( 0.000 -4.333 0.000) 4.333 20.194 ( -0.000 2.583 0.000) 2.583 20.220 ( -0.000 1.448 0.000) 1.448 21.134 ( -0.000 0.547 0.000) 0.547 21.294 ( -0.000 1.187 0.000) 1.187 21.303 ( -0.000 1.234 0.000) 1.234 21.315 ( -0.000 0.896 0.000) 0.896 21.328 ( -0.000 0.902 0.000) 0.902 21.539 ( -0.000 1.254 0.000) 1.254 21.600 ( -0.000 3.389 0.000) 3.389 21.682 ( 0.000 -0.969 0.000) 0.969 22.134 ( -0.000 15.932 0.000) 15.932 22.286 ( -0.000 12.302 0.000) 12.302 23.004 ( -0.000 16.657 0.000) 16.657 23.512 ( 0.000 -4.483 0.000) 4.483 23.707 ( -0.000 0.709 0.000) 0.709 23.892 ( 0.000 -8.437 0.000) 8.437 24.381 ( 0.000 -8.221 0.000) 8.221 24.501 ( 0.000 -5.982 0.000) 5.982 26.391 ( 0.000 -2.816 0.000) 2.816 26.507 ( 0.000 -4.696 0.000) 4.696 ======================= Grid point 40 (24/50) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -5.384 0.000 0.000) 5.384 2.412 ( -8.465 0.000 0.000) 8.465 2.802 ( 2.284 -0.000 0.000) 2.284 2.815 ( 5.512 -0.000 0.000) 5.512 2.824 ( -36.468 0.000 0.000) 36.468 2.916 ( -19.077 0.000 0.000) 19.077 3.005 ( -36.608 0.000 0.000) 36.608 3.071 ( -2.512 0.000 0.000) 2.512 3.242 ( -2.630 0.000 0.000) 2.630 3.324 ( -0.684 0.000 0.000) 0.684 3.329 ( 1.406 -0.000 0.000) 1.406 3.374 ( -22.448 0.000 0.000) 22.448 3.444 ( -0.970 0.000 0.000) 0.970 3.686 ( 1.148 -0.000 0.000) 1.148 3.704 ( -5.247 0.000 0.000) 5.247 3.877 ( -4.382 0.000 0.000) 4.382 4.019 ( 1.374 -0.000 0.000) 1.374 4.356 ( 11.928 -0.000 0.000) 11.928 4.419 ( -7.262 0.000 0.000) 7.262 4.535 ( -0.084 0.000 0.000) 0.084 4.602 ( 7.717 -0.000 0.000) 7.717 4.874 ( 2.514 -0.000 0.000) 2.514 4.971 ( -0.186 0.000 0.000) 0.186 5.046 ( 1.314 -0.000 0.000) 1.314 5.101 ( -5.659 0.000 0.000) 5.659 5.103 ( -7.218 0.000 0.000) 7.218 5.137 ( -10.322 0.000 0.000) 10.322 5.187 ( -6.357 0.000 0.000) 6.357 5.524 ( 8.189 -0.000 0.000) 8.189 5.693 ( -4.464 0.000 0.000) 4.464 5.998 ( 3.514 -0.000 0.000) 3.514 6.052 ( 3.941 -0.000 0.000) 3.941 6.086 ( 2.697 -0.000 0.000) 2.697 6.102 ( 12.118 -0.000 0.000) 12.118 6.293 ( 0.157 -0.000 0.000) 0.157 6.405 ( 5.103 -0.000 0.000) 5.103 6.471 ( -4.748 0.000 0.000) 4.748 6.498 ( 4.773 -0.000 0.000) 4.773 6.715 ( -0.998 0.000 0.000) 0.998 6.764 ( 1.862 -0.000 0.000) 1.862 6.770 ( 0.759 -0.000 0.000) 0.759 6.916 ( -4.621 0.000 0.000) 4.621 7.036 ( 3.431 -0.000 0.000) 3.431 7.159 ( -1.143 0.000 0.000) 1.143 7.206 ( -2.646 0.000 0.000) 2.646 7.385 ( -14.305 0.000 0.000) 14.305 7.437 ( -0.416 0.000 0.000) 0.416 7.750 ( 1.858 -0.000 0.000) 1.858 7.770 ( -10.212 0.000 0.000) 10.212 7.930 ( 8.047 -0.000 0.000) 8.047 8.038 ( 7.833 -0.000 0.000) 7.833 8.280 ( -0.819 0.000 0.000) 0.819 8.334 ( -7.719 0.000 0.000) 7.719 8.629 ( -0.774 0.000 0.000) 0.774 8.784 ( 3.549 -0.000 0.000) 3.549 9.197 ( 2.466 -0.000 0.000) 2.466 9.259 ( -0.399 0.000 0.000) 0.399 9.289 ( 0.345 -0.000 0.000) 0.345 9.544 ( -7.231 0.000 0.000) 7.231 10.088 ( -1.955 0.000 0.000) 1.955 10.866 ( 5.027 -0.000 0.000) 5.027 10.876 ( 4.762 -0.000 0.000) 4.762 10.959 ( -0.672 0.000 0.000) 0.672 11.495 ( 1.551 -0.000 0.000) 1.551 12.297 ( 21.716 -0.000 0.000) 21.716 12.484 ( 24.678 -0.000 0.000) 24.678 12.493 ( 17.317 -0.000 0.000) 17.317 12.656 ( -0.789 0.000 0.000) 0.789 12.667 ( 19.913 -0.000 0.000) 19.913 12.728 ( -0.660 0.000 0.000) 0.660 13.033 ( -13.886 0.000 0.000) 13.886 13.248 ( -13.042 0.000 0.000) 13.042 13.317 ( -3.870 0.000 0.000) 3.870 13.348 ( -5.099 0.000 0.000) 5.099 13.474 ( -8.540 0.000 0.000) 8.540 13.781 ( -7.544 0.000 0.000) 7.544 14.435 ( 1.058 -0.000 0.000) 1.058 14.454 ( 0.949 -0.000 0.000) 0.949 14.711 ( -0.375 0.000 0.000) 0.375 14.722 ( -0.272 0.000 0.000) 0.272 15.082 ( -0.468 0.000 0.000) 0.468 15.091 ( -0.995 0.000 0.000) 0.995 15.851 ( 6.049 -0.000 0.000) 6.049 15.857 ( 5.297 -0.000 0.000) 5.297 16.139 ( 2.239 -0.000 0.000) 2.239 16.223 ( 2.635 -0.000 0.000) 2.635 17.413 ( 1.530 -0.000 0.000) 1.530 17.511 ( 0.776 -0.000 0.000) 0.776 17.563 ( 2.513 -0.000 0.000) 2.513 17.777 ( 0.263 -0.000 0.000) 0.263 18.807 ( -2.230 0.000 0.000) 2.230 19.083 ( -1.814 0.000 0.000) 1.814 19.113 ( -1.571 0.000 0.000) 1.571 19.335 ( 2.346 -0.000 0.000) 2.346 20.278 ( -4.392 0.000 0.000) 4.392 20.289 ( -4.156 0.000 0.000) 4.156 21.139 ( 0.273 -0.000 0.000) 0.273 21.236 ( 9.211 -0.000 0.000) 9.211 21.242 ( 9.217 -0.000 0.000) 9.217 21.260 ( 8.114 -0.000 0.000) 8.114 21.309 ( 3.716 -0.000 0.000) 3.716 21.505 ( 4.230 -0.000 0.000) 4.230 21.617 ( 3.158 -0.000 0.000) 3.158 21.709 ( -2.207 0.000 0.000) 2.207 22.485 ( 1.655 -0.000 0.000) 1.655 22.546 ( 1.877 -0.000 0.000) 1.877 23.480 ( -8.803 0.000 0.000) 8.803 23.569 ( -9.615 0.000 0.000) 9.615 23.668 ( -3.943 0.000 0.000) 3.943 23.771 ( -8.027 0.000 0.000) 8.027 24.208 ( 5.082 -0.000 0.000) 5.082 24.285 ( 0.037 -0.000 0.000) 0.037 26.324 ( 0.686 -0.000 0.000) 0.686 26.405 ( 1.570 -0.000 0.000) 1.570 ======================= Grid point 42 (25/50) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -0.000 8.377 0.000) 8.377 2.320 ( -0.000 0.387 0.000) 0.387 2.517 ( -0.000 2.182 0.000) 2.182 2.610 ( -0.000 8.678 0.000) 8.678 2.752 ( 0.000 -4.242 0.000) 4.242 2.827 ( -0.000 13.392 0.000) 13.392 2.834 ( -0.000 3.174 0.000) 3.174 2.934 ( -0.000 9.965 0.000) 9.965 3.138 ( 0.000 -0.830 0.000) 0.830 3.200 ( -0.000 3.327 0.000) 3.327 3.354 ( -0.000 2.362 0.000) 2.362 3.367 ( -0.000 2.335 0.000) 2.335 3.395 ( -0.000 2.370 0.000) 2.370 3.470 ( -0.000 24.991 0.000) 24.991 3.638 ( -0.000 3.268 0.000) 3.268 3.767 ( -0.000 11.078 0.000) 11.078 4.174 ( 0.000 -18.406 0.000) 18.406 4.346 ( -0.000 0.843 0.000) 0.843 4.448 ( -0.000 4.373 0.000) 4.373 4.630 ( -0.000 4.249 0.000) 4.249 4.677 ( 0.000 -12.779 0.000) 12.779 4.945 ( -0.000 6.402 0.000) 6.402 4.951 ( 0.000 -4.709 0.000) 4.709 4.976 ( -0.000 0.375 0.000) 0.375 4.999 ( -0.000 3.797 0.000) 3.797 5.017 ( -0.000 5.088 0.000) 5.088 5.149 ( 0.000 -9.814 0.000) 9.814 5.156 ( 0.000 -3.477 0.000) 3.477 5.594 ( -0.000 8.778 0.000) 8.778 5.596 ( 0.000 -0.949 0.000) 0.949 5.937 ( -0.000 14.885 0.000) 14.885 6.049 ( -0.000 5.561 0.000) 5.561 6.076 ( -0.000 3.316 0.000) 3.316 6.168 ( -0.000 9.326 0.000) 9.326 6.345 ( 0.000 -7.169 0.000) 7.169 6.377 ( -0.000 7.401 0.000) 7.401 6.448 ( 0.000 -3.958 0.000) 3.958 6.487 ( -0.000 4.539 0.000) 4.539 6.596 ( -0.000 12.474 0.000) 12.474 6.753 ( -0.000 3.545 0.000) 3.545 6.929 ( 0.000 -9.878 0.000) 9.878 6.964 ( 0.000 -16.075 0.000) 16.075 7.043 ( 0.000 -0.068 0.000) 0.068 7.173 ( -0.000 5.576 0.000) 5.576 7.259 ( 0.000 -14.746 0.000) 14.746 7.269 ( 0.000 -3.342 0.000) 3.342 7.461 ( 0.000 -3.750 0.000) 3.750 7.680 ( 0.000 -1.553 0.000) 1.553 7.768 ( 0.000 -0.637 0.000) 0.637 8.017 ( 0.000 -1.025 0.000) 1.025 8.118 ( -0.000 5.380 0.000) 5.380 8.235 ( 0.000 -2.054 0.000) 2.054 8.259 ( -0.000 0.050 0.000) 0.050 8.604 ( -0.000 3.615 0.000) 3.615 8.809 ( -0.000 0.874 0.000) 0.874 9.170 ( -0.000 7.273 0.000) 7.273 9.243 ( 0.000 -3.954 0.000) 3.954 9.395 ( 0.000 -9.646 0.000) 9.646 9.493 ( 0.000 -2.128 0.000) 2.128 10.058 ( -0.000 2.300 0.000) 2.300 10.902 ( -0.000 1.066 0.000) 1.066 10.926 ( -0.000 0.391 0.000) 0.391 10.936 ( -0.000 0.909 0.000) 0.909 11.506 ( -0.000 0.302 0.000) 0.302 12.587 ( -0.000 0.890 0.000) 0.890 12.597 ( 0.000 -0.318 0.000) 0.318 12.683 ( 0.000 -0.161 0.000) 0.161 12.719 ( 0.000 -3.297 0.000) 3.297 12.804 ( 0.000 -0.140 0.000) 0.140 12.866 ( 0.000 -0.996 0.000) 0.996 12.870 ( -0.000 0.099 0.000) 0.099 13.010 ( 0.000 -0.744 0.000) 0.744 13.259 ( 0.000 -0.301 0.000) 0.301 13.341 ( 0.000 -2.316 0.000) 2.316 13.384 ( -0.000 0.410 0.000) 0.410 13.720 ( 0.000 -1.360 0.000) 1.360 14.424 ( -0.000 3.035 0.000) 3.035 14.447 ( -0.000 2.442 0.000) 2.442 14.713 ( 0.000 -0.940 0.000) 0.940 14.725 ( 0.000 -0.929 0.000) 0.929 15.082 ( 0.000 -0.562 0.000) 0.562 15.086 ( 0.000 -0.551 0.000) 0.551 15.903 ( -0.000 0.239 0.000) 0.239 15.904 ( -0.000 0.272 0.000) 0.272 16.169 ( 0.000 -1.550 0.000) 1.550 16.264 ( 0.000 -2.871 0.000) 2.871 17.376 ( -0.000 6.715 0.000) 6.715 17.526 ( 0.000 -0.275 0.000) 0.275 17.565 ( -0.000 3.098 0.000) 3.098 17.767 ( -0.000 1.791 0.000) 1.791 18.792 ( 0.000 -1.005 0.000) 1.005 19.050 ( -0.000 2.836 0.000) 2.836 19.078 ( -0.000 3.365 0.000) 3.365 19.364 ( 0.000 -1.604 0.000) 1.604 20.236 ( -0.000 0.792 0.000) 0.792 20.249 ( -0.000 0.661 0.000) 0.661 21.141 ( -0.000 0.118 0.000) 0.118 21.316 ( -0.000 0.508 0.000) 0.508 21.327 ( -0.000 0.541 0.000) 0.541 21.331 ( -0.000 0.318 0.000) 0.318 21.343 ( -0.000 0.318 0.000) 0.318 21.543 ( 0.000 -0.249 0.000) 0.249 21.642 ( -0.000 0.120 0.000) 0.120 21.680 ( -0.000 0.680 0.000) 0.680 22.448 ( -0.000 7.780 0.000) 7.780 22.527 ( -0.000 5.583 0.000) 5.583 23.382 ( -0.000 12.724 0.000) 12.724 23.417 ( 0.000 -2.515 0.000) 2.515 23.678 ( 0.000 -4.369 0.000) 4.369 23.726 ( 0.000 -4.056 0.000) 4.056 24.245 ( 0.000 -1.078 0.000) 1.078 24.341 ( 0.000 -6.124 0.000) 6.124 26.338 ( 0.000 -1.191 0.000) 1.191 26.429 ( 0.000 -1.604 0.000) 1.604 ======================= Grid point 83 (26/50) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 0.000 0.000 20.932) 20.932 0.556 ( 0.000 0.000 25.463) 25.463 0.823 ( 0.000 0.000 -17.959) 17.959 0.976 ( 0.000 0.000 -15.329) 15.329 1.160 ( 0.000 0.000 54.374) 54.374 2.082 ( 0.000 0.000 -34.219) 34.219 2.105 ( 0.000 0.000 7.974) 7.974 2.189 ( 0.000 0.000 -1.315) 1.315 2.330 ( 0.000 0.000 3.685) 3.685 2.437 ( 0.000 0.000 -5.117) 5.117 3.017 ( 0.000 0.000 6.436) 6.436 3.051 ( 0.000 0.000 12.138) 12.138 3.231 ( 0.000 0.000 -14.445) 14.445 3.393 ( 0.000 0.000 -20.301) 20.301 3.514 ( 0.000 0.000 2.289) 2.289 3.538 ( 0.000 0.000 1.798) 1.798 3.614 ( 0.000 0.000 3.166) 3.166 3.649 ( 0.000 0.000 -2.002) 2.002 3.948 ( 0.000 0.000 -1.136) 1.136 3.960 ( 0.000 0.000 -2.529) 2.529 4.116 ( 0.000 0.000 8.136) 8.136 4.241 ( 0.000 0.000 -5.056) 5.056 4.302 ( 0.000 0.000 4.410) 4.410 4.361 ( 0.000 0.000 -0.787) 0.787 4.771 ( 0.000 0.000 8.277) 8.277 4.895 ( 0.000 0.000 -3.899) 3.899 5.303 ( 0.000 0.000 2.727) 2.727 5.349 ( 0.000 0.000 -1.573) 1.573 5.785 ( 0.000 0.000 5.606) 5.606 5.787 ( 0.000 0.000 4.214) 4.214 5.823 ( 0.000 0.000 -1.696) 1.696 5.827 ( 0.000 0.000 9.260) 9.260 5.928 ( 0.000 0.000 -7.287) 7.287 6.050 ( 0.000 0.000 -8.841) 8.841 6.274 ( 0.000 0.000 1.547) 1.547 6.281 ( 0.000 0.000 0.431) 0.431 6.656 ( 0.000 0.000 1.864) 1.864 6.698 ( 0.000 0.000 -1.751) 1.751 6.726 ( 0.000 0.000 4.944) 4.944 6.838 ( 0.000 0.000 -5.226) 5.226 7.215 ( 0.000 0.000 3.797) 3.797 7.285 ( 0.000 0.000 -2.634) 2.634 7.431 ( 0.000 0.000 2.196) 2.196 7.472 ( 0.000 0.000 -1.349) 1.349 7.535 ( 0.000 0.000 2.270) 2.270 7.539 ( 0.000 0.000 1.562) 1.562 7.615 ( 0.000 0.000 -5.853) 5.853 7.620 ( 0.000 0.000 -6.627) 6.627 7.806 ( 0.000 0.000 1.824) 1.824 7.830 ( 0.000 0.000 -0.642) 0.642 8.032 ( 0.000 0.000 11.401) 11.401 8.239 ( 0.000 0.000 -8.498) 8.498 8.517 ( 0.000 0.000 0.254) 0.254 8.523 ( 0.000 0.000 -0.333) 0.333 8.743 ( 0.000 0.000 0.206) 0.206 8.754 ( 0.000 0.000 -0.718) 0.718 8.856 ( 0.000 0.000 5.795) 5.795 8.976 ( 0.000 0.000 -5.354) 5.354 9.832 ( 0.000 0.000 5.841) 5.841 9.956 ( 0.000 0.000 -5.456) 5.456 10.702 ( 0.000 0.000 1.876) 1.876 10.739 ( 0.000 0.000 -1.507) 1.507 11.059 ( 0.000 0.000 6.372) 6.372 11.192 ( 0.000 0.000 -5.714) 5.714 12.546 ( 0.000 0.000 0.597) 0.597 12.558 ( 0.000 0.000 -0.460) 0.460 12.635 ( 0.000 0.000 2.127) 2.127 12.693 ( 0.000 0.000 -3.368) 3.368 12.833 ( 0.000 0.000 2.770) 2.770 12.834 ( 0.000 0.000 0.013) 0.013 12.835 ( 0.000 0.000 -0.128) 0.128 12.877 ( 0.000 0.000 -1.521) 1.521 13.610 ( 0.000 0.000 1.003) 1.003 13.632 ( 0.000 0.000 -1.009) 1.009 13.790 ( 0.000 0.000 1.457) 1.457 13.823 ( 0.000 0.000 -1.603) 1.603 14.198 ( 0.000 0.000 2.110) 2.110 14.244 ( 0.000 0.000 -2.038) 2.038 14.784 ( 0.000 0.000 1.039) 1.039 14.807 ( 0.000 0.000 -0.984) 0.984 15.195 ( 0.000 0.000 0.073) 0.073 15.196 ( 0.000 0.000 -0.073) 0.073 15.830 ( 0.000 0.000 0.119) 0.119 15.832 ( 0.000 0.000 -0.119) 0.119 15.950 ( 0.000 0.000 0.681) 0.681 15.966 ( 0.000 0.000 -0.703) 0.703 16.469 ( 0.000 0.000 0.638) 0.638 16.482 ( 0.000 0.000 -0.602) 0.602 17.439 ( 0.000 0.000 0.817) 0.817 17.457 ( 0.000 0.000 -0.803) 0.803 18.554 ( 0.000 0.000 0.322) 0.322 18.562 ( 0.000 0.000 -0.322) 0.322 19.705 ( 0.000 0.000 2.026) 2.026 19.750 ( 0.000 0.000 -2.062) 2.062 20.569 ( 0.000 0.000 0.704) 0.704 20.585 ( 0.000 0.000 -0.719) 0.719 21.020 ( 0.000 0.000 1.118) 1.118 21.049 ( 0.000 0.000 -1.653) 1.653 21.146 ( 0.000 0.000 1.784) 1.784 21.178 ( 0.000 0.000 -1.239) 1.239 21.226 ( 0.000 0.000 0.160) 0.160 21.230 ( 0.000 0.000 -0.229) 0.229 21.261 ( 0.000 0.000 0.319) 0.319 21.267 ( 0.000 0.000 -0.250) 0.250 21.842 ( 0.000 0.000 0.666) 0.666 21.861 ( 0.000 0.000 -1.040) 1.040 22.050 ( 0.000 0.000 2.193) 2.193 22.093 ( 0.000 0.000 -1.767) 1.767 24.398 ( 0.000 0.000 2.015) 2.015 24.456 ( 0.000 0.000 -3.588) 3.588 24.658 ( 0.000 0.000 4.569) 4.569 24.738 ( 0.000 0.000 -3.009) 3.009 27.007 ( 0.000 0.000 0.402) 0.402 27.015 ( 0.000 0.000 -0.390) 0.390 ======================= Grid point 84 (27/50) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 14.354 -12.238 20.942) 28.184 1.206 ( 11.620 -15.690 -15.729) 25.072 1.314 ( 24.090 -13.855 30.308) 41.120 1.508 ( 57.846 -13.672 14.535) 61.191 1.598 ( 60.247 -5.684 -10.320) 61.388 2.047 ( 6.112 5.872 -21.076) 22.717 2.291 ( 14.637 -3.882 9.425) 17.836 2.446 ( 17.539 -3.654 -5.767) 18.821 2.571 ( 22.640 -3.387 1.636) 22.951 2.608 ( 20.431 -4.735 -2.126) 21.080 3.073 ( 1.880 -4.361 0.777) 4.813 3.098 ( 4.213 3.303 6.090) 8.108 3.249 ( 8.711 5.725 -6.668) 12.374 3.417 ( 0.502 6.549 0.587) 6.594 3.446 ( 1.369 8.557 -0.759) 8.698 3.489 ( 6.304 0.124 -11.542) 13.152 3.599 ( 1.097 2.515 0.875) 2.880 3.714 ( -3.700 1.839 -5.018) 6.501 3.869 ( -0.897 -14.622 4.068) 15.203 3.931 ( -3.947 -12.123 -1.090) 12.796 4.237 ( 8.113 -4.388 5.404) 10.690 4.339 ( 7.656 -3.627 -4.725) 9.701 4.430 ( 8.575 -3.180 5.229) 10.535 4.479 ( 8.184 -4.934 0.110) 9.557 4.631 ( -5.031 5.124 6.404) 9.621 4.721 ( -3.733 0.075 -2.717) 4.618 5.437 ( 4.242 3.004 1.047) 5.302 5.468 ( 7.770 1.068 -1.719) 8.029 5.653 ( -2.786 3.037 1.762) 4.482 5.670 ( -4.595 5.354 3.289) 7.784 5.777 ( -1.210 4.950 6.456) 8.225 5.940 ( -2.587 4.184 -6.550) 8.192 5.986 ( 6.654 -4.137 2.164) 8.128 6.075 ( 4.290 -3.002 -4.861) 7.144 6.198 ( -1.852 -0.079 5.744) 6.035 6.319 ( 0.850 -2.327 -6.035) 6.523 6.701 ( 5.276 0.838 2.878) 6.068 6.757 ( 4.502 -0.810 -2.423) 5.176 6.860 ( 11.541 3.912 6.094) 13.625 6.968 ( 5.222 5.484 -3.710) 8.432 7.105 ( -11.937 0.747 4.490) 12.775 7.185 ( -4.414 -3.649 -3.240) 6.580 7.250 ( -6.129 -3.597 5.839) 9.198 7.393 ( -6.544 0.748 -7.545) 10.015 7.534 ( 5.739 3.914 0.840) 6.997 7.542 ( 4.136 3.021 -0.473) 5.143 7.595 ( 1.797 -1.389 2.109) 3.099 7.667 ( 0.794 -1.029 -3.978) 4.185 7.844 ( 3.875 7.953 5.275) 10.300 7.939 ( 13.739 14.258 -4.500) 20.305 8.147 ( 14.074 12.707 4.534) 19.496 8.259 ( 5.028 8.874 -5.691) 11.680 8.674 ( -1.048 1.074 0.096) 1.503 8.693 ( -0.760 -0.347 -1.676) 1.872 8.805 ( -3.552 -2.929 6.457) 7.930 8.885 ( 6.697 -24.037 8.017) 26.209 8.950 ( -2.347 -1.051 -6.699) 7.175 9.125 ( 2.422 -30.257 -15.395) 34.035 9.809 ( -0.823 1.131 9.813) 9.912 10.103 ( 13.806 3.468 -21.318) 25.634 10.686 ( -2.719 -0.898 1.617) 3.288 10.718 ( -3.231 -0.918 -1.321) 3.610 11.042 ( -0.851 0.778 6.837) 6.934 11.202 ( -0.903 -2.301 -8.397) 8.753 12.319 ( -19.547 -1.211 1.317) 19.629 12.348 ( -18.811 -2.395 -1.355) 19.011 12.485 ( -21.329 -1.193 1.287) 21.401 12.519 ( -19.323 -2.128 -2.105) 19.554 12.788 ( 3.333 1.142 3.327) 4.846 12.831 ( 5.101 -0.192 -1.369) 5.285 13.069 ( 11.088 -0.206 1.310) 11.167 13.096 ( 10.544 -0.879 -1.047) 10.632 13.390 ( -5.139 4.722 15.462) 16.964 13.564 ( 0.207 3.854 -3.288) 5.070 13.803 ( 5.081 1.969 1.404) 5.627 13.866 ( 2.419 -1.537 -4.248) 5.124 14.181 ( 0.468 0.994 2.474) 2.707 14.235 ( 1.420 1.355 -2.638) 3.288 14.789 ( -4.697 -7.173 3.090) 9.113 14.851 ( -8.049 -8.688 -2.767) 12.163 15.229 ( 3.828 0.378 0.552) 3.886 15.240 ( 4.499 0.295 -0.449) 4.531 15.724 ( -4.135 2.028 3.073) 5.537 15.776 ( -4.515 0.030 -1.953) 4.919 15.927 ( 0.189 3.577 6.091) 7.066 16.136 ( -1.835 -2.520 -14.673) 15.000 16.662 ( 11.274 -10.433 2.439) 15.553 16.751 ( 15.542 -13.419 -8.190) 22.106 17.351 ( -4.212 3.341 4.178) 6.809 17.401 ( -3.082 3.352 -1.459) 4.781 18.587 ( 2.221 -2.126 0.321) 3.092 18.594 ( 2.268 -2.072 -0.321) 3.089 19.698 ( 2.439 12.438 5.856) 13.962 19.779 ( 5.941 6.484 -2.982) 9.286 20.085 ( -15.131 0.276 14.002) 20.617 20.287 ( -19.922 6.303 -6.010) 21.743 20.758 ( -7.979 -7.526 0.866) 11.003 20.776 ( -11.390 -9.184 -0.781) 14.652 20.972 ( -11.611 -3.086 2.466) 12.264 21.047 ( -9.222 -2.831 -5.069) 10.897 21.315 ( 2.254 0.946 5.410) 5.937 21.387 ( 7.642 -0.249 -1.980) 7.898 21.639 ( 12.798 -0.391 1.926) 12.948 21.679 ( 14.904 1.301 -1.596) 15.046 21.825 ( -0.456 2.120 0.150) 2.174 21.837 ( 0.922 1.238 -0.732) 1.708 22.408 ( 29.459 -8.337 13.037) 33.276 22.867 ( 32.613 -15.085 -35.705) 50.655 24.365 ( -2.922 9.869 7.976) 13.021 24.396 ( 2.306 4.351 1.191) 5.066 24.587 ( -3.507 -0.815 2.624) 4.455 24.689 ( -6.381 -1.645 -5.652) 8.681 26.751 ( -11.038 8.104 11.595) 17.943 26.881 ( -8.241 5.769 -2.880) 10.463 ======================= Grid point 85 (28/50) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 20.037 -8.049 10.956) 24.214 1.562 ( 12.476 -3.612 -18.851) 22.893 1.909 ( 17.238 -29.331 18.079) 38.527 2.085 ( 13.142 -3.975 1.201) 13.782 2.486 ( 15.228 -2.396 3.178) 15.740 2.548 ( 20.446 -1.900 -2.299) 20.663 2.852 ( 43.783 -4.956 2.355) 44.126 2.867 ( 51.988 -4.298 0.199) 52.165 2.937 ( 10.747 9.065 -1.344) 14.124 3.059 ( 12.813 -6.914 -8.885) 17.056 3.157 ( 19.865 -0.778 2.883) 20.088 3.197 ( 16.002 -1.590 -1.548) 16.155 3.387 ( 5.416 0.814 1.781) 5.759 3.413 ( 1.090 2.006 -0.891) 2.451 3.487 ( 11.146 0.738 2.014) 11.351 3.502 ( 1.813 1.572 2.886) 3.753 3.606 ( 11.243 2.139 -0.664) 11.464 3.825 ( 14.198 -4.988 -19.269) 24.449 4.102 ( 7.177 -11.316 0.031) 13.401 4.126 ( 6.325 -10.918 -1.751) 12.738 4.421 ( 5.407 -4.295 7.773) 10.397 4.533 ( 8.638 -6.254 -2.997) 11.078 4.580 ( 4.757 -5.751 8.724) 11.481 4.691 ( 12.063 -2.246 4.222) 12.977 4.699 ( 5.993 -11.187 -2.768) 12.989 4.805 ( 9.653 -4.797 -5.944) 12.309 5.350 ( -9.785 -1.549 5.167) 11.173 5.412 ( -6.866 3.838 1.078) 7.940 5.619 ( 2.773 7.263 2.062) 8.043 5.674 ( 6.398 6.935 -1.042) 9.493 5.733 ( 6.880 4.166 2.846) 8.531 5.828 ( -0.217 3.552 -5.262) 6.352 6.116 ( 1.852 -4.371 3.413) 5.847 6.148 ( -2.189 -1.867 3.790) 4.759 6.216 ( 5.127 0.821 -0.523) 5.219 6.356 ( 3.108 3.410 -11.245) 12.155 6.720 ( 0.762 5.866 3.884) 7.077 6.791 ( 0.770 3.960 -3.342) 5.239 6.855 ( -2.576 3.629 4.666) 6.448 6.927 ( -5.216 -1.286 -1.915) 5.703 7.068 ( 5.418 0.187 8.819) 10.352 7.186 ( -0.097 -1.887 -1.822) 2.624 7.273 ( -0.090 -5.913 -1.732) 6.162 7.312 ( -3.638 -1.406 -4.741) 6.139 7.557 ( 3.220 7.552 2.197) 8.499 7.593 ( 5.765 3.628 -0.430) 6.825 7.603 ( -1.775 -0.565 1.577) 2.441 7.687 ( 0.464 0.424 -2.894) 2.962 7.803 ( -0.376 1.419 8.140) 8.271 7.984 ( 2.153 -0.037 -8.697) 8.960 8.189 ( 8.460 8.649 2.011) 12.264 8.230 ( 5.184 8.132 -2.069) 9.863 8.624 ( -1.637 2.153 -0.117) 2.708 8.632 ( -1.848 3.540 -0.628) 4.042 8.707 ( -5.919 1.752 7.886) 10.015 8.888 ( -4.273 1.368 -8.924) 9.989 9.234 ( -0.768 -12.668 5.200) 13.716 9.344 ( -1.701 -10.870 -4.994) 12.082 9.846 ( 5.581 -3.052 15.680) 16.921 10.203 ( 6.255 6.299 -17.220) 19.373 10.631 ( -5.519 -1.357 1.099) 5.789 10.653 ( -6.222 -1.436 -0.819) 6.438 11.026 ( -0.169 0.138 7.189) 7.192 11.212 ( -1.244 -2.171 -9.905) 10.216 11.974 ( -21.619 -0.662 2.004) 21.722 12.023 ( -21.675 -1.411 -2.711) 21.890 12.142 ( -21.618 -2.063 3.200) 21.951 12.215 ( -21.055 -2.466 -4.170) 21.605 12.751 ( -2.033 1.995 6.909) 7.473 12.852 ( -1.113 0.443 -3.292) 3.503 13.219 ( 5.357 -1.944 1.970) 6.030 13.265 ( 6.600 -3.330 -2.157) 7.701 13.417 ( 5.732 -1.986 9.899) 11.610 13.591 ( 5.346 0.127 -5.764) 7.863 13.898 ( 7.342 0.432 0.766) 7.395 13.940 ( 5.043 0.146 -3.448) 6.111 14.202 ( 1.851 -0.586 2.806) 3.413 14.253 ( 2.145 0.878 -2.051) 3.095 14.766 ( -5.339 -3.618 1.450) 6.610 14.794 ( -6.335 -3.178 -1.115) 7.175 15.271 ( 2.247 2.677 1.010) 3.638 15.293 ( 3.241 3.047 -0.945) 4.547 15.620 ( -3.996 3.820 2.407) 6.030 15.675 ( -4.735 4.011 -2.878) 6.841 15.919 ( -2.427 -7.430 8.026) 11.203 16.105 ( -7.057 -8.731 -9.034) 14.410 16.981 ( 9.484 -8.698 4.077) 13.499 17.092 ( 8.129 -6.204 -6.460) 12.096 17.278 ( -0.598 1.517 2.346) 2.857 17.324 ( -0.131 0.427 -2.187) 2.232 18.676 ( 3.814 -3.703 0.371) 5.329 18.684 ( 4.021 -3.646 -0.375) 5.441 19.494 ( -3.294 12.998 7.162) 15.202 19.634 ( -7.090 12.095 -5.854) 15.193 20.119 ( 5.534 -5.976 3.039) 8.693 20.178 ( 4.450 -4.782 -2.366) 6.948 20.720 ( -7.873 -7.095 0.983) 10.644 20.746 ( -5.799 -7.290 -1.464) 9.430 20.874 ( -4.971 -3.672 3.248) 6.982 20.962 ( -4.210 -1.445 -5.718) 7.246 21.290 ( -2.591 1.293 8.147) 8.646 21.409 ( -3.404 1.414 -3.570) 5.132 21.752 ( -2.136 1.893 0.755) 2.952 21.779 ( 1.910 2.017 -1.664) 3.238 21.885 ( 9.867 -3.655 2.605) 10.840 21.940 ( 7.982 -4.857 -2.495) 9.671 22.942 ( 22.374 -3.659 13.376) 26.323 23.323 ( 13.718 -2.347 -23.736) 27.515 24.199 ( -4.012 5.087 13.436) 14.917 24.361 ( 0.490 5.255 -3.303) 6.226 24.553 ( -2.094 -0.519 1.493) 2.623 24.630 ( -0.421 1.197 -5.304) 5.454 26.543 ( -6.436 3.591 7.148) 10.267 26.662 ( -8.462 5.202 -4.050) 10.727 ======================= Grid point 86 (29/50) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 19.019 -7.522 -3.039) 20.676 1.756 ( 13.207 3.273 -9.919) 16.838 2.399 ( 9.876 -10.566 7.880) 16.471 2.517 ( 12.803 -20.271 1.170) 24.004 2.638 ( 4.777 1.822 6.010) 7.890 2.695 ( 5.515 2.010 -1.347) 6.023 2.830 ( 1.961 6.138 7.667) 10.015 3.062 ( 2.999 7.459 -4.115) 9.032 3.284 ( 1.994 -2.187 0.781) 3.061 3.289 ( 1.473 0.147 0.851) 1.708 3.363 ( -1.096 1.981 0.041) 2.264 3.424 ( 2.244 -1.752 -1.768) 3.351 3.653 ( 9.633 -3.226 2.312) 10.419 3.669 ( 10.650 -3.878 0.923) 11.372 3.783 ( 19.734 0.396 0.369) 19.741 3.935 ( 20.879 -3.041 -12.342) 24.444 3.980 ( 42.321 -6.611 4.237) 43.043 4.114 ( 22.324 -7.122 -9.275) 25.202 4.375 ( 15.710 -3.117 1.165) 16.059 4.431 ( 16.738 -3.229 -4.006) 17.511 4.681 ( 12.631 -9.957 6.431) 17.322 4.749 ( 6.540 -8.249 -0.028) 10.527 4.792 ( 9.248 -5.392 6.186) 12.364 4.899 ( 9.099 -0.276 7.650) 11.891 4.940 ( 6.062 -11.487 -8.452) 15.496 5.059 ( 9.234 -5.459 -6.395) 12.489 5.264 ( -0.965 -5.088 4.850) 7.095 5.310 ( -1.915 -2.208 0.293) 2.937 5.577 ( 3.400 5.279 -0.186) 6.282 5.610 ( 2.335 6.004 -2.485) 6.905 5.864 ( 9.058 0.551 1.627) 9.219 5.895 ( 7.459 0.649 -0.800) 7.530 6.071 ( -5.077 4.592 3.879) 7.868 6.126 ( -6.471 -0.318 0.593) 6.506 6.246 ( 1.628 3.555 1.318) 4.126 6.349 ( 3.013 4.636 -7.602) 9.400 6.617 ( -1.553 6.363 4.951) 8.211 6.696 ( -4.960 1.216 -1.060) 5.215 6.790 ( 0.180 5.483 2.545) 6.048 6.898 ( -0.787 -0.405 -4.580) 4.665 7.119 ( 0.461 2.014 6.938) 7.240 7.171 ( -5.891 -0.155 3.766) 6.994 7.253 ( -4.998 -1.632 -2.771) 5.943 7.350 ( -1.193 -2.179 -7.010) 7.437 7.486 ( 1.312 5.901 0.502) 6.066 7.517 ( -1.976 4.798 -2.178) 5.628 7.618 ( 0.117 -0.753 4.415) 4.480 7.706 ( -0.736 -4.633 -3.709) 5.980 7.824 ( 1.410 -1.140 7.334) 7.555 7.980 ( -1.560 1.724 -7.669) 8.013 8.233 ( 4.603 3.278 3.421) 6.605 8.275 ( 7.552 1.316 -1.297) 7.774 8.538 ( -3.366 3.714 3.515) 6.122 8.583 ( -1.555 0.409 -0.964) 1.875 8.620 ( -1.012 2.056 3.813) 4.449 8.782 ( -5.795 1.081 -10.649) 12.172 9.236 ( -4.857 -1.229 9.856) 11.056 9.406 ( -0.870 -3.045 -6.623) 7.341 10.032 ( 9.049 -4.159 8.854) 13.326 10.220 ( 5.145 4.467 -8.058) 10.553 10.536 ( -7.809 -1.459 0.783) 7.983 10.552 ( -7.955 -1.725 -0.271) 8.144 11.029 ( 0.204 -0.263 7.439) 7.446 11.215 ( -1.176 -1.447 -9.278) 9.464 11.646 ( -17.018 -0.214 2.197) 17.161 11.702 ( -16.703 -0.578 -3.089) 16.996 11.819 ( -18.031 -0.848 3.363) 18.362 11.891 ( -18.741 -0.897 -3.509) 19.087 12.712 ( -0.798 0.503 6.029) 6.102 12.829 ( -1.168 -0.553 -4.962) 5.127 13.305 ( 1.916 -2.388 4.223) 5.216 13.389 ( 2.753 -3.844 -3.495) 5.880 13.548 ( 5.815 -1.734 6.594) 8.961 13.691 ( 4.751 -0.921 -6.221) 7.881 14.007 ( 4.513 -0.148 0.594) 4.554 14.028 ( 6.503 0.972 -1.336) 6.710 14.243 ( 1.581 -1.064 2.094) 2.831 14.279 ( 1.315 -0.235 -1.315) 1.874 14.723 ( -3.026 -1.192 0.647) 3.316 14.736 ( -3.373 -0.912 -0.562) 3.539 15.233 ( -1.468 3.553 1.396) 4.090 15.265 ( -0.803 3.987 -1.483) 4.329 15.511 ( -2.849 3.652 1.695) 4.932 15.548 ( -3.399 4.061 -1.746) 5.576 16.014 ( -0.544 -10.103 5.892) 11.708 16.141 ( -3.551 -10.564 -5.591) 12.469 17.090 ( 0.103 1.769 2.610) 3.155 17.149 ( -0.641 3.030 -2.912) 4.251 17.340 ( 5.319 -5.310 4.611) 8.817 17.448 ( 5.295 -6.182 -5.342) 9.736 18.801 ( 4.614 -4.858 0.611) 6.728 18.815 ( 5.229 -4.749 -0.655) 7.094 19.293 ( -3.920 9.779 3.909) 11.237 19.376 ( -7.517 8.669 -3.633) 12.035 20.301 ( 7.157 -4.238 1.946) 8.543 20.346 ( 7.415 -2.489 -2.111) 8.101 20.679 ( -5.009 -4.027 2.859) 7.034 20.757 ( -2.218 -5.230 -4.553) 7.281 20.884 ( 0.712 -3.265 2.011) 3.900 20.933 ( -0.697 -0.588 -3.217) 3.344 21.218 ( -4.457 0.470 5.279) 6.925 21.284 ( -8.251 1.578 -1.600) 8.551 21.665 ( -4.447 1.900 4.846) 6.846 21.772 ( 0.017 0.949 -4.610) 4.707 22.084 ( 7.039 -4.050 1.966) 8.355 22.128 ( 6.306 -4.419 -2.007) 7.958 23.251 ( 11.833 -0.925 8.267) 14.464 23.482 ( 4.820 -0.178 -14.022) 14.829 24.116 ( -0.720 2.268 11.904) 12.140 24.306 ( -0.390 2.967 -6.611) 7.257 24.537 ( -0.357 0.003 3.400) 3.419 24.619 ( 1.471 2.695 -4.094) 5.117 26.423 ( -4.047 1.753 3.365) 5.548 26.488 ( -5.935 3.115 -2.541) 7.168 ======================= Grid point 87 (30/50) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 8.656 0.022 -4.831) 9.913 1.980 ( 7.649 -2.500 -11.346) 13.910 2.607 ( 1.179 -7.217 6.123) 9.537 2.636 ( 2.345 -0.712 3.368) 4.166 2.703 ( 0.090 2.463 -1.265) 2.771 2.767 ( 1.269 -3.649 -5.848) 7.009 2.852 ( 3.392 6.019 7.863) 10.467 2.962 ( -1.947 8.418 -3.125) 9.188 3.295 ( 0.505 -0.799 4.254) 4.358 3.354 ( 0.561 0.253 -1.713) 1.821 3.397 ( 2.966 -10.925 15.454) 19.157 3.563 ( 4.453 -7.878 5.415) 10.545 3.725 ( -1.569 4.560 4.549) 6.630 3.807 ( 2.871 -1.141 0.662) 3.160 3.833 ( -0.293 2.626 -4.738) 5.425 4.078 ( 2.967 -1.192 -20.867) 21.111 4.492 ( 4.683 2.082 3.935) 6.462 4.592 ( 9.384 0.454 -3.608) 10.064 4.630 ( 15.824 -0.477 0.515) 15.839 4.653 ( 11.530 -0.632 -2.521) 11.819 4.912 ( 2.923 -6.730 2.516) 7.757 4.938 ( 4.582 -6.208 -0.486) 7.731 5.019 ( 8.937 -1.796 4.204) 10.039 5.056 ( 3.997 -0.203 6.064) 7.266 5.124 ( 2.588 -3.148 -5.456) 6.810 5.187 ( 3.204 -2.585 -4.751) 6.286 5.384 ( 1.405 -4.096 1.617) 4.622 5.436 ( 7.119 -7.247 -4.101) 10.955 5.655 ( 9.712 -0.460 1.871) 9.902 5.715 ( 8.766 -1.126 -2.836) 9.282 5.877 ( -5.680 5.630 3.865) 8.883 5.956 ( -3.063 2.352 -2.846) 4.797 5.990 ( 1.661 -0.161 0.442) 1.726 6.005 ( 1.670 -1.114 -0.720) 2.132 6.204 ( -1.105 3.700 6.809) 7.828 6.317 ( -0.676 3.345 -4.454) 5.612 6.548 ( -0.548 2.315 5.074) 5.604 6.633 ( -2.656 0.378 -2.064) 3.385 6.709 ( -0.812 3.276 8.611) 9.249 6.875 ( -0.207 3.243 -5.132) 6.074 6.985 ( -4.031 3.566 2.169) 5.803 7.046 ( -9.502 -0.662 -2.531) 9.856 7.220 ( 1.127 -0.156 0.824) 1.405 7.279 ( -5.745 -0.574 -4.024) 7.037 7.471 ( 0.974 2.824 -0.609) 3.049 7.478 ( 1.488 0.869 -1.022) 2.003 7.688 ( 0.874 -6.539 3.937) 7.683 7.765 ( -0.317 -4.268 -3.019) 5.237 7.825 ( 0.448 2.301 3.211) 3.976 7.912 ( -1.264 4.098 -5.282) 6.804 8.246 ( -0.367 0.463 9.431) 9.450 8.383 ( 3.660 -1.245 -3.880) 5.477 8.492 ( 1.980 1.908 0.684) 2.833 8.555 ( -0.911 0.435 -3.834) 3.965 8.594 ( -0.223 0.910 3.401) 3.527 8.693 ( -3.435 -0.187 -7.561) 8.307 9.179 ( -1.716 0.367 12.835) 12.955 9.408 ( -0.532 -0.185 -9.079) 9.096 10.222 ( 8.813 -1.578 2.684) 9.347 10.285 ( 7.093 2.174 -2.845) 7.946 10.411 ( -8.349 -0.869 1.378) 8.507 10.431 ( -8.217 -1.284 0.032) 8.317 11.034 ( 0.029 -0.146 7.464) 7.465 11.207 ( -0.950 -0.479 -7.976) 8.047 11.443 ( -6.496 0.028 2.712) 7.040 11.515 ( -5.541 -0.088 -3.755) 6.694 11.602 ( -7.150 -0.034 2.333) 7.521 11.656 ( -8.420 -0.206 -2.511) 8.789 12.703 ( -0.154 0.020 5.675) 5.677 12.825 ( -0.310 -0.447 -5.694) 5.720 13.346 ( 0.465 -1.043 5.428) 5.547 13.453 ( 0.682 -1.757 -4.397) 4.784 13.632 ( 2.208 -0.613 5.009) 5.508 13.754 ( 1.726 -0.260 -6.255) 6.494 14.055 ( 1.705 0.458 3.034) 3.510 14.106 ( 2.823 0.191 -1.887) 3.401 14.275 ( 0.631 -0.712 1.205) 1.535 14.298 ( 0.218 -0.553 -0.920) 1.095 14.699 ( -0.806 -0.185 0.344) 0.896 14.706 ( -0.898 -0.087 -0.333) 0.961 15.168 ( -1.416 1.554 1.478) 2.570 15.202 ( -1.288 1.717 -1.588) 2.670 15.447 ( -0.931 1.409 1.357) 2.167 15.476 ( -1.028 1.510 -1.344) 2.267 16.110 ( 0.156 -4.432 4.778) 6.519 16.209 ( -0.731 -4.679 -4.238) 6.355 17.055 ( -0.423 1.558 1.917) 2.506 17.099 ( -0.625 1.866 -2.017) 2.818 17.463 ( 2.203 -2.484 4.505) 5.597 17.568 ( 1.998 -2.422 -5.021) 5.922 18.947 ( 4.641 -5.949 1.081) 7.622 18.973 ( 5.740 -5.385 -1.273) 7.973 19.117 ( -4.250 7.407 2.303) 8.844 19.165 ( -6.426 6.661 -2.080) 9.486 20.431 ( 2.923 -2.051 0.843) 3.670 20.448 ( 2.303 -0.686 -0.601) 2.477 20.654 ( -1.634 -1.034 4.415) 4.820 20.784 ( -0.214 -1.513 -8.053) 8.196 20.962 ( 4.332 -1.094 0.898) 4.557 20.977 ( 4.679 -1.442 -0.600) 4.933 21.121 ( -7.976 0.869 0.518) 8.040 21.130 ( -5.233 0.567 -0.089) 5.265 21.582 ( -2.304 1.095 10.151) 10.467 21.763 ( -0.095 0.271 -6.617) 6.623 22.202 ( 2.417 -1.718 1.652) 3.394 22.240 ( 2.209 -1.758 -1.795) 3.345 23.385 ( 3.744 -0.219 4.661) 5.983 23.524 ( 0.733 -0.101 -8.706) 8.738 24.099 ( 0.418 0.772 10.044) 10.082 24.279 ( 0.064 0.994 -7.179) 7.248 24.535 ( 0.056 0.044 3.701) 3.702 24.610 ( 0.588 1.288 -3.268) 3.561 26.365 ( -1.229 0.441 1.328) 1.862 26.391 ( -2.346 1.119 -1.028) 2.795 ======================= Grid point 93 (31/50) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 26.895 -0.000 15.862) 31.224 1.378 ( 18.022 -0.000 2.028) 18.135 1.505 ( 22.271 -0.000 22.897) 31.942 2.147 ( 7.616 -0.000 -24.381) 25.543 2.445 ( 21.163 -0.000 2.571) 21.319 2.509 ( 34.011 -0.000 -2.980) 34.141 2.793 ( 55.651 -0.000 -0.618) 55.655 2.799 ( 44.421 -0.000 -1.612) 44.450 3.019 ( 23.567 -0.000 1.723) 23.630 3.023 ( 23.710 -0.000 2.660) 23.858 3.123 ( 15.727 -0.000 6.975) 17.204 3.293 ( 15.758 -0.000 -6.224) 16.942 3.443 ( 11.015 -0.000 -0.596) 11.031 3.490 ( -1.262 0.000 2.929) 3.189 3.601 ( 3.530 -0.000 2.675) 4.429 3.632 ( 5.394 -0.000 -0.489) 5.416 3.658 ( 3.030 -0.000 -1.857) 3.553 3.722 ( 5.277 -0.000 -2.883) 6.013 3.776 ( 13.720 -0.000 -13.089) 18.961 3.802 ( 3.811 -0.000 -4.683) 6.038 4.394 ( 12.985 -0.000 3.601) 13.475 4.461 ( 5.622 -0.000 -3.759) 6.763 4.511 ( 1.764 -0.000 5.757) 6.021 4.541 ( 3.663 -0.000 1.771) 4.068 4.693 ( 12.188 -0.000 2.993) 12.550 4.736 ( 9.786 -0.000 -1.532) 9.905 5.324 ( -12.176 0.000 7.333) 14.214 5.456 ( -6.886 0.000 -3.594) 7.767 5.751 ( 4.006 -0.000 -1.091) 4.152 5.762 ( 6.533 -0.000 -1.954) 6.819 5.834 ( 4.669 -0.000 12.451) 13.298 5.963 ( -2.017 0.000 2.977) 3.596 6.003 ( 0.929 -0.000 -1.085) 1.428 6.050 ( 0.862 -0.000 -5.437) 5.505 6.233 ( 4.259 -0.000 3.373) 5.433 6.400 ( 6.598 -0.000 -11.452) 13.217 6.808 ( 5.475 -0.000 1.561) 5.694 6.826 ( -6.812 0.000 0.534) 6.833 6.873 ( -11.016 0.000 -0.092) 11.016 6.875 ( 0.103 -0.000 -0.614) 0.623 7.093 ( 6.264 -0.000 7.753) 9.967 7.161 ( -1.241 0.000 5.704) 5.838 7.215 ( 4.780 -0.000 -4.225) 6.380 7.298 ( -2.948 0.000 -7.463) 8.024 7.554 ( -0.424 0.000 4.145) 4.167 7.618 ( -0.732 0.000 -2.285) 2.399 7.654 ( 3.685 -0.000 3.736) 5.248 7.736 ( 3.660 -0.000 -3.350) 4.962 7.804 ( -5.504 0.000 7.158) 9.029 7.988 ( -5.202 0.000 -9.869) 11.156 8.489 ( -4.498 0.000 0.619) 4.540 8.491 ( -3.042 0.000 0.203) 3.048 8.645 ( -1.584 0.000 0.674) 1.721 8.668 ( 2.492 -0.000 -1.994) 3.191 8.767 ( -2.363 0.000 6.626) 7.035 8.843 ( 12.060 -0.000 5.519) 13.263 8.970 ( 3.857 -0.000 -7.170) 8.142 9.034 ( 11.917 -0.000 -7.106) 13.875 9.811 ( 1.796 -0.000 18.471) 18.558 10.300 ( 4.960 -0.000 -28.388) 28.818 10.616 ( -5.172 0.000 0.646) 5.213 10.633 ( -6.252 0.000 -0.778) 6.300 11.031 ( -0.550 0.000 6.304) 6.328 11.176 ( -0.390 0.000 -6.441) 6.453 11.968 ( -21.067 0.000 1.390) 21.113 11.999 ( -20.502 0.000 -1.610) 20.565 12.109 ( -21.348 0.000 2.158) 21.457 12.166 ( -19.941 0.000 -3.888) 20.316 12.788 ( -3.545 0.000 6.826) 7.691 12.861 ( -1.380 0.000 -1.526) 2.058 13.202 ( 5.396 -0.000 0.299) 5.405 13.211 ( 4.691 -0.000 -0.604) 4.730 13.385 ( 4.052 -0.000 11.792) 12.469 13.592 ( 2.167 -0.000 -7.395) 7.706 13.916 ( 4.887 -0.000 -0.151) 4.889 13.919 ( 6.287 -0.000 -0.367) 6.298 14.200 ( 1.478 -0.000 3.502) 3.801 14.275 ( 2.172 -0.000 -3.417) 4.049 14.692 ( -2.265 0.000 1.564) 2.752 14.720 ( -3.012 0.000 -1.040) 3.187 15.311 ( 4.973 -0.000 1.391) 5.164 15.339 ( 6.198 -0.000 -1.165) 6.307 15.690 ( -2.429 0.000 0.607) 2.504 15.698 ( -4.259 0.000 -0.060) 4.260 15.872 ( -7.692 0.000 4.072) 8.703 15.989 ( -11.282 0.000 -6.535) 13.039 16.842 ( 15.065 -0.000 3.840) 15.547 16.967 ( 15.830 -0.000 -8.775) 18.100 17.306 ( -2.326 0.000 3.922) 4.560 17.363 ( -3.190 0.000 -1.899) 3.713 18.629 ( 4.189 -0.000 0.469) 4.215 18.640 ( 4.467 -0.000 -0.479) 4.493 19.743 ( -13.347 0.000 8.402) 15.772 19.885 ( -17.015 0.000 -5.008) 17.737 19.980 ( 8.907 -0.000 2.190) 9.172 20.029 ( 13.339 -0.000 -2.324) 13.540 20.616 ( -4.634 0.000 0.942) 4.729 20.644 ( -2.698 0.000 -1.706) 3.192 20.824 ( -3.815 0.000 4.500) 5.900 20.943 ( -2.551 0.000 -7.407) 7.834 21.315 ( -2.830 0.000 8.226) 8.699 21.432 ( -2.578 0.000 -3.462) 4.316 21.781 ( -4.442 0.000 1.522) 4.696 21.819 ( -0.756 0.000 -1.929) 2.072 21.842 ( 11.245 -0.000 1.097) 11.299 21.866 ( 8.474 -0.000 -1.146) 8.551 22.901 ( 28.612 -0.000 12.278) 31.135 23.287 ( 20.115 -0.000 -26.073) 32.930 24.270 ( -10.149 0.000 13.876) 17.192 24.439 ( -2.987 0.000 -2.678) 4.012 24.549 ( -3.668 0.000 0.069) 3.668 24.623 ( 3.504 -0.000 -5.963) 6.916 26.601 ( -9.844 0.000 9.447) 13.643 26.739 ( -11.266 0.000 -4.064) 11.977 ======================= Grid point 94 (32/50) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 23.565 0.119 10.615) 25.846 1.763 ( 18.486 -6.670 -3.193) 19.910 2.005 ( 25.535 -12.040 13.092) 31.119 2.307 ( 13.193 -1.328 -7.711) 15.339 2.672 ( 8.871 0.509 2.100) 9.131 2.727 ( 6.184 0.332 -2.671) 6.744 3.130 ( 4.266 0.918 -0.045) 4.364 3.147 ( 6.006 10.146 -0.385) 11.797 3.369 ( 1.849 6.199 2.412) 6.904 3.399 ( 1.678 8.595 -3.542) 9.447 3.490 ( 3.482 5.569 3.980) 7.680 3.593 ( 12.559 12.665 0.320) 17.839 3.618 ( 12.689 1.075 -2.040) 12.897 3.629 ( 17.710 3.967 -0.930) 18.172 3.795 ( 38.755 -0.050 -1.904) 38.802 3.851 ( 51.806 -2.680 0.237) 51.875 3.913 ( 12.953 -0.118 -9.979) 16.352 3.941 ( 17.955 -6.258 -7.993) 20.626 4.134 ( 19.780 -17.875 0.316) 26.662 4.155 ( 16.907 -18.391 -2.151) 25.074 4.506 ( 7.654 -0.796 5.280) 9.333 4.561 ( 4.118 -5.471 1.133) 6.940 4.688 ( 15.319 -1.939 1.881) 15.556 4.714 ( 9.180 -2.797 -0.205) 9.599 4.912 ( 11.745 1.090 3.878) 12.417 4.976 ( 13.519 -2.611 -2.183) 13.941 5.148 ( -8.189 -3.587 8.511) 12.344 5.320 ( -7.209 0.888 -6.189) 9.542 5.724 ( -0.163 6.728 3.636) 7.649 5.799 ( -1.125 5.096 -2.782) 5.914 5.886 ( 4.444 0.564 5.477) 7.075 5.947 ( 6.314 3.969 0.479) 7.473 6.057 ( -0.132 -3.661 0.886) 3.769 6.091 ( -1.058 -2.527 -0.634) 2.812 6.296 ( 3.149 0.587 3.000) 4.389 6.446 ( 0.311 1.666 -9.917) 10.060 6.667 ( -8.601 -1.176 2.525) 9.041 6.729 ( -7.556 -3.579 -3.033) 8.894 6.870 ( 3.145 4.629 2.331) 6.062 6.918 ( 2.662 4.456 -2.232) 5.650 7.137 ( 0.680 -1.720 9.000) 9.189 7.151 ( -1.387 -0.624 4.106) 4.379 7.264 ( -0.617 1.635 -4.683) 4.999 7.294 ( 2.560 -0.219 -4.752) 5.402 7.533 ( -8.296 0.784 -0.606) 8.355 7.538 ( -7.979 -1.116 -1.170) 8.141 7.652 ( -3.329 -2.902 0.377) 4.432 7.673 ( -6.210 -1.284 -1.337) 6.481 7.795 ( 5.011 1.255 9.478) 10.794 7.986 ( 3.432 1.130 -8.879) 9.585 8.331 ( -7.284 3.202 4.078) 8.941 8.383 ( -3.383 3.479 -1.193) 4.997 8.602 ( -0.290 2.766 1.918) 3.379 8.640 ( -1.027 2.873 -1.916) 3.603 8.713 ( 1.112 5.450 3.855) 6.768 8.848 ( -3.837 2.488 -8.416) 9.578 9.159 ( 4.854 -3.690 5.138) 7.974 9.261 ( 5.234 -7.610 -4.593) 10.315 9.923 ( 9.379 -3.152 18.041) 20.576 10.315 ( 1.226 2.588 -17.630) 17.861 10.511 ( -8.274 -0.595 -0.123) 8.297 10.514 ( -7.622 -0.871 -0.314) 7.678 11.030 ( 0.469 0.165 6.344) 6.363 11.183 ( 0.347 -0.892 -7.278) 7.341 11.637 ( -17.278 -0.220 1.697) 17.362 11.680 ( -16.874 -0.699 -2.455) 17.065 11.792 ( -16.570 -0.977 3.103) 16.887 11.860 ( -17.033 -1.194 -3.575) 17.445 12.729 ( -2.146 0.639 5.804) 6.221 12.817 ( -2.878 -0.245 -2.682) 3.942 13.261 ( 2.333 -0.547 1.469) 2.811 13.295 ( 2.512 -3.075 -1.582) 4.274 13.488 ( 5.160 -2.014 7.455) 9.287 13.653 ( 3.476 -1.323 -7.629) 8.487 13.994 ( 4.131 -0.331 1.610) 4.446 14.025 ( 5.311 -0.742 -1.332) 5.526 14.233 ( 2.167 0.026 3.367) 4.004 14.302 ( 1.663 1.147 -2.957) 3.581 14.675 ( -1.406 -1.656 0.859) 2.336 14.692 ( -1.946 -1.639 -0.693) 2.637 15.340 ( 0.272 4.081 1.975) 4.542 15.384 ( 0.964 4.569 -2.074) 5.109 15.619 ( -2.935 3.240 2.157) 4.875 15.664 ( -2.013 2.884 -2.207) 4.153 15.780 ( -2.544 -5.881 4.128) 7.622 15.868 ( -6.308 -8.871 -4.012) 11.601 17.085 ( 10.076 -1.822 4.499) 11.185 17.187 ( 7.192 -0.474 -4.342) 8.414 17.296 ( 1.259 0.884 1.024) 1.848 17.335 ( 2.556 -1.747 -2.464) 3.956 18.720 ( 5.185 -1.617 0.815) 5.492 18.738 ( 5.987 -1.463 -0.801) 6.216 19.517 ( -7.996 6.376 3.087) 10.683 19.578 ( -11.516 5.860 -2.541) 13.169 20.200 ( 10.015 -3.169 3.020) 10.930 20.277 ( 11.478 -2.511 -4.081) 12.438 20.588 ( -0.741 -2.446 2.293) 3.433 20.643 ( 0.576 -2.843 -3.044) 4.205 20.823 ( 2.216 -1.328 4.474) 5.166 20.928 ( 0.555 0.054 -6.080) 6.106 21.238 ( -5.117 0.813 6.446) 8.270 21.324 ( -8.313 1.171 -2.313) 8.708 21.693 ( -5.160 0.418 3.971) 6.524 21.789 ( -1.632 0.392 -4.635) 4.930 22.022 ( 9.294 -0.865 1.113) 9.401 22.042 ( 9.073 -2.331 -0.759) 9.399 23.274 ( 16.790 1.636 8.039) 18.687 23.501 ( 7.349 0.924 -13.815) 15.675 24.146 ( -4.015 0.225 11.641) 12.316 24.338 ( -5.625 -0.008 -7.254) 9.179 24.536 ( -0.436 0.207 5.185) 5.207 24.655 ( 0.181 0.418 -5.996) 6.014 26.458 ( -6.255 0.898 5.199) 8.183 26.552 ( -8.948 1.596 -3.385) 9.699 ======================= Grid point 95 (33/50) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 18.395 -2.785 0.549) 18.612 2.040 ( 14.386 4.331 -9.936) 18.012 2.563 ( 12.561 -10.477 7.173) 17.861 2.577 ( 14.635 -3.335 5.320) 15.925 2.755 ( 6.371 5.900 6.681) 10.956 2.798 ( 5.503 -0.223 2.216) 5.937 2.996 ( 0.914 17.595 0.245) 17.621 3.145 ( 0.210 3.487 -8.048) 8.774 3.294 ( -0.591 1.278 4.511) 4.725 3.407 ( 0.310 6.483 -0.448) 6.505 3.426 ( 5.920 4.237 3.415) 8.041 3.507 ( 2.979 11.568 -0.232) 11.947 3.812 ( 6.272 1.231 -0.996) 6.469 3.846 ( 9.326 4.799 -4.795) 11.533 3.909 ( 5.907 3.044 0.018) 6.646 4.059 ( 7.303 0.250 -15.452) 17.093 4.553 ( 8.314 -1.437 5.677) 10.169 4.604 ( 25.692 -1.574 0.904) 25.756 4.620 ( 19.669 -2.272 -0.949) 19.822 4.624 ( 20.804 0.884 -1.156) 20.855 4.711 ( 11.061 -13.715 3.625) 17.988 4.762 ( 5.678 -7.736 1.550) 9.721 4.877 ( 5.993 -8.060 -2.737) 10.410 4.891 ( 6.686 -2.534 -3.696) 8.049 5.076 ( 11.088 -3.094 3.819) 12.129 5.154 ( 1.627 -5.224 -2.546) 6.035 5.222 ( 4.989 -0.771 4.412) 6.704 5.276 ( 3.733 -4.901 -0.465) 6.178 5.674 ( 2.090 0.622 -0.208) 2.191 5.722 ( 1.601 3.601 -3.875) 5.527 5.952 ( 0.436 -1.479 5.251) 5.473 5.998 ( 1.008 1.273 -0.224) 1.639 6.020 ( -4.435 1.080 0.739) 4.624 6.040 ( -1.799 3.453 0.321) 3.906 6.328 ( 2.364 2.243 3.223) 4.583 6.422 ( -1.601 1.557 -4.961) 5.440 6.567 ( -5.431 -1.833 4.221) 7.119 6.628 ( -5.529 3.021 -0.837) 6.356 6.785 ( -9.577 6.163 2.817) 11.732 6.873 ( -1.689 -0.118 -4.432) 4.744 7.056 ( -7.782 2.306 3.181) 8.717 7.109 ( -10.914 4.187 0.903) 11.724 7.186 ( 1.916 -1.493 1.197) 2.708 7.288 ( -5.548 1.016 -5.857) 8.131 7.432 ( -2.228 -6.148 1.458) 6.699 7.477 ( -1.534 -4.511 -2.555) 5.407 7.596 ( -3.853 -1.051 1.186) 4.166 7.632 ( -2.781 -3.101 -2.167) 4.695 7.895 ( 7.008 1.935 5.637) 9.200 8.005 ( 1.412 2.507 -4.571) 5.401 8.212 ( -5.360 -0.920 6.178) 8.230 8.323 ( -3.168 -2.127 -4.015) 5.539 8.574 ( -0.188 1.526 0.529) 1.626 8.591 ( 0.111 3.377 -1.252) 3.603 8.676 ( 2.344 5.714 2.480) 6.655 8.765 ( 0.471 4.161 -5.838) 7.184 9.201 ( 0.579 1.284 9.170) 9.277 9.373 ( 0.744 -2.952 -7.053) 7.682 10.155 ( 11.818 -3.395 8.628) 15.021 10.329 ( 1.448 1.238 -5.983) 6.279 10.376 ( -6.567 -1.166 -0.607) 6.697 10.396 ( -7.734 -1.423 -1.730) 8.052 11.039 ( 0.873 0.406 7.165) 7.229 11.201 ( 1.013 -0.068 -7.408) 7.478 11.428 ( -7.530 -0.835 2.289) 7.915 11.490 ( -6.745 -1.542 -3.511) 7.759 11.599 ( -6.551 -0.294 2.792) 7.127 11.654 ( -7.189 -0.167 -2.429) 7.590 12.702 ( -0.686 0.053 4.656) 4.706 12.793 ( -1.359 -1.669 -3.668) 4.252 13.304 ( 1.161 -1.657 3.126) 3.723 13.369 ( 1.173 -3.970 -2.845) 5.023 13.580 ( 1.654 -3.003 5.641) 6.601 13.717 ( 0.936 -2.204 -7.021) 7.418 14.047 ( 0.716 -0.921 3.508) 3.697 14.106 ( 2.630 -0.655 -2.191) 3.485 14.267 ( 2.028 0.230 1.791) 2.715 14.304 ( 0.841 1.349 -1.620) 2.270 14.681 ( -0.099 -1.110 0.470) 1.209 14.691 ( -0.339 -1.042 -0.438) 1.180 15.251 ( -2.651 4.659 1.715) 5.628 15.291 ( -3.046 4.934 -1.847) 6.086 15.522 ( -2.289 3.733 1.729) 4.708 15.559 ( -2.588 4.363 -1.601) 5.319 15.915 ( 3.924 -9.220 3.206) 10.520 15.982 ( 2.164 -11.204 -2.893) 11.772 17.150 ( 2.125 4.746 2.946) 5.976 17.213 ( 1.650 5.401 -2.859) 6.330 17.379 ( 5.721 -3.791 4.466) 8.188 17.484 ( 6.275 -3.926 -5.133) 9.007 18.835 ( 4.997 -2.915 1.579) 5.997 18.871 ( 6.707 -2.575 -1.660) 7.374 19.314 ( -6.090 7.324 1.427) 9.632 19.344 ( -7.593 6.706 -1.239) 10.205 20.373 ( 6.528 -2.355 2.395) 7.341 20.437 ( 5.409 -0.359 -3.612) 6.514 20.628 ( 1.996 -0.900 3.747) 4.340 20.718 ( 2.812 -3.184 -5.088) 6.628 20.921 ( 6.428 -1.567 2.361) 7.025 20.968 ( 4.894 0.233 -2.376) 5.446 21.140 ( -5.270 0.654 1.583) 5.541 21.158 ( -8.150 1.440 -0.349) 8.283 21.604 ( -4.272 0.564 7.986) 9.074 21.761 ( -1.449 -0.272 -6.365) 6.534 22.169 ( 6.561 -0.793 1.455) 6.767 22.199 ( 6.466 -1.450 -1.318) 6.756 23.443 ( 8.362 4.208 4.083) 10.213 23.561 ( 3.525 2.376 -7.152) 8.320 24.106 ( -1.892 -0.381 8.805) 9.014 24.273 ( -3.856 -1.684 -7.281) 8.410 24.510 ( -2.889 -0.996 5.881) 6.627 24.627 ( -2.836 -0.074 -5.121) 5.854 26.372 ( -3.084 0.188 2.270) 3.834 26.416 ( -5.111 0.837 -1.715) 5.456 ======================= Grid point 96 (34/50) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 7.150 6.489 -6.480) 11.629 2.164 ( 8.503 11.397 -8.462) 16.547 2.606 ( -1.569 2.753 2.975) 4.347 2.657 ( 0.315 2.597 -2.889) 3.897 2.739 ( 2.553 4.692 4.888) 7.240 2.817 ( -1.368 8.830 -1.002) 8.991 3.016 ( 2.028 5.345 1.328) 5.869 3.053 ( 3.495 11.069 4.568) 12.474 3.308 ( 1.693 -3.243 7.642) 8.472 3.347 ( 1.200 -0.168 4.331) 4.497 3.471 ( 7.597 5.088 7.779) 12.005 3.600 ( 9.328 -4.957 3.532) 11.138 3.803 ( 1.117 5.424 -3.094) 6.343 3.890 ( 2.824 5.891 -4.409) 7.881 3.940 ( 4.839 10.143 2.562) 11.526 4.125 ( 1.842 3.676 -17.590) 18.064 4.517 ( -6.461 2.218 4.647) 8.262 4.625 ( -10.275 3.305 -3.435) 11.327 4.632 ( -7.742 1.499 1.095) 7.961 4.717 ( -7.063 3.616 -6.570) 10.302 4.924 ( -3.661 -2.363 -0.124) 4.359 4.934 ( -1.538 -1.769 -1.027) 2.559 5.065 ( 5.265 -1.712 2.053) 5.905 5.106 ( 8.143 -3.030 -0.568) 8.707 5.170 ( -2.286 4.201 3.673) 6.031 5.239 ( 1.616 0.680 -1.311) 2.189 5.305 ( 1.043 -7.449 5.419) 9.270 5.424 ( 2.409 -7.369 -4.908) 9.175 5.706 ( -4.671 -4.675 -0.388) 6.620 5.723 ( -5.634 0.402 -1.792) 5.926 5.925 ( -3.030 7.590 1.549) 8.317 5.948 ( -5.021 0.728 -0.353) 5.086 5.992 ( 1.782 1.154 0.433) 2.167 6.017 ( 5.090 0.992 -1.407) 5.374 6.242 ( -3.443 7.629 5.288) 9.900 6.323 ( -4.117 3.186 -2.634) 5.835 6.475 ( -5.758 -2.031 3.896) 7.243 6.513 ( -6.806 -5.333 -0.270) 8.651 6.609 ( -4.240 -5.240 8.727) 11.027 6.796 ( -8.953 -2.620 -6.586) 11.419 6.939 ( -1.682 0.505 3.067) 3.535 7.020 ( 3.613 -4.104 -3.777) 6.646 7.199 ( -1.522 1.430 1.593) 2.626 7.265 ( 4.410 -1.167 -4.127) 6.152 7.453 ( -2.649 -2.786 1.023) 3.978 7.485 ( -2.254 0.382 -2.156) 3.142 7.638 ( 3.046 -5.503 2.502) 6.769 7.698 ( 2.420 -6.310 -3.283) 7.513 7.914 ( 1.265 6.490 4.054) 7.756 7.989 ( 2.058 5.303 -2.836) 6.356 8.159 ( -4.174 -4.106 6.936) 9.077 8.306 ( -4.817 -5.296 -6.958) 9.984 8.529 ( -3.456 1.229 0.605) 3.718 8.551 ( -1.759 1.707 -0.792) 2.576 8.655 ( 3.487 4.665 4.868) 7.591 8.778 ( 6.747 5.063 -6.606) 10.714 9.193 ( 1.529 1.587 10.565) 10.792 9.395 ( -0.082 -1.269 -8.361) 8.458 10.213 ( -10.007 -2.464 0.854) 10.342 10.247 ( -8.029 -0.359 -2.092) 8.304 10.396 ( 10.389 -1.693 3.595) 11.123 10.461 ( 8.677 0.897 -2.004) 8.951 11.047 ( 0.926 0.819 8.126) 8.220 11.226 ( 2.627 0.991 -7.945) 8.426 11.424 ( 5.688 -1.191 2.524) 6.336 11.492 ( 4.770 -1.630 -3.924) 6.388 11.606 ( 7.684 0.236 2.965) 8.239 11.663 ( 8.390 0.111 -2.422) 8.734 12.698 ( -0.143 -0.306 4.928) 4.939 12.804 ( -0.317 -1.993 -4.812) 5.218 13.338 ( 0.435 -1.439 4.474) 4.720 13.429 ( 0.337 -3.255 -3.880) 5.076 13.606 ( -2.790 -2.522 4.845) 6.133 13.728 ( -2.874 -2.080 -6.603) 7.496 14.035 ( -3.522 -1.073 4.498) 5.813 14.109 ( -2.771 0.157 -2.667) 3.849 14.292 ( 1.464 0.801 0.864) 1.879 14.310 ( 1.282 0.726 -0.768) 1.662 14.695 ( 0.730 -0.355 0.306) 0.868 14.702 ( 0.643 -0.329 -0.299) 0.782 15.175 ( -1.061 1.838 1.345) 2.513 15.205 ( -1.551 1.739 -1.419) 2.728 15.469 ( 0.947 2.727 1.297) 3.165 15.497 ( 0.763 2.775 -1.283) 3.151 16.083 ( 4.120 -5.730 3.560) 7.904 16.157 ( 3.735 -7.543 -3.097) 8.968 17.112 ( 1.754 5.499 2.614) 6.336 17.169 ( 2.411 6.317 -2.567) 7.232 17.486 ( 2.753 -0.739 4.562) 5.379 17.592 ( 2.871 -0.499 -5.042) 5.823 18.955 ( 3.616 -4.311 2.738) 6.258 19.018 ( 5.687 -3.128 -3.098) 7.192 19.132 ( -4.505 7.042 1.019) 8.422 19.151 ( -5.093 6.682 -0.775) 8.437 20.464 ( 1.745 0.459 0.679) 1.928 20.477 ( 0.207 1.579 -0.508) 1.671 20.676 ( 4.384 0.791 3.867) 5.899 20.787 ( 2.594 -1.028 -6.608) 7.173 20.975 ( -3.215 0.177 2.067) 3.827 21.021 ( -1.713 1.552 -2.700) 3.554 21.110 ( 7.229 -0.003 0.605) 7.255 21.121 ( 5.775 -0.141 -0.531) 5.801 21.558 ( -0.704 -0.756 10.814) 10.863 21.747 ( -1.102 -0.878 -6.968) 7.109 22.246 ( 2.728 1.650 1.571) 3.554 22.281 ( 2.834 1.375 -1.642) 3.553 23.461 ( 1.179 5.589 3.872) 6.901 23.577 ( 2.693 3.936 -7.266) 8.691 24.074 ( -3.090 -1.281 8.639) 9.264 24.235 ( -4.020 -2.677 -6.924) 8.442 24.478 ( -4.024 -3.747 5.156) 7.538 24.576 ( -4.234 -1.785 -4.051) 6.126 26.350 ( -0.251 -0.708 0.781) 1.084 26.365 ( -0.706 -0.868 -0.547) 1.245 ======================= Grid point 97 (35/50) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -6.714 20.316 -4.583) 21.882 1.972 ( -8.069 18.298 -10.477) 22.577 2.587 ( -2.027 -0.602 4.632) 5.092 2.645 ( -3.638 -1.578 -2.425) 4.648 2.735 ( 2.685 5.618 4.879) 7.910 2.748 ( -1.724 -1.318 8.316) 8.594 2.904 ( 1.542 14.471 -5.222) 15.462 2.942 ( 0.764 4.838 -5.045) 7.031 3.322 ( 0.073 1.710 2.920) 3.384 3.373 ( 0.757 1.384 -0.888) 1.810 3.528 ( 0.035 11.927 15.064) 19.214 3.618 ( -3.983 8.491 7.957) 12.300 3.763 ( -4.482 2.781 2.227) 5.726 3.791 ( -5.362 8.829 1.007) 10.379 3.855 ( -2.635 8.789 -3.358) 9.770 4.018 ( -9.399 3.761 -12.219) 15.869 4.172 ( -29.496 6.181 2.331) 30.227 4.240 ( -20.907 2.436 -2.480) 21.194 4.450 ( -15.405 4.851 -4.878) 16.871 4.485 ( -15.810 5.075 -6.582) 17.861 4.754 ( -14.398 -3.281 4.405) 15.410 4.810 ( -10.256 -5.494 0.079) 11.635 4.961 ( -6.712 10.437 3.101) 12.791 5.012 ( -5.459 9.146 4.920) 11.733 5.118 ( -5.529 1.891 -6.552) 8.779 5.213 ( -0.669 2.097 -7.375) 7.696 5.374 ( 0.979 1.595 3.388) 3.870 5.437 ( -2.170 5.025 -2.392) 5.973 5.539 ( -9.052 7.143 2.017) 11.706 5.585 ( -8.634 3.159 -2.106) 9.432 5.814 ( -3.087 -8.193 2.558) 9.121 5.845 ( -5.981 -4.858 -0.307) 7.711 5.987 ( 0.736 4.087 5.371) 6.789 6.109 ( 5.590 1.427 -4.273) 7.180 6.192 ( 0.948 -0.798 2.901) 3.155 6.270 ( -2.594 -1.099 -3.518) 4.507 6.487 ( 0.016 -4.565 5.991) 7.532 6.568 ( -1.207 -9.991 1.194) 10.134 6.648 ( 1.048 -4.476 1.505) 4.837 6.765 ( -2.378 -7.740 -5.440) 9.755 7.021 ( 2.622 -6.818 5.872) 9.372 7.169 ( 4.758 -2.576 -2.150) 5.822 7.211 ( 2.865 -4.975 3.149) 6.548 7.354 ( 3.644 -0.414 -5.695) 6.774 7.413 ( -2.877 1.103 -0.471) 3.116 7.438 ( -1.387 0.429 -2.300) 2.721 7.720 ( -0.626 0.578 3.857) 3.950 7.774 ( 0.465 0.121 -0.531) 0.716 7.868 ( 1.606 2.047 1.010) 2.791 7.928 ( -0.781 2.773 -4.110) 5.019 8.152 ( -4.760 -4.086 6.469) 9.012 8.279 ( -3.990 -1.462 -6.488) 7.756 8.461 ( -2.731 -1.262 2.404) 3.851 8.513 ( -2.445 -2.811 -1.014) 3.861 8.669 ( 4.456 4.251 6.197) 8.737 8.830 ( 6.022 4.261 -9.134) 11.741 9.241 ( 5.547 -0.235 10.220) 11.631 9.426 ( 2.296 -0.908 -7.352) 7.756 10.085 ( -8.705 -1.250 0.553) 8.812 10.114 ( -8.468 -2.552 -1.318) 8.942 10.568 ( 8.929 0.822 1.678) 9.122 10.593 ( 8.430 1.591 -0.330) 8.585 11.047 ( 0.455 1.119 8.871) 8.953 11.253 ( 2.388 1.659 -9.710) 10.136 11.636 ( 17.093 -0.982 2.335) 17.280 11.696 ( 16.880 -1.008 -3.308) 17.231 11.835 ( 18.906 0.464 3.539) 19.240 11.904 ( 19.197 0.194 -3.077) 19.443 12.702 ( 0.093 -0.406 5.640) 5.655 12.824 ( 0.171 -1.293 -5.673) 5.821 13.345 ( -0.824 0.312 5.093) 5.169 13.445 ( -1.640 -0.093 -4.177) 4.488 13.548 ( -6.892 -1.526 5.289) 8.821 13.676 ( -6.073 -2.028 -6.468) 9.101 13.965 ( -6.789 -2.234 3.347) 7.892 14.023 ( -6.645 0.198 -2.144) 6.985 14.285 ( -0.183 2.134 1.210) 2.460 14.309 ( -0.002 1.653 -0.981) 1.922 14.721 ( 1.948 -0.739 0.329) 2.109 14.728 ( 1.995 -0.902 -0.305) 2.210 15.170 ( 0.139 -1.585 1.049) 1.906 15.194 ( -0.461 -1.805 -1.099) 2.163 15.491 ( 5.204 1.917 1.261) 5.687 15.519 ( 5.125 1.571 -1.281) 5.511 16.173 ( 2.713 1.152 4.842) 5.668 16.274 ( 3.520 -1.133 -4.329) 5.693 17.089 ( 2.158 3.231 2.733) 4.750 17.150 ( 3.310 4.320 -2.830) 6.134 17.476 ( -1.387 4.378 4.668) 6.548 17.585 ( -0.988 4.198 -5.283) 6.820 18.950 ( -4.270 6.518 0.366) 7.800 18.960 ( -4.418 6.156 -0.674) 7.607 19.089 ( 2.145 -5.669 5.051) 7.890 19.198 ( 6.092 -5.157 -5.000) 9.419 20.398 ( -5.739 3.459 0.601) 6.728 20.405 ( -5.425 2.426 0.044) 5.943 20.765 ( 8.632 2.846 2.573) 9.446 20.851 ( 5.909 1.946 -5.600) 8.370 20.956 ( 2.417 1.195 0.321) 2.716 20.971 ( 1.000 3.286 -1.201) 3.639 21.217 ( 4.738 0.362 3.908) 6.153 21.260 ( 8.591 -0.350 -0.875) 8.643 21.605 ( 3.168 -2.660 6.903) 8.047 21.743 ( -1.112 -1.272 -5.522) 5.775 22.207 ( -2.281 5.424 1.883) 6.178 22.251 ( -1.743 5.186 -2.035) 5.837 23.344 ( -6.284 6.556 6.684) 11.276 23.534 ( -2.271 4.148 -11.640) 12.564 24.047 ( -2.818 -2.975 10.049) 10.853 24.208 ( -4.347 -4.490 -5.625) 8.408 24.480 ( -2.092 -5.296 2.650) 6.281 24.540 ( -3.397 -3.141 -2.727) 5.371 26.378 ( 1.892 -1.824 1.702) 3.131 26.412 ( 3.054 -2.806 -1.430) 4.387 ======================= Grid point 98 (36/50) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -15.416 17.602 -2.045) 23.487 1.599 ( -8.968 11.772 -8.910) 17.274 2.486 ( -9.422 9.866 2.785) 13.924 2.532 ( -12.943 3.516 -1.562) 13.503 2.562 ( -4.332 13.881 5.262) 15.464 2.662 ( -9.543 20.297 -2.931) 22.619 2.752 ( -1.133 -2.808 8.284) 8.820 2.891 ( -11.889 -0.217 -2.543) 12.160 3.120 ( -40.921 7.203 1.883) 41.593 3.187 ( -24.314 1.370 -2.895) 24.524 3.316 ( -5.010 6.175 2.532) 8.346 3.360 ( -6.334 8.774 -0.111) 10.822 3.411 ( -3.016 9.737 3.482) 10.772 3.512 ( -15.954 6.963 -1.645) 17.485 3.541 ( -18.697 9.335 2.390) 21.034 3.600 ( -7.489 12.234 5.470) 15.351 3.669 ( -16.941 8.573 -0.052) 18.987 3.977 ( -13.907 6.655 -19.428) 24.802 4.208 ( -1.575 0.223 1.669) 2.306 4.267 ( -2.958 3.323 -4.236) 6.143 4.592 ( -7.967 1.737 13.130) 15.456 4.690 ( -7.795 6.307 2.025) 10.230 4.729 ( -7.832 8.056 -0.707) 11.258 4.833 ( -4.508 5.585 8.676) 11.260 4.937 ( -6.442 7.578 -11.232) 15.002 5.067 ( -7.636 13.172 -6.606) 16.596 5.326 ( 1.678 0.172 2.772) 3.245 5.383 ( 2.724 0.803 -2.737) 3.945 5.468 ( -0.248 -4.572 2.167) 5.066 5.504 ( -2.772 -3.317 -0.812) 4.398 5.732 ( -6.434 3.586 1.794) 7.581 5.772 ( -4.021 -2.119 -1.299) 4.727 6.071 ( 2.395 -6.260 7.021) 9.707 6.170 ( -2.990 0.354 1.705) 3.460 6.218 ( -1.678 0.157 -1.704) 2.397 6.251 ( 1.698 -4.561 -9.650) 10.808 6.570 ( 2.690 -5.153 5.411) 7.942 6.650 ( -2.376 -7.901 1.168) 8.332 6.732 ( 2.013 -3.683 0.346) 4.211 6.832 ( -2.484 -7.227 -4.660) 8.951 7.072 ( -3.433 -2.922 10.438) 11.370 7.252 ( -1.231 -1.837 -6.179) 6.563 7.295 ( -0.854 -3.362 5.497) 6.500 7.370 ( 0.938 -2.657 1.343) 3.121 7.410 ( 1.222 0.793 -4.535) 4.763 7.451 ( 2.666 0.227 -6.435) 6.970 7.645 ( -1.099 3.135 5.371) 6.315 7.742 ( -2.012 2.569 -2.321) 4.005 7.820 ( -2.999 2.800 3.719) 5.538 7.917 ( -5.056 -3.539 -4.326) 7.536 8.132 ( -0.262 -1.716 2.348) 2.920 8.192 ( -3.038 4.036 -3.547) 6.173 8.494 ( -0.787 -6.311 1.672) 6.576 8.531 ( -1.930 -5.409 -0.839) 5.804 8.712 ( 5.619 1.954 6.926) 9.130 8.881 ( 4.281 1.228 -8.728) 9.799 9.372 ( 8.882 0.304 6.262) 10.872 9.486 ( 4.996 1.438 -4.407) 6.816 9.933 ( -8.099 2.650 4.745) 9.753 10.041 ( -7.778 -6.400 -4.716) 11.122 10.677 ( 6.372 2.119 1.223) 6.826 10.697 ( 6.540 2.043 -0.346) 6.860 11.036 ( 0.014 1.022 9.180) 9.237 11.265 ( 1.867 2.109 -11.525) 11.864 11.985 ( 22.436 -0.136 2.412) 22.566 12.045 ( 22.690 0.077 -3.320) 22.931 12.183 ( 22.393 1.103 3.724) 22.727 12.256 ( 22.223 0.931 -3.415) 22.503 12.715 ( 0.584 -0.935 6.375) 6.470 12.842 ( 0.414 -0.747 -5.628) 5.692 13.280 ( -5.781 2.392 3.154) 7.006 13.353 ( -7.315 3.120 -3.368) 8.636 13.438 ( -6.958 -0.962 7.741) 10.453 13.580 ( -7.827 -1.172 -4.808) 9.260 13.865 ( -9.523 -2.999 1.138) 10.048 13.911 ( -5.822 -1.104 -3.121) 6.697 14.240 ( -1.271 2.584 1.833) 3.414 14.271 ( -1.280 2.257 -1.078) 2.810 14.787 ( 4.021 -1.717 0.643) 4.419 14.800 ( 4.217 -2.213 -0.531) 4.792 15.195 ( -1.244 -3.103 0.677) 3.411 15.210 ( -1.904 -3.249 -0.704) 3.831 15.590 ( 8.661 1.619 1.605) 8.956 15.624 ( 8.540 0.667 -1.551) 8.705 16.144 ( 0.658 7.751 7.296) 10.665 16.306 ( 3.345 4.777 -7.388) 9.413 17.098 ( 1.348 1.167 2.794) 3.314 17.163 ( 1.722 1.997 -3.337) 4.253 17.342 ( -3.934 7.918 5.159) 10.237 17.461 ( -3.855 8.263 -5.999) 10.914 18.805 ( -3.280 6.349 0.329) 7.154 18.814 ( -3.321 6.417 -0.557) 7.247 19.207 ( 0.472 -9.429 7.726) 12.199 19.375 ( 4.841 -8.279 -7.715) 12.309 20.241 ( -5.962 4.148 1.455) 7.408 20.265 ( -5.891 2.905 -0.769) 6.613 20.887 ( 11.865 5.439 1.384) 13.126 20.930 ( 9.202 6.185 -2.636) 11.397 20.985 ( 6.480 4.651 0.733) 8.010 21.009 ( 6.234 2.361 -2.103) 6.991 21.274 ( 2.543 0.009 7.666) 8.077 21.385 ( 5.058 -0.342 -3.233) 6.013 21.691 ( 1.680 -2.823 1.503) 3.613 21.734 ( -2.346 -1.525 -2.302) 3.624 22.035 ( -7.672 8.204 2.734) 11.560 22.098 ( -6.216 7.853 -2.987) 10.451 23.087 ( -13.435 7.978 11.571) 19.443 23.397 ( -7.947 3.850 -18.223) 20.250 24.059 ( -2.168 -5.649 11.063) 12.610 24.204 ( -4.478 -6.993 -3.651) 9.071 24.542 ( 2.307 -3.644 -0.712) 4.371 24.544 ( -0.858 -3.860 -0.852) 4.045 26.456 ( 3.407 -3.297 3.700) 6.014 26.528 ( 4.759 -5.055 -2.900) 7.524 ======================= Grid point 99 (37/50) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -12.641 12.785 12.073) 21.657 1.407 ( -6.071 -0.335 -18.417) 19.394 1.711 ( -51.953 16.846 4.396) 54.792 1.840 ( -44.382 16.620 -7.449) 47.974 2.283 ( -8.838 24.594 6.567) 26.946 2.310 ( -8.203 39.070 7.824) 40.681 2.402 ( -12.039 4.484 5.805) 14.097 2.496 ( -12.096 3.023 -2.287) 12.676 2.807 ( -3.688 0.759 3.443) 5.102 2.875 ( -20.328 14.752 -0.602) 25.124 2.893 ( -16.351 6.355 -0.089) 17.542 3.068 ( -1.223 -3.613 -7.026) 7.994 3.252 ( -9.481 5.053 10.842) 15.263 3.386 ( 0.089 3.701 -0.593) 3.749 3.403 ( -0.437 0.177 -2.583) 2.626 3.484 ( 2.001 -3.233 -2.770) 4.704 3.540 ( 1.310 -1.045 -0.721) 1.824 3.683 ( -9.876 6.400 -18.696) 22.092 4.164 ( -0.464 9.288 0.788) 9.333 4.195 ( 1.445 6.046 -1.397) 6.372 4.425 ( -5.580 9.717 5.284) 12.389 4.487 ( -6.508 8.039 -0.185) 10.345 4.524 ( -3.684 -0.390 10.905) 11.517 4.605 ( -7.473 10.707 10.645) 16.847 4.750 ( -7.359 14.417 -3.634) 16.590 4.802 ( -0.694 5.837 -13.125) 14.381 5.386 ( -5.474 -1.517 2.461) 6.190 5.433 ( 1.746 -2.817 -0.697) 3.387 5.499 ( -2.019 -3.083 0.999) 3.819 5.544 ( 0.855 -8.633 -1.986) 8.899 5.685 ( 7.030 0.428 7.128) 10.020 5.836 ( 5.216 -4.732 -6.035) 9.275 6.043 ( -9.024 -0.666 0.699) 9.076 6.105 ( -6.879 0.885 -5.018) 8.560 6.205 ( 3.481 -1.035 6.295) 7.268 6.330 ( 2.437 -1.493 -6.116) 6.751 6.638 ( -5.370 -3.990 6.422) 9.273 6.704 ( 0.295 -5.234 1.815) 5.548 6.784 ( -0.320 -0.920 -1.377) 1.686 6.830 ( -6.036 -5.395 -3.221) 8.713 7.040 ( -3.741 -4.344 11.634) 12.969 7.255 ( 1.644 -1.067 -6.020) 6.331 7.304 ( -2.637 -4.468 -0.342) 5.200 7.371 ( -0.022 4.213 -4.263) 5.994 7.440 ( 2.316 -1.084 1.652) 3.044 7.466 ( -0.360 -0.750 -0.709) 1.093 7.636 ( 1.516 1.933 2.180) 3.284 7.673 ( -4.823 0.639 1.845) 5.203 7.730 ( -2.152 2.161 0.553) 3.100 7.826 ( -8.731 -0.915 -5.330) 10.270 8.097 ( -1.059 3.754 4.041) 5.616 8.183 ( 1.681 -1.546 -4.001) 4.607 8.563 ( -0.585 -6.977 0.391) 7.013 8.579 ( -0.830 -5.974 -0.698) 6.072 8.794 ( 4.203 -0.597 6.261) 7.565 8.937 ( 2.432 -0.591 -6.909) 7.348 9.450 ( 5.161 12.196 4.334) 13.934 9.550 ( 8.081 6.373 -4.603) 11.274 9.779 ( -5.285 0.031 9.059) 10.488 9.977 ( -9.876 -6.024 -9.134) 14.740 10.730 ( 3.315 2.447 1.426) 4.360 10.758 ( 3.649 2.155 -1.055) 4.367 11.028 ( 0.025 0.094 8.949) 8.949 11.264 ( 1.175 2.320 -12.894) 13.154 12.357 ( 21.596 1.205 2.379) 21.760 12.410 ( 20.430 1.707 -2.261) 20.625 12.524 ( 19.565 1.590 2.614) 19.802 12.583 ( 17.757 2.242 -2.768) 18.111 12.750 ( 1.491 -1.553 5.288) 5.710 12.839 ( -2.556 0.301 -3.394) 4.259 13.095 ( -12.100 1.701 1.226) 12.280 13.142 ( -12.695 2.745 -2.452) 13.217 13.348 ( -4.407 -0.037 9.052) 10.068 13.460 ( -7.448 -2.816 -1.806) 8.165 13.748 ( -7.152 -2.763 2.702) 8.129 13.861 ( -2.743 -1.779 -7.553) 8.230 14.191 ( -1.049 1.851 2.174) 3.042 14.225 ( -1.174 1.296 -1.170) 2.104 14.890 ( 5.369 -1.340 1.546) 5.745 14.920 ( 6.010 -2.936 -1.213) 6.798 15.196 ( -2.749 -2.384 0.321) 3.653 15.203 ( -3.218 -2.528 -0.309) 4.104 15.721 ( 9.381 2.416 2.703) 10.057 15.765 ( 8.306 0.598 -1.589) 8.478 16.013 ( -3.483 9.016 9.711) 13.701 16.274 ( 1.247 6.826 -13.927) 15.560 16.993 ( -5.252 12.990 3.330) 14.401 17.079 ( -4.472 8.593 -5.035) 10.918 17.273 ( 0.648 -0.726 2.700) 2.870 17.333 ( 0.111 1.770 -3.257) 3.709 18.686 ( -1.849 5.589 0.303) 5.895 18.695 ( -1.774 5.713 -0.508) 6.003 19.342 ( -0.649 -12.858 10.313) 16.495 19.548 ( 1.052 -10.228 -9.126) 13.748 20.132 ( -0.983 2.880 3.991) 5.019 20.193 ( 0.981 -0.487 -1.987) 2.269 20.998 ( 10.560 9.492 1.099) 14.241 21.018 ( 13.336 8.762 -0.833) 15.978 21.073 ( 11.859 4.063 1.987) 12.692 21.121 ( 10.825 2.829 -2.801) 11.533 21.299 ( -0.200 -0.149 5.917) 5.922 21.402 ( -3.763 1.173 -3.840) 5.503 21.649 ( -10.001 -0.429 1.360) 10.102 21.688 ( -8.634 1.783 -2.235) 9.095 21.809 ( -5.067 3.696 3.859) 7.364 21.896 ( -5.219 5.880 -4.377) 8.999 22.708 ( -15.228 12.950 17.241) 26.398 23.169 ( -10.543 8.264 -27.483) 30.574 24.113 ( -2.120 -9.060 11.575) 14.852 24.233 ( -3.155 -8.146 -2.016) 8.966 24.589 ( 2.431 -1.400 1.843) 3.356 24.651 ( 3.750 -4.174 -3.580) 6.656 26.568 ( 3.363 -5.650 7.071) 9.656 26.689 ( 4.384 -7.955 -4.182) 10.000 ======================= Grid point 100 (38/50) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -0.000 23.715 11.486) 26.350 0.821 ( -0.000 8.049 25.855) 27.079 1.088 ( -0.000 18.649 -13.987) 23.312 1.343 ( -0.000 10.231 -23.478) 25.611 1.700 ( -0.000 41.838 20.823) 46.733 1.964 ( -0.000 8.225 -1.652) 8.389 2.237 ( -0.000 5.843 7.495) 9.504 2.338 ( -0.000 4.655 -2.676) 5.369 2.472 ( -0.000 14.927 2.613) 15.154 2.536 ( -0.000 10.515 -3.018) 10.940 2.987 ( 0.000 -13.756 -3.033) 14.086 3.094 ( -0.000 3.742 13.582) 14.088 3.112 ( 0.000 -2.298 -14.112) 14.298 3.354 ( -0.000 0.614 4.730) 4.770 3.413 ( 0.000 -0.372 -2.000) 2.035 3.467 ( -0.000 6.138 -21.705) 22.556 3.558 ( 0.000 -4.015 4.803) 6.260 3.683 ( 0.000 -9.576 -5.874) 11.234 4.038 ( -0.000 10.133 5.820) 11.685 4.113 ( -0.000 9.351 0.182) 9.352 4.240 ( -0.000 8.943 6.413) 11.005 4.332 ( -0.000 6.366 -3.196) 7.123 4.404 ( -0.000 8.199 6.801) 10.653 4.507 ( -0.000 11.687 -2.606) 11.974 4.572 ( 0.000 -8.222 9.724) 12.734 4.752 ( -0.000 1.741 -7.757) 7.950 5.311 ( -0.000 0.683 3.297) 3.367 5.378 ( -0.000 2.459 -2.737) 3.679 5.623 ( 0.000 -9.614 4.064) 10.438 5.676 ( 0.000 -8.862 -0.915) 8.909 5.797 ( -0.000 1.154 6.747) 6.845 5.926 ( -0.000 0.559 0.610) 0.827 5.971 ( -0.000 3.298 -9.293) 9.861 5.982 ( 0.000 -4.970 -4.431) 6.658 6.253 ( -0.000 0.883 7.605) 7.656 6.381 ( -0.000 0.124 -4.250) 4.252 6.586 ( 0.000 -3.187 6.217) 6.986 6.699 ( 0.000 -0.018 -4.347) 4.347 6.759 ( -0.000 0.717 2.868) 2.956 6.830 ( 0.000 -0.807 -3.554) 3.645 7.118 ( 0.000 -13.149 13.905) 19.138 7.277 ( -0.000 3.072 1.804) 3.562 7.316 ( -0.000 3.476 -1.794) 3.912 7.343 ( 0.000 -7.072 -7.564) 10.355 7.515 ( 0.000 -2.250 0.786) 2.383 7.538 ( 0.000 -8.671 -1.509) 8.801 7.557 ( -0.000 2.268 4.486) 5.027 7.620 ( -0.000 3.597 2.832) 4.578 7.676 ( -0.000 3.661 -7.216) 8.091 7.696 ( -0.000 2.930 -4.166) 5.094 8.052 ( -0.000 2.022 9.293) 9.511 8.218 ( 0.000 -1.445 -6.769) 6.921 8.638 ( 0.000 -5.068 0.074) 5.068 8.650 ( 0.000 -6.085 -0.860) 6.146 8.842 ( 0.000 -0.954 5.693) 5.772 8.967 ( 0.000 -0.695 -5.765) 5.806 9.200 ( -0.000 28.982 9.824) 30.602 9.504 ( -0.000 20.107 -19.476) 27.994 9.785 ( 0.000 -3.678 5.959) 7.003 9.908 ( 0.000 -3.711 -5.331) 6.496 10.729 ( -0.000 2.036 1.705) 2.656 10.764 ( -0.000 1.830 -1.424) 2.318 11.036 ( 0.000 -1.012 7.878) 7.943 11.244 ( -0.000 2.576 -12.290) 12.557 12.614 ( -0.000 2.803 2.957) 4.075 12.631 ( -0.000 5.632 0.492) 5.654 12.635 ( 0.000 -0.039 2.069) 2.070 12.690 ( 0.000 -0.209 -3.214) 3.221 12.831 ( 0.000 -0.116 2.613) 2.615 12.866 ( -0.000 3.055 -0.920) 3.190 12.873 ( 0.000 -0.291 -1.459) 1.488 12.881 ( -0.000 2.724 -1.740) 3.232 13.341 ( 0.000 -5.976 13.461) 14.728 13.470 ( 0.000 -8.076 -1.188) 8.162 13.723 ( 0.000 -2.989 2.949) 4.199 13.854 ( 0.000 -0.546 -8.332) 8.350 14.167 ( -0.000 0.264 2.192) 2.208 14.209 ( 0.000 -0.419 -1.833) 1.880 14.941 ( -0.000 4.594 3.984) 6.081 15.029 ( 0.000 -0.626 -4.238) 4.284 15.181 ( 0.000 -1.048 0.074) 1.051 15.183 ( 0.000 -1.046 -0.074) 1.049 15.823 ( -0.000 4.545 12.352) 13.162 15.841 ( -0.000 0.838 0.103) 0.845 15.843 ( -0.000 0.812 -0.103) 0.819 16.179 ( -0.000 7.586 -22.281) 23.537 16.745 ( -0.000 15.892 3.150) 16.201 16.839 ( -0.000 18.353 -7.796) 19.941 17.327 ( 0.000 -5.369 3.790) 6.572 17.374 ( 0.000 -4.495 -1.496) 4.737 18.609 ( -0.000 4.213 0.302) 4.224 18.616 ( -0.000 4.323 -0.456) 4.347 19.510 ( 0.000 -14.765 9.059) 17.323 19.653 ( 0.000 -6.956 -5.839) 9.082 20.149 ( 0.000 -5.287 11.099) 12.294 20.302 ( 0.000 -10.948 -4.360) 11.784 20.992 ( -0.000 9.447 6.820) 11.651 21.137 ( -0.000 7.902 -6.632) 10.316 21.237 ( -0.000 0.813 0.157) 0.828 21.241 ( -0.000 0.809 -0.225) 0.840 21.270 ( -0.000 0.716 0.314) 0.782 21.276 ( -0.000 0.708 -0.245) 0.749 21.398 ( -0.000 7.549 3.464) 8.306 21.466 ( -0.000 6.761 -3.121) 7.447 21.764 ( 0.000 -1.086 2.010) 2.285 21.818 ( -0.000 1.118 -3.296) 3.480 22.344 ( -0.000 18.957 18.050) 26.175 22.863 ( -0.000 22.112 -35.066) 41.455 24.223 ( 0.000 -11.643 10.451) 15.646 24.301 ( 0.000 -6.988 -0.540) 7.009 24.634 ( 0.000 -0.870 4.105) 4.196 24.738 ( 0.000 -2.971 -5.333) 6.105 26.705 ( 0.000 -10.888 11.031) 15.500 26.847 ( 0.000 -9.806 -3.651) 10.463 ======================= Grid point 103 (39/50) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 22.652 -0.000 7.438) 23.842 1.990 ( 18.007 -0.000 10.616) 20.903 2.405 ( 25.913 -0.000 -2.637) 26.047 2.469 ( 9.319 -0.000 -3.870) 10.091 2.790 ( 1.795 -0.000 -0.532) 1.872 2.802 ( 6.897 -0.000 -2.196) 7.238 3.213 ( 4.374 -0.000 6.038) 7.456 3.331 ( 6.974 -0.000 -2.356) 7.361 3.401 ( -1.347 0.000 3.012) 3.300 3.402 ( -2.181 0.000 0.926) 2.369 3.578 ( 1.865 -0.000 0.471) 1.924 3.703 ( -1.737 0.000 -12.715) 12.833 3.869 ( 5.974 -0.000 1.577) 6.179 3.997 ( 3.733 -0.000 -11.571) 12.158 4.125 ( 14.760 -0.000 -1.713) 14.859 4.129 ( 17.386 -0.000 -3.748) 17.785 4.223 ( 20.394 -0.000 2.356) 20.529 4.265 ( 19.945 -0.000 -1.688) 20.016 4.545 ( 9.112 -0.000 6.923) 11.444 4.588 ( 31.386 -0.000 0.120) 31.386 4.661 ( 25.588 -0.000 1.854) 25.655 4.690 ( 13.169 -0.000 1.954) 13.313 4.859 ( 7.796 -0.000 2.917) 8.324 4.912 ( 10.095 -0.000 -2.199) 10.332 5.013 ( 2.977 -0.000 3.535) 4.621 5.051 ( -0.431 0.000 0.542) 0.693 5.174 ( 8.878 -0.000 0.740) 8.909 5.253 ( 1.949 -0.000 -6.833) 7.105 5.746 ( -3.624 0.000 0.055) 3.624 5.751 ( -7.535 0.000 -0.367) 7.544 5.928 ( 2.868 -0.000 9.749) 10.163 6.021 ( -4.215 0.000 -0.844) 4.299 6.022 ( -0.969 0.000 0.847) 1.287 6.087 ( 2.415 -0.000 -3.299) 4.089 6.325 ( -0.438 0.000 3.083) 3.114 6.361 ( -6.792 0.000 1.404) 6.936 6.587 ( -5.310 0.000 -3.763) 6.508 6.613 ( -1.195 0.000 -3.793) 3.977 6.942 ( -4.396 0.000 4.388) 6.212 6.951 ( 1.024 -0.000 1.725) 2.006 7.135 ( -1.409 0.000 1.374) 1.968 7.141 ( -1.491 0.000 3.524) 3.826 7.217 ( -20.698 0.000 -3.295) 20.959 7.250 ( -2.773 0.000 -4.729) 5.482 7.323 ( -9.850 0.000 0.976) 9.899 7.367 ( 0.689 -0.000 -2.917) 2.998 7.549 ( -3.469 0.000 1.085) 3.635 7.581 ( -3.810 0.000 -1.875) 4.247 7.939 ( 8.437 -0.000 5.844) 10.264 8.037 ( -1.212 0.000 -2.641) 2.906 8.221 ( -3.272 0.000 2.235) 3.962 8.282 ( -6.764 0.000 -2.798) 7.319 8.598 ( -1.619 0.000 1.102) 1.959 8.635 ( -2.273 0.000 -2.632) 3.477 8.796 ( -2.943 0.000 1.386) 3.253 8.815 ( 4.416 -0.000 -0.669) 4.467 9.241 ( 3.767 -0.000 1.710) 4.137 9.293 ( 3.368 -0.000 -2.871) 4.426 10.101 ( 13.693 -0.000 12.156) 18.311 10.341 ( -10.649 0.000 1.130) 10.708 10.362 ( 3.605 -0.000 -10.923) 11.503 10.380 ( -7.782 0.000 -2.927) 8.314 11.046 ( 1.232 -0.000 7.043) 7.150 11.200 ( 2.181 -0.000 -6.758) 7.101 11.416 ( -7.866 0.000 1.874) 8.086 11.466 ( -7.290 0.000 -2.912) 7.850 11.592 ( -5.904 0.000 3.027) 6.634 11.649 ( -6.541 0.000 -2.475) 6.994 12.705 ( -1.052 0.000 3.738) 3.883 12.768 ( -2.281 0.000 -2.076) 3.084 13.294 ( 1.224 -0.000 0.019) 1.224 13.298 ( 1.464 -0.000 -0.329) 1.500 13.533 ( 1.608 -0.000 6.072) 6.281 13.682 ( 0.847 -0.000 -7.880) 7.925 14.031 ( 0.431 -0.000 3.925) 3.948 14.091 ( 2.675 -0.000 -1.956) 3.314 14.274 ( 2.669 -0.000 2.489) 3.650 14.330 ( 1.001 -0.000 -2.572) 2.760 14.663 ( 0.683 -0.000 0.509) 0.852 14.674 ( 0.432 -0.000 -0.460) 0.632 15.334 ( -4.469 0.000 1.914) 4.862 15.378 ( -5.357 0.000 -2.087) 5.749 15.581 ( -3.258 0.000 3.096) 4.494 15.647 ( -4.938 0.000 -3.002) 5.779 15.768 ( 5.857 -0.000 0.848) 5.918 15.783 ( 6.368 -0.000 -0.560) 6.392 17.247 ( 8.560 -0.000 3.819) 9.373 17.264 ( 2.449 -0.000 1.143) 2.703 17.334 ( 2.011 -0.000 0.144) 2.016 17.411 ( 8.454 -0.000 -5.600) 10.141 18.800 ( 5.229 -0.000 1.794) 5.528 18.841 ( 7.073 -0.000 -1.878) 7.318 19.418 ( -7.598 0.000 1.039) 7.669 19.439 ( -8.817 0.000 -0.848) 8.858 20.338 ( 8.213 -0.000 3.235) 8.827 20.430 ( 7.475 -0.000 -5.631) 9.359 20.617 ( 4.453 -0.000 2.709) 5.213 20.668 ( 3.679 -0.000 -2.449) 4.420 20.900 ( 7.091 -0.000 3.437) 7.880 20.974 ( 4.848 -0.000 -3.750) 6.129 21.151 ( -5.217 0.000 2.368) 5.730 21.179 ( -8.787 0.000 -0.696) 8.814 21.610 ( -4.687 0.000 6.911) 8.350 21.757 ( -2.096 0.000 -6.350) 6.687 22.163 ( 7.881 -0.000 0.866) 7.928 22.177 ( 8.360 -0.000 -0.465) 8.373 23.522 ( 11.412 -0.000 2.590) 11.702 23.595 ( 4.002 -0.000 -4.357) 5.916 24.094 ( -2.846 0.000 7.093) 7.642 24.236 ( -5.845 0.000 -6.311) 8.602 24.501 ( -4.159 0.000 5.702) 7.058 24.622 ( -4.286 0.000 -5.510) 6.981 26.375 ( -3.964 0.000 2.776) 4.840 26.427 ( -6.392 0.000 -2.039) 6.709 ======================= Grid point 104 (40/50) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 16.706 4.561 4.562) 17.908 2.327 ( 13.724 2.334 -2.608) 14.163 2.594 ( 2.341 -3.776 5.528) 7.092 2.694 ( 1.440 0.264 -4.785) 5.004 2.890 ( 12.014 -3.720 6.032) 13.948 2.985 ( 12.018 -3.274 0.185) 12.458 3.228 ( 0.592 10.922 0.571) 10.953 3.263 ( 1.791 15.645 1.669) 15.835 3.314 ( -0.492 5.933 2.215) 6.352 3.493 ( -0.276 1.073 9.448) 9.512 3.500 ( 4.695 2.532 -9.655) 11.031 3.715 ( 1.515 1.033 -9.369) 9.547 3.889 ( 4.977 10.291 -0.083) 11.431 3.994 ( 2.322 3.820 -11.097) 11.963 4.172 ( 7.530 7.054 6.974) 12.453 4.287 ( 10.131 6.078 -5.303) 12.950 4.508 ( -4.152 -1.162 9.573) 10.500 4.695 ( -0.901 -3.456 -4.512) 5.754 4.746 ( -2.562 3.789 0.876) 4.657 4.763 ( 2.094 0.843 -1.295) 2.603 4.808 ( 7.296 -10.411 -0.423) 12.720 4.820 ( 6.133 -4.579 -3.906) 8.593 4.924 ( -0.764 -7.261 1.919) 7.549 4.961 ( -6.077 -3.777 -1.325) 7.277 5.145 ( 8.460 -0.177 4.609) 9.636 5.214 ( 10.331 2.023 -2.264) 10.768 5.312 ( 3.837 -1.497 0.728) 4.183 5.324 ( 3.444 2.122 -0.463) 4.071 5.587 ( -9.314 -0.999 2.590) 9.719 5.682 ( -5.028 -2.842 -6.461) 8.666 5.932 ( -3.609 -1.163 0.848) 3.885 5.942 ( -2.919 -0.628 -0.201) 2.993 6.018 ( 1.990 -1.164 6.426) 6.827 6.093 ( -0.057 3.130 -0.075) 3.132 6.274 ( -7.495 -4.080 0.884) 8.579 6.298 ( -6.231 -5.532 -0.375) 8.341 6.481 ( -6.093 -1.328 7.367) 9.652 6.595 ( -1.613 5.692 -0.120) 5.917 6.717 ( -10.069 12.583 -1.750) 16.210 6.794 ( -10.980 6.426 -7.027) 14.534 6.931 ( -5.590 0.012 5.539) 7.869 7.001 ( -5.333 1.066 -0.087) 5.439 7.187 ( -0.919 -6.433 -0.604) 6.527 7.233 ( -1.030 -1.240 -3.749) 4.081 7.330 ( 1.561 -4.153 3.828) 5.860 7.422 ( 0.228 -3.054 -4.928) 5.802 7.543 ( 1.660 -1.827 1.306) 2.793 7.569 ( 2.031 -3.534 -1.334) 4.289 8.005 ( -1.498 -1.400 5.761) 6.115 8.037 ( 3.803 2.540 3.118) 5.534 8.166 ( -2.750 2.084 -2.345) 4.172 8.203 ( -5.640 -2.146 -5.699) 8.300 8.558 ( -3.143 1.338 1.085) 3.584 8.585 ( -2.343 0.354 -1.857) 3.011 8.761 ( 1.588 2.778 6.799) 7.515 8.882 ( 5.702 2.563 -4.456) 7.677 9.252 ( 0.981 2.918 3.489) 4.653 9.341 ( -0.425 -2.924 -4.546) 5.422 10.160 ( -11.587 -1.315 2.472) 11.920 10.238 ( -8.606 -0.284 -5.073) 9.994 10.352 ( 13.993 -1.267 5.876) 15.230 10.474 ( 8.867 0.233 -4.724) 10.049 11.067 ( 1.594 0.602 8.872) 9.035 11.249 ( 3.711 0.652 -7.603) 8.485 11.399 ( 5.631 -0.619 2.053) 6.026 11.454 ( 5.297 -1.031 -3.208) 6.278 11.608 ( 7.846 -0.043 2.878) 8.357 11.659 ( 7.796 -0.266 -1.980) 8.048 12.693 ( -0.405 -0.016 2.956) 2.983 12.750 ( -0.994 -1.664 -2.236) 2.959 13.308 ( 0.830 -0.349 1.403) 1.668 13.342 ( 0.804 -2.835 -1.650) 3.377 13.538 ( -2.664 -2.034 5.332) 6.298 13.675 ( -3.016 -1.517 -7.721) 8.427 14.007 ( -3.846 -0.796 5.807) 7.011 14.101 ( -2.308 -0.536 -3.256) 4.026 14.317 ( 2.900 0.886 1.144) 3.241 14.344 ( 1.811 1.333 -1.231) 2.564 14.685 ( 1.357 -0.324 0.345) 1.437 14.693 ( 1.215 -0.305 -0.331) 1.296 15.232 ( -4.815 1.877 1.295) 5.328 15.261 ( -5.562 1.841 -1.321) 6.006 15.544 ( 1.053 2.442 1.696) 3.154 15.580 ( 0.215 2.992 -1.579) 3.390 15.922 ( 6.996 -5.081 1.500) 8.775 15.954 ( 7.062 -6.386 -1.383) 9.621 17.263 ( 3.091 5.421 2.731) 6.812 17.319 ( 3.202 4.092 -2.400) 5.723 17.433 ( 5.759 -2.882 5.307) 8.345 17.556 ( 6.331 -1.744 -5.739) 8.721 18.886 ( 3.837 -1.281 3.382) 5.273 18.966 ( 6.831 -0.960 -3.889) 7.918 19.279 ( -5.906 3.640 0.636) 6.967 19.290 ( -6.248 3.428 -0.376) 7.137 20.461 ( 5.125 -0.324 1.769) 5.431 20.512 ( 2.055 0.940 -3.070) 3.812 20.693 ( 5.737 0.497 2.636) 6.333 20.751 ( 4.819 -1.297 -3.028) 5.838 20.975 ( -1.682 -0.061 3.170) 3.589 21.047 ( -0.042 0.527 -3.838) 3.874 21.117 ( 5.844 0.353 0.239) 5.860 21.121 ( 5.462 0.038 -0.202) 5.465 21.546 ( -2.576 -0.191 9.626) 9.966 21.727 ( -1.716 -0.565 -7.147) 7.372 22.279 ( 6.161 0.868 1.217) 6.340 22.303 ( 6.377 0.359 -0.992) 6.464 23.622 ( 4.901 5.882 1.971) 7.906 23.679 ( 7.111 2.759 -3.401) 8.352 24.034 ( -5.432 -1.627 5.267) 7.740 24.146 ( -7.232 -3.469 -5.390) 9.664 24.406 ( -7.437 -1.439 6.237) 9.813 24.527 ( -7.309 -1.486 -5.051) 9.008 26.334 ( -1.040 -0.417 0.863) 1.414 26.350 ( -2.796 -0.302 -0.586) 2.873 ======================= Grid point 105 (41/50) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 6.410 9.927 -1.076) 11.866 2.436 ( 7.231 8.966 -7.361) 13.670 2.595 ( -2.095 1.775 0.528) 2.796 2.644 ( -3.197 1.450 -3.325) 4.835 2.920 ( -3.045 17.925 3.779) 18.570 2.980 ( -0.710 20.566 0.565) 20.586 3.105 ( 4.838 2.610 6.892) 8.816 3.246 ( 7.083 1.852 1.501) 7.474 3.297 ( 0.674 -0.012 5.476) 5.517 3.407 ( 0.054 6.865 0.526) 6.885 3.609 ( 4.249 -1.022 8.719) 9.753 3.757 ( 5.597 5.195 2.036) 7.903 3.853 ( -3.326 1.934 -4.777) 6.133 4.027 ( 5.796 4.314 -14.509) 16.209 4.132 ( -2.034 8.322 4.784) 9.813 4.199 ( -13.154 9.508 -3.314) 16.566 4.258 ( -25.302 6.042 3.391) 26.233 4.305 ( -23.646 5.204 -0.132) 24.212 4.600 ( -13.181 5.351 -3.818) 14.729 4.628 ( -5.848 -2.129 -3.211) 7.003 4.687 ( -18.697 -0.904 -0.521) 18.726 4.732 ( -11.902 2.511 -6.185) 13.646 5.083 ( -3.979 -1.945 4.894) 6.601 5.101 ( -0.954 -1.332 2.303) 2.826 5.191 ( -0.127 2.600 0.350) 2.627 5.225 ( -3.893 2.829 -1.662) 5.092 5.375 ( 6.723 -5.146 1.012) 8.527 5.413 ( 10.571 -3.185 -1.534) 11.147 5.503 ( -7.089 -9.247 2.407) 11.898 5.591 ( -8.354 -2.488 -5.483) 10.298 5.817 ( -8.698 5.549 2.735) 10.674 5.842 ( -8.351 7.816 0.563) 11.452 6.068 ( 0.346 -2.861 0.708) 2.968 6.090 ( 1.250 -3.573 -1.333) 4.013 6.284 ( 6.228 -0.813 4.359) 7.645 6.349 ( 3.757 1.449 2.450) 4.714 6.390 ( -3.682 2.850 4.523) 6.491 6.442 ( -0.516 6.846 1.022) 6.941 6.529 ( -1.199 -0.847 -0.600) 1.586 6.630 ( -6.113 -0.962 -6.105) 8.693 6.881 ( -2.864 -3.929 2.997) 5.712 6.993 ( 0.718 -4.896 -4.245) 6.519 7.233 ( 2.448 0.156 3.621) 4.374 7.287 ( -0.182 -6.059 -0.141) 6.063 7.389 ( 0.299 -2.522 -0.541) 2.596 7.420 ( -1.796 -2.036 -3.739) 4.621 7.652 ( 4.978 -3.287 2.141) 6.338 7.704 ( 5.734 -4.493 -3.040) 7.894 7.951 ( -6.650 3.153 5.245) 9.037 8.031 ( -4.442 -3.926 5.295) 7.949 8.055 ( -3.057 3.533 -1.902) 5.044 8.196 ( 0.432 -3.763 -7.896) 8.758 8.466 ( -4.391 2.104 2.576) 5.509 8.524 ( -3.557 2.350 -3.214) 5.339 8.775 ( 3.901 3.531 8.399) 9.911 8.941 ( 5.267 3.732 -7.535) 9.922 9.242 ( 1.845 0.665 6.682) 6.964 9.374 ( 0.789 -3.139 -5.724) 6.576 9.995 ( -11.014 -3.278 3.382) 11.979 10.099 ( -8.291 -0.464 -6.415) 10.494 10.577 ( 11.308 0.052 2.665) 11.618 10.626 ( 9.257 0.922 -1.348) 9.400 11.079 ( 1.159 1.301 10.405) 10.550 11.294 ( 3.026 1.440 -9.113) 9.710 11.609 ( 17.305 -0.976 2.181) 17.470 11.665 ( 17.482 -1.145 -3.161) 17.803 11.842 ( 19.014 0.088 3.235) 19.287 11.901 ( 19.274 -0.384 -2.333) 19.418 12.691 ( -0.172 -0.394 3.657) 3.682 12.769 ( -0.293 -2.691 -3.406) 4.350 13.328 ( 0.212 -1.062 2.828) 3.028 13.389 ( -0.117 -3.337 -2.759) 4.331 13.488 ( -6.986 -2.816 4.791) 8.926 13.614 ( -7.175 -2.430 -7.345) 10.552 13.923 ( -7.610 -1.222 6.282) 9.943 14.025 ( -6.892 -0.166 -3.665) 7.808 14.341 ( 1.931 2.183 0.689) 2.995 14.356 ( 1.849 2.090 -0.670) 2.870 14.709 ( 1.069 -0.222 0.249) 1.120 14.714 ( 0.996 -0.224 -0.240) 1.049 15.154 ( -2.690 0.117 0.883) 2.833 15.174 ( -3.223 -0.004 -0.888) 3.343 15.566 ( 5.934 3.275 1.031) 6.856 15.589 ( 5.429 3.229 -1.028) 6.400 16.095 ( 5.224 -5.394 2.368) 7.874 16.145 ( 5.342 -6.878 -2.138) 8.967 17.236 ( 3.100 7.126 3.537) 8.538 17.310 ( 3.976 6.642 -3.232) 8.389 17.529 ( 2.794 -0.129 4.994) 5.724 17.644 ( 2.883 0.625 -5.354) 6.113 18.954 ( 1.201 -2.483 5.055) 5.759 19.068 ( 1.560 0.424 -4.964) 5.220 19.141 ( -3.652 5.323 0.731) 6.496 19.162 ( -0.776 3.209 -1.544) 3.645 20.461 ( -4.514 1.762 0.208) 4.850 20.465 ( -4.755 1.866 -0.015) 5.109 20.820 ( 10.532 1.577 1.632) 10.774 20.869 ( 8.485 -0.014 -3.043) 9.014 20.975 ( 3.868 0.358 2.322) 4.526 21.035 ( 1.899 1.636 -3.905) 4.640 21.232 ( 5.825 0.716 2.382) 6.334 21.257 ( 8.714 -0.002 -0.547) 8.731 21.548 ( 1.712 -1.684 8.408) 8.744 21.713 ( -1.302 -1.068 -6.575) 6.788 22.330 ( 2.921 3.997 1.569) 5.193 22.364 ( 3.215 3.493 -1.538) 4.990 23.557 ( -1.735 9.858 4.448) 10.953 23.680 ( -0.427 7.184 -7.502) 10.396 23.973 ( -4.945 -3.196 6.035) 8.432 24.086 ( -7.151 -5.726 -5.315) 10.591 24.326 ( -5.948 -5.776 6.600) 10.597 24.444 ( -5.989 -4.331 -4.573) 8.691 26.338 ( 0.305 -1.263 0.831) 1.542 26.354 ( 1.416 -1.745 -0.680) 2.348 ======================= Grid point 106 (42/50) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -5.420 28.564 -5.651) 29.618 2.171 ( -1.874 28.119 -6.444) 28.908 2.532 ( -5.873 1.690 -0.205) 6.115 2.547 ( -7.325 0.621 -0.993) 7.418 2.767 ( 1.855 6.197 8.101) 10.367 2.844 ( 1.667 5.083 1.425) 5.536 3.043 ( -1.810 11.122 1.412) 11.356 3.160 ( 1.469 17.466 -6.286) 18.621 3.261 ( -28.434 7.478 3.021) 29.556 3.290 ( -32.905 6.464 -0.670) 33.540 3.388 ( -0.048 -1.403 2.591) 2.947 3.430 ( -19.038 4.193 -1.244) 19.534 3.664 ( -22.362 2.064 9.871) 24.531 3.691 ( -8.576 5.558 10.815) 14.880 3.753 ( -23.653 8.370 -2.683) 25.234 3.958 ( -6.789 7.494 0.496) 10.124 4.052 ( -4.533 12.396 3.682) 13.702 4.186 ( 6.743 3.035 -2.057) 7.675 4.227 ( -8.362 6.710 -5.650) 12.119 4.339 ( -3.455 7.563 -8.723) 12.051 4.615 ( -2.420 3.775 -1.143) 4.628 4.678 ( 1.233 -4.394 -9.278) 10.339 4.966 ( -6.286 8.927 3.208) 11.379 5.003 ( -7.484 7.023 4.181) 11.082 5.032 ( -5.853 2.732 0.700) 6.497 5.179 ( -2.197 -3.119 -6.648) 7.665 5.405 ( -2.548 -0.695 0.773) 2.752 5.439 ( -6.154 0.685 -2.525) 6.687 5.513 ( -4.546 8.453 2.295) 9.869 5.559 ( 0.751 5.205 -2.012) 5.631 5.696 ( -1.135 -2.361 3.608) 4.458 5.727 ( 2.521 -4.307 1.770) 5.295 6.048 ( -2.102 5.689 4.665) 7.652 6.132 ( 0.022 -2.875 -0.595) 2.936 6.216 ( 0.145 3.469 -1.274) 3.698 6.258 ( -4.266 5.688 -2.961) 7.702 6.476 ( 2.204 -3.221 3.107) 4.988 6.482 ( 4.748 -3.531 3.499) 6.874 6.601 ( 2.111 -6.972 -0.018) 7.284 6.684 ( 3.799 -5.015 -4.689) 7.846 6.905 ( -4.182 -7.422 4.508) 9.638 7.070 ( -2.456 -7.594 -7.696) 11.088 7.259 ( 1.204 0.631 10.414) 10.503 7.344 ( 0.649 -3.780 2.796) 4.746 7.412 ( -0.571 -3.019 -4.319) 5.300 7.462 ( 2.949 -0.659 -6.505) 7.173 7.702 ( -3.019 0.592 5.469) 6.275 7.802 ( 0.821 0.630 -4.611) 4.725 7.829 ( -3.153 -1.578 1.854) 3.983 7.889 ( -6.549 0.724 -3.284) 7.362 8.096 ( 2.346 -1.717 8.483) 8.967 8.257 ( 1.747 -1.304 -7.234) 7.556 8.381 ( -3.923 -0.460 2.047) 4.449 8.433 ( -3.999 -0.101 -2.208) 4.569 8.788 ( 3.269 3.850 7.381) 8.944 8.950 ( 2.110 4.030 -8.076) 9.269 9.327 ( 6.130 -3.053 7.056) 9.833 9.456 ( 3.855 -3.425 -4.884) 7.103 9.879 ( -9.259 -5.406 2.870) 11.099 9.973 ( -7.173 0.027 -5.703) 9.164 10.726 ( 7.708 1.665 1.400) 8.009 10.748 ( 7.235 1.891 -0.275) 7.483 11.073 ( 0.476 1.803 11.273) 11.426 11.317 ( 2.237 1.961 -10.777) 11.180 11.967 ( 22.755 -1.036 2.482) 22.914 12.031 ( 23.224 -0.961 -3.577) 23.518 12.201 ( 22.764 0.412 3.763) 23.076 12.268 ( 22.909 0.124 -2.706) 23.069 12.696 ( -0.019 -0.678 4.790) 4.838 12.800 ( -0.098 -2.623 -4.770) 5.445 13.313 ( -5.452 0.122 3.058) 6.252 13.378 ( -5.984 -2.812 3.312) 7.395 13.392 ( -6.689 -0.634 -1.086) 6.806 13.514 ( -7.994 -3.902 -6.712) 11.143 13.792 ( -9.915 -2.083 5.860) 11.704 13.893 ( -8.433 -0.497 -3.872) 9.292 14.322 ( 0.234 3.686 0.989) 3.824 14.343 ( 0.345 3.203 -0.847) 3.331 14.737 ( 1.396 -1.497 0.271) 2.065 14.743 ( 1.437 -1.618 -0.251) 2.178 15.134 ( -1.340 -1.707 0.556) 2.240 15.146 ( -1.844 -1.803 -0.559) 2.639 15.658 ( 9.440 3.108 0.785) 9.969 15.676 ( 8.936 2.701 -0.802) 9.369 16.211 ( 2.510 -2.134 3.730) 4.977 16.290 ( 3.023 -4.811 -3.400) 6.621 17.196 ( 2.560 6.877 4.334) 8.522 17.289 ( 3.723 7.250 -4.243) 9.188 17.519 ( -0.503 4.889 4.793) 6.865 17.630 ( -0.501 4.735 -5.380) 7.184 18.952 ( -2.997 2.705 1.701) 4.381 18.973 ( -3.120 5.955 -0.723) 6.762 19.059 ( -0.496 -0.534 6.578) 6.618 19.230 ( 3.795 -3.461 -8.691) 10.095 20.329 ( -6.650 2.805 0.405) 7.229 20.332 ( -6.299 2.433 0.025) 6.753 20.989 ( 12.551 2.978 0.821) 12.926 21.022 ( 10.349 1.911 -2.595) 10.839 21.070 ( 8.106 2.095 0.475) 8.386 21.083 ( 7.209 2.697 -0.845) 7.743 21.286 ( 2.410 0.916 7.079) 7.533 21.385 ( 6.133 0.121 -2.740) 6.719 21.624 ( 2.819 -2.428 3.030) 4.798 21.703 ( -1.735 -1.013 -3.944) 4.426 22.259 ( -2.150 8.926 2.163) 9.433 22.308 ( -1.406 8.278 -2.288) 8.703 23.329 ( -8.756 11.217 7.273) 15.981 23.522 ( -7.066 6.023 -11.040) 14.425 23.934 ( -5.343 -4.226 6.331) 9.300 24.033 ( -7.567 -6.498 -3.568) 10.593 24.370 ( 0.120 -7.915 3.997) 8.867 24.450 ( -0.733 -5.396 -3.296) 6.366 26.382 ( 1.837 -2.588 1.974) 3.737 26.423 ( 2.760 -3.352 -1.769) 4.689 ======================= Grid point 107 (43/50) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -6.366 32.822 0.761) 33.443 1.776 ( -1.748 29.310 -10.469) 31.172 2.127 ( -40.628 15.222 4.530) 43.622 2.254 ( -33.417 14.068 -7.498) 37.024 2.473 ( -15.037 4.596 1.971) 15.847 2.503 ( -11.043 2.670 -1.091) 11.413 2.772 ( 0.614 4.231 11.584) 12.348 2.897 ( 0.305 11.591 6.727) 13.405 2.964 ( 1.291 11.036 -4.614) 12.032 3.056 ( -4.730 4.014 -6.182) 8.758 3.130 ( -18.122 3.746 0.113) 18.505 3.192 ( -21.893 7.655 -3.211) 23.414 3.388 ( -0.033 1.881 2.332) 2.997 3.414 ( 0.695 0.098 -0.713) 1.001 3.561 ( -8.476 9.242 10.787) 16.542 3.671 ( 0.481 24.021 10.361) 26.165 3.782 ( -1.644 20.044 0.019) 20.112 3.915 ( -6.373 11.309 -19.748) 23.632 4.292 ( 5.453 2.547 3.169) 6.802 4.359 ( 4.279 5.993 -2.226) 7.693 4.527 ( -0.971 3.764 7.266) 8.240 4.687 ( -4.158 9.139 -1.147) 10.106 4.723 ( -5.931 10.211 -0.391) 11.815 4.828 ( -2.082 -0.192 -3.573) 4.140 4.899 ( -5.947 4.223 -0.442) 7.307 5.079 ( -6.289 8.497 -7.149) 12.762 5.343 ( 0.333 1.531 2.886) 3.284 5.374 ( -0.129 -0.062 0.472) 0.493 5.428 ( -2.218 0.742 4.394) 4.978 5.560 ( 5.414 5.206 -6.594) 9.995 5.686 ( -1.351 -5.901 3.114) 6.808 5.741 ( -0.304 2.601 -2.057) 3.330 5.989 ( -4.253 -0.812 6.151) 7.522 6.123 ( -1.301 -2.488 6.390) 6.979 6.159 ( -3.075 1.490 -9.058) 9.681 6.256 ( 1.712 -3.831 -6.007) 7.327 6.559 ( 0.519 -2.017 6.050) 6.399 6.584 ( 4.872 -3.795 3.943) 7.327 6.698 ( -0.148 -4.831 0.267) 4.841 6.775 ( 2.667 -0.435 -4.373) 5.140 6.891 ( -7.883 -6.596 7.286) 12.599 7.091 ( -4.930 -7.170 -8.573) 12.215 7.280 ( 1.811 -0.585 8.369) 8.582 7.405 ( 0.520 -2.339 3.224) 4.017 7.434 ( 0.641 -0.494 -6.048) 6.102 7.481 ( -1.192 -0.461 -3.750) 3.962 7.669 ( 1.465 -0.185 3.229) 3.551 7.745 ( -1.824 1.622 -3.211) 4.033 7.792 ( -2.427 4.155 1.108) 4.938 7.817 ( -2.824 0.236 -0.923) 2.981 8.152 ( 2.053 -0.851 3.840) 4.437 8.238 ( 0.581 6.274 -4.120) 7.528 8.382 ( -2.029 -6.725 1.428) 7.168 8.418 ( -2.438 -5.933 -1.327) 6.550 8.802 ( 2.549 1.597 5.895) 6.618 8.942 ( 1.265 1.404 -7.052) 7.301 9.493 ( 7.276 -4.424 5.244) 10.000 9.580 ( 6.178 -2.817 -2.261) 7.157 9.807 ( -7.700 -4.719 0.056) 9.031 9.850 ( -6.754 0.925 -2.865) 7.394 10.796 ( 3.949 2.673 1.158) 4.907 10.818 ( 4.156 2.477 -0.606) 4.876 11.053 ( -0.113 1.789 11.693) 11.830 11.320 ( 1.220 2.230 -12.572) 12.827 12.362 ( 21.936 -0.660 2.719) 22.114 12.425 ( 21.136 -0.272 -3.122) 21.367 12.555 ( 18.843 0.864 3.551) 19.194 12.621 ( 17.957 1.003 -2.542) 18.164 12.716 ( 2.262 -1.243 4.897) 5.536 12.825 ( -0.636 -1.780 -5.175) 5.509 13.127 ( -13.800 0.278 2.680) 14.060 13.204 ( -13.896 1.459 -3.839) 14.490 13.326 ( -4.865 -1.191 5.413) 7.375 13.424 ( -8.029 -1.456 -3.137) 8.742 13.667 ( -7.860 -3.267 5.724) 10.257 13.798 ( -4.201 -2.764 -6.181) 7.969 14.268 ( -0.509 4.180 1.511) 4.474 14.295 ( -0.468 3.822 -1.015) 3.982 14.799 ( 1.832 -4.016 0.485) 4.440 14.809 ( 1.940 -4.361 -0.416) 4.791 15.138 ( -1.162 -2.014 0.241) 2.338 15.143 ( -1.553 -2.051 -0.245) 2.585 15.788 ( 9.278 2.383 0.665) 9.602 15.801 ( 8.359 1.751 -0.555) 8.558 16.215 ( -0.912 4.311 6.549) 7.894 16.359 ( 0.717 -1.020 -6.459) 6.578 17.156 ( 1.098 4.515 4.003) 6.133 17.246 ( 0.949 7.018 -4.399) 8.337 17.406 ( -1.389 9.114 4.817) 10.401 17.519 ( -2.040 8.789 -5.850) 10.754 18.843 ( -1.781 6.352 0.351) 6.606 18.854 ( -1.698 6.526 -0.777) 6.788 19.098 ( -0.919 -6.473 10.633) 12.482 19.337 ( 1.649 -6.280 -11.483) 13.192 20.206 ( -3.329 2.831 1.168) 4.523 20.221 ( -2.930 1.981 -0.419) 3.562 21.149 ( 8.241 2.701 1.502) 8.801 21.158 ( 11.856 3.302 0.057) 12.307 21.186 ( 9.578 4.222 -0.036) 10.468 21.195 ( 9.790 2.942 -0.707) 10.246 21.304 ( 0.720 0.486 6.741) 6.797 21.439 ( 0.433 1.344 -5.375) 5.557 21.647 ( -3.477 0.030 1.379) 3.741 21.683 ( -1.626 -0.942 -1.940) 2.701 22.043 ( -6.220 12.925 3.444) 14.751 22.123 ( -4.697 11.672 -3.890) 13.169 23.022 ( -8.955 12.606 12.187) 19.688 23.331 ( -6.322 5.685 -17.208) 19.194 23.916 ( -4.250 -6.870 7.882) 11.287 24.020 ( -4.750 -8.614 -2.782) 10.222 24.486 ( 1.844 -6.847 1.952) 7.354 24.531 ( 1.898 -5.105 -2.028) 5.811 26.454 ( 1.741 -3.858 3.362) 5.406 26.522 ( 2.375 -5.372 -2.836) 6.522 ======================= Grid point 108 (44/50) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -0.000 26.311 7.564) 27.377 1.418 ( -0.000 23.575 7.653) 24.786 1.468 ( -0.000 16.695 -14.801) 22.311 1.615 ( -0.000 21.914 -10.778) 24.421 2.328 ( -0.000 2.487 4.611) 5.239 2.398 ( -0.000 1.505 -2.247) 2.704 2.606 ( -0.000 27.904 7.093) 28.791 2.770 ( -0.000 10.508 -6.992) 12.622 2.785 ( -0.000 22.159 12.539) 25.461 2.843 ( -0.000 9.021 1.127) 9.091 2.862 ( -0.000 12.223 -0.589) 12.237 3.031 ( 0.000 -1.283 -5.151) 5.308 3.286 ( -0.000 12.713 15.847) 20.316 3.409 ( -0.000 1.416 -2.450) 2.830 3.417 ( -0.000 0.004 -3.726) 3.726 3.493 ( -0.000 3.321 5.858) 6.734 3.603 ( -0.000 8.885 -3.006) 9.379 3.700 ( -0.000 12.085 -23.407) 26.342 4.289 ( -0.000 8.129 -0.029) 8.129 4.292 ( -0.000 6.578 -0.176) 6.580 4.495 ( -0.000 11.140 2.121) 11.340 4.500 ( -0.000 0.182 15.427) 15.428 4.538 ( -0.000 9.980 -1.671) 10.119 4.685 ( -0.000 12.597 13.141) 18.204 4.857 ( -0.000 2.559 -17.562) 17.748 4.864 ( -0.000 14.583 -4.963) 15.404 5.342 ( -0.000 2.394 6.407) 6.840 5.420 ( 0.000 -4.961 0.826) 5.029 5.426 ( 0.000 -8.797 0.180) 8.799 5.493 ( -0.000 7.543 -7.270) 10.477 5.800 ( 0.000 -9.216 1.165) 9.289 5.848 ( 0.000 -6.634 -3.911) 7.701 5.859 ( -0.000 4.180 8.470) 9.446 6.072 ( -0.000 4.335 -12.249) 12.994 6.201 ( 0.000 -5.267 7.591) 9.239 6.324 ( 0.000 -3.960 -4.677) 6.128 6.547 ( -0.000 0.396 9.045) 9.053 6.685 ( 0.000 -1.707 -4.078) 4.421 6.736 ( 0.000 -2.661 2.176) 3.437 6.814 ( -0.000 0.239 -4.889) 4.895 6.863 ( 0.000 -8.365 15.003) 17.178 7.135 ( 0.000 -8.385 -9.895) 12.970 7.311 ( -0.000 0.359 5.629) 5.641 7.418 ( 0.000 -2.728 2.785) 3.898 7.431 ( -0.000 3.513 -5.938) 6.899 7.490 ( 0.000 -1.477 -3.903) 4.173 7.672 ( -0.000 7.101 5.024) 8.699 7.689 ( -0.000 1.395 2.231) 2.631 7.741 ( -0.000 0.347 -2.675) 2.697 7.760 ( -0.000 2.759 -3.477) 4.439 8.157 ( -0.000 5.850 1.280) 5.988 8.183 ( 0.000 -0.490 -1.066) 1.174 8.456 ( 0.000 -8.191 1.074) 8.261 8.485 ( 0.000 -7.198 -1.363) 7.326 8.821 ( 0.000 -0.361 5.372) 5.385 8.950 ( 0.000 -0.336 -6.467) 6.476 9.657 ( 0.000 -6.474 6.155) 8.933 9.674 ( -0.000 8.921 0.971) 8.974 9.706 ( -0.000 2.454 -1.322) 2.787 9.778 ( 0.000 -6.675 -4.982) 8.329 10.794 ( -0.000 2.940 1.325) 3.225 10.821 ( -0.000 2.644 -1.196) 2.902 11.033 ( -0.000 0.970 11.020) 11.062 11.302 ( -0.000 2.254 -13.679) 13.863 12.633 ( 0.000 -0.184 1.868) 1.877 12.647 ( -0.000 0.087 7.163) 7.164 12.681 ( 0.000 -0.535 -2.691) 2.743 12.756 ( -0.000 3.098 -2.236) 3.821 12.829 ( 0.000 -0.045 2.092) 2.092 12.864 ( 0.000 -0.380 -1.261) 1.317 12.932 ( -0.000 1.015 -2.006) 2.248 12.965 ( -0.000 3.525 -3.774) 5.164 13.280 ( 0.000 -1.880 5.636) 5.942 13.344 ( 0.000 -1.404 -0.434) 1.470 13.640 ( 0.000 -3.497 6.107) 7.037 13.807 ( 0.000 -3.104 -8.619) 9.161 14.215 ( -0.000 3.290 1.905) 3.802 14.245 ( -0.000 3.161 -1.003) 3.316 14.883 ( 0.000 -5.692 0.926) 5.767 14.901 ( 0.000 -6.580 -0.743) 6.622 15.147 ( 0.000 -1.579 0.078) 1.581 15.149 ( 0.000 -1.573 -0.078) 1.575 15.866 ( -0.000 1.097 0.065) 1.099 15.868 ( -0.000 1.057 -0.065) 1.059 16.088 ( -0.000 11.434 10.861) 15.770 16.343 ( -0.000 3.747 -12.229) 12.790 17.102 ( -0.000 8.231 1.978) 8.466 17.140 ( -0.000 7.772 -1.510) 7.918 17.302 ( -0.000 5.117 2.772) 5.820 17.387 ( -0.000 7.790 -5.276) 9.409 18.747 ( -0.000 6.495 0.316) 6.502 18.758 ( -0.000 6.551 -0.732) 6.592 19.191 ( 0.000 -9.927 11.660) 15.313 19.441 ( 0.000 -8.352 -11.775) 14.436 20.149 ( -0.000 2.157 2.706) 3.461 20.190 ( 0.000 -0.160 -1.276) 1.286 21.190 ( -0.000 4.809 7.886) 9.237 21.264 ( -0.000 1.282 0.154) 1.291 21.268 ( -0.000 1.287 -0.228) 1.307 21.294 ( -0.000 1.082 0.308) 1.125 21.299 ( -0.000 1.074 -0.235) 1.100 21.346 ( -0.000 6.771 -6.665) 9.501 21.551 ( -0.000 5.004 3.784) 6.274 21.633 ( -0.000 4.223 -4.386) 6.088 21.825 ( -0.000 9.045 5.218) 10.442 21.935 ( -0.000 9.231 -5.466) 10.729 22.763 ( -0.000 14.831 16.855) 22.451 23.188 ( -0.000 7.871 -23.944) 25.205 23.976 ( 0.000 -8.549 10.059) 13.201 24.092 ( 0.000 -9.258 -2.564) 9.607 24.576 ( 0.000 -4.427 1.682) 4.736 24.619 ( 0.000 -5.674 -2.177) 6.078 26.526 ( 0.000 -5.081 5.251) 7.307 26.625 ( 0.000 -7.439 -3.793) 8.350 ======================= Grid point 113 (45/50) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 3.092 -0.000 2.005) 3.685 2.515 ( 10.414 -0.000 2.720) 10.763 2.609 ( 6.881 -0.000 4.711) 8.339 2.663 ( -2.468 0.000 -0.659) 2.555 3.059 ( 5.491 -0.000 -0.576) 5.521 3.104 ( 8.828 -0.000 -5.458) 10.379 3.329 ( -0.928 0.000 11.489) 11.526 3.364 ( 1.757 -0.000 4.685) 5.003 3.367 ( 0.023 -0.000 3.253) 3.253 3.551 ( 2.596 -0.000 -1.546) 3.022 3.630 ( 0.515 -0.000 -9.144) 9.158 3.641 ( 2.244 -0.000 -14.596) 14.767 4.060 ( 2.316 -0.000 -0.684) 2.415 4.121 ( 5.305 -0.000 -6.297) 8.234 4.124 ( -8.081 0.000 10.332) 13.117 4.281 ( -18.091 0.000 -4.897) 18.742 4.425 ( -23.319 0.000 2.631) 23.467 4.459 ( -28.972 0.000 -0.120) 28.972 4.592 ( -16.880 0.000 0.926) 16.905 4.594 ( -28.156 0.000 2.142) 28.237 4.621 ( 3.256 -0.000 7.663) 8.326 4.835 ( 0.025 -0.000 -10.877) 10.877 4.963 ( 3.468 -0.000 -0.183) 3.473 4.992 ( 11.134 -0.000 -2.379) 11.385 5.222 ( -2.817 0.000 2.053) 3.486 5.225 ( 5.244 -0.000 1.756) 5.530 5.306 ( -2.544 0.000 0.367) 2.570 5.333 ( -3.063 0.000 -2.160) 3.749 5.536 ( -5.495 0.000 1.203) 5.625 5.594 ( -1.734 0.000 -4.887) 5.186 5.859 ( -0.809 0.000 2.244) 2.385 5.902 ( 0.771 -0.000 -1.896) 2.047 6.003 ( -0.186 0.000 6.414) 6.417 6.115 ( 1.458 -0.000 -4.249) 4.492 6.162 ( 0.055 -0.000 6.895) 6.895 6.226 ( 4.360 -0.000 -0.177) 4.364 6.433 ( 0.455 -0.000 8.403) 8.415 6.615 ( -2.337 0.000 -7.686) 8.033 6.671 ( -6.235 0.000 0.132) 6.237 6.723 ( -2.881 0.000 -5.212) 5.955 6.893 ( -5.456 0.000 3.008) 6.230 6.928 ( -0.940 0.000 0.440) 1.038 7.086 ( -1.245 0.000 4.955) 5.109 7.176 ( -2.368 0.000 -3.600) 4.309 7.373 ( 3.339 -0.000 -0.594) 3.391 7.392 ( -2.205 0.000 -2.683) 3.472 7.609 ( 6.534 -0.000 1.439) 6.691 7.628 ( 7.272 -0.000 -0.598) 7.297 7.970 ( -1.386 0.000 6.659) 6.801 7.989 ( -11.521 0.000 4.655) 12.426 8.100 ( -7.476 0.000 -3.512) 8.260 8.146 ( 1.925 -0.000 -7.366) 7.614 8.529 ( -3.069 0.000 0.375) 3.092 8.548 ( -1.510 0.000 -1.916) 2.440 8.821 ( 3.781 -0.000 9.467) 10.194 8.989 ( 5.334 -0.000 -6.098) 8.102 9.286 ( -0.245 0.000 -0.260) 0.357 9.291 ( -1.462 0.000 -0.897) 1.716 9.953 ( -11.596 0.000 4.570) 12.464 10.092 ( -8.157 0.000 -8.774) 11.980 10.576 ( 12.599 -0.000 3.097) 12.974 10.637 ( 9.734 -0.000 -1.971) 9.931 11.098 ( 1.438 -0.000 11.151) 11.244 11.314 ( 3.162 -0.000 -8.637) 9.197 11.596 ( 17.408 -0.000 2.042) 17.528 11.650 ( 17.842 -0.000 -3.046) 18.100 11.842 ( 19.030 -0.000 2.955) 19.258 11.893 ( 19.398 -0.000 -1.951) 19.495 12.688 ( -0.270 0.000 1.916) 1.935 12.726 ( -0.526 0.000 -1.479) 1.570 13.318 ( 0.269 -0.000 0.530) 0.594 13.334 ( 0.563 -0.000 -0.941) 1.096 13.446 ( -6.772 0.000 5.032) 8.437 13.579 ( -7.270 0.000 -7.892) 10.730 13.906 ( -7.446 0.000 7.010) 10.227 14.020 ( -6.711 0.000 -4.072) 7.850 14.374 ( 2.790 -0.000 0.707) 2.878 14.389 ( 2.347 -0.000 -0.724) 2.456 14.707 ( 1.124 -0.000 0.256) 1.153 14.712 ( 1.030 -0.000 -0.246) 1.058 15.159 ( -4.289 0.000 0.820) 4.366 15.177 ( -4.803 0.000 -0.804) 4.870 15.616 ( 5.462 -0.000 1.105) 5.572 15.640 ( 4.625 -0.000 -1.035) 4.739 16.008 ( 6.521 -0.000 1.396) 6.669 16.038 ( 6.973 -0.000 -1.366) 7.105 17.355 ( 3.130 -0.000 2.189) 3.819 17.404 ( 3.764 -0.000 -2.246) 4.383 17.504 ( 4.690 -0.000 6.357) 7.900 17.642 ( 4.644 -0.000 -6.041) 7.620 18.924 ( 1.448 -0.000 5.588) 5.772 19.061 ( 4.520 -0.000 -7.014) 8.344 19.217 ( -3.771 0.000 0.489) 3.802 19.220 ( -4.543 0.000 0.010) 4.543 20.481 ( -3.529 0.000 0.227) 3.536 20.490 ( -5.080 0.000 -0.615) 5.117 20.841 ( 11.128 -0.000 0.943) 11.168 20.866 ( 9.779 -0.000 -1.560) 9.902 20.978 ( 4.217 -0.000 3.240) 5.318 21.054 ( 2.048 -0.000 -4.252) 4.720 21.243 ( 6.386 -0.000 1.301) 6.517 21.257 ( 8.701 -0.000 -0.327) 8.707 21.527 ( 0.936 -0.000 8.641) 8.692 21.698 ( -1.209 0.000 -7.001) 7.105 22.384 ( 5.198 -0.000 1.229) 5.341 22.409 ( 5.416 -0.000 -1.023) 5.512 23.744 ( 3.805 -0.000 3.460) 5.143 23.835 ( 6.588 -0.000 -4.996) 8.268 23.883 ( -10.375 0.000 3.009) 10.803 23.956 ( -11.541 0.000 -3.871) 12.173 24.250 ( -8.575 0.000 7.028) 11.087 24.376 ( -8.277 0.000 -4.821) 9.579 26.321 ( -0.387 0.000 0.543) 0.667 26.331 ( 0.982 -0.000 -0.400) 1.060 ======================= Grid point 114 (46/50) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -3.078 1.654 1.633) 3.857 2.515 ( -5.381 0.686 -2.336) 5.906 2.667 ( 6.775 8.150 2.445) 10.877 2.739 ( 5.621 7.283 -2.283) 9.479 3.063 ( -2.672 12.096 3.199) 12.794 3.132 ( -1.558 4.618 -1.450) 5.085 3.229 ( 2.071 6.664 5.138) 8.666 3.332 ( -0.288 4.645 0.258) 4.661 3.401 ( -2.287 7.746 -0.099) 8.077 3.449 ( -18.659 3.613 -1.816) 19.092 3.461 ( -13.224 -0.272 6.198) 14.607 3.573 ( -25.929 3.330 -3.985) 26.444 3.727 ( -35.963 5.432 2.278) 36.442 3.805 ( -22.866 1.584 -2.980) 23.114 3.848 ( -22.066 4.464 2.575) 22.659 3.971 ( -10.414 -4.212 -4.832) 12.228 4.149 ( 6.994 1.998 1.039) 7.347 4.202 ( -9.353 -1.140 -1.625) 9.561 4.278 ( 5.649 1.652 2.268) 6.307 4.469 ( -8.836 -2.636 -10.756) 14.167 4.684 ( 4.484 2.889 5.867) 7.930 4.800 ( 1.660 2.383 -4.993) 5.777 4.970 ( -1.978 -1.338 1.558) 2.851 5.023 ( -1.689 -4.408 -3.271) 5.743 5.193 ( -6.179 5.410 0.667) 8.240 5.208 ( -6.967 3.717 -0.692) 7.927 5.278 ( -8.185 -4.238 2.246) 9.487 5.334 ( -6.223 -6.233 -2.708) 9.215 5.476 ( 6.540 -2.207 6.673) 9.600 5.627 ( 10.006 2.863 -8.369) 13.355 5.844 ( 0.287 7.766 6.390) 10.061 5.922 ( 3.268 7.968 -1.229) 8.699 6.048 ( 3.275 -2.295 3.863) 5.560 6.099 ( 4.293 3.026 1.490) 5.460 6.303 ( 2.970 -5.177 3.739) 7.043 6.366 ( 2.734 -5.038 1.288) 5.875 6.440 ( 1.330 0.368 2.182) 2.582 6.514 ( -4.847 7.139 -2.857) 9.090 6.592 ( 2.799 0.249 -6.874) 7.427 6.620 ( 1.560 10.965 -3.578) 11.639 6.785 ( -3.860 0.187 7.051) 8.041 6.947 ( -0.083 -2.827 -5.693) 6.357 7.135 ( -3.263 -10.302 3.271) 11.291 7.209 ( -1.797 -9.542 -3.331) 10.265 7.336 ( -1.684 1.952 5.099) 5.714 7.427 ( 1.416 -1.670 -3.313) 3.971 7.709 ( -0.971 0.619 3.878) 4.046 7.744 ( -1.367 -2.358 0.677) 2.808 7.809 ( 0.884 -1.747 1.888) 2.720 7.891 ( -8.672 -0.007 -4.130) 9.605 8.039 ( 1.341 -1.905 7.153) 7.523 8.199 ( 2.734 -1.455 -6.988) 7.644 8.437 ( -4.773 3.130 1.587) 5.924 8.500 ( -3.361 2.245 -5.305) 6.669 8.877 ( 3.947 2.582 9.748) 10.829 9.051 ( 3.302 3.114 -7.179) 8.493 9.262 ( 0.853 -0.831 3.872) 4.051 9.335 ( 0.829 -5.459 -3.147) 6.356 9.783 ( -9.815 -1.965 6.398) 11.880 9.970 ( -6.372 -0.086 -11.340) 13.008 10.755 ( 8.864 0.646 1.535) 9.019 10.783 ( 7.809 0.774 -0.588) 7.869 11.112 ( 0.917 0.998 12.731) 12.803 11.355 ( 2.376 0.905 -9.587) 9.918 11.946 ( 22.763 -0.520 2.409) 22.896 12.010 ( 23.425 -0.519 -3.698) 23.720 12.205 ( 22.933 0.016 3.548) 23.206 12.266 ( 23.435 -0.151 -2.301) 23.548 12.684 ( -0.264 -0.168 2.333) 2.354 12.733 ( -0.304 -2.042 -2.092) 2.939 13.299 ( -9.788 -0.944 3.863) 10.565 13.321 ( -1.060 -0.822 1.656) 2.131 13.354 ( -1.934 -1.813 -1.266) 2.937 13.432 ( -11.114 -1.869 -7.365) 13.463 13.762 ( -9.957 -0.543 7.342) 12.383 13.883 ( -9.315 -0.249 -4.462) 10.331 14.401 ( 1.762 2.047 0.551) 2.756 14.413 ( 1.673 1.909 -0.546) 2.596 14.718 ( 0.243 -0.225 0.218) 0.396 14.723 ( 0.251 -0.224 -0.214) 0.399 15.108 ( -1.984 -0.459 0.483) 2.093 15.119 ( -2.406 -0.499 -0.472) 2.502 15.721 ( 8.050 1.613 0.549) 8.228 15.733 ( 7.454 1.526 -0.535) 7.627 16.122 ( 4.270 -3.062 1.884) 5.582 16.163 ( 4.582 -3.664 -1.827) 6.145 17.370 ( 2.867 5.357 3.441) 6.983 17.442 ( 3.493 3.755 -3.246) 6.069 17.570 ( 2.210 -0.233 5.696) 6.114 17.694 ( 1.850 0.820 -5.546) 5.904 18.933 ( -1.047 -0.973 7.233) 7.373 19.077 ( -1.891 1.853 -4.363) 5.104 19.139 ( -2.663 2.915 0.969) 4.065 19.194 ( 1.733 0.007 -5.510) 5.776 20.374 ( -6.901 0.915 0.109) 6.962 20.377 ( -6.735 0.956 -0.090) 6.803 21.040 ( 12.642 1.098 0.445) 12.697 21.052 ( 11.657 0.619 -0.775) 11.699 21.100 ( 9.271 0.480 0.919) 9.329 21.120 ( 6.031 0.512 -0.981) 6.132 21.309 ( 2.274 0.644 5.239) 5.747 21.386 ( 6.211 -0.048 -2.159) 6.575 21.579 ( 3.721 -0.982 3.983) 5.539 21.685 ( -0.868 -0.395 -5.283) 5.368 22.432 ( 2.759 4.080 1.519) 5.154 22.464 ( 3.032 3.478 -1.409) 4.825 23.620 ( -7.633 11.452 2.605) 14.007 23.662 ( -10.646 3.934 -0.948) 11.390 23.847 ( -6.609 -4.634 0.056) 8.072 23.886 ( -6.557 -4.256 -4.104) 8.829 24.199 ( 0.467 -4.228 6.253) 7.563 24.307 ( -2.425 -4.780 -4.028) 6.705 26.334 ( 1.057 -1.046 1.441) 2.070 26.365 ( 1.949 -1.229 -1.321) 2.656 ======================= Grid point 115 (47/50) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -11.080 4.630 1.366) 12.086 2.391 ( -7.007 4.012 -1.747) 8.261 2.488 ( -6.224 25.063 -0.982) 25.843 2.538 ( -4.659 23.704 -5.711) 24.823 2.673 ( -25.012 11.404 1.445) 27.527 2.743 ( -29.658 13.018 -5.273) 32.816 2.936 ( 0.176 7.971 5.020) 9.422 3.033 ( -1.159 9.742 -1.470) 9.920 3.131 ( -25.144 -1.683 6.364) 25.991 3.206 ( -0.351 8.610 4.370) 9.662 3.277 ( -21.099 -0.645 -5.157) 21.729 3.337 ( -1.594 2.734 -5.423) 6.279 3.394 ( -0.569 3.124 4.179) 5.249 3.429 ( 0.730 8.165 0.569) 8.217 3.748 ( 0.933 4.106 15.085) 15.661 3.874 ( -6.739 0.039 14.981) 16.427 4.114 ( -1.513 4.272 -13.830) 14.553 4.276 ( -3.623 -2.440 -11.128) 11.955 4.339 ( 6.813 3.367 1.387) 7.725 4.420 ( 6.114 -0.431 -11.431) 12.971 4.668 ( 2.640 9.279 5.269) 10.992 4.793 ( 3.764 7.884 -5.785) 10.478 4.968 ( -3.515 4.283 3.718) 6.672 4.983 ( -4.869 7.483 1.919) 9.131 5.002 ( -5.325 6.323 -0.736) 8.300 5.104 ( -0.070 -4.543 -6.417) 7.862 5.219 ( -6.527 -11.393 2.345) 13.338 5.268 ( -6.894 -7.904 -2.855) 10.869 5.627 ( 4.126 3.662 4.141) 6.898 5.665 ( 3.135 7.684 1.901) 8.513 5.718 ( -0.427 8.235 7.189) 10.940 5.858 ( 4.877 10.721 -2.630) 12.069 6.069 ( -0.644 3.688 3.835) 5.359 6.130 ( 0.098 3.281 1.350) 3.550 6.230 ( -3.890 5.276 -2.660) 7.075 6.287 ( -2.258 8.892 -6.996) 11.537 6.477 ( 0.866 -5.231 1.973) 5.657 6.499 ( 2.647 -4.017 0.888) 4.891 6.649 ( 6.589 1.703 2.028) 7.101 6.732 ( 0.835 -1.382 8.045) 8.205 6.755 ( 1.732 -5.440 -5.953) 8.248 6.970 ( -1.676 -2.441 -9.149) 9.616 7.207 ( -2.301 -9.761 3.952) 10.779 7.296 ( -2.519 -8.822 -3.458) 9.804 7.319 ( -0.498 -1.719 7.365) 7.579 7.458 ( -0.328 -1.548 -4.477) 4.748 7.592 ( -5.578 -4.933 7.264) 10.403 7.719 ( -5.885 -2.299 -4.721) 7.887 7.829 ( 1.115 0.833 3.273) 3.556 7.900 ( 4.299 2.427 -3.677) 6.156 8.122 ( 3.738 -1.919 8.229) 9.239 8.255 ( 1.002 -2.175 -3.254) 4.040 8.322 ( -4.685 0.730 1.065) 4.860 8.405 ( -2.485 3.496 -7.969) 9.049 8.880 ( 1.884 4.358 7.465) 8.847 9.021 ( 0.451 4.966 -6.300) 8.034 9.349 ( 3.198 -6.121 5.419) 8.779 9.448 ( 2.628 -7.269 -3.577) 8.517 9.680 ( -6.643 -3.736 6.962) 10.323 9.880 ( -3.958 0.602 -11.729) 12.393 10.853 ( 4.540 1.755 0.977) 4.965 10.872 ( 4.446 1.695 -0.491) 4.784 11.103 ( 0.208 1.909 13.713) 13.847 11.370 ( 1.300 1.646 -10.880) 11.081 12.339 ( 21.850 -0.967 2.755) 22.044 12.409 ( 21.671 -0.773 -3.985) 22.048 12.569 ( 19.171 0.347 3.878) 19.563 12.637 ( 19.200 0.312 -2.609) 19.379 12.687 ( 0.488 -0.935 3.273) 3.439 12.758 ( -0.585 -2.991 -3.243) 4.451 13.104 ( -14.336 -1.591 4.065) 14.986 13.204 ( -14.986 -0.928 -4.980) 15.819 13.304 ( -2.842 -0.615 1.860) 3.452 13.361 ( -4.914 -3.137 -3.321) 6.710 13.608 ( -8.329 -1.375 7.778) 11.478 13.744 ( -6.937 -1.422 -5.244) 8.811 14.379 ( 0.427 4.219 0.747) 4.306 14.395 ( 0.464 3.781 -0.678) 3.869 14.731 ( 0.270 -1.507 0.256) 1.552 14.737 ( 0.323 -1.557 -0.252) 1.610 15.098 ( -0.650 -1.130 0.214) 1.321 15.103 ( -0.951 -1.148 -0.211) 1.505 15.834 ( 6.996 1.359 0.218) 7.130 15.839 ( 6.516 1.201 -0.216) 6.629 16.210 ( 1.395 -2.894 2.711) 4.204 16.269 ( 1.717 -4.520 -2.611) 5.495 17.325 ( 1.551 7.638 4.849) 9.179 17.426 ( 1.971 6.361 -4.478) 8.025 17.571 ( 0.221 3.399 4.728) 5.827 17.678 ( -0.252 3.797 -5.102) 6.364 18.918 ( -1.808 -0.720 6.542) 6.826 18.998 ( -1.708 4.620 -1.633) 5.189 19.066 ( -1.077 3.341 3.930) 5.270 19.236 ( 1.178 -2.126 -10.905) 11.173 20.262 ( -4.105 1.560 0.371) 4.407 20.268 ( -3.917 1.450 -0.199) 4.181 21.198 ( 6.950 1.473 2.880) 7.666 21.217 ( 9.846 1.595 -0.089) 9.975 21.237 ( 8.302 0.754 0.522) 8.352 21.250 ( 8.225 1.069 -0.353) 8.302 21.323 ( 0.775 0.888 5.500) 5.624 21.456 ( 1.897 0.129 -5.448) 5.770 21.639 ( 1.269 -0.627 1.017) 1.743 21.671 ( -1.083 -0.003 -2.015) 2.288 22.356 ( -0.988 10.643 2.229) 10.919 22.405 ( -0.449 9.520 -2.285) 9.800 23.334 ( -7.426 12.084 5.316) 15.147 23.457 ( -7.118 3.837 -5.792) 9.947 23.781 ( -5.736 -3.889 1.831) 7.168 23.826 ( -6.284 -6.499 -2.385) 9.350 24.306 ( 2.458 -6.552 3.927) 8.024 24.381 ( 1.180 -6.587 -3.011) 7.338 26.376 ( 1.106 -2.337 2.148) 3.362 26.421 ( 1.577 -2.789 -1.986) 3.770 ======================= Grid point 116 (48/50) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -0.000 17.999 6.106) 19.006 2.042 ( -0.000 37.217 1.697) 37.256 2.105 ( -0.000 15.889 -9.349) 18.435 2.188 ( -0.000 34.056 -12.092) 36.139 2.388 ( -0.000 3.347 3.375) 4.753 2.441 ( -0.000 2.249 -1.931) 2.964 2.853 ( -0.000 7.202 10.063) 12.375 2.923 ( 0.000 -0.898 6.024) 6.091 2.979 ( -0.000 3.998 2.989) 4.992 3.041 ( -0.000 2.375 -5.169) 5.688 3.120 ( -0.000 5.496 -4.811) 7.305 3.193 ( -0.000 17.054 -6.845) 18.377 3.398 ( 0.000 -1.088 1.470) 1.829 3.408 ( 0.000 -1.661 0.728) 1.814 3.624 ( -0.000 11.847 14.687) 18.870 3.843 ( -0.000 2.797 20.579) 20.768 3.993 ( -0.000 9.893 -20.313) 22.594 4.090 ( -0.000 24.846 -2.127) 24.937 4.374 ( -0.000 2.962 1.611) 3.372 4.487 ( -0.000 5.791 -3.783) 6.917 4.637 ( -0.000 3.376 -1.943) 3.895 4.730 ( -0.000 0.502 -13.629) 13.638 4.777 ( -0.000 10.670 1.216) 10.740 4.801 ( -0.000 10.274 -0.965) 10.319 4.924 ( -0.000 6.140 10.227) 11.929 5.095 ( -0.000 2.794 -7.450) 7.957 5.322 ( 0.000 -6.952 -0.926) 7.013 5.329 ( 0.000 -7.905 -1.683) 8.082 5.512 ( -0.000 12.353 14.334) 18.923 5.615 ( -0.000 1.617 4.514) 4.795 5.696 ( 0.000 -2.442 -4.226) 4.881 5.761 ( -0.000 12.699 -9.014) 15.573 6.004 ( -0.000 6.561 6.499) 9.235 6.056 ( 0.000 -2.752 9.666) 10.050 6.180 ( -0.000 5.050 -10.544) 11.691 6.222 ( 0.000 -2.826 -7.216) 7.749 6.556 ( 0.000 -3.349 2.739) 4.326 6.599 ( 0.000 -4.909 -0.419) 4.927 6.679 ( -0.000 1.095 4.769) 4.893 6.715 ( 0.000 -3.344 14.930) 15.300 6.831 ( -0.000 0.189 -9.612) 9.614 6.979 ( 0.000 -3.616 -9.659) 10.313 7.310 ( -0.000 0.044 9.677) 9.677 7.313 ( 0.000 -7.562 2.750) 8.047 7.375 ( 0.000 -8.081 -3.143) 8.670 7.467 ( 0.000 -0.363 -5.846) 5.857 7.643 ( 0.000 -6.102 3.238) 6.908 7.707 ( 0.000 -2.986 -2.655) 3.996 7.817 ( -0.000 2.226 2.439) 3.302 7.867 ( -0.000 7.081 -2.314) 7.449 8.163 ( 0.000 -0.008 7.548) 7.548 8.292 ( 0.000 -4.020 0.937) 4.128 8.319 ( 0.000 -5.329 -1.427) 5.516 8.331 ( -0.000 5.699 -7.999) 9.822 8.848 ( -0.000 2.937 5.827) 6.525 8.974 ( -0.000 2.868 -6.114) 6.754 9.475 ( 0.000 -7.826 5.912) 9.808 9.585 ( 0.000 -8.624 -4.331) 9.650 9.653 ( 0.000 -3.065 6.405) 7.101 9.824 ( -0.000 2.507 -9.405) 9.733 10.864 ( -0.000 2.541 0.969) 2.719 10.885 ( -0.000 2.314 -0.935) 2.496 11.077 ( -0.000 2.244 13.711) 13.894 11.357 ( -0.000 2.098 -12.137) 12.317 12.625 ( 0.000 -0.442 1.642) 1.701 12.636 ( 0.000 -0.714 5.969) 6.012 12.666 ( 0.000 -0.587 -2.183) 2.261 12.759 ( 0.000 -2.292 -5.105) 5.596 12.828 ( 0.000 -0.042 1.637) 1.638 12.858 ( 0.000 -0.107 -1.087) 1.092 12.928 ( 0.000 -1.209 2.179) 2.492 12.997 ( 0.000 -0.786 -3.503) 3.590 13.259 ( -0.000 0.012 2.248) 2.248 13.319 ( 0.000 -1.446 -2.945) 3.280 13.561 ( 0.000 -2.640 8.329) 8.737 13.719 ( 0.000 -3.365 -6.523) 7.340 14.322 ( -0.000 4.977 1.138) 5.105 14.345 ( -0.000 4.483 -0.897) 4.572 14.765 ( 0.000 -3.261 0.357) 3.280 14.772 ( 0.000 -3.446 -0.334) 3.462 15.109 ( 0.000 -1.395 0.087) 1.397 15.110 ( 0.000 -1.385 -0.086) 1.388 15.890 ( -0.000 0.785 0.020) 0.785 15.891 ( -0.000 0.747 -0.020) 0.747 16.235 ( -0.000 0.373 4.497) 4.513 16.332 ( 0.000 -3.579 -4.270) 5.572 17.241 ( -0.000 7.381 5.154) 9.002 17.351 ( -0.000 7.957 -4.994) 9.394 17.502 ( -0.000 7.387 4.318) 8.557 17.604 ( -0.000 7.133 -5.222) 8.840 18.890 ( -0.000 3.091 2.179) 3.782 18.917 ( -0.000 5.957 -0.963) 6.035 19.039 ( 0.000 -1.211 9.469) 9.546 19.285 ( 0.000 -4.147 -12.655) 13.318 20.206 ( -0.000 2.008 0.753) 2.145 20.217 ( -0.000 1.543 -0.355) 1.584 21.253 ( -0.000 1.065 9.896) 9.953 21.296 ( -0.000 1.188 0.158) 1.198 21.300 ( -0.000 1.198 -0.252) 1.224 21.320 ( -0.000 0.923 0.313) 0.974 21.325 ( -0.000 0.912 -0.220) 0.938 21.446 ( -0.000 1.837 -7.939) 8.149 21.629 ( -0.000 1.687 1.757) 2.435 21.663 ( 0.000 -0.015 -1.559) 1.559 22.169 ( -0.000 15.155 3.219) 15.493 22.244 ( -0.000 13.484 -3.604) 13.957 23.108 ( -0.000 13.192 9.596) 16.313 23.342 ( -0.000 4.935 -12.338) 13.288 23.792 ( 0.000 -6.070 4.879) 7.788 23.866 ( 0.000 -8.483 -2.506) 8.845 24.416 ( 0.000 -7.365 2.982) 7.946 24.475 ( 0.000 -6.340 -2.445) 6.795 26.422 ( 0.000 -3.411 2.776) 4.398 26.480 ( 0.000 -4.341 -2.491) 5.005 ======================= Grid point 123 (49/50) ======================= q-point: ( 0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -6.058 0.000 0.353) 6.069 2.409 ( -7.580 0.000 -0.287) 7.585 2.817 ( -20.785 0.000 0.845) 20.802 2.830 ( -8.689 0.000 0.538) 8.706 2.890 ( -9.386 0.000 3.638) 10.066 2.908 ( -15.867 0.000 0.907) 15.893 3.080 ( -29.862 0.000 6.022) 30.463 3.122 ( -4.397 0.000 2.954) 5.297 3.174 ( -1.703 0.000 -2.980) 3.433 3.243 ( -18.693 0.000 -8.203) 20.413 3.348 ( -3.719 0.000 2.447) 4.451 3.377 ( -0.370 0.000 1.982) 2.016 3.445 ( 1.506 -0.000 0.719) 1.669 3.557 ( -0.597 0.000 -9.574) 9.593 3.852 ( 0.024 -0.000 8.579) 8.579 3.910 ( 0.756 -0.000 0.777) 1.084 4.025 ( -5.488 0.000 3.662) 6.598 4.227 ( -3.978 0.000 -11.863) 12.512 4.407 ( 5.619 -0.000 0.208) 5.623 4.442 ( 6.674 -0.000 -3.710) 7.636 4.699 ( 0.971 -0.000 4.285) 4.394 4.792 ( 0.639 -0.000 -5.898) 5.933 4.987 ( 1.237 -0.000 1.733) 2.129 5.026 ( 2.141 -0.000 -1.678) 2.720 5.102 ( -7.740 0.000 0.028) 7.740 5.105 ( -6.134 0.000 0.171) 6.136 5.121 ( -9.348 0.000 -0.686) 9.374 5.139 ( -7.034 0.000 -2.334) 7.411 5.609 ( 7.297 -0.000 7.390) 10.386 5.789 ( 6.309 -0.000 -10.215) 12.006 5.925 ( 0.523 -0.000 15.311) 15.320 6.044 ( 4.112 -0.000 -1.018) 4.236 6.100 ( 2.747 -0.000 5.129) 5.819 6.286 ( 5.837 -0.000 6.248) 8.551 6.288 ( 4.381 -0.000 -2.225) 4.914 6.399 ( 2.442 -0.000 -0.061) 2.443 6.426 ( -1.649 0.000 -2.492) 2.988 6.492 ( -2.115 0.000 -19.596) 19.710 6.633 ( 4.023 -0.000 9.144) 9.990 6.745 ( 3.312 -0.000 -3.249) 4.640 6.771 ( -2.257 0.000 6.270) 6.664 6.895 ( -1.879 0.000 0.304) 1.903 6.994 ( -4.201 0.000 -4.244) 5.972 7.053 ( -4.727 0.000 -6.737) 8.230 7.342 ( 0.306 -0.000 6.884) 6.891 7.421 ( -0.131 0.000 -1.809) 1.814 7.519 ( -10.372 0.000 9.273) 13.913 7.681 ( -7.455 0.000 -6.028) 9.587 7.848 ( 2.071 -0.000 5.228) 5.623 7.916 ( 7.207 -0.000 -1.611) 7.385 8.089 ( 6.128 -0.000 5.879) 8.492 8.235 ( 1.991 -0.000 -5.396) 5.752 8.351 ( -7.427 0.000 1.903) 7.667 8.448 ( -4.005 0.000 -9.143) 9.981 8.959 ( 2.996 -0.000 10.131) 10.564 9.128 ( 2.299 -0.000 -6.261) 6.670 9.272 ( 0.247 -0.000 0.790) 0.828 9.285 ( 0.378 -0.000 -0.444) 0.583 9.634 ( -6.054 0.000 8.977) 10.828 9.887 ( -3.417 0.000 -14.819) 15.208 10.876 ( 4.780 -0.000 0.917) 4.867 10.894 ( 4.544 -0.000 -0.510) 4.572 11.130 ( 0.381 -0.000 14.465) 14.471 11.392 ( 1.321 -0.000 -9.935) 10.022 12.325 ( 21.785 -0.000 2.680) 21.949 12.397 ( 21.778 -0.000 -4.295) 22.198 12.573 ( 19.839 -0.000 3.832) 20.205 12.638 ( 18.435 -0.000 -2.424) 18.594 12.678 ( 0.496 -0.000 1.615) 1.689 12.713 ( -0.577 0.000 -1.484) 1.592 13.079 ( -14.072 0.000 4.322) 14.720 13.188 ( -15.582 0.000 -5.705) 16.594 13.301 ( -1.901 0.000 -0.685) 2.021 13.308 ( -3.392 0.000 -0.738) 3.471 13.593 ( -8.712 0.000 7.717) 11.639 13.727 ( -7.965 0.000 -5.099) 9.457 14.440 ( 1.031 -0.000 0.436) 1.119 14.450 ( 0.976 -0.000 -0.440) 1.071 14.714 ( -0.351 0.000 0.246) 0.429 14.719 ( -0.299 0.000 -0.248) 0.388 15.084 ( -0.604 0.000 0.205) 0.638 15.088 ( -0.867 0.000 -0.200) 0.890 15.852 ( 5.855 -0.000 0.134) 5.857 15.855 ( 5.481 -0.000 -0.130) 5.483 16.160 ( 2.333 -0.000 1.910) 3.015 16.202 ( 2.530 -0.000 -1.898) 3.163 17.445 ( 1.659 -0.000 2.955) 3.389 17.510 ( 1.761 -0.000 -2.632) 3.167 17.597 ( 1.164 -0.000 5.512) 5.634 17.720 ( 0.513 -0.000 -5.314) 5.338 18.903 ( -1.526 0.000 8.712) 8.845 19.058 ( -1.544 0.000 -3.642) 3.956 19.124 ( -1.379 0.000 1.302) 1.896 19.214 ( 0.735 -0.000 -8.741) 8.771 20.281 ( -4.332 0.000 0.230) 4.338 20.286 ( -4.214 0.000 -0.247) 4.221 21.219 ( 5.459 -0.000 4.227) 6.904 21.239 ( 9.158 -0.000 -0.242) 9.161 21.240 ( 8.801 -0.000 0.739) 8.832 21.260 ( 8.085 -0.000 -0.183) 8.087 21.336 ( 0.765 -0.000 4.029) 4.101 21.456 ( 2.073 -0.000 -5.128) 5.531 21.629 ( 2.356 -0.000 1.313) 2.698 21.672 ( -0.510 0.000 -2.776) 2.823 22.502 ( 1.705 -0.000 1.451) 2.238 22.532 ( 1.816 -0.000 -1.316) 2.243 23.500 ( -8.975 0.000 1.851) 9.164 23.544 ( -9.376 0.000 -2.164) 9.623 23.696 ( -4.691 0.000 2.480) 5.306 23.748 ( -6.699 0.000 -2.212) 7.055 24.226 ( 3.475 -0.000 1.704) 3.870 24.265 ( 0.993 -0.000 -1.805) 2.060 26.345 ( 0.913 -0.000 1.899) 2.107 26.386 ( 1.354 -0.000 -1.775) 2.232 ======================= Grid point 125 (50/50) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -0.000 6.142 2.130) 6.501 2.302 ( -0.000 1.884 -1.820) 2.619 2.523 ( -0.000 4.546 1.032) 4.661 2.564 ( -0.000 7.386 -2.870) 7.924 2.796 ( -0.000 13.764 0.854) 13.791 2.831 ( -0.000 17.708 -0.738) 17.723 2.848 ( 0.000 -3.782 7.654) 8.537 3.021 ( 0.000 -2.530 -8.843) 9.197 3.042 ( -0.000 8.069 4.374) 9.179 3.161 ( -0.000 6.169 -7.643) 9.823 3.276 ( -0.000 4.416 3.992) 5.953 3.344 ( -0.000 1.408 -1.524) 2.075 3.488 ( 0.000 -1.470 4.770) 4.992 3.531 ( -0.000 9.560 1.675) 9.706 3.823 ( -0.000 3.988 15.250) 15.763 3.840 ( -0.000 7.590 8.006) 11.032 4.070 ( 0.000 -14.135 -11.055) 17.945 4.156 ( -0.000 3.178 -15.907) 16.222 4.458 ( -0.000 3.306 0.994) 3.453 4.502 ( -0.000 1.404 -4.538) 4.750 4.773 ( 0.000 -2.259 2.978) 3.737 4.845 ( 0.000 -6.441 -4.938) 8.116 4.964 ( -0.000 4.056 1.415) 4.296 4.989 ( -0.000 3.625 -0.946) 3.746 5.035 ( -0.000 3.070 1.737) 3.527 5.043 ( 0.000 -2.836 2.119) 3.540 5.082 ( 0.000 -6.536 -3.220) 7.286 5.089 ( 0.000 -1.281 -3.790) 4.001 5.672 ( 0.000 -0.125 6.140) 6.141 5.812 ( -0.000 5.634 -7.644) 9.496 5.845 ( -0.000 11.140 17.821) 21.016 6.031 ( -0.000 7.404 -2.308) 7.756 6.109 ( -0.000 1.869 4.567) 4.935 6.255 ( -0.000 14.614 4.360) 15.250 6.328 ( -0.000 12.197 -3.209) 12.612 6.343 ( -0.000 3.914 -9.195) 9.993 6.385 ( 0.000 -5.976 0.094) 5.977 6.483 ( 0.000 -2.906 -9.262) 9.707 6.683 ( -0.000 0.381 14.734) 14.739 6.743 ( -0.000 1.114 1.043) 1.526 6.795 ( 0.000 -1.953 -4.181) 4.614 6.937 ( 0.000 -1.614 -8.383) 8.537 7.007 ( 0.000 -13.676 2.241) 13.858 7.102 ( 0.000 -12.785 -6.604) 14.390 7.336 ( -0.000 1.773 7.577) 7.781 7.432 ( 0.000 -1.813 -2.787) 3.324 7.461 ( 0.000 -5.288 9.671) 11.022 7.622 ( 0.000 -2.642 -5.770) 6.346 7.861 ( -0.000 1.058 7.335) 7.411 7.977 ( -0.000 1.592 -3.738) 4.063 8.188 ( -0.000 1.659 7.192) 7.381 8.239 ( 0.000 -1.310 0.442) 1.383 8.251 ( 0.000 -0.280 -0.660) 0.717 8.406 ( -0.000 0.694 -13.113) 13.131 8.955 ( -0.000 4.327 8.588) 9.617 9.098 ( -0.000 6.121 -5.602) 8.297 9.298 ( 0.000 -5.041 3.659) 6.229 9.366 ( 0.000 -8.406 -2.707) 8.831 9.590 ( 0.000 -1.499 9.634) 9.750 9.855 ( -0.000 0.452 -15.164) 15.171 10.910 ( -0.000 1.022 0.778) 1.284 10.928 ( -0.000 0.944 -0.777) 1.223 11.125 ( -0.000 1.215 15.073) 15.121 11.397 ( -0.000 0.930 -10.431) 10.473 12.614 ( 0.000 -0.297 1.642) 1.669 12.622 ( 0.000 -0.211 3.173) 3.180 12.655 ( 0.000 -0.229 -2.187) 2.199 12.689 ( 0.000 -2.315 -2.845) 3.668 12.827 ( 0.000 -0.052 1.721) 1.722 12.858 ( -0.000 0.057 -1.168) 1.170 12.893 ( 0.000 -1.023 2.686) 2.874 12.964 ( 0.000 -1.110 -3.800) 3.959 13.257 ( 0.000 -0.260 0.190) 0.322 13.279 ( 0.000 -1.147 -2.104) 2.396 13.517 ( 0.000 -0.850 8.113) 8.158 13.661 ( 0.000 -1.181 -5.569) 5.693 14.430 ( -0.000 2.858 0.512) 2.903 14.441 ( -0.000 2.565 -0.497) 2.613 14.716 ( 0.000 -0.938 0.265) 0.975 14.722 ( 0.000 -0.933 -0.267) 0.970 15.083 ( 0.000 -0.559 0.096) 0.568 15.085 ( 0.000 -0.554 -0.096) 0.562 15.903 ( -0.000 0.247 0.012) 0.247 15.904 ( -0.000 0.264 -0.012) 0.264 16.193 ( 0.000 -1.904 2.163) 2.882 16.240 ( 0.000 -2.558 -2.144) 3.338 17.422 ( -0.000 5.428 3.968) 6.724 17.504 ( -0.000 3.381 -3.339) 4.752 17.602 ( -0.000 1.056 4.748) 4.864 17.712 ( -0.000 1.838 -4.992) 5.320 18.892 ( 0.000 -0.634 8.823) 8.846 19.029 ( -0.000 2.498 -2.773) 3.733 19.095 ( -0.000 2.530 2.123) 3.303 19.225 ( 0.000 -0.998 -10.663) 10.710 20.239 ( -0.000 0.680 0.309) 0.747 20.246 ( -0.000 0.638 -0.285) 0.699 21.266 ( -0.000 0.180 10.365) 10.367 21.318 ( -0.000 0.504 0.154) 0.527 21.322 ( -0.000 0.496 -0.269) 0.564 21.336 ( -0.000 0.355 0.307) 0.469 21.341 ( -0.000 0.330 -0.192) 0.382 21.465 ( -0.000 0.113 -7.733) 7.734 21.648 ( -0.000 0.051 0.609) 0.611 21.665 ( -0.000 0.277 -1.012) 1.050 22.469 ( -0.000 7.305 1.815) 7.527 22.508 ( -0.000 6.215 -1.743) 6.455 23.398 ( -0.000 8.785 1.241) 8.872 23.415 ( -0.000 0.831 -0.349) 0.901 23.680 ( 0.000 -3.764 0.497) 3.797 23.705 ( 0.000 -3.132 -1.676) 3.552 24.270 ( 0.000 -2.897 2.250) 3.668 24.318 ( 0.000 -5.306 -2.093) 5.704 26.362 ( 0.000 -1.307 2.130) 2.499 26.407 ( 0.000 -1.513 -1.991) 2.500 =================== 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 3/27702 10.0 671.963 875.852 434.098 0.000 0.000 -0.000 3/27702 20.0 243.642 153.547 71.826 0.000 0.000 -0.000 3/27702 30.0 125.066 65.195 25.809 0.000 0.000 -0.000 3/27702 40.0 84.132 40.187 14.902 0.000 0.000 -0.000 3/27702 50.0 63.541 28.722 10.535 0.000 0.000 -0.000 3/27702 60.0 50.854 22.264 8.207 0.000 0.000 -0.000 3/27702 70.0 42.182 18.161 6.755 0.000 0.000 -0.000 3/27702 80.0 35.888 15.330 5.756 0.000 0.000 -0.000 3/27702 90.0 31.131 13.259 5.023 0.000 0.000 -0.000 3/27702 100.0 27.426 11.676 4.461 0.000 0.000 -0.000 3/27702 110.0 24.471 10.426 4.014 0.000 0.000 -0.000 3/27702 120.0 22.066 9.414 3.650 0.000 0.000 -0.000 3/27702 130.0 20.075 8.578 3.348 0.000 0.000 -0.000 3/27702 140.0 18.402 7.877 3.092 0.000 0.000 -0.000 3/27702 150.0 16.980 7.279 2.874 0.000 0.000 -0.000 3/27702 160.0 15.756 6.766 2.685 0.000 0.000 -0.000 3/27702 170.0 14.694 6.319 2.520 0.000 0.000 -0.000 3/27702 180.0 13.764 5.928 2.375 0.000 0.000 -0.000 3/27702 190.0 12.943 5.582 2.246 0.000 0.000 -0.000 3/27702 200.0 12.214 5.275 2.131 0.000 0.000 -0.000 3/27702 210.0 11.562 4.999 2.028 0.000 0.000 -0.000 3/27702 220.0 10.976 4.752 1.935 0.000 0.000 -0.000 3/27702 230.0 10.447 4.528 1.851 0.000 0.000 -0.000 3/27702 240.0 9.966 4.324 1.773 0.000 0.000 -0.000 3/27702 250.0 9.528 4.139 1.703 0.000 0.000 -0.000 3/27702 260.0 9.127 3.969 1.638 0.000 0.000 -0.000 3/27702 270.0 8.759 3.812 1.578 0.000 0.000 -0.000 3/27702 280.0 8.419 3.668 1.523 0.000 0.000 -0.000 3/27702 290.0 8.106 3.534 1.471 0.000 0.000 -0.000 3/27702 300.0 7.815 3.410 1.423 0.000 0.000 -0.000 3/27702 310.0 7.544 3.295 1.378 0.000 0.000 -0.000 3/27702 320.0 7.292 3.187 1.336 0.000 0.000 -0.000 3/27702 330.0 7.057 3.086 1.297 0.000 0.000 -0.000 3/27702 340.0 6.836 2.992 1.260 0.000 0.000 -0.000 3/27702 350.0 6.629 2.903 1.225 0.000 0.000 -0.000 3/27702 360.0 6.434 2.819 1.192 0.000 0.000 -0.000 3/27702 370.0 6.251 2.741 1.161 0.000 0.000 -0.000 3/27702 380.0 6.078 2.666 1.131 0.000 0.000 -0.000 3/27702 390.0 5.914 2.596 1.103 0.000 0.000 -0.000 3/27702 400.0 5.759 2.529 1.076 0.000 0.000 -0.000 3/27702 410.0 5.612 2.466 1.051 0.000 0.000 -0.000 3/27702 420.0 5.473 2.406 1.027 0.000 0.000 -0.000 3/27702 430.0 5.340 2.348 1.004 0.000 0.000 -0.000 3/27702 440.0 5.214 2.294 0.982 0.000 0.000 -0.000 3/27702 450.0 5.094 2.242 0.961 0.000 0.000 -0.000 3/27702 460.0 4.979 2.192 0.940 0.000 0.000 -0.000 3/27702 470.0 4.869 2.144 0.921 0.000 0.000 -0.000 3/27702 480.0 4.764 2.099 0.902 0.000 0.000 -0.000 3/27702 490.0 4.664 2.055 0.885 0.000 0.000 -0.000 3/27702 500.0 4.568 2.014 0.867 0.000 0.000 -0.000 3/27702 510.0 4.476 1.974 0.851 0.000 0.000 -0.000 3/27702 520.0 4.387 1.935 0.835 0.000 0.000 -0.000 3/27702 530.0 4.302 1.898 0.820 0.000 0.000 -0.000 3/27702 540.0 4.220 1.862 0.805 0.000 0.000 -0.000 3/27702 550.0 4.141 1.828 0.791 0.000 0.000 -0.000 3/27702 560.0 4.066 1.795 0.777 0.000 0.000 -0.000 3/27702 570.0 3.993 1.763 0.764 0.000 0.000 -0.000 3/27702 580.0 3.922 1.732 0.751 0.000 0.000 -0.000 3/27702 590.0 3.854 1.703 0.739 0.000 0.000 -0.000 3/27702 600.0 3.788 1.674 0.727 0.000 0.000 -0.000 3/27702 610.0 3.725 1.646 0.715 0.000 0.000 -0.000 3/27702 620.0 3.664 1.620 0.704 0.000 0.000 -0.000 3/27702 630.0 3.604 1.594 0.693 0.000 0.000 -0.000 3/27702 640.0 3.547 1.569 0.682 0.000 0.000 -0.000 3/27702 650.0 3.491 1.544 0.672 0.000 0.000 -0.000 3/27702 660.0 3.438 1.521 0.662 0.000 0.000 -0.000 3/27702 670.0 3.385 1.498 0.653 0.000 0.000 -0.000 3/27702 680.0 3.335 1.476 0.643 0.000 0.000 -0.000 3/27702 690.0 3.286 1.454 0.634 0.000 0.000 -0.000 3/27702 700.0 3.238 1.433 0.625 0.000 0.000 -0.000 3/27702 710.0 3.192 1.413 0.617 0.000 0.000 -0.000 3/27702 720.0 3.147 1.393 0.608 0.000 0.000 -0.000 3/27702 730.0 3.103 1.374 0.600 0.000 0.000 -0.000 3/27702 740.0 3.060 1.355 0.592 0.000 0.000 -0.000 3/27702 750.0 3.019 1.337 0.584 0.000 0.000 -0.000 3/27702 760.0 2.979 1.319 0.577 0.000 0.000 -0.000 3/27702 770.0 2.940 1.302 0.570 0.000 0.000 -0.000 3/27702 780.0 2.901 1.285 0.562 0.000 0.000 -0.000 3/27702 790.0 2.864 1.269 0.555 0.000 0.000 -0.000 3/27702 800.0 2.828 1.253 0.549 0.000 0.000 -0.000 3/27702 810.0 2.793 1.237 0.542 0.000 0.000 -0.000 3/27702 820.0 2.758 1.222 0.535 0.000 0.000 -0.000 3/27702 830.0 2.725 1.208 0.529 0.000 0.000 -0.000 3/27702 840.0 2.692 1.193 0.523 0.000 0.000 -0.000 3/27702 850.0 2.660 1.179 0.517 0.000 0.000 -0.000 3/27702 860.0 2.629 1.165 0.511 0.000 0.000 -0.000 3/27702 870.0 2.598 1.152 0.505 0.000 0.000 -0.000 3/27702 880.0 2.568 1.139 0.500 0.000 0.000 -0.000 3/27702 890.0 2.539 1.126 0.494 0.000 0.000 -0.000 3/27702 900.0 2.511 1.113 0.489 0.000 0.000 -0.000 3/27702 910.0 2.483 1.101 0.483 0.000 0.000 -0.000 3/27702 920.0 2.456 1.089 0.478 0.000 0.000 -0.000 3/27702 930.0 2.429 1.077 0.473 0.000 0.000 -0.000 3/27702 940.0 2.403 1.066 0.468 0.000 0.000 -0.000 3/27702 950.0 2.377 1.054 0.463 0.000 0.000 -0.000 3/27702 960.0 2.352 1.043 0.458 0.000 0.000 -0.000 3/27702 970.0 2.328 1.033 0.454 0.000 0.000 -0.000 3/27702 980.0 2.304 1.022 0.449 0.000 0.000 -0.000 3/27702 990.0 2.281 1.012 0.445 0.000 0.000 -0.000 3/27702 1000.0 2.258 1.002 0.440 0.000 0.000 -0.000 3/27702 Thermal conductivity related properties were written into "kappa-m993.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:53:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|