----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:52:04]------------------------- 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: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.620417870000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.732264830000004 0.000000000000000 c 0.000000000000000 0.000000000000000 12.414118230000000 Atomic positions (fractional): *1 Na 0.74488089997227 0.29346194251781 0.75460220505619 22.990 2 Na 0.24488089997227 0.20653805748219 0.24539779494381 22.990 3 Na 0.75511910002773 0.70653805748219 0.25460220505619 22.990 4 Na 0.25511910002773 0.79346194251781 0.74539779494381 22.990 5 Na 0.25511910002773 0.70653805748219 0.24539779494381 22.990 6 Na 0.75511910002773 0.79346194251781 0.75460220505619 22.990 7 Na 0.24488089997227 0.29346194251781 0.74539779494381 22.990 8 Na 0.74488089997227 0.20653805748219 0.25460220505619 22.990 *9 Na 0.00122348618540 0.23450368994807 0.50538416467094 22.990 10 Na 0.50122348618540 0.26549631005193 0.49461583532906 22.990 11 Na 0.49877651381460 0.76549631005193 0.00538416467094 22.990 12 Na 0.99877651381460 0.73450368994807 0.99461583532906 22.990 13 Na 0.99877651381460 0.76549631005193 0.49461583532906 22.990 14 Na 0.49877651381460 0.73450368994807 0.50538416467094 22.990 15 Na 0.50122348618540 0.23450368994807 0.99461583532906 22.990 16 Na 0.00122348618540 0.26549631005193 0.00538416467094 22.990 *17 Se 0.07213532369655 0.43007965751513 0.61485204254671 78.960 *18 Se 0.99625786016928 0.27517785622692 0.25685824052510 78.960 19 Se 0.49625786016928 0.22482214377308 0.74314175947490 78.960 20 Se 0.50374213983072 0.72482214377308 0.75685824052510 78.960 21 Se 0.00374213983072 0.77517785622692 0.24314175947490 78.960 22 Se 0.00374213983072 0.72482214377308 0.74314175947490 78.960 23 Se 0.50374213983072 0.77517785622692 0.25685824052510 78.960 24 Se 0.49625786016928 0.27517785622692 0.24314175947490 78.960 25 Se 0.99625786016928 0.22482214377308 0.75685824052510 78.960 *26 Se 0.75544300410746 0.20902763467526 0.00163682459692 78.960 27 Se 0.25544300410746 0.29097236532474 0.99836317540308 78.960 28 Se 0.74455699589254 0.79097236532474 0.50163682459692 78.960 29 Se 0.24455699589254 0.70902763467526 0.49836317540308 78.960 30 Se 0.24455699589254 0.79097236532474 0.99836317540308 78.960 31 Se 0.74455699589254 0.70902763467526 0.00163682459692 78.960 32 Se 0.25544300410746 0.20902763467526 0.49836317540308 78.960 *33 Se 0.76165683706758 0.06781288925110 0.64368481054389 78.960 34 Se 0.26165683706758 0.43218711074890 0.35631518945611 78.960 35 Se 0.73834316293242 0.93218711074890 0.14368481054389 78.960 36 Se 0.23834316293242 0.56781288925110 0.85631518945611 78.960 37 Se 0.23834316293242 0.93218711074890 0.35631518945611 78.960 38 Se 0.73834316293242 0.56781288925110 0.64368481054389 78.960 39 Se 0.26165683706758 0.06781288925110 0.85631518945611 78.960 40 Se 0.76165683706758 0.43218711074890 0.14368481054389 78.960 *41 Se 0.91100125024070 0.44422057746071 0.88125214683084 78.960 42 Se 0.41100125024070 0.05577942253929 0.11874785316916 78.960 43 Se 0.58899874975930 0.55577942253929 0.38125214683084 78.960 44 Se 0.08899874975930 0.94422057746071 0.61874785316916 78.960 45 Se 0.57213532369654 0.06992034248487 0.38514795745329 78.960 46 Se 0.58899874975930 0.94422057746071 0.88125214683084 78.960 47 Se 0.41100125024070 0.44422057746071 0.61874785316916 78.960 48 Se 0.91100125024070 0.05577942253929 0.38125214683084 78.960 49 Se 0.57213532369654 0.43007965751513 0.88514795745329 78.960 50 Se 0.07213532369655 0.06992034248487 0.11485204254671 78.960 51 Se 0.92786467630346 0.56992034248487 0.38514795745329 78.960 52 Se 0.42786467630345 0.93007965751513 0.61485204254671 78.960 53 Se 0.42786467630345 0.56992034248487 0.11485204254671 78.960 54 Se 0.92786467630346 0.93007965751513 0.88514795745329 78.960 55 Se 0.75544300410746 0.29097236532474 0.50163682459692 78.960 56 Se 0.08899874975930 0.55577942253929 0.11874785316916 78.960 *57 Sn 0.55383640679417 0.05337609134560 0.71667182622831 118.710 *58 Sn 0.76244612819092 0.46931068338053 0.46947951252981 118.710 59 Sn 0.26244612819092 0.03068931661947 0.53052048747019 118.710 60 Sn 0.73755387180908 0.53068931661947 0.96947951252981 118.710 61 Sn 0.23755387180908 0.96931068338053 0.03052048747019 118.710 62 Sn 0.23755387180908 0.53068931661947 0.53052048747019 118.710 63 Sn 0.73755387180908 0.96931068338053 0.46947951252981 118.710 64 Sn 0.26244612819092 0.46931068338053 0.03052048747019 118.710 65 Sn 0.76244612819092 0.03068931661947 0.96947951252981 118.710 66 Sn 0.55383640679417 0.44662390865440 0.21667182622831 118.710 67 Sn 0.05383640679417 0.05337609134560 0.78332817377169 118.710 68 Sn 0.94616359320583 0.55337609134560 0.71667182622831 118.710 69 Sn 0.44616359320583 0.94662390865440 0.28332817377169 118.710 70 Sn 0.44616359320583 0.55337609134560 0.78332817377169 118.710 71 Sn 0.94616359320583 0.94662390865440 0.21667182622831 118.710 72 Sn 0.05383640679417 0.44662390865440 0.28332817377169 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.620417870000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.732264830000004 0.000000000000000 c 0.000000000000000 0.000000000000000 12.414118230000000 Atomic positions (fractional): *1 Na 0.74488089997227 0.29346194251781 0.75460220505619 22.990 > 1 2 Na 0.24488089997227 0.20653805748219 0.24539779494381 22.990 > 2 3 Na 0.75511910002773 0.70653805748219 0.25460220505619 22.990 > 3 4 Na 0.25511910002773 0.79346194251781 0.74539779494381 22.990 > 4 5 Na 0.25511910002773 0.70653805748219 0.24539779494381 22.990 > 5 6 Na 0.75511910002773 0.79346194251781 0.75460220505619 22.990 > 6 7 Na 0.24488089997227 0.29346194251781 0.74539779494381 22.990 > 7 8 Na 0.74488089997227 0.20653805748219 0.25460220505619 22.990 > 8 *9 Na 0.00122348618540 0.23450368994807 0.50538416467094 22.990 > 9 10 Na 0.50122348618540 0.26549631005193 0.49461583532906 22.990 > 10 11 Na 0.49877651381460 0.76549631005193 0.00538416467094 22.990 > 11 12 Na 0.99877651381460 0.73450368994807 0.99461583532906 22.990 > 12 13 Na 0.99877651381460 0.76549631005193 0.49461583532906 22.990 > 13 14 Na 0.49877651381460 0.73450368994807 0.50538416467094 22.990 > 14 15 Na 0.50122348618540 0.23450368994807 0.99461583532906 22.990 > 15 16 Na 0.00122348618540 0.26549631005193 0.00538416467094 22.990 > 16 *17 Se 0.07213532369655 0.43007965751513 0.61485204254671 78.960 > 17 *18 Se 0.99625786016928 0.27517785622692 0.25685824052510 78.960 > 18 19 Se 0.49625786016928 0.22482214377308 0.74314175947490 78.960 > 19 20 Se 0.50374213983072 0.72482214377308 0.75685824052510 78.960 > 20 21 Se 0.00374213983072 0.77517785622692 0.24314175947490 78.960 > 21 22 Se 0.00374213983072 0.72482214377308 0.74314175947490 78.960 > 22 23 Se 0.50374213983072 0.77517785622692 0.25685824052510 78.960 > 23 24 Se 0.49625786016928 0.27517785622692 0.24314175947490 78.960 > 24 25 Se 0.99625786016928 0.22482214377308 0.75685824052510 78.960 > 25 *26 Se 0.75544300410746 0.20902763467526 0.00163682459692 78.960 > 26 27 Se 0.25544300410746 0.29097236532474 0.99836317540308 78.960 > 27 28 Se 0.74455699589254 0.79097236532474 0.50163682459692 78.960 > 28 29 Se 0.24455699589254 0.70902763467526 0.49836317540308 78.960 > 29 30 Se 0.24455699589254 0.79097236532474 0.99836317540308 78.960 > 30 31 Se 0.74455699589254 0.70902763467526 0.00163682459692 78.960 > 31 32 Se 0.25544300410746 0.20902763467526 0.49836317540308 78.960 > 32 *33 Se 0.76165683706758 0.06781288925110 0.64368481054389 78.960 > 33 34 Se 0.26165683706758 0.43218711074890 0.35631518945611 78.960 > 34 35 Se 0.73834316293242 0.93218711074890 0.14368481054389 78.960 > 35 36 Se 0.23834316293242 0.56781288925110 0.85631518945611 78.960 > 36 37 Se 0.23834316293242 0.93218711074890 0.35631518945611 78.960 > 37 38 Se 0.73834316293242 0.56781288925110 0.64368481054389 78.960 > 38 39 Se 0.26165683706758 0.06781288925110 0.85631518945611 78.960 > 39 40 Se 0.76165683706758 0.43218711074890 0.14368481054389 78.960 > 40 *41 Se 0.91100125024070 0.44422057746071 0.88125214683084 78.960 > 41 42 Se 0.41100125024070 0.05577942253929 0.11874785316916 78.960 > 42 43 Se 0.58899874975930 0.55577942253929 0.38125214683084 78.960 > 43 44 Se 0.08899874975930 0.94422057746071 0.61874785316916 78.960 > 44 45 Se 0.57213532369654 0.06992034248487 0.38514795745329 78.960 > 45 46 Se 0.58899874975930 0.94422057746071 0.88125214683084 78.960 > 46 47 Se 0.41100125024070 0.44422057746071 0.61874785316916 78.960 > 47 48 Se 0.91100125024070 0.05577942253929 0.38125214683084 78.960 > 48 49 Se 0.57213532369654 0.43007965751513 0.88514795745329 78.960 > 49 50 Se 0.07213532369655 0.06992034248487 0.11485204254671 78.960 > 50 51 Se 0.92786467630346 0.56992034248487 0.38514795745329 78.960 > 51 52 Se 0.42786467630345 0.93007965751513 0.61485204254671 78.960 > 52 53 Se 0.42786467630345 0.56992034248487 0.11485204254671 78.960 > 53 54 Se 0.92786467630346 0.93007965751513 0.88514795745329 78.960 > 54 55 Se 0.75544300410746 0.29097236532474 0.50163682459692 78.960 > 55 56 Se 0.08899874975930 0.55577942253929 0.11874785316916 78.960 > 56 *57 Sn 0.55383640679417 0.05337609134560 0.71667182622831 118.710 > 57 *58 Sn 0.76244612819092 0.46931068338053 0.46947951252981 118.710 > 58 59 Sn 0.26244612819092 0.03068931661947 0.53052048747019 118.710 > 59 60 Sn 0.73755387180908 0.53068931661947 0.96947951252981 118.710 > 60 61 Sn 0.23755387180908 0.96931068338053 0.03052048747019 118.710 > 61 62 Sn 0.23755387180908 0.53068931661947 0.53052048747019 118.710 > 62 63 Sn 0.73755387180908 0.96931068338053 0.46947951252981 118.710 > 63 64 Sn 0.26244612819092 0.46931068338053 0.03052048747019 118.710 > 64 65 Sn 0.76244612819092 0.03068931661947 0.96947951252981 118.710 > 65 66 Sn 0.55383640679417 0.44662390865440 0.21667182622831 118.710 > 66 67 Sn 0.05383640679417 0.05337609134560 0.78332817377169 118.710 > 67 68 Sn 0.94616359320583 0.55337609134560 0.71667182622831 118.710 > 68 69 Sn 0.44616359320583 0.94662390865440 0.28332817377169 118.710 > 69 70 Sn 0.44616359320583 0.55337609134560 0.78332817377169 118.710 > 70 71 Sn 0.94616359320583 0.94662390865440 0.21667182622831 118.710 > 71 72 Sn 0.05383640679417 0.44662390865440 0.28332817377169 118.710 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 23.240835740000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.732264830000004 0.000000000000000 c 0.000000000000000 0.000000000000000 12.414118230000000 Atomic positions (fractional): *1 Na 0.37244044998613 0.29346194251781 0.75460220505619 22.990 > 1 2 Na 0.87244044998613 0.29346194251781 0.75460220505619 22.990 > 1 3 Na 0.12244044998613 0.20653805748219 0.24539779494381 22.990 > 2 4 Na 0.62244044998613 0.20653805748219 0.24539779494381 22.990 > 2 5 Na 0.37755955001387 0.70653805748219 0.25460220505619 22.990 > 3 6 Na 0.87755955001387 0.70653805748219 0.25460220505619 22.990 > 3 7 Na 0.12755955001387 0.79346194251781 0.74539779494381 22.990 > 4 8 Na 0.62755955001387 0.79346194251781 0.74539779494381 22.990 > 4 9 Na 0.12755955001387 0.70653805748219 0.24539779494381 22.990 > 5 10 Na 0.62755955001387 0.70653805748219 0.24539779494381 22.990 > 5 11 Na 0.37755955001387 0.79346194251781 0.75460220505619 22.990 > 6 12 Na 0.87755955001387 0.79346194251781 0.75460220505619 22.990 > 6 13 Na 0.12244044998613 0.29346194251781 0.74539779494381 22.990 > 7 14 Na 0.62244044998613 0.29346194251781 0.74539779494381 22.990 > 7 15 Na 0.37244044998613 0.20653805748219 0.25460220505619 22.990 > 8 16 Na 0.87244044998613 0.20653805748219 0.25460220505619 22.990 > 8 *17 Na 0.00061174309270 0.23450368994807 0.50538416467094 22.990 > 9 18 Na 0.50061174309270 0.23450368994807 0.50538416467094 22.990 > 9 19 Na 0.25061174309270 0.26549631005193 0.49461583532906 22.990 > 10 20 Na 0.75061174309270 0.26549631005193 0.49461583532906 22.990 > 10 21 Na 0.24938825690730 0.76549631005193 0.00538416467094 22.990 > 11 22 Na 0.74938825690730 0.76549631005193 0.00538416467094 22.990 > 11 23 Na 0.49938825690730 0.73450368994807 0.99461583532906 22.990 > 12 24 Na 0.99938825690730 0.73450368994807 0.99461583532906 22.990 > 12 25 Na 0.49938825690730 0.76549631005193 0.49461583532906 22.990 > 13 26 Na 0.99938825690730 0.76549631005193 0.49461583532906 22.990 > 13 27 Na 0.24938825690730 0.73450368994807 0.50538416467094 22.990 > 14 28 Na 0.74938825690730 0.73450368994807 0.50538416467094 22.990 > 14 29 Na 0.25061174309270 0.23450368994807 0.99461583532906 22.990 > 15 30 Na 0.75061174309270 0.23450368994807 0.99461583532906 22.990 > 15 31 Na 0.00061174309270 0.26549631005193 0.00538416467094 22.990 > 16 32 Na 0.50061174309270 0.26549631005193 0.00538416467094 22.990 > 16 *33 Se 0.03606766184827 0.43007965751513 0.61485204254671 78.960 > 17 34 Se 0.53606766184827 0.43007965751513 0.61485204254671 78.960 > 17 *35 Se 0.49812893008464 0.27517785622692 0.25685824052510 78.960 > 18 36 Se 0.99812893008464 0.27517785622692 0.25685824052510 78.960 > 18 37 Se 0.24812893008464 0.22482214377308 0.74314175947490 78.960 > 19 38 Se 0.74812893008464 0.22482214377308 0.74314175947490 78.960 > 19 39 Se 0.25187106991536 0.72482214377308 0.75685824052510 78.960 > 20 40 Se 0.75187106991536 0.72482214377308 0.75685824052510 78.960 > 20 41 Se 0.00187106991536 0.77517785622692 0.24314175947490 78.960 > 21 42 Se 0.50187106991536 0.77517785622692 0.24314175947490 78.960 > 21 43 Se 0.00187106991536 0.72482214377308 0.74314175947490 78.960 > 22 44 Se 0.50187106991536 0.72482214377308 0.74314175947490 78.960 > 22 45 Se 0.25187106991536 0.77517785622692 0.25685824052510 78.960 > 23 46 Se 0.75187106991536 0.77517785622692 0.25685824052510 78.960 > 23 47 Se 0.24812893008464 0.27517785622692 0.24314175947490 78.960 > 24 48 Se 0.74812893008464 0.27517785622692 0.24314175947490 78.960 > 24 49 Se 0.49812893008464 0.22482214377308 0.75685824052510 78.960 > 25 50 Se 0.99812893008464 0.22482214377308 0.75685824052510 78.960 > 25 *51 Se 0.37772150205373 0.20902763467526 0.00163682459692 78.960 > 26 52 Se 0.87772150205373 0.20902763467526 0.00163682459692 78.960 > 26 53 Se 0.12772150205373 0.29097236532474 0.99836317540308 78.960 > 27 54 Se 0.62772150205373 0.29097236532474 0.99836317540308 78.960 > 27 55 Se 0.37227849794627 0.79097236532474 0.50163682459692 78.960 > 28 56 Se 0.87227849794627 0.79097236532474 0.50163682459692 78.960 > 28 57 Se 0.12227849794627 0.70902763467526 0.49836317540308 78.960 > 29 58 Se 0.62227849794627 0.70902763467526 0.49836317540308 78.960 > 29 59 Se 0.12227849794627 0.79097236532474 0.99836317540308 78.960 > 30 60 Se 0.62227849794627 0.79097236532474 0.99836317540308 78.960 > 30 61 Se 0.37227849794627 0.70902763467526 0.00163682459692 78.960 > 31 62 Se 0.87227849794627 0.70902763467526 0.00163682459692 78.960 > 31 63 Se 0.12772150205373 0.20902763467526 0.49836317540308 78.960 > 32 64 Se 0.62772150205373 0.20902763467526 0.49836317540308 78.960 > 32 *65 Se 0.38082841853379 0.06781288925110 0.64368481054389 78.960 > 33 66 Se 0.88082841853379 0.06781288925110 0.64368481054389 78.960 > 33 67 Se 0.13082841853379 0.43218711074890 0.35631518945611 78.960 > 34 68 Se 0.63082841853379 0.43218711074890 0.35631518945611 78.960 > 34 69 Se 0.36917158146621 0.93218711074890 0.14368481054389 78.960 > 35 70 Se 0.86917158146621 0.93218711074890 0.14368481054389 78.960 > 35 71 Se 0.11917158146621 0.56781288925110 0.85631518945611 78.960 > 36 72 Se 0.61917158146621 0.56781288925110 0.85631518945611 78.960 > 36 73 Se 0.11917158146621 0.93218711074890 0.35631518945611 78.960 > 37 74 Se 0.61917158146621 0.93218711074890 0.35631518945611 78.960 > 37 75 Se 0.36917158146621 0.56781288925110 0.64368481054389 78.960 > 38 76 Se 0.86917158146621 0.56781288925110 0.64368481054389 78.960 > 38 77 Se 0.13082841853379 0.06781288925110 0.85631518945611 78.960 > 39 78 Se 0.63082841853379 0.06781288925110 0.85631518945611 78.960 > 39 79 Se 0.38082841853379 0.43218711074890 0.14368481054389 78.960 > 40 80 Se 0.88082841853379 0.43218711074890 0.14368481054389 78.960 > 40 *81 Se 0.45550062512035 0.44422057746071 0.88125214683084 78.960 > 41 82 Se 0.95550062512035 0.44422057746071 0.88125214683084 78.960 > 41 83 Se 0.20550062512035 0.05577942253929 0.11874785316916 78.960 > 42 84 Se 0.70550062512035 0.05577942253929 0.11874785316916 78.960 > 42 85 Se 0.29449937487965 0.55577942253929 0.38125214683084 78.960 > 43 86 Se 0.79449937487965 0.55577942253929 0.38125214683084 78.960 > 43 87 Se 0.04449937487965 0.94422057746071 0.61874785316916 78.960 > 44 88 Se 0.54449937487965 0.94422057746071 0.61874785316916 78.960 > 44 89 Se 0.28606766184827 0.06992034248487 0.38514795745329 78.960 > 45 90 Se 0.78606766184827 0.06992034248487 0.38514795745329 78.960 > 45 91 Se 0.29449937487965 0.94422057746071 0.88125214683084 78.960 > 46 92 Se 0.79449937487965 0.94422057746071 0.88125214683084 78.960 > 46 93 Se 0.20550062512035 0.44422057746071 0.61874785316916 78.960 > 47 94 Se 0.70550062512035 0.44422057746071 0.61874785316916 78.960 > 47 95 Se 0.45550062512035 0.05577942253929 0.38125214683084 78.960 > 48 96 Se 0.95550062512035 0.05577942253929 0.38125214683084 78.960 > 48 97 Se 0.28606766184827 0.43007965751513 0.88514795745329 78.960 > 49 98 Se 0.78606766184827 0.43007965751513 0.88514795745329 78.960 > 49 99 Se 0.03606766184827 0.06992034248487 0.11485204254671 78.960 > 50 100 Se 0.53606766184827 0.06992034248487 0.11485204254671 78.960 > 50 101 Se 0.46393233815173 0.56992034248487 0.38514795745329 78.960 > 51 102 Se 0.96393233815173 0.56992034248487 0.38514795745329 78.960 > 51 103 Se 0.21393233815173 0.93007965751513 0.61485204254671 78.960 > 52 104 Se 0.71393233815173 0.93007965751513 0.61485204254671 78.960 > 52 105 Se 0.21393233815173 0.56992034248487 0.11485204254671 78.960 > 53 106 Se 0.71393233815173 0.56992034248487 0.11485204254671 78.960 > 53 107 Se 0.46393233815173 0.93007965751513 0.88514795745329 78.960 > 54 108 Se 0.96393233815173 0.93007965751513 0.88514795745329 78.960 > 54 109 Se 0.37772150205373 0.29097236532474 0.50163682459692 78.960 > 55 110 Se 0.87772150205373 0.29097236532474 0.50163682459692 78.960 > 55 111 Se 0.04449937487965 0.55577942253929 0.11874785316916 78.960 > 56 112 Se 0.54449937487965 0.55577942253929 0.11874785316916 78.960 > 56 *113 Sn 0.27691820339709 0.05337609134560 0.71667182622831 118.710 > 57 114 Sn 0.77691820339708 0.05337609134560 0.71667182622831 118.710 > 57 *115 Sn 0.38122306409546 0.46931068338053 0.46947951252981 118.710 > 58 116 Sn 0.88122306409546 0.46931068338053 0.46947951252981 118.710 > 58 117 Sn 0.13122306409546 0.03068931661947 0.53052048747019 118.710 > 59 118 Sn 0.63122306409546 0.03068931661947 0.53052048747019 118.710 > 59 119 Sn 0.36877693590454 0.53068931661947 0.96947951252981 118.710 > 60 120 Sn 0.86877693590454 0.53068931661947 0.96947951252981 118.710 > 60 121 Sn 0.11877693590454 0.96931068338053 0.03052048747019 118.710 > 61 122 Sn 0.61877693590454 0.96931068338053 0.03052048747019 118.710 > 61 123 Sn 0.11877693590454 0.53068931661947 0.53052048747019 118.710 > 62 124 Sn 0.61877693590454 0.53068931661947 0.53052048747019 118.710 > 62 125 Sn 0.36877693590454 0.96931068338053 0.46947951252981 118.710 > 63 126 Sn 0.86877693590454 0.96931068338053 0.46947951252981 118.710 > 63 127 Sn 0.13122306409546 0.46931068338053 0.03052048747019 118.710 > 64 128 Sn 0.63122306409546 0.46931068338053 0.03052048747019 118.710 > 64 129 Sn 0.38122306409546 0.03068931661947 0.96947951252981 118.710 > 65 130 Sn 0.88122306409546 0.03068931661947 0.96947951252981 118.710 > 65 131 Sn 0.27691820339709 0.44662390865440 0.21667182622831 118.710 > 66 132 Sn 0.77691820339708 0.44662390865440 0.21667182622831 118.710 > 66 133 Sn 0.02691820339708 0.05337609134560 0.78332817377169 118.710 > 67 134 Sn 0.52691820339708 0.05337609134560 0.78332817377169 118.710 > 67 135 Sn 0.47308179660291 0.55337609134560 0.71667182622831 118.710 > 68 136 Sn 0.97308179660292 0.55337609134560 0.71667182622831 118.710 > 68 137 Sn 0.22308179660291 0.94662390865440 0.28332817377169 118.710 > 69 138 Sn 0.72308179660292 0.94662390865440 0.28332817377169 118.710 > 69 139 Sn 0.22308179660291 0.55337609134560 0.78332817377169 118.710 > 70 140 Sn 0.72308179660292 0.55337609134560 0.78332817377169 118.710 > 70 141 Sn 0.47308179660291 0.94662390865440 0.21667182622831 118.710 > 71 142 Sn 0.97308179660292 0.94662390865440 0.21667182622831 118.710 > 71 143 Sn 0.02691820339708 0.44662390865440 0.28332817377169 118.710 > 72 144 Sn 0.52691820339708 0.44662390865440 0.28332817377169 118.710 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5404305 0.0000000 0.0000000 0.0000000 9.1689175 0.0000000 0.0000000 0.0000000 8.1633652 -------------------------- Born effective charges -------------------------- 1 Na 1.3242615 0.0184820 -0.0146431 -0.0352738 1.4986259 -0.0816207 0.0090548 0.1115001 1.3158966 2 Na 1.3242615 -0.0184820 0.0146431 0.0352738 1.4986259 -0.0816207 -0.0090548 0.1115001 1.3158966 3 Na 1.3242615 0.0184820 0.0146431 -0.0352738 1.4986259 0.0816207 -0.0090548 -0.1115001 1.3158966 4 Na 1.3242615 -0.0184820 -0.0146431 0.0352738 1.4986259 0.0816207 0.0090548 -0.1115001 1.3158966 5 Na 1.3242615 0.0184820 -0.0146431 -0.0352738 1.4986259 -0.0816207 0.0090548 0.1115001 1.3158966 6 Na 1.3242615 -0.0184820 0.0146431 0.0352738 1.4986259 -0.0816207 -0.0090548 0.1115001 1.3158966 7 Na 1.3242615 0.0184820 0.0146431 -0.0352738 1.4986259 0.0816207 -0.0090548 -0.1115001 1.3158966 8 Na 1.3242615 -0.0184820 -0.0146431 0.0352738 1.4986259 0.0816207 0.0090548 -0.1115001 1.3158966 9 Na 1.2429602 0.1270134 0.0732061 -0.1729635 1.4480574 0.0055512 0.3889307 0.1668229 1.3191067 10 Na 1.2429602 -0.1270134 -0.0732061 0.1729635 1.4480574 0.0055512 -0.3889307 0.1668229 1.3191067 11 Na 1.2429602 0.1270134 -0.0732061 -0.1729635 1.4480574 -0.0055512 -0.3889307 -0.1668229 1.3191067 12 Na 1.2429602 -0.1270134 0.0732061 0.1729635 1.4480574 -0.0055512 0.3889307 -0.1668229 1.3191067 13 Na 1.2429602 0.1270134 0.0732061 -0.1729635 1.4480574 0.0055512 0.3889307 0.1668229 1.3191067 14 Na 1.2429602 -0.1270134 -0.0732061 0.1729635 1.4480574 0.0055512 -0.3889307 0.1668229 1.3191067 15 Na 1.2429602 0.1270134 -0.0732061 -0.1729635 1.4480574 -0.0055512 -0.3889307 -0.1668229 1.3191067 16 Na 1.2429602 -0.1270134 0.0732061 0.1729635 1.4480574 -0.0055512 0.3889307 -0.1668229 1.3191067 17 Se -2.3222934 -0.0337650 0.6622145 -0.1146471 -1.5670418 -0.6067800 0.4915262 -0.2708684 -1.4763165 18 Se -1.6227059 -0.1554995 -0.3726669 -0.2086339 -1.9860600 -0.0810821 -0.8696505 -0.2267559 -1.2979239 19 Se -1.6227059 0.1554995 0.3726669 0.2086339 -1.9860600 -0.0810821 0.8696505 -0.2267559 -1.2979239 20 Se -1.6227059 -0.1554995 0.3726669 -0.2086339 -1.9860600 0.0810821 0.8696505 0.2267559 -1.2979239 21 Se -1.6227059 0.1554995 -0.3726669 0.2086339 -1.9860600 0.0810821 -0.8696505 0.2267559 -1.2979239 22 Se -1.6227059 -0.1554995 -0.3726669 -0.2086339 -1.9860600 -0.0810821 -0.8696505 -0.2267559 -1.2979239 23 Se -1.6227059 0.1554995 0.3726669 0.2086339 -1.9860600 -0.0810821 0.8696505 -0.2267559 -1.2979239 24 Se -1.6227059 -0.1554995 0.3726669 -0.2086339 -1.9860600 0.0810821 0.8696505 0.2267559 -1.2979239 25 Se -1.6227059 0.1554995 -0.3726669 0.2086339 -1.9860600 0.0810821 -0.8696505 0.2267559 -1.2979239 26 Se -1.6563596 0.0491539 -0.1740320 0.0901460 -1.2701621 0.2106283 -0.1206681 0.4731287 -1.1691549 27 Se -1.6563596 -0.0491539 0.1740320 -0.0901460 -1.2701621 0.2106283 0.1206681 0.4731287 -1.1691549 28 Se -1.6563596 0.0491539 0.1740320 0.0901460 -1.2701621 -0.2106283 0.1206681 -0.4731287 -1.1691549 29 Se -1.6563596 -0.0491539 -0.1740320 -0.0901460 -1.2701621 -0.2106283 -0.1206681 -0.4731287 -1.1691549 30 Se -1.6563596 0.0491539 -0.1740320 0.0901460 -1.2701621 0.2106283 -0.1206681 0.4731287 -1.1691549 31 Se -1.6563596 -0.0491539 0.1740320 -0.0901460 -1.2701621 0.2106283 0.1206681 0.4731287 -1.1691549 32 Se -1.6563596 0.0491539 0.1740320 0.0901460 -1.2701621 -0.2106283 0.1206681 -0.4731287 -1.1691549 33 Se -1.6204442 0.1852115 0.5317714 0.1257455 -1.5790373 -0.4459669 1.2059478 -0.1342668 -2.4697496 34 Se -1.6204442 -0.1852115 -0.5317714 -0.1257455 -1.5790373 -0.4459669 -1.2059478 -0.1342668 -2.4697496 35 Se -1.6204442 0.1852115 -0.5317714 0.1257455 -1.5790373 0.4459669 -1.2059478 0.1342668 -2.4697496 36 Se -1.6204442 -0.1852115 0.5317714 -0.1257455 -1.5790373 0.4459669 1.2059478 0.1342668 -2.4697496 37 Se -1.6204442 0.1852115 0.5317714 0.1257455 -1.5790373 -0.4459669 1.2059478 -0.1342668 -2.4697496 38 Se -1.6204442 -0.1852115 -0.5317714 -0.1257455 -1.5790373 -0.4459669 -1.2059478 -0.1342668 -2.4697496 39 Se -1.6204442 0.1852115 -0.5317714 0.1257455 -1.5790373 0.4459669 -1.2059478 0.1342668 -2.4697496 40 Se -1.6204442 -0.1852115 0.5317714 -0.1257455 -1.5790373 0.4459669 1.2059478 0.1342668 -2.4697496 41 Se -1.9896537 0.1472366 0.7488734 0.3429718 -1.5842557 0.8271136 0.4888356 0.5681244 -2.2131295 42 Se -1.9896537 -0.1472366 -0.7488734 -0.3429718 -1.5842557 0.8271136 -0.4888356 0.5681244 -2.2131295 43 Se -1.9896537 0.1472366 -0.7488734 0.3429718 -1.5842557 -0.8271136 -0.4888356 -0.5681244 -2.2131295 44 Se -1.9896537 -0.1472366 0.7488734 -0.3429718 -1.5842557 -0.8271136 0.4888356 -0.5681244 -2.2131295 45 Se -2.3222934 0.0337650 -0.6622145 0.1146471 -1.5670418 -0.6067800 -0.4915262 -0.2708684 -1.4763165 46 Se -1.9896537 -0.1472366 -0.7488734 -0.3429718 -1.5842557 0.8271136 -0.4888356 0.5681244 -2.2131295 47 Se -1.9896537 0.1472366 -0.7488734 0.3429718 -1.5842557 -0.8271136 -0.4888356 -0.5681244 -2.2131295 48 Se -1.9896537 -0.1472366 0.7488734 -0.3429718 -1.5842557 -0.8271136 0.4888356 -0.5681244 -2.2131295 49 Se -2.3222934 -0.0337650 -0.6622145 -0.1146471 -1.5670418 0.6067800 -0.4915262 0.2708684 -1.4763165 50 Se -2.3222934 0.0337650 0.6622145 0.1146471 -1.5670418 0.6067800 0.4915262 0.2708684 -1.4763165 51 Se -2.3222934 -0.0337650 0.6622145 -0.1146471 -1.5670418 -0.6067800 0.4915262 -0.2708684 -1.4763165 52 Se -2.3222934 0.0337650 -0.6622145 0.1146471 -1.5670418 -0.6067800 -0.4915262 -0.2708684 -1.4763165 53 Se -2.3222934 -0.0337650 -0.6622145 -0.1146471 -1.5670418 0.6067800 -0.4915262 0.2708684 -1.4763165 54 Se -2.3222934 0.0337650 0.6622145 0.1146471 -1.5670418 0.6067800 0.4915262 0.2708684 -1.4763165 55 Se -1.6563596 -0.0491539 -0.1740320 -0.0901460 -1.2701621 -0.2106283 -0.1206681 -0.4731287 -1.1691549 56 Se -1.9896537 0.1472366 0.7488734 0.3429718 -1.5842557 0.8271136 0.4888356 0.5681244 -2.2131295 57 Sn 3.2432264 -0.0279117 0.5130175 -0.1640162 2.6483126 -0.0555623 -1.5330898 -0.1261090 3.0921975 58 Sn 3.4010087 0.4544836 0.4159673 -0.0743755 2.3915608 0.8967819 0.2307988 -0.1167597 2.8990736 59 Sn 3.4010087 -0.4544836 -0.4159673 0.0743755 2.3915608 0.8967819 -0.2307988 -0.1167597 2.8990736 60 Sn 3.4010087 0.4544836 -0.4159673 -0.0743755 2.3915608 -0.8967819 -0.2307988 0.1167597 2.8990736 61 Sn 3.4010087 -0.4544836 0.4159673 0.0743755 2.3915608 -0.8967819 0.2307988 0.1167597 2.8990736 62 Sn 3.4010087 0.4544836 0.4159673 -0.0743755 2.3915608 0.8967819 0.2307988 -0.1167597 2.8990736 63 Sn 3.4010087 -0.4544836 -0.4159673 0.0743755 2.3915608 0.8967819 -0.2307988 -0.1167597 2.8990736 64 Sn 3.4010087 0.4544836 -0.4159673 -0.0743755 2.3915608 -0.8967819 -0.2307988 0.1167597 2.8990736 65 Sn 3.4010087 -0.4544836 0.4159673 0.0743755 2.3915608 -0.8967819 0.2307988 0.1167597 2.8990736 66 Sn 3.2432264 0.0279117 0.5130175 0.1640162 2.6483126 0.0555623 -1.5330898 0.1261090 3.0921975 67 Sn 3.2432264 -0.0279117 -0.5130175 -0.1640162 2.6483126 0.0555623 1.5330898 0.1261090 3.0921975 68 Sn 3.2432264 0.0279117 -0.5130175 0.1640162 2.6483126 -0.0555623 1.5330898 -0.1261090 3.0921975 69 Sn 3.2432264 -0.0279117 0.5130175 -0.1640162 2.6483126 -0.0555623 -1.5330898 -0.1261090 3.0921975 70 Sn 3.2432264 0.0279117 0.5130175 0.1640162 2.6483126 0.0555623 -1.5330898 0.1261090 3.0921975 71 Sn 3.2432264 -0.0279117 -0.5130175 -0.1640162 2.6483126 0.0555623 1.5330898 0.1261090 3.0921975 72 Sn 3.2432264 0.0279117 -0.5130175 0.1640162 2.6483126 -0.0555623 1.5330898 -0.1261090 3.0921975 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5913), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 278), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 278), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 280), data: True |-- (500, 484), data: False |-- (500, 10), data: (500, 26) @ (26, 10) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 1120 - Time: 3.532 Solver_block: 200 / 1120 - Time: 4.197 Solver_block: 300 / 1120 - Time: 3.442 Solver_block: 400 / 1120 - Time: 3.205 Solver_block: 500 / 1120 - Time: 3.428 Solver_block: 600 / 1120 - Time: 2.975 Solver_block: 700 / 1120 - Time: 3.343 Solver_block: 800 / 1120 - Time: 3.127 Solver_block: 900 / 1120 - Time: 3.399 Solver_block: 1000 / 1120 - Time: 3.594 Solver_block: 1100 / 1120 - Time: 2.905 Solver_block: 1120 / 1120 - Time: 0.743 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 39.202 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5913), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 278), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 278), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 280), data: True |-- (500, 484), data: False |-- (500, 10), data: (500, 26) @ (26, 10) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:54:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:54:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.620417870000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.732264830000004 0.000000000000000 c 0.000000000000000 0.000000000000000 12.414118230000000 Atomic positions (fractional): 1 Na 0.74488089997227 0.29346194251781 0.75460220505619 22.990 2 Na 0.24488089997227 0.20653805748219 0.24539779494381 22.990 3 Na 0.75511910002773 0.70653805748219 0.25460220505619 22.990 4 Na 0.25511910002773 0.79346194251781 0.74539779494381 22.990 5 Na 0.25511910002773 0.70653805748219 0.24539779494381 22.990 6 Na 0.75511910002773 0.79346194251781 0.75460220505619 22.990 7 Na 0.24488089997227 0.29346194251781 0.74539779494381 22.990 8 Na 0.74488089997227 0.20653805748219 0.25460220505619 22.990 9 Na 0.00122348618540 0.23450368994807 0.50538416467094 22.990 10 Na 0.50122348618540 0.26549631005193 0.49461583532906 22.990 11 Na 0.49877651381460 0.76549631005193 0.00538416467094 22.990 12 Na 0.99877651381460 0.73450368994807 0.99461583532906 22.990 13 Na 0.99877651381460 0.76549631005193 0.49461583532906 22.990 14 Na 0.49877651381460 0.73450368994807 0.50538416467094 22.990 15 Na 0.50122348618540 0.23450368994807 0.99461583532906 22.990 16 Na 0.00122348618540 0.26549631005193 0.00538416467094 22.990 17 Se 0.07213532369655 0.43007965751513 0.61485204254671 78.960 18 Se 0.99625786016928 0.27517785622692 0.25685824052510 78.960 19 Se 0.49625786016928 0.22482214377308 0.74314175947490 78.960 20 Se 0.50374213983072 0.72482214377308 0.75685824052510 78.960 21 Se 0.00374213983072 0.77517785622692 0.24314175947490 78.960 22 Se 0.00374213983072 0.72482214377308 0.74314175947490 78.960 23 Se 0.50374213983072 0.77517785622692 0.25685824052510 78.960 24 Se 0.49625786016928 0.27517785622692 0.24314175947490 78.960 25 Se 0.99625786016928 0.22482214377308 0.75685824052510 78.960 26 Se 0.75544300410746 0.20902763467526 0.00163682459692 78.960 27 Se 0.25544300410746 0.29097236532474 0.99836317540308 78.960 28 Se 0.74455699589254 0.79097236532474 0.50163682459692 78.960 29 Se 0.24455699589254 0.70902763467526 0.49836317540308 78.960 30 Se 0.24455699589254 0.79097236532474 0.99836317540308 78.960 31 Se 0.74455699589254 0.70902763467526 0.00163682459692 78.960 32 Se 0.25544300410746 0.20902763467526 0.49836317540308 78.960 33 Se 0.76165683706758 0.06781288925110 0.64368481054389 78.960 34 Se 0.26165683706758 0.43218711074890 0.35631518945611 78.960 35 Se 0.73834316293242 0.93218711074890 0.14368481054389 78.960 36 Se 0.23834316293242 0.56781288925110 0.85631518945611 78.960 37 Se 0.23834316293242 0.93218711074890 0.35631518945611 78.960 38 Se 0.73834316293242 0.56781288925110 0.64368481054389 78.960 39 Se 0.26165683706758 0.06781288925110 0.85631518945611 78.960 40 Se 0.76165683706758 0.43218711074890 0.14368481054389 78.960 41 Se 0.91100125024070 0.44422057746071 0.88125214683084 78.960 42 Se 0.41100125024070 0.05577942253929 0.11874785316916 78.960 43 Se 0.58899874975930 0.55577942253929 0.38125214683084 78.960 44 Se 0.08899874975930 0.94422057746071 0.61874785316916 78.960 45 Se 0.57213532369654 0.06992034248487 0.38514795745329 78.960 46 Se 0.58899874975930 0.94422057746071 0.88125214683084 78.960 47 Se 0.41100125024070 0.44422057746071 0.61874785316916 78.960 48 Se 0.91100125024070 0.05577942253929 0.38125214683084 78.960 49 Se 0.57213532369654 0.43007965751513 0.88514795745329 78.960 50 Se 0.07213532369655 0.06992034248487 0.11485204254671 78.960 51 Se 0.92786467630346 0.56992034248487 0.38514795745329 78.960 52 Se 0.42786467630345 0.93007965751513 0.61485204254671 78.960 53 Se 0.42786467630345 0.56992034248487 0.11485204254671 78.960 54 Se 0.92786467630346 0.93007965751513 0.88514795745329 78.960 55 Se 0.75544300410746 0.29097236532474 0.50163682459692 78.960 56 Se 0.08899874975930 0.55577942253929 0.11874785316916 78.960 57 Sn 0.55383640679417 0.05337609134560 0.71667182622831 118.710 58 Sn 0.76244612819092 0.46931068338053 0.46947951252981 118.710 59 Sn 0.26244612819092 0.03068931661947 0.53052048747019 118.710 60 Sn 0.73755387180908 0.53068931661947 0.96947951252981 118.710 61 Sn 0.23755387180908 0.96931068338053 0.03052048747019 118.710 62 Sn 0.23755387180908 0.53068931661947 0.53052048747019 118.710 63 Sn 0.73755387180908 0.96931068338053 0.46947951252981 118.710 64 Sn 0.26244612819092 0.46931068338053 0.03052048747019 118.710 65 Sn 0.76244612819092 0.03068931661947 0.96947951252981 118.710 66 Sn 0.55383640679417 0.44662390865440 0.21667182622831 118.710 67 Sn 0.05383640679417 0.05337609134560 0.78332817377169 118.710 68 Sn 0.94616359320583 0.55337609134560 0.71667182622831 118.710 69 Sn 0.44616359320583 0.94662390865440 0.28332817377169 118.710 70 Sn 0.44616359320583 0.55337609134560 0.78332817377169 118.710 71 Sn 0.94616359320583 0.94662390865440 0.21667182622831 118.710 72 Sn 0.05383640679417 0.44662390865440 0.28332817377169 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 23.240835740000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.732264830000004 0.000000000000000 c 0.000000000000000 0.000000000000000 12.414118230000000 Atomic positions (fractional): 1 Na 0.37244044998613 0.29346194251781 0.75460220505619 22.990 > 1 2 Na 0.87244044998613 0.29346194251781 0.75460220505619 22.990 > 1 3 Na 0.12244044998613 0.20653805748219 0.24539779494381 22.990 > 3 4 Na 0.62244044998613 0.20653805748219 0.24539779494381 22.990 > 3 5 Na 0.37755955001387 0.70653805748219 0.25460220505619 22.990 > 5 6 Na 0.87755955001387 0.70653805748219 0.25460220505619 22.990 > 5 7 Na 0.12755955001387 0.79346194251781 0.74539779494381 22.990 > 7 8 Na 0.62755955001387 0.79346194251781 0.74539779494381 22.990 > 7 9 Na 0.12755955001387 0.70653805748219 0.24539779494381 22.990 > 9 10 Na 0.62755955001387 0.70653805748219 0.24539779494381 22.990 > 9 11 Na 0.37755955001387 0.79346194251781 0.75460220505619 22.990 > 11 12 Na 0.87755955001387 0.79346194251781 0.75460220505619 22.990 > 11 13 Na 0.12244044998613 0.29346194251781 0.74539779494381 22.990 > 13 14 Na 0.62244044998613 0.29346194251781 0.74539779494381 22.990 > 13 15 Na 0.37244044998613 0.20653805748219 0.25460220505619 22.990 > 15 16 Na 0.87244044998613 0.20653805748219 0.25460220505619 22.990 > 15 17 Na 0.00061174309270 0.23450368994807 0.50538416467094 22.990 > 17 18 Na 0.50061174309270 0.23450368994807 0.50538416467094 22.990 > 17 19 Na 0.25061174309270 0.26549631005193 0.49461583532906 22.990 > 19 20 Na 0.75061174309270 0.26549631005193 0.49461583532906 22.990 > 19 21 Na 0.24938825690730 0.76549631005193 0.00538416467094 22.990 > 21 22 Na 0.74938825690730 0.76549631005193 0.00538416467094 22.990 > 21 23 Na 0.49938825690730 0.73450368994807 0.99461583532906 22.990 > 23 24 Na 0.99938825690730 0.73450368994807 0.99461583532906 22.990 > 23 25 Na 0.49938825690730 0.76549631005193 0.49461583532906 22.990 > 25 26 Na 0.99938825690730 0.76549631005193 0.49461583532906 22.990 > 25 27 Na 0.24938825690730 0.73450368994807 0.50538416467094 22.990 > 27 28 Na 0.74938825690730 0.73450368994807 0.50538416467094 22.990 > 27 29 Na 0.25061174309270 0.23450368994807 0.99461583532906 22.990 > 29 30 Na 0.75061174309270 0.23450368994807 0.99461583532906 22.990 > 29 31 Na 0.00061174309270 0.26549631005193 0.00538416467094 22.990 > 31 32 Na 0.50061174309270 0.26549631005193 0.00538416467094 22.990 > 31 33 Se 0.03606766184827 0.43007965751513 0.61485204254671 78.960 > 33 34 Se 0.53606766184827 0.43007965751513 0.61485204254671 78.960 > 33 35 Se 0.49812893008464 0.27517785622692 0.25685824052510 78.960 > 35 36 Se 0.99812893008464 0.27517785622692 0.25685824052510 78.960 > 35 37 Se 0.24812893008464 0.22482214377308 0.74314175947490 78.960 > 37 38 Se 0.74812893008464 0.22482214377308 0.74314175947490 78.960 > 37 39 Se 0.25187106991536 0.72482214377308 0.75685824052510 78.960 > 39 40 Se 0.75187106991536 0.72482214377308 0.75685824052510 78.960 > 39 41 Se 0.00187106991536 0.77517785622692 0.24314175947490 78.960 > 41 42 Se 0.50187106991536 0.77517785622692 0.24314175947490 78.960 > 41 43 Se 0.00187106991536 0.72482214377308 0.74314175947490 78.960 > 43 44 Se 0.50187106991536 0.72482214377308 0.74314175947490 78.960 > 43 45 Se 0.25187106991536 0.77517785622692 0.25685824052510 78.960 > 45 46 Se 0.75187106991536 0.77517785622692 0.25685824052510 78.960 > 45 47 Se 0.24812893008464 0.27517785622692 0.24314175947490 78.960 > 47 48 Se 0.74812893008464 0.27517785622692 0.24314175947490 78.960 > 47 49 Se 0.49812893008464 0.22482214377308 0.75685824052510 78.960 > 49 50 Se 0.99812893008464 0.22482214377308 0.75685824052510 78.960 > 49 51 Se 0.37772150205373 0.20902763467526 0.00163682459692 78.960 > 51 52 Se 0.87772150205373 0.20902763467526 0.00163682459692 78.960 > 51 53 Se 0.12772150205373 0.29097236532474 0.99836317540308 78.960 > 53 54 Se 0.62772150205373 0.29097236532474 0.99836317540308 78.960 > 53 55 Se 0.37227849794627 0.79097236532474 0.50163682459692 78.960 > 55 56 Se 0.87227849794627 0.79097236532474 0.50163682459692 78.960 > 55 57 Se 0.12227849794627 0.70902763467526 0.49836317540308 78.960 > 57 58 Se 0.62227849794627 0.70902763467526 0.49836317540308 78.960 > 57 59 Se 0.12227849794627 0.79097236532474 0.99836317540308 78.960 > 59 60 Se 0.62227849794627 0.79097236532474 0.99836317540308 78.960 > 59 61 Se 0.37227849794627 0.70902763467526 0.00163682459692 78.960 > 61 62 Se 0.87227849794627 0.70902763467526 0.00163682459692 78.960 > 61 63 Se 0.12772150205373 0.20902763467526 0.49836317540308 78.960 > 63 64 Se 0.62772150205373 0.20902763467526 0.49836317540308 78.960 > 63 65 Se 0.38082841853379 0.06781288925110 0.64368481054389 78.960 > 65 66 Se 0.88082841853379 0.06781288925110 0.64368481054389 78.960 > 65 67 Se 0.13082841853379 0.43218711074890 0.35631518945611 78.960 > 67 68 Se 0.63082841853379 0.43218711074890 0.35631518945611 78.960 > 67 69 Se 0.36917158146621 0.93218711074890 0.14368481054389 78.960 > 69 70 Se 0.86917158146621 0.93218711074890 0.14368481054389 78.960 > 69 71 Se 0.11917158146621 0.56781288925110 0.85631518945611 78.960 > 71 72 Se 0.61917158146621 0.56781288925110 0.85631518945611 78.960 > 71 73 Se 0.11917158146621 0.93218711074890 0.35631518945611 78.960 > 73 74 Se 0.61917158146621 0.93218711074890 0.35631518945611 78.960 > 73 75 Se 0.36917158146621 0.56781288925110 0.64368481054389 78.960 > 75 76 Se 0.86917158146621 0.56781288925110 0.64368481054389 78.960 > 75 77 Se 0.13082841853379 0.06781288925110 0.85631518945611 78.960 > 77 78 Se 0.63082841853379 0.06781288925110 0.85631518945611 78.960 > 77 79 Se 0.38082841853379 0.43218711074890 0.14368481054389 78.960 > 79 80 Se 0.88082841853379 0.43218711074890 0.14368481054389 78.960 > 79 81 Se 0.45550062512035 0.44422057746071 0.88125214683084 78.960 > 81 82 Se 0.95550062512035 0.44422057746071 0.88125214683084 78.960 > 81 83 Se 0.20550062512035 0.05577942253929 0.11874785316916 78.960 > 83 84 Se 0.70550062512035 0.05577942253929 0.11874785316916 78.960 > 83 85 Se 0.29449937487965 0.55577942253929 0.38125214683084 78.960 > 85 86 Se 0.79449937487965 0.55577942253929 0.38125214683084 78.960 > 85 87 Se 0.04449937487965 0.94422057746071 0.61874785316916 78.960 > 87 88 Se 0.54449937487965 0.94422057746071 0.61874785316916 78.960 > 87 89 Se 0.28606766184827 0.06992034248487 0.38514795745329 78.960 > 89 90 Se 0.78606766184827 0.06992034248487 0.38514795745329 78.960 > 89 91 Se 0.29449937487965 0.94422057746071 0.88125214683084 78.960 > 91 92 Se 0.79449937487965 0.94422057746071 0.88125214683084 78.960 > 91 93 Se 0.20550062512035 0.44422057746071 0.61874785316916 78.960 > 93 94 Se 0.70550062512035 0.44422057746071 0.61874785316916 78.960 > 93 95 Se 0.45550062512035 0.05577942253929 0.38125214683084 78.960 > 95 96 Se 0.95550062512035 0.05577942253929 0.38125214683084 78.960 > 95 97 Se 0.28606766184827 0.43007965751513 0.88514795745329 78.960 > 97 98 Se 0.78606766184827 0.43007965751513 0.88514795745329 78.960 > 97 99 Se 0.03606766184827 0.06992034248487 0.11485204254671 78.960 > 99 100 Se 0.53606766184827 0.06992034248487 0.11485204254671 78.960 > 99 101 Se 0.46393233815173 0.56992034248487 0.38514795745329 78.960 > 101 102 Se 0.96393233815173 0.56992034248487 0.38514795745329 78.960 > 101 103 Se 0.21393233815173 0.93007965751513 0.61485204254671 78.960 > 103 104 Se 0.71393233815173 0.93007965751513 0.61485204254671 78.960 > 103 105 Se 0.21393233815173 0.56992034248487 0.11485204254671 78.960 > 105 106 Se 0.71393233815173 0.56992034248487 0.11485204254671 78.960 > 105 107 Se 0.46393233815173 0.93007965751513 0.88514795745329 78.960 > 107 108 Se 0.96393233815173 0.93007965751513 0.88514795745329 78.960 > 107 109 Se 0.37772150205373 0.29097236532474 0.50163682459692 78.960 > 109 110 Se 0.87772150205373 0.29097236532474 0.50163682459692 78.960 > 109 111 Se 0.04449937487965 0.55577942253929 0.11874785316916 78.960 > 111 112 Se 0.54449937487965 0.55577942253929 0.11874785316916 78.960 > 111 113 Sn 0.27691820339709 0.05337609134560 0.71667182622831 118.710 > 113 114 Sn 0.77691820339708 0.05337609134560 0.71667182622831 118.710 > 113 115 Sn 0.38122306409546 0.46931068338053 0.46947951252981 118.710 > 115 116 Sn 0.88122306409546 0.46931068338053 0.46947951252981 118.710 > 115 117 Sn 0.13122306409546 0.03068931661947 0.53052048747019 118.710 > 117 118 Sn 0.63122306409546 0.03068931661947 0.53052048747019 118.710 > 117 119 Sn 0.36877693590454 0.53068931661947 0.96947951252981 118.710 > 119 120 Sn 0.86877693590454 0.53068931661947 0.96947951252981 118.710 > 119 121 Sn 0.11877693590454 0.96931068338053 0.03052048747019 118.710 > 121 122 Sn 0.61877693590454 0.96931068338053 0.03052048747019 118.710 > 121 123 Sn 0.11877693590454 0.53068931661947 0.53052048747019 118.710 > 123 124 Sn 0.61877693590454 0.53068931661947 0.53052048747019 118.710 > 123 125 Sn 0.36877693590454 0.96931068338053 0.46947951252981 118.710 > 125 126 Sn 0.86877693590454 0.96931068338053 0.46947951252981 118.710 > 125 127 Sn 0.13122306409546 0.46931068338053 0.03052048747019 118.710 > 127 128 Sn 0.63122306409546 0.46931068338053 0.03052048747019 118.710 > 127 129 Sn 0.38122306409546 0.03068931661947 0.96947951252981 118.710 > 129 130 Sn 0.88122306409546 0.03068931661947 0.96947951252981 118.710 > 129 131 Sn 0.27691820339709 0.44662390865440 0.21667182622831 118.710 > 131 132 Sn 0.77691820339708 0.44662390865440 0.21667182622831 118.710 > 131 133 Sn 0.02691820339708 0.05337609134560 0.78332817377169 118.710 > 133 134 Sn 0.52691820339708 0.05337609134560 0.78332817377169 118.710 > 133 135 Sn 0.47308179660291 0.55337609134560 0.71667182622831 118.710 > 135 136 Sn 0.97308179660292 0.55337609134560 0.71667182622831 118.710 > 135 137 Sn 0.22308179660291 0.94662390865440 0.28332817377169 118.710 > 137 138 Sn 0.72308179660292 0.94662390865440 0.28332817377169 118.710 > 137 139 Sn 0.22308179660291 0.55337609134560 0.78332817377169 118.710 > 139 140 Sn 0.72308179660292 0.55337609134560 0.78332817377169 118.710 > 139 141 Sn 0.47308179660291 0.94662390865440 0.21667182622831 118.710 > 141 142 Sn 0.97308179660292 0.94662390865440 0.21667182622831 118.710 > 141 143 Sn 0.02691820339708 0.44662390865440 0.28332817377169 118.710 > 143 144 Sn 0.52691820339708 0.44662390865440 0.28332817377169 118.710 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5404305 0.0000000 0.0000000 0.0000000 9.1689175 0.0000000 0.0000000 0.0000000 8.1633652 -------------------------- Born effective charges -------------------------- 1 Na 1.3242615 0.0184820 -0.0146431 -0.0352738 1.4986259 -0.0816207 0.0090548 0.1115001 1.3158966 2 Na 1.3242615 -0.0184820 0.0146431 0.0352738 1.4986259 -0.0816207 -0.0090548 0.1115001 1.3158966 3 Na 1.3242615 0.0184820 0.0146431 -0.0352738 1.4986259 0.0816207 -0.0090548 -0.1115001 1.3158966 4 Na 1.3242615 -0.0184820 -0.0146431 0.0352738 1.4986259 0.0816207 0.0090548 -0.1115001 1.3158966 5 Na 1.3242615 0.0184820 -0.0146431 -0.0352738 1.4986259 -0.0816207 0.0090548 0.1115001 1.3158966 6 Na 1.3242615 -0.0184820 0.0146431 0.0352738 1.4986259 -0.0816207 -0.0090548 0.1115001 1.3158966 7 Na 1.3242615 0.0184820 0.0146431 -0.0352738 1.4986259 0.0816207 -0.0090548 -0.1115001 1.3158966 8 Na 1.3242615 -0.0184820 -0.0146431 0.0352738 1.4986259 0.0816207 0.0090548 -0.1115001 1.3158966 9 Na 1.2429602 0.1270134 0.0732061 -0.1729635 1.4480574 0.0055512 0.3889307 0.1668229 1.3191067 10 Na 1.2429602 -0.1270134 -0.0732061 0.1729635 1.4480574 0.0055512 -0.3889307 0.1668229 1.3191067 11 Na 1.2429602 0.1270134 -0.0732061 -0.1729635 1.4480574 -0.0055512 -0.3889307 -0.1668229 1.3191067 12 Na 1.2429602 -0.1270134 0.0732061 0.1729635 1.4480574 -0.0055512 0.3889307 -0.1668229 1.3191067 13 Na 1.2429602 0.1270134 0.0732061 -0.1729635 1.4480574 0.0055512 0.3889307 0.1668229 1.3191067 14 Na 1.2429602 -0.1270134 -0.0732061 0.1729635 1.4480574 0.0055512 -0.3889307 0.1668229 1.3191067 15 Na 1.2429602 0.1270134 -0.0732061 -0.1729635 1.4480574 -0.0055512 -0.3889307 -0.1668229 1.3191067 16 Na 1.2429602 -0.1270134 0.0732061 0.1729635 1.4480574 -0.0055512 0.3889307 -0.1668229 1.3191067 17 Se -2.3222934 -0.0337650 0.6622145 -0.1146471 -1.5670418 -0.6067800 0.4915262 -0.2708684 -1.4763165 18 Se -1.6227059 -0.1554995 -0.3726669 -0.2086339 -1.9860600 -0.0810821 -0.8696505 -0.2267559 -1.2979239 19 Se -1.6227059 0.1554995 0.3726669 0.2086339 -1.9860600 -0.0810821 0.8696505 -0.2267559 -1.2979239 20 Se -1.6227059 -0.1554995 0.3726669 -0.2086339 -1.9860600 0.0810821 0.8696505 0.2267559 -1.2979239 21 Se -1.6227059 0.1554995 -0.3726669 0.2086339 -1.9860600 0.0810821 -0.8696505 0.2267559 -1.2979239 22 Se -1.6227059 -0.1554995 -0.3726669 -0.2086339 -1.9860600 -0.0810821 -0.8696505 -0.2267559 -1.2979239 23 Se -1.6227059 0.1554995 0.3726669 0.2086339 -1.9860600 -0.0810821 0.8696505 -0.2267559 -1.2979239 24 Se -1.6227059 -0.1554995 0.3726669 -0.2086339 -1.9860600 0.0810821 0.8696505 0.2267559 -1.2979239 25 Se -1.6227059 0.1554995 -0.3726669 0.2086339 -1.9860600 0.0810821 -0.8696505 0.2267559 -1.2979239 26 Se -1.6563596 0.0491539 -0.1740320 0.0901460 -1.2701621 0.2106283 -0.1206681 0.4731287 -1.1691549 27 Se -1.6563596 -0.0491539 0.1740320 -0.0901460 -1.2701621 0.2106283 0.1206681 0.4731287 -1.1691549 28 Se -1.6563596 0.0491539 0.1740320 0.0901460 -1.2701621 -0.2106283 0.1206681 -0.4731287 -1.1691549 29 Se -1.6563596 -0.0491539 -0.1740320 -0.0901460 -1.2701621 -0.2106283 -0.1206681 -0.4731287 -1.1691549 30 Se -1.6563596 0.0491539 -0.1740320 0.0901460 -1.2701621 0.2106283 -0.1206681 0.4731287 -1.1691549 31 Se -1.6563596 -0.0491539 0.1740320 -0.0901460 -1.2701621 0.2106283 0.1206681 0.4731287 -1.1691549 32 Se -1.6563596 0.0491539 0.1740320 0.0901460 -1.2701621 -0.2106283 0.1206681 -0.4731287 -1.1691549 33 Se -1.6204442 0.1852115 0.5317714 0.1257455 -1.5790373 -0.4459669 1.2059478 -0.1342668 -2.4697496 34 Se -1.6204442 -0.1852115 -0.5317714 -0.1257455 -1.5790373 -0.4459669 -1.2059478 -0.1342668 -2.4697496 35 Se -1.6204442 0.1852115 -0.5317714 0.1257455 -1.5790373 0.4459669 -1.2059478 0.1342668 -2.4697496 36 Se -1.6204442 -0.1852115 0.5317714 -0.1257455 -1.5790373 0.4459669 1.2059478 0.1342668 -2.4697496 37 Se -1.6204442 0.1852115 0.5317714 0.1257455 -1.5790373 -0.4459669 1.2059478 -0.1342668 -2.4697496 38 Se -1.6204442 -0.1852115 -0.5317714 -0.1257455 -1.5790373 -0.4459669 -1.2059478 -0.1342668 -2.4697496 39 Se -1.6204442 0.1852115 -0.5317714 0.1257455 -1.5790373 0.4459669 -1.2059478 0.1342668 -2.4697496 40 Se -1.6204442 -0.1852115 0.5317714 -0.1257455 -1.5790373 0.4459669 1.2059478 0.1342668 -2.4697496 41 Se -1.9896537 0.1472366 0.7488734 0.3429718 -1.5842557 0.8271136 0.4888356 0.5681244 -2.2131295 42 Se -1.9896537 -0.1472366 -0.7488734 -0.3429718 -1.5842557 0.8271136 -0.4888356 0.5681244 -2.2131295 43 Se -1.9896537 0.1472366 -0.7488734 0.3429718 -1.5842557 -0.8271136 -0.4888356 -0.5681244 -2.2131295 44 Se -1.9896537 -0.1472366 0.7488734 -0.3429718 -1.5842557 -0.8271136 0.4888356 -0.5681244 -2.2131295 45 Se -2.3222934 0.0337650 -0.6622145 0.1146471 -1.5670418 -0.6067800 -0.4915262 -0.2708684 -1.4763165 46 Se -1.9896537 -0.1472366 -0.7488734 -0.3429718 -1.5842557 0.8271136 -0.4888356 0.5681244 -2.2131295 47 Se -1.9896537 0.1472366 -0.7488734 0.3429718 -1.5842557 -0.8271136 -0.4888356 -0.5681244 -2.2131295 48 Se -1.9896537 -0.1472366 0.7488734 -0.3429718 -1.5842557 -0.8271136 0.4888356 -0.5681244 -2.2131295 49 Se -2.3222934 -0.0337650 -0.6622145 -0.1146471 -1.5670418 0.6067800 -0.4915262 0.2708684 -1.4763165 50 Se -2.3222934 0.0337650 0.6622145 0.1146471 -1.5670418 0.6067800 0.4915262 0.2708684 -1.4763165 51 Se -2.3222934 -0.0337650 0.6622145 -0.1146471 -1.5670418 -0.6067800 0.4915262 -0.2708684 -1.4763165 52 Se -2.3222934 0.0337650 -0.6622145 0.1146471 -1.5670418 -0.6067800 -0.4915262 -0.2708684 -1.4763165 53 Se -2.3222934 -0.0337650 -0.6622145 -0.1146471 -1.5670418 0.6067800 -0.4915262 0.2708684 -1.4763165 54 Se -2.3222934 0.0337650 0.6622145 0.1146471 -1.5670418 0.6067800 0.4915262 0.2708684 -1.4763165 55 Se -1.6563596 -0.0491539 -0.1740320 -0.0901460 -1.2701621 -0.2106283 -0.1206681 -0.4731287 -1.1691549 56 Se -1.9896537 0.1472366 0.7488734 0.3429718 -1.5842557 0.8271136 0.4888356 0.5681244 -2.2131295 57 Sn 3.2432264 -0.0279117 0.5130175 -0.1640162 2.6483126 -0.0555623 -1.5330898 -0.1261090 3.0921975 58 Sn 3.4010087 0.4544836 0.4159673 -0.0743755 2.3915608 0.8967819 0.2307988 -0.1167597 2.8990736 59 Sn 3.4010087 -0.4544836 -0.4159673 0.0743755 2.3915608 0.8967819 -0.2307988 -0.1167597 2.8990736 60 Sn 3.4010087 0.4544836 -0.4159673 -0.0743755 2.3915608 -0.8967819 -0.2307988 0.1167597 2.8990736 61 Sn 3.4010087 -0.4544836 0.4159673 0.0743755 2.3915608 -0.8967819 0.2307988 0.1167597 2.8990736 62 Sn 3.4010087 0.4544836 0.4159673 -0.0743755 2.3915608 0.8967819 0.2307988 -0.1167597 2.8990736 63 Sn 3.4010087 -0.4544836 -0.4159673 0.0743755 2.3915608 0.8967819 -0.2307988 -0.1167597 2.8990736 64 Sn 3.4010087 0.4544836 -0.4159673 -0.0743755 2.3915608 -0.8967819 -0.2307988 0.1167597 2.8990736 65 Sn 3.4010087 -0.4544836 0.4159673 0.0743755 2.3915608 -0.8967819 0.2307988 0.1167597 2.8990736 66 Sn 3.2432264 0.0279117 0.5130175 0.1640162 2.6483126 0.0555623 -1.5330898 0.1261090 3.0921975 67 Sn 3.2432264 -0.0279117 -0.5130175 -0.1640162 2.6483126 0.0555623 1.5330898 0.1261090 3.0921975 68 Sn 3.2432264 0.0279117 -0.5130175 0.1640162 2.6483126 -0.0555623 1.5330898 -0.1261090 3.0921975 69 Sn 3.2432264 -0.0279117 0.5130175 -0.1640162 2.6483126 -0.0555623 -1.5330898 -0.1261090 3.0921975 70 Sn 3.2432264 0.0279117 0.5130175 0.1640162 2.6483126 0.0555623 -1.5330898 0.1261090 3.0921975 71 Sn 3.2432264 -0.0279117 -0.5130175 -0.1640162 2.6483126 0.0555623 1.5330898 0.1261090 3.0921975 72 Sn 3.2432264 0.0279117 -0.5130175 0.1640162 2.6483126 -0.0555623 1.5330898 -0.1261090 3.0921975 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 115, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:55:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:55:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.620417870000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.732264830000004 0.000000000000000 c 0.000000000000000 0.000000000000000 12.414118230000000 Atomic positions (fractional): 1 Na 0.74488089997227 0.29346194251781 0.75460220505619 22.990 2 Na 0.24488089997227 0.20653805748219 0.24539779494381 22.990 3 Na 0.75511910002773 0.70653805748219 0.25460220505619 22.990 4 Na 0.25511910002773 0.79346194251781 0.74539779494381 22.990 5 Na 0.25511910002773 0.70653805748219 0.24539779494381 22.990 6 Na 0.75511910002773 0.79346194251781 0.75460220505619 22.990 7 Na 0.24488089997227 0.29346194251781 0.74539779494381 22.990 8 Na 0.74488089997227 0.20653805748219 0.25460220505619 22.990 9 Na 0.00122348618540 0.23450368994807 0.50538416467094 22.990 10 Na 0.50122348618540 0.26549631005193 0.49461583532906 22.990 11 Na 0.49877651381460 0.76549631005193 0.00538416467094 22.990 12 Na 0.99877651381460 0.73450368994807 0.99461583532906 22.990 13 Na 0.99877651381460 0.76549631005193 0.49461583532906 22.990 14 Na 0.49877651381460 0.73450368994807 0.50538416467094 22.990 15 Na 0.50122348618540 0.23450368994807 0.99461583532906 22.990 16 Na 0.00122348618540 0.26549631005193 0.00538416467094 22.990 17 Se 0.07213532369655 0.43007965751513 0.61485204254671 78.960 18 Se 0.99625786016928 0.27517785622692 0.25685824052510 78.960 19 Se 0.49625786016928 0.22482214377308 0.74314175947490 78.960 20 Se 0.50374213983072 0.72482214377308 0.75685824052510 78.960 21 Se 0.00374213983072 0.77517785622692 0.24314175947490 78.960 22 Se 0.00374213983072 0.72482214377308 0.74314175947490 78.960 23 Se 0.50374213983072 0.77517785622692 0.25685824052510 78.960 24 Se 0.49625786016928 0.27517785622692 0.24314175947490 78.960 25 Se 0.99625786016928 0.22482214377308 0.75685824052510 78.960 26 Se 0.75544300410746 0.20902763467526 0.00163682459692 78.960 27 Se 0.25544300410746 0.29097236532474 0.99836317540308 78.960 28 Se 0.74455699589254 0.79097236532474 0.50163682459692 78.960 29 Se 0.24455699589254 0.70902763467526 0.49836317540308 78.960 30 Se 0.24455699589254 0.79097236532474 0.99836317540308 78.960 31 Se 0.74455699589254 0.70902763467526 0.00163682459692 78.960 32 Se 0.25544300410746 0.20902763467526 0.49836317540308 78.960 33 Se 0.76165683706758 0.06781288925110 0.64368481054389 78.960 34 Se 0.26165683706758 0.43218711074890 0.35631518945611 78.960 35 Se 0.73834316293242 0.93218711074890 0.14368481054389 78.960 36 Se 0.23834316293242 0.56781288925110 0.85631518945611 78.960 37 Se 0.23834316293242 0.93218711074890 0.35631518945611 78.960 38 Se 0.73834316293242 0.56781288925110 0.64368481054389 78.960 39 Se 0.26165683706758 0.06781288925110 0.85631518945611 78.960 40 Se 0.76165683706758 0.43218711074890 0.14368481054389 78.960 41 Se 0.91100125024070 0.44422057746071 0.88125214683084 78.960 42 Se 0.41100125024070 0.05577942253929 0.11874785316916 78.960 43 Se 0.58899874975930 0.55577942253929 0.38125214683084 78.960 44 Se 0.08899874975930 0.94422057746071 0.61874785316916 78.960 45 Se 0.57213532369654 0.06992034248487 0.38514795745329 78.960 46 Se 0.58899874975930 0.94422057746071 0.88125214683084 78.960 47 Se 0.41100125024070 0.44422057746071 0.61874785316916 78.960 48 Se 0.91100125024070 0.05577942253929 0.38125214683084 78.960 49 Se 0.57213532369654 0.43007965751513 0.88514795745329 78.960 50 Se 0.07213532369655 0.06992034248487 0.11485204254671 78.960 51 Se 0.92786467630346 0.56992034248487 0.38514795745329 78.960 52 Se 0.42786467630345 0.93007965751513 0.61485204254671 78.960 53 Se 0.42786467630345 0.56992034248487 0.11485204254671 78.960 54 Se 0.92786467630346 0.93007965751513 0.88514795745329 78.960 55 Se 0.75544300410746 0.29097236532474 0.50163682459692 78.960 56 Se 0.08899874975930 0.55577942253929 0.11874785316916 78.960 57 Sn 0.55383640679417 0.05337609134560 0.71667182622831 118.710 58 Sn 0.76244612819092 0.46931068338053 0.46947951252981 118.710 59 Sn 0.26244612819092 0.03068931661947 0.53052048747019 118.710 60 Sn 0.73755387180908 0.53068931661947 0.96947951252981 118.710 61 Sn 0.23755387180908 0.96931068338053 0.03052048747019 118.710 62 Sn 0.23755387180908 0.53068931661947 0.53052048747019 118.710 63 Sn 0.73755387180908 0.96931068338053 0.46947951252981 118.710 64 Sn 0.26244612819092 0.46931068338053 0.03052048747019 118.710 65 Sn 0.76244612819092 0.03068931661947 0.96947951252981 118.710 66 Sn 0.55383640679417 0.44662390865440 0.21667182622831 118.710 67 Sn 0.05383640679417 0.05337609134560 0.78332817377169 118.710 68 Sn 0.94616359320583 0.55337609134560 0.71667182622831 118.710 69 Sn 0.44616359320583 0.94662390865440 0.28332817377169 118.710 70 Sn 0.44616359320583 0.55337609134560 0.78332817377169 118.710 71 Sn 0.94616359320583 0.94662390865440 0.21667182622831 118.710 72 Sn 0.05383640679417 0.44662390865440 0.28332817377169 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 23.240835740000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.732264830000004 0.000000000000000 c 0.000000000000000 0.000000000000000 12.414118230000000 Atomic positions (fractional): 1 Na 0.37244044998613 0.29346194251781 0.75460220505619 22.990 > 1 2 Na 0.87244044998613 0.29346194251781 0.75460220505619 22.990 > 1 3 Na 0.12244044998613 0.20653805748219 0.24539779494381 22.990 > 3 4 Na 0.62244044998613 0.20653805748219 0.24539779494381 22.990 > 3 5 Na 0.37755955001387 0.70653805748219 0.25460220505619 22.990 > 5 6 Na 0.87755955001387 0.70653805748219 0.25460220505619 22.990 > 5 7 Na 0.12755955001387 0.79346194251781 0.74539779494381 22.990 > 7 8 Na 0.62755955001387 0.79346194251781 0.74539779494381 22.990 > 7 9 Na 0.12755955001387 0.70653805748219 0.24539779494381 22.990 > 9 10 Na 0.62755955001387 0.70653805748219 0.24539779494381 22.990 > 9 11 Na 0.37755955001387 0.79346194251781 0.75460220505619 22.990 > 11 12 Na 0.87755955001387 0.79346194251781 0.75460220505619 22.990 > 11 13 Na 0.12244044998613 0.29346194251781 0.74539779494381 22.990 > 13 14 Na 0.62244044998613 0.29346194251781 0.74539779494381 22.990 > 13 15 Na 0.37244044998613 0.20653805748219 0.25460220505619 22.990 > 15 16 Na 0.87244044998613 0.20653805748219 0.25460220505619 22.990 > 15 17 Na 0.00061174309270 0.23450368994807 0.50538416467094 22.990 > 17 18 Na 0.50061174309270 0.23450368994807 0.50538416467094 22.990 > 17 19 Na 0.25061174309270 0.26549631005193 0.49461583532906 22.990 > 19 20 Na 0.75061174309270 0.26549631005193 0.49461583532906 22.990 > 19 21 Na 0.24938825690730 0.76549631005193 0.00538416467094 22.990 > 21 22 Na 0.74938825690730 0.76549631005193 0.00538416467094 22.990 > 21 23 Na 0.49938825690730 0.73450368994807 0.99461583532906 22.990 > 23 24 Na 0.99938825690730 0.73450368994807 0.99461583532906 22.990 > 23 25 Na 0.49938825690730 0.76549631005193 0.49461583532906 22.990 > 25 26 Na 0.99938825690730 0.76549631005193 0.49461583532906 22.990 > 25 27 Na 0.24938825690730 0.73450368994807 0.50538416467094 22.990 > 27 28 Na 0.74938825690730 0.73450368994807 0.50538416467094 22.990 > 27 29 Na 0.25061174309270 0.23450368994807 0.99461583532906 22.990 > 29 30 Na 0.75061174309270 0.23450368994807 0.99461583532906 22.990 > 29 31 Na 0.00061174309270 0.26549631005193 0.00538416467094 22.990 > 31 32 Na 0.50061174309270 0.26549631005193 0.00538416467094 22.990 > 31 33 Se 0.03606766184827 0.43007965751513 0.61485204254671 78.960 > 33 34 Se 0.53606766184827 0.43007965751513 0.61485204254671 78.960 > 33 35 Se 0.49812893008464 0.27517785622692 0.25685824052510 78.960 > 35 36 Se 0.99812893008464 0.27517785622692 0.25685824052510 78.960 > 35 37 Se 0.24812893008464 0.22482214377308 0.74314175947490 78.960 > 37 38 Se 0.74812893008464 0.22482214377308 0.74314175947490 78.960 > 37 39 Se 0.25187106991536 0.72482214377308 0.75685824052510 78.960 > 39 40 Se 0.75187106991536 0.72482214377308 0.75685824052510 78.960 > 39 41 Se 0.00187106991536 0.77517785622692 0.24314175947490 78.960 > 41 42 Se 0.50187106991536 0.77517785622692 0.24314175947490 78.960 > 41 43 Se 0.00187106991536 0.72482214377308 0.74314175947490 78.960 > 43 44 Se 0.50187106991536 0.72482214377308 0.74314175947490 78.960 > 43 45 Se 0.25187106991536 0.77517785622692 0.25685824052510 78.960 > 45 46 Se 0.75187106991536 0.77517785622692 0.25685824052510 78.960 > 45 47 Se 0.24812893008464 0.27517785622692 0.24314175947490 78.960 > 47 48 Se 0.74812893008464 0.27517785622692 0.24314175947490 78.960 > 47 49 Se 0.49812893008464 0.22482214377308 0.75685824052510 78.960 > 49 50 Se 0.99812893008464 0.22482214377308 0.75685824052510 78.960 > 49 51 Se 0.37772150205373 0.20902763467526 0.00163682459692 78.960 > 51 52 Se 0.87772150205373 0.20902763467526 0.00163682459692 78.960 > 51 53 Se 0.12772150205373 0.29097236532474 0.99836317540308 78.960 > 53 54 Se 0.62772150205373 0.29097236532474 0.99836317540308 78.960 > 53 55 Se 0.37227849794627 0.79097236532474 0.50163682459692 78.960 > 55 56 Se 0.87227849794627 0.79097236532474 0.50163682459692 78.960 > 55 57 Se 0.12227849794627 0.70902763467526 0.49836317540308 78.960 > 57 58 Se 0.62227849794627 0.70902763467526 0.49836317540308 78.960 > 57 59 Se 0.12227849794627 0.79097236532474 0.99836317540308 78.960 > 59 60 Se 0.62227849794627 0.79097236532474 0.99836317540308 78.960 > 59 61 Se 0.37227849794627 0.70902763467526 0.00163682459692 78.960 > 61 62 Se 0.87227849794627 0.70902763467526 0.00163682459692 78.960 > 61 63 Se 0.12772150205373 0.20902763467526 0.49836317540308 78.960 > 63 64 Se 0.62772150205373 0.20902763467526 0.49836317540308 78.960 > 63 65 Se 0.38082841853379 0.06781288925110 0.64368481054389 78.960 > 65 66 Se 0.88082841853379 0.06781288925110 0.64368481054389 78.960 > 65 67 Se 0.13082841853379 0.43218711074890 0.35631518945611 78.960 > 67 68 Se 0.63082841853379 0.43218711074890 0.35631518945611 78.960 > 67 69 Se 0.36917158146621 0.93218711074890 0.14368481054389 78.960 > 69 70 Se 0.86917158146621 0.93218711074890 0.14368481054389 78.960 > 69 71 Se 0.11917158146621 0.56781288925110 0.85631518945611 78.960 > 71 72 Se 0.61917158146621 0.56781288925110 0.85631518945611 78.960 > 71 73 Se 0.11917158146621 0.93218711074890 0.35631518945611 78.960 > 73 74 Se 0.61917158146621 0.93218711074890 0.35631518945611 78.960 > 73 75 Se 0.36917158146621 0.56781288925110 0.64368481054389 78.960 > 75 76 Se 0.86917158146621 0.56781288925110 0.64368481054389 78.960 > 75 77 Se 0.13082841853379 0.06781288925110 0.85631518945611 78.960 > 77 78 Se 0.63082841853379 0.06781288925110 0.85631518945611 78.960 > 77 79 Se 0.38082841853379 0.43218711074890 0.14368481054389 78.960 > 79 80 Se 0.88082841853379 0.43218711074890 0.14368481054389 78.960 > 79 81 Se 0.45550062512035 0.44422057746071 0.88125214683084 78.960 > 81 82 Se 0.95550062512035 0.44422057746071 0.88125214683084 78.960 > 81 83 Se 0.20550062512035 0.05577942253929 0.11874785316916 78.960 > 83 84 Se 0.70550062512035 0.05577942253929 0.11874785316916 78.960 > 83 85 Se 0.29449937487965 0.55577942253929 0.38125214683084 78.960 > 85 86 Se 0.79449937487965 0.55577942253929 0.38125214683084 78.960 > 85 87 Se 0.04449937487965 0.94422057746071 0.61874785316916 78.960 > 87 88 Se 0.54449937487965 0.94422057746071 0.61874785316916 78.960 > 87 89 Se 0.28606766184827 0.06992034248487 0.38514795745329 78.960 > 89 90 Se 0.78606766184827 0.06992034248487 0.38514795745329 78.960 > 89 91 Se 0.29449937487965 0.94422057746071 0.88125214683084 78.960 > 91 92 Se 0.79449937487965 0.94422057746071 0.88125214683084 78.960 > 91 93 Se 0.20550062512035 0.44422057746071 0.61874785316916 78.960 > 93 94 Se 0.70550062512035 0.44422057746071 0.61874785316916 78.960 > 93 95 Se 0.45550062512035 0.05577942253929 0.38125214683084 78.960 > 95 96 Se 0.95550062512035 0.05577942253929 0.38125214683084 78.960 > 95 97 Se 0.28606766184827 0.43007965751513 0.88514795745329 78.960 > 97 98 Se 0.78606766184827 0.43007965751513 0.88514795745329 78.960 > 97 99 Se 0.03606766184827 0.06992034248487 0.11485204254671 78.960 > 99 100 Se 0.53606766184827 0.06992034248487 0.11485204254671 78.960 > 99 101 Se 0.46393233815173 0.56992034248487 0.38514795745329 78.960 > 101 102 Se 0.96393233815173 0.56992034248487 0.38514795745329 78.960 > 101 103 Se 0.21393233815173 0.93007965751513 0.61485204254671 78.960 > 103 104 Se 0.71393233815173 0.93007965751513 0.61485204254671 78.960 > 103 105 Se 0.21393233815173 0.56992034248487 0.11485204254671 78.960 > 105 106 Se 0.71393233815173 0.56992034248487 0.11485204254671 78.960 > 105 107 Se 0.46393233815173 0.93007965751513 0.88514795745329 78.960 > 107 108 Se 0.96393233815173 0.93007965751513 0.88514795745329 78.960 > 107 109 Se 0.37772150205373 0.29097236532474 0.50163682459692 78.960 > 109 110 Se 0.87772150205373 0.29097236532474 0.50163682459692 78.960 > 109 111 Se 0.04449937487965 0.55577942253929 0.11874785316916 78.960 > 111 112 Se 0.54449937487965 0.55577942253929 0.11874785316916 78.960 > 111 113 Sn 0.27691820339709 0.05337609134560 0.71667182622831 118.710 > 113 114 Sn 0.77691820339708 0.05337609134560 0.71667182622831 118.710 > 113 115 Sn 0.38122306409546 0.46931068338053 0.46947951252981 118.710 > 115 116 Sn 0.88122306409546 0.46931068338053 0.46947951252981 118.710 > 115 117 Sn 0.13122306409546 0.03068931661947 0.53052048747019 118.710 > 117 118 Sn 0.63122306409546 0.03068931661947 0.53052048747019 118.710 > 117 119 Sn 0.36877693590454 0.53068931661947 0.96947951252981 118.710 > 119 120 Sn 0.86877693590454 0.53068931661947 0.96947951252981 118.710 > 119 121 Sn 0.11877693590454 0.96931068338053 0.03052048747019 118.710 > 121 122 Sn 0.61877693590454 0.96931068338053 0.03052048747019 118.710 > 121 123 Sn 0.11877693590454 0.53068931661947 0.53052048747019 118.710 > 123 124 Sn 0.61877693590454 0.53068931661947 0.53052048747019 118.710 > 123 125 Sn 0.36877693590454 0.96931068338053 0.46947951252981 118.710 > 125 126 Sn 0.86877693590454 0.96931068338053 0.46947951252981 118.710 > 125 127 Sn 0.13122306409546 0.46931068338053 0.03052048747019 118.710 > 127 128 Sn 0.63122306409546 0.46931068338053 0.03052048747019 118.710 > 127 129 Sn 0.38122306409546 0.03068931661947 0.96947951252981 118.710 > 129 130 Sn 0.88122306409546 0.03068931661947 0.96947951252981 118.710 > 129 131 Sn 0.27691820339709 0.44662390865440 0.21667182622831 118.710 > 131 132 Sn 0.77691820339708 0.44662390865440 0.21667182622831 118.710 > 131 133 Sn 0.02691820339708 0.05337609134560 0.78332817377169 118.710 > 133 134 Sn 0.52691820339708 0.05337609134560 0.78332817377169 118.710 > 133 135 Sn 0.47308179660291 0.55337609134560 0.71667182622831 118.710 > 135 136 Sn 0.97308179660292 0.55337609134560 0.71667182622831 118.710 > 135 137 Sn 0.22308179660291 0.94662390865440 0.28332817377169 118.710 > 137 138 Sn 0.72308179660292 0.94662390865440 0.28332817377169 118.710 > 137 139 Sn 0.22308179660291 0.55337609134560 0.78332817377169 118.710 > 139 140 Sn 0.72308179660292 0.55337609134560 0.78332817377169 118.710 > 139 141 Sn 0.47308179660291 0.94662390865440 0.21667182622831 118.710 > 141 142 Sn 0.97308179660292 0.94662390865440 0.21667182622831 118.710 > 141 143 Sn 0.02691820339708 0.44662390865440 0.28332817377169 118.710 > 143 144 Sn 0.52691820339708 0.44662390865440 0.28332817377169 118.710 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.5404305 0.0000000 0.0000000 0.0000000 9.1689175 0.0000000 0.0000000 0.0000000 8.1633652 -------------------------- Born effective charges -------------------------- 1 Na 1.3242615 0.0184820 -0.0146431 -0.0352738 1.4986259 -0.0816207 0.0090548 0.1115001 1.3158966 2 Na 1.3242615 -0.0184820 0.0146431 0.0352738 1.4986259 -0.0816207 -0.0090548 0.1115001 1.3158966 3 Na 1.3242615 0.0184820 0.0146431 -0.0352738 1.4986259 0.0816207 -0.0090548 -0.1115001 1.3158966 4 Na 1.3242615 -0.0184820 -0.0146431 0.0352738 1.4986259 0.0816207 0.0090548 -0.1115001 1.3158966 5 Na 1.3242615 0.0184820 -0.0146431 -0.0352738 1.4986259 -0.0816207 0.0090548 0.1115001 1.3158966 6 Na 1.3242615 -0.0184820 0.0146431 0.0352738 1.4986259 -0.0816207 -0.0090548 0.1115001 1.3158966 7 Na 1.3242615 0.0184820 0.0146431 -0.0352738 1.4986259 0.0816207 -0.0090548 -0.1115001 1.3158966 8 Na 1.3242615 -0.0184820 -0.0146431 0.0352738 1.4986259 0.0816207 0.0090548 -0.1115001 1.3158966 9 Na 1.2429602 0.1270134 0.0732061 -0.1729635 1.4480574 0.0055512 0.3889307 0.1668229 1.3191067 10 Na 1.2429602 -0.1270134 -0.0732061 0.1729635 1.4480574 0.0055512 -0.3889307 0.1668229 1.3191067 11 Na 1.2429602 0.1270134 -0.0732061 -0.1729635 1.4480574 -0.0055512 -0.3889307 -0.1668229 1.3191067 12 Na 1.2429602 -0.1270134 0.0732061 0.1729635 1.4480574 -0.0055512 0.3889307 -0.1668229 1.3191067 13 Na 1.2429602 0.1270134 0.0732061 -0.1729635 1.4480574 0.0055512 0.3889307 0.1668229 1.3191067 14 Na 1.2429602 -0.1270134 -0.0732061 0.1729635 1.4480574 0.0055512 -0.3889307 0.1668229 1.3191067 15 Na 1.2429602 0.1270134 -0.0732061 -0.1729635 1.4480574 -0.0055512 -0.3889307 -0.1668229 1.3191067 16 Na 1.2429602 -0.1270134 0.0732061 0.1729635 1.4480574 -0.0055512 0.3889307 -0.1668229 1.3191067 17 Se -2.3222934 -0.0337650 0.6622145 -0.1146471 -1.5670418 -0.6067800 0.4915262 -0.2708684 -1.4763165 18 Se -1.6227059 -0.1554995 -0.3726669 -0.2086339 -1.9860600 -0.0810821 -0.8696505 -0.2267559 -1.2979239 19 Se -1.6227059 0.1554995 0.3726669 0.2086339 -1.9860600 -0.0810821 0.8696505 -0.2267559 -1.2979239 20 Se -1.6227059 -0.1554995 0.3726669 -0.2086339 -1.9860600 0.0810821 0.8696505 0.2267559 -1.2979239 21 Se -1.6227059 0.1554995 -0.3726669 0.2086339 -1.9860600 0.0810821 -0.8696505 0.2267559 -1.2979239 22 Se -1.6227059 -0.1554995 -0.3726669 -0.2086339 -1.9860600 -0.0810821 -0.8696505 -0.2267559 -1.2979239 23 Se -1.6227059 0.1554995 0.3726669 0.2086339 -1.9860600 -0.0810821 0.8696505 -0.2267559 -1.2979239 24 Se -1.6227059 -0.1554995 0.3726669 -0.2086339 -1.9860600 0.0810821 0.8696505 0.2267559 -1.2979239 25 Se -1.6227059 0.1554995 -0.3726669 0.2086339 -1.9860600 0.0810821 -0.8696505 0.2267559 -1.2979239 26 Se -1.6563596 0.0491539 -0.1740320 0.0901460 -1.2701621 0.2106283 -0.1206681 0.4731287 -1.1691549 27 Se -1.6563596 -0.0491539 0.1740320 -0.0901460 -1.2701621 0.2106283 0.1206681 0.4731287 -1.1691549 28 Se -1.6563596 0.0491539 0.1740320 0.0901460 -1.2701621 -0.2106283 0.1206681 -0.4731287 -1.1691549 29 Se -1.6563596 -0.0491539 -0.1740320 -0.0901460 -1.2701621 -0.2106283 -0.1206681 -0.4731287 -1.1691549 30 Se -1.6563596 0.0491539 -0.1740320 0.0901460 -1.2701621 0.2106283 -0.1206681 0.4731287 -1.1691549 31 Se -1.6563596 -0.0491539 0.1740320 -0.0901460 -1.2701621 0.2106283 0.1206681 0.4731287 -1.1691549 32 Se -1.6563596 0.0491539 0.1740320 0.0901460 -1.2701621 -0.2106283 0.1206681 -0.4731287 -1.1691549 33 Se -1.6204442 0.1852115 0.5317714 0.1257455 -1.5790373 -0.4459669 1.2059478 -0.1342668 -2.4697496 34 Se -1.6204442 -0.1852115 -0.5317714 -0.1257455 -1.5790373 -0.4459669 -1.2059478 -0.1342668 -2.4697496 35 Se -1.6204442 0.1852115 -0.5317714 0.1257455 -1.5790373 0.4459669 -1.2059478 0.1342668 -2.4697496 36 Se -1.6204442 -0.1852115 0.5317714 -0.1257455 -1.5790373 0.4459669 1.2059478 0.1342668 -2.4697496 37 Se -1.6204442 0.1852115 0.5317714 0.1257455 -1.5790373 -0.4459669 1.2059478 -0.1342668 -2.4697496 38 Se -1.6204442 -0.1852115 -0.5317714 -0.1257455 -1.5790373 -0.4459669 -1.2059478 -0.1342668 -2.4697496 39 Se -1.6204442 0.1852115 -0.5317714 0.1257455 -1.5790373 0.4459669 -1.2059478 0.1342668 -2.4697496 40 Se -1.6204442 -0.1852115 0.5317714 -0.1257455 -1.5790373 0.4459669 1.2059478 0.1342668 -2.4697496 41 Se -1.9896537 0.1472366 0.7488734 0.3429718 -1.5842557 0.8271136 0.4888356 0.5681244 -2.2131295 42 Se -1.9896537 -0.1472366 -0.7488734 -0.3429718 -1.5842557 0.8271136 -0.4888356 0.5681244 -2.2131295 43 Se -1.9896537 0.1472366 -0.7488734 0.3429718 -1.5842557 -0.8271136 -0.4888356 -0.5681244 -2.2131295 44 Se -1.9896537 -0.1472366 0.7488734 -0.3429718 -1.5842557 -0.8271136 0.4888356 -0.5681244 -2.2131295 45 Se -2.3222934 0.0337650 -0.6622145 0.1146471 -1.5670418 -0.6067800 -0.4915262 -0.2708684 -1.4763165 46 Se -1.9896537 -0.1472366 -0.7488734 -0.3429718 -1.5842557 0.8271136 -0.4888356 0.5681244 -2.2131295 47 Se -1.9896537 0.1472366 -0.7488734 0.3429718 -1.5842557 -0.8271136 -0.4888356 -0.5681244 -2.2131295 48 Se -1.9896537 -0.1472366 0.7488734 -0.3429718 -1.5842557 -0.8271136 0.4888356 -0.5681244 -2.2131295 49 Se -2.3222934 -0.0337650 -0.6622145 -0.1146471 -1.5670418 0.6067800 -0.4915262 0.2708684 -1.4763165 50 Se -2.3222934 0.0337650 0.6622145 0.1146471 -1.5670418 0.6067800 0.4915262 0.2708684 -1.4763165 51 Se -2.3222934 -0.0337650 0.6622145 -0.1146471 -1.5670418 -0.6067800 0.4915262 -0.2708684 -1.4763165 52 Se -2.3222934 0.0337650 -0.6622145 0.1146471 -1.5670418 -0.6067800 -0.4915262 -0.2708684 -1.4763165 53 Se -2.3222934 -0.0337650 -0.6622145 -0.1146471 -1.5670418 0.6067800 -0.4915262 0.2708684 -1.4763165 54 Se -2.3222934 0.0337650 0.6622145 0.1146471 -1.5670418 0.6067800 0.4915262 0.2708684 -1.4763165 55 Se -1.6563596 -0.0491539 -0.1740320 -0.0901460 -1.2701621 -0.2106283 -0.1206681 -0.4731287 -1.1691549 56 Se -1.9896537 0.1472366 0.7488734 0.3429718 -1.5842557 0.8271136 0.4888356 0.5681244 -2.2131295 57 Sn 3.2432264 -0.0279117 0.5130175 -0.1640162 2.6483126 -0.0555623 -1.5330898 -0.1261090 3.0921975 58 Sn 3.4010087 0.4544836 0.4159673 -0.0743755 2.3915608 0.8967819 0.2307988 -0.1167597 2.8990736 59 Sn 3.4010087 -0.4544836 -0.4159673 0.0743755 2.3915608 0.8967819 -0.2307988 -0.1167597 2.8990736 60 Sn 3.4010087 0.4544836 -0.4159673 -0.0743755 2.3915608 -0.8967819 -0.2307988 0.1167597 2.8990736 61 Sn 3.4010087 -0.4544836 0.4159673 0.0743755 2.3915608 -0.8967819 0.2307988 0.1167597 2.8990736 62 Sn 3.4010087 0.4544836 0.4159673 -0.0743755 2.3915608 0.8967819 0.2307988 -0.1167597 2.8990736 63 Sn 3.4010087 -0.4544836 -0.4159673 0.0743755 2.3915608 0.8967819 -0.2307988 -0.1167597 2.8990736 64 Sn 3.4010087 0.4544836 -0.4159673 -0.0743755 2.3915608 -0.8967819 -0.2307988 0.1167597 2.8990736 65 Sn 3.4010087 -0.4544836 0.4159673 0.0743755 2.3915608 -0.8967819 0.2307988 0.1167597 2.8990736 66 Sn 3.2432264 0.0279117 0.5130175 0.1640162 2.6483126 0.0555623 -1.5330898 0.1261090 3.0921975 67 Sn 3.2432264 -0.0279117 -0.5130175 -0.1640162 2.6483126 0.0555623 1.5330898 0.1261090 3.0921975 68 Sn 3.2432264 0.0279117 -0.5130175 0.1640162 2.6483126 -0.0555623 1.5330898 -0.1261090 3.0921975 69 Sn 3.2432264 -0.0279117 0.5130175 -0.1640162 2.6483126 -0.0555623 -1.5330898 -0.1261090 3.0921975 70 Sn 3.2432264 0.0279117 0.5130175 0.1640162 2.6483126 0.0555623 -1.5330898 0.1261090 3.0921975 71 Sn 3.2432264 -0.0279117 -0.5130175 -0.1640162 2.6483126 0.0555623 1.5330898 0.1261090 3.0921975 72 Sn 3.2432264 0.0279117 -0.5130175 0.1640162 2.6483126 -0.0555623 1.5330898 -0.1261090 3.0921975 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 4 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.33, Number of G-points: 295, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/27) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.690 ( 0.000 0.000 0.000) 0.000 0.703 ( 0.000 0.000 0.000) 0.000 0.826 ( 0.000 0.000 0.000) 0.000 0.849 ( 0.000 0.000 0.000) 0.000 0.885 ( 0.000 0.000 0.000) 0.000 0.932 ( 0.000 0.000 0.000) 0.000 0.933 ( 0.000 0.000 0.000) 0.000 0.945 ( 0.000 0.000 0.000) 0.000 0.997 ( 0.000 0.000 0.000) 0.000 1.031 ( 0.000 0.000 0.000) 0.000 1.055 ( 0.000 0.000 0.000) 0.000 1.103 ( 0.000 0.000 0.000) 0.000 1.129 ( 0.000 0.000 0.000) 0.000 1.138 ( 0.000 0.000 0.000) 0.000 1.149 ( 0.000 0.000 0.000) 0.000 1.150 ( 0.000 0.000 0.000) 0.000 1.153 ( 0.000 0.000 0.000) 0.000 1.166 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 0.000) 0.000 1.200 ( 0.000 0.000 0.000) 0.000 1.209 ( 0.000 0.000 0.000) 0.000 1.291 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.373 ( 0.000 0.000 0.000) 0.000 1.377 ( 0.000 0.000 0.000) 0.000 1.378 ( 0.000 0.000 0.000) 0.000 1.407 ( 0.000 0.000 0.000) 0.000 1.419 ( 0.000 0.000 0.000) 0.000 1.426 ( 0.000 0.000 0.000) 0.000 1.427 ( 0.000 0.000 0.000) 0.000 1.515 ( 0.000 0.000 0.000) 0.000 1.576 ( 0.000 0.000 0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.595 ( 0.000 0.000 0.000) 0.000 1.596 ( 0.000 0.000 0.000) 0.000 1.620 ( 0.000 0.000 0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.732 ( 0.000 0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 1.787 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 1.813 ( 0.000 0.000 0.000) 0.000 1.834 ( 0.000 0.000 0.000) 0.000 1.863 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 1.977 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.040 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.159 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.266 ( 0.000 0.000 0.000) 0.000 2.292 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.467 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.535 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 2.656 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.667 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.751 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.434 ( 0.000 0.000 0.000) 0.000 3.434 ( 0.000 0.000 0.000) 0.000 3.442 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.722 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.125 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.408 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.700 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 4.977 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.163 ( 0.000 0.000 0.000) 0.000 5.170 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.232 ( 0.000 0.000 0.000) 0.000 5.251 ( 0.000 0.000 0.000) 0.000 5.254 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 5.499 ( 0.000 0.000 0.000) 0.000 5.504 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.639 ( 0.000 0.000 0.000) 0.000 5.891 ( 0.000 0.000 0.000) 0.000 5.897 ( 0.000 0.000 0.000) 0.000 5.901 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 5.917 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 6.078 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.184 ( 0.000 0.000 0.000) 0.000 6.222 ( 0.000 0.000 0.000) 0.000 6.237 ( 0.000 0.000 0.000) 0.000 6.308 ( 0.000 0.000 0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 6.341 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.356 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.557 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 6.590 ( 0.000 0.000 0.000) 0.000 6.596 ( 0.000 0.000 0.000) 0.000 6.613 ( 0.000 0.000 0.000) 0.000 6.617 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 0.000) 0.000 6.707 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.780 ( 0.000 0.000 0.000) 0.000 7.560 ( 0.000 0.000 0.000) 0.000 7.564 ( 0.000 0.000 0.000) 0.000 7.587 ( 0.000 0.000 0.000) 0.000 7.624 ( 0.000 0.000 0.000) 0.000 7.640 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 0.000) 0.000 7.679 ( 0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 7.717 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 7.766 ( 0.000 0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 7.824 ( 0.000 0.000 0.000) 0.000 7.876 ( 0.000 0.000 0.000) 0.000 7.919 ( 0.000 0.000 0.000) 0.000 8.049 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/27) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 14.631 0.000 0.000) 14.631 0.396 ( 17.581 0.000 0.000) 17.581 0.533 ( 21.562 0.000 0.000) 21.562 0.735 ( 2.850 0.000 0.000) 2.850 0.739 ( 3.006 0.000 0.000) 3.006 0.818 ( -0.326 0.000 0.000) 0.326 0.855 ( -4.966 0.000 0.000) 4.966 0.862 ( -1.388 0.000 0.000) 1.388 0.927 ( -0.044 0.000 0.000) 0.044 0.929 ( 0.272 0.000 0.000) 0.272 0.946 ( -0.718 0.000 0.000) 0.718 0.973 ( -0.995 0.000 0.000) 0.995 1.001 ( -1.787 0.000 0.000) 1.787 1.048 ( -2.525 0.000 0.000) 2.525 1.051 ( -1.003 0.000 0.000) 1.003 1.105 ( -3.591 0.000 0.000) 3.591 1.117 ( -0.969 0.000 0.000) 0.969 1.143 ( -1.158 0.000 0.000) 1.158 1.148 ( -2.011 0.000 0.000) 2.011 1.174 ( 2.168 0.000 0.000) 2.168 1.178 ( -1.011 0.000 0.000) 1.011 1.183 ( 0.598 0.000 0.000) 0.598 1.207 ( -0.401 0.000 0.000) 0.401 1.235 ( 0.464 0.000 0.000) 0.464 1.247 ( 4.548 0.000 0.000) 4.548 1.286 ( 0.349 0.000 0.000) 0.349 1.348 ( 0.414 0.000 0.000) 0.414 1.348 ( 3.530 0.000 0.000) 3.530 1.366 ( 2.503 0.000 0.000) 2.503 1.406 ( 0.981 0.000 0.000) 0.981 1.408 ( 0.694 0.000 0.000) 0.694 1.444 ( 4.853 0.000 0.000) 4.853 1.457 ( 1.015 0.000 0.000) 1.015 1.459 ( 0.685 0.000 0.000) 0.685 1.505 ( 3.743 0.000 0.000) 3.743 1.530 ( -6.376 0.000 0.000) 6.376 1.535 ( -1.382 0.000 0.000) 1.382 1.547 ( -2.712 0.000 0.000) 2.712 1.576 ( 2.558 0.000 0.000) 2.558 1.579 ( 0.126 0.000 0.000) 0.126 1.631 ( 1.070 0.000 0.000) 1.070 1.642 ( 5.145 0.000 0.000) 5.145 1.657 ( -2.615 0.000 0.000) 2.615 1.670 ( -4.353 0.000 0.000) 4.353 1.670 ( 0.061 0.000 0.000) 0.061 1.705 ( -2.270 0.000 0.000) 2.270 1.726 ( -1.037 0.000 0.000) 1.037 1.740 ( 0.938 0.000 0.000) 0.938 1.770 ( -1.659 0.000 0.000) 1.659 1.777 ( -2.332 0.000 0.000) 2.332 1.800 ( -1.228 0.000 0.000) 1.228 1.801 ( 6.828 0.000 0.000) 6.828 1.856 ( 9.407 0.000 0.000) 9.407 1.860 ( 4.573 0.000 0.000) 4.573 1.869 ( 2.796 0.000 0.000) 2.796 1.875 ( -0.023 0.000 0.000) 0.023 1.962 ( 4.020 0.000 0.000) 4.020 1.962 ( 0.130 0.000 0.000) 0.130 1.970 ( -2.415 0.000 0.000) 2.415 1.979 ( 3.740 0.000 0.000) 3.740 2.037 ( 1.155 0.000 0.000) 1.155 2.046 ( 0.201 0.000 0.000) 0.201 2.074 ( 0.535 0.000 0.000) 0.535 2.096 ( -1.998 0.000 0.000) 1.998 2.100 ( 1.766 0.000 0.000) 1.766 2.134 ( -2.042 0.000 0.000) 2.042 2.153 ( 0.780 0.000 0.000) 0.780 2.180 ( 1.067 0.000 0.000) 1.067 2.193 ( -1.397 0.000 0.000) 1.397 2.202 ( 1.132 0.000 0.000) 1.132 2.214 ( 4.223 0.000 0.000) 4.223 2.221 ( 1.152 0.000 0.000) 1.152 2.242 ( -1.561 0.000 0.000) 1.561 2.256 ( -1.619 0.000 0.000) 1.619 2.282 ( 0.871 0.000 0.000) 0.871 2.291 ( -2.154 0.000 0.000) 2.154 2.306 ( 0.268 0.000 0.000) 0.268 2.346 ( 5.079 0.000 0.000) 5.079 2.356 ( -3.657 0.000 0.000) 3.657 2.426 ( 0.270 0.000 0.000) 0.270 2.438 ( 3.291 0.000 0.000) 3.291 2.478 ( 2.727 0.000 0.000) 2.727 2.508 ( -0.197 0.000 0.000) 0.197 2.509 ( 1.365 0.000 0.000) 1.365 2.517 ( 1.735 0.000 0.000) 1.735 2.525 ( 1.368 0.000 0.000) 1.368 2.535 ( -0.117 0.000 0.000) 0.117 2.547 ( -0.433 0.000 0.000) 0.433 2.604 ( -0.048 0.000 0.000) 0.048 2.624 ( -1.356 0.000 0.000) 1.356 2.654 ( -2.869 0.000 0.000) 2.869 2.671 ( -0.909 0.000 0.000) 0.909 2.688 ( -3.152 0.000 0.000) 3.152 2.731 ( 1.380 0.000 0.000) 1.380 2.738 ( -4.633 0.000 0.000) 4.633 2.760 ( -7.210 0.000 0.000) 7.210 2.772 ( -0.838 0.000 0.000) 0.838 2.785 ( -0.583 0.000 0.000) 0.583 2.801 ( -4.069 0.000 0.000) 4.069 2.820 ( -5.214 0.000 0.000) 5.214 2.821 ( -0.453 0.000 0.000) 0.453 2.841 ( 2.385 0.000 0.000) 2.385 2.842 ( -0.636 0.000 0.000) 0.636 2.885 ( 5.062 0.000 0.000) 5.062 2.888 ( -1.071 0.000 0.000) 1.071 2.897 ( -2.384 0.000 0.000) 2.384 3.023 ( -2.264 0.000 0.000) 2.264 3.060 ( 1.221 0.000 0.000) 1.221 3.067 ( 2.743 0.000 0.000) 2.743 3.069 ( -3.352 0.000 0.000) 3.352 3.071 ( -1.582 0.000 0.000) 1.582 3.115 ( 5.199 0.000 0.000) 5.199 3.164 ( -2.261 0.000 0.000) 2.261 3.175 ( -2.283 0.000 0.000) 2.283 3.230 ( 2.063 0.000 0.000) 2.063 3.246 ( -6.574 0.000 0.000) 6.574 3.291 ( -2.812 0.000 0.000) 2.812 3.318 ( -8.604 0.000 0.000) 8.604 3.353 ( -1.776 0.000 0.000) 1.776 3.355 ( -0.190 0.000 0.000) 0.190 3.388 ( -0.223 0.000 0.000) 0.223 3.403 ( -3.952 0.000 0.000) 3.952 3.427 ( -0.596 0.000 0.000) 0.596 3.434 ( -2.364 0.000 0.000) 2.364 3.487 ( 0.833 0.000 0.000) 0.833 3.527 ( -0.144 0.000 0.000) 0.144 3.549 ( -2.964 0.000 0.000) 2.964 3.603 ( -3.154 0.000 0.000) 3.154 3.756 ( 2.579 0.000 0.000) 2.579 3.779 ( 2.770 0.000 0.000) 2.770 3.856 ( -1.509 0.000 0.000) 1.509 3.882 ( -1.378 0.000 0.000) 1.378 3.928 ( 0.551 0.000 0.000) 0.551 3.962 ( -0.542 0.000 0.000) 0.542 4.131 ( 0.790 0.000 0.000) 0.790 4.140 ( 0.747 0.000 0.000) 0.747 4.222 ( 3.586 0.000 0.000) 3.586 4.283 ( 3.297 0.000 0.000) 3.297 4.356 ( 0.004 0.000 0.000) 0.004 4.366 ( -0.491 0.000 0.000) 0.491 4.386 ( -2.140 0.000 0.000) 2.140 4.401 ( 0.718 0.000 0.000) 0.718 4.441 ( -1.254 0.000 0.000) 1.254 4.473 ( -3.259 0.000 0.000) 3.259 4.801 ( 7.374 0.000 0.000) 7.374 4.849 ( 7.972 0.000 0.000) 7.972 4.863 ( 5.598 0.000 0.000) 5.598 4.919 ( 4.510 0.000 0.000) 4.510 4.967 ( -0.884 0.000 0.000) 0.884 5.004 ( 1.904 0.000 0.000) 1.904 5.090 ( 0.173 0.000 0.000) 0.173 5.106 ( -2.705 0.000 0.000) 2.705 5.126 ( -3.256 0.000 0.000) 3.256 5.134 ( -2.203 0.000 0.000) 2.203 5.178 ( -4.681 0.000 0.000) 4.681 5.216 ( -2.600 0.000 0.000) 2.600 5.218 ( 2.120 0.000 0.000) 2.120 5.261 ( 0.448 0.000 0.000) 0.448 5.286 ( -1.081 0.000 0.000) 1.081 5.356 ( -3.353 0.000 0.000) 3.353 5.431 ( 0.648 0.000 0.000) 0.648 5.478 ( -1.499 0.000 0.000) 1.499 5.486 ( -0.350 0.000 0.000) 0.350 5.488 ( 2.111 0.000 0.000) 2.111 5.496 ( -0.879 0.000 0.000) 0.879 5.525 ( 1.049 0.000 0.000) 1.049 5.544 ( 0.356 0.000 0.000) 0.356 5.615 ( -2.148 0.000 0.000) 2.148 5.887 ( -0.245 0.000 0.000) 0.245 5.896 ( -0.435 0.000 0.000) 0.435 5.908 ( -0.035 0.000 0.000) 0.035 5.909 ( 0.417 0.000 0.000) 0.417 6.007 ( 3.200 0.000 0.000) 3.200 6.130 ( 1.627 0.000 0.000) 1.627 6.143 ( -1.351 0.000 0.000) 1.351 6.146 ( 5.772 0.000 0.000) 5.772 6.189 ( 0.271 0.000 0.000) 0.271 6.219 ( 1.280 0.000 0.000) 1.280 6.254 ( 2.861 0.000 0.000) 2.861 6.276 ( 3.373 0.000 0.000) 3.373 6.280 ( -2.145 0.000 0.000) 2.145 6.324 ( -0.755 0.000 0.000) 0.755 6.344 ( 1.720 0.000 0.000) 1.720 6.365 ( -0.775 0.000 0.000) 0.775 6.373 ( -0.350 0.000 0.000) 0.350 6.396 ( -1.870 0.000 0.000) 1.870 6.453 ( -0.055 0.000 0.000) 0.055 6.478 ( -0.732 0.000 0.000) 0.732 6.494 ( -3.791 0.000 0.000) 3.791 6.497 ( -2.164 0.000 0.000) 2.164 6.505 ( -5.280 0.000 0.000) 5.280 6.529 ( -3.306 0.000 0.000) 3.306 6.571 ( 0.851 0.000 0.000) 0.851 6.598 ( -0.721 0.000 0.000) 0.721 6.637 ( 2.796 0.000 0.000) 2.796 6.655 ( 3.254 0.000 0.000) 3.254 6.726 ( -1.091 0.000 0.000) 1.091 6.740 ( 0.925 0.000 0.000) 0.925 6.843 ( 4.022 0.000 0.000) 4.022 6.949 ( -0.846 0.000 0.000) 0.846 7.559 ( -0.016 0.000 0.000) 0.016 7.567 ( 0.288 0.000 0.000) 0.288 7.574 ( -0.834 0.000 0.000) 0.834 7.612 ( -1.916 0.000 0.000) 1.916 7.631 ( 0.635 0.000 0.000) 0.635 7.645 ( 0.520 0.000 0.000) 0.520 7.670 ( -0.767 0.000 0.000) 0.767 7.684 ( -0.849 0.000 0.000) 0.849 7.752 ( 2.719 0.000 0.000) 2.719 7.754 ( 1.189 0.000 0.000) 1.189 7.813 ( -0.995 0.000 0.000) 0.995 7.827 ( 4.517 0.000 0.000) 4.517 7.836 ( 1.398 0.000 0.000) 1.398 7.860 ( -1.510 0.000 0.000) 1.510 7.905 ( -1.182 0.000 0.000) 1.182 8.017 ( -3.004 0.000 0.000) 3.004 ======================= Grid point 2 (3/27) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -12.768 0.000 0.000) 12.768 0.619 ( 12.768 0.000 0.000) 12.768 0.721 ( -10.607 0.000 0.000) 10.607 0.721 ( 10.607 0.000 0.000) 10.607 0.791 ( -1.088 0.000 0.000) 1.088 0.791 ( 1.088 0.000 0.000) 1.088 0.826 ( -0.087 0.000 0.000) 0.087 0.826 ( 0.087 0.000 0.000) 0.087 0.924 ( -0.443 0.000 0.000) 0.443 0.924 ( 0.443 0.000 0.000) 0.443 0.947 ( -4.533 0.000 0.000) 4.533 0.947 ( 4.533 0.000 0.000) 4.533 1.029 ( -5.529 0.000 0.000) 5.529 1.029 ( 5.529 0.000 0.000) 5.529 1.051 ( -4.151 0.000 0.000) 4.151 1.051 ( 4.151 0.000 0.000) 4.151 1.087 ( -2.365 0.000 0.000) 2.365 1.087 ( 2.365 0.000 0.000) 2.365 1.103 ( -4.316 0.000 0.000) 4.316 1.103 ( 4.316 0.000 0.000) 4.316 1.200 ( -0.425 0.000 0.000) 0.425 1.200 ( 0.425 0.000 0.000) 0.425 1.224 ( -1.101 0.000 0.000) 1.101 1.224 ( 1.101 0.000 0.000) 1.101 1.314 ( -2.113 0.000 0.000) 2.113 1.314 ( 2.113 0.000 0.000) 2.113 1.362 ( -2.534 0.000 0.000) 2.534 1.362 ( 2.534 0.000 0.000) 2.534 1.419 ( -3.433 0.000 0.000) 3.433 1.419 ( 3.433 0.000 0.000) 3.433 1.429 ( -0.564 0.000 0.000) 0.564 1.429 ( 0.564 0.000 0.000) 0.564 1.480 ( -3.541 0.000 0.000) 3.541 1.480 ( 3.541 0.000 0.000) 3.541 1.521 ( -1.692 0.000 0.000) 1.692 1.521 ( 1.692 0.000 0.000) 1.692 1.545 ( -1.439 0.000 0.000) 1.439 1.545 ( 1.439 0.000 0.000) 1.439 1.561 ( -5.273 0.000 0.000) 5.273 1.561 ( 5.273 0.000 0.000) 5.273 1.640 ( -0.102 0.000 0.000) 0.102 1.640 ( 0.102 0.000 0.000) 0.102 1.679 ( -2.801 0.000 0.000) 2.801 1.679 ( 2.801 0.000 0.000) 2.801 1.709 ( -3.166 0.000 0.000) 3.166 1.709 ( 3.166 0.000 0.000) 3.166 1.712 ( -0.691 0.000 0.000) 0.691 1.712 ( 0.691 0.000 0.000) 0.691 1.740 ( -3.916 0.000 0.000) 3.916 1.740 ( 3.916 0.000 0.000) 3.916 1.804 ( -7.318 0.000 0.000) 7.318 1.804 ( 7.318 0.000 0.000) 7.318 1.925 ( -1.626 0.000 0.000) 1.626 1.925 ( 1.626 0.000 0.000) 1.626 1.944 ( -0.562 0.000 0.000) 0.562 1.944 ( 0.562 0.000 0.000) 0.562 1.991 ( -2.100 0.000 0.000) 2.100 1.991 ( 2.100 0.000 0.000) 2.100 1.997 ( -5.130 0.000 0.000) 5.130 1.997 ( 5.130 0.000 0.000) 5.130 2.036 ( -0.056 0.000 0.000) 0.056 2.036 ( 0.056 0.000 0.000) 0.056 2.116 ( -1.051 0.000 0.000) 1.051 2.116 ( 1.051 0.000 0.000) 1.051 2.119 ( -7.925 0.000 0.000) 7.925 2.119 ( 7.925 0.000 0.000) 7.925 2.153 ( -1.184 0.000 0.000) 1.184 2.153 ( 1.184 0.000 0.000) 1.184 2.177 ( -4.655 0.000 0.000) 4.655 2.177 ( 4.655 0.000 0.000) 4.655 2.210 ( -0.036 0.000 0.000) 0.036 2.210 ( 0.036 0.000 0.000) 0.036 2.258 ( -1.296 0.000 0.000) 1.296 2.258 ( 1.296 0.000 0.000) 1.296 2.277 ( -3.139 0.000 0.000) 3.139 2.277 ( 3.139 0.000 0.000) 3.139 2.307 ( -0.593 0.000 0.000) 0.593 2.307 ( 0.593 0.000 0.000) 0.593 2.467 ( -3.924 0.000 0.000) 3.924 2.467 ( 3.924 0.000 0.000) 3.924 2.496 ( -3.053 0.000 0.000) 3.053 2.496 ( 3.053 0.000 0.000) 3.053 2.517 ( -3.273 0.000 0.000) 3.273 2.517 ( 3.273 0.000 0.000) 3.273 2.525 ( -3.604 0.000 0.000) 3.604 2.525 ( 3.604 0.000 0.000) 3.604 2.568 ( -4.065 0.000 0.000) 4.065 2.568 ( 4.065 0.000 0.000) 4.065 2.612 ( -2.135 0.000 0.000) 2.135 2.612 ( 2.135 0.000 0.000) 2.135 2.625 ( -0.158 0.000 0.000) 0.158 2.625 ( 0.158 0.000 0.000) 0.158 2.648 ( -0.867 0.000 0.000) 0.867 2.648 ( 0.867 0.000 0.000) 0.867 2.674 ( -6.600 0.000 0.000) 6.600 2.674 ( 6.600 0.000 0.000) 6.600 2.718 ( -1.109 0.000 0.000) 1.109 2.718 ( 1.109 0.000 0.000) 1.109 2.787 ( -0.167 0.000 0.000) 0.167 2.787 ( 0.167 0.000 0.000) 0.167 2.836 ( -1.517 0.000 0.000) 1.517 2.836 ( 1.517 0.000 0.000) 1.517 2.856 ( -1.323 0.000 0.000) 1.323 2.856 ( 1.323 0.000 0.000) 1.323 2.933 ( -5.705 0.000 0.000) 5.705 2.933 ( 5.705 0.000 0.000) 5.705 3.051 ( -0.067 0.000 0.000) 0.067 3.051 ( 0.067 0.000 0.000) 0.067 3.053 ( -9.571 0.000 0.000) 9.571 3.053 ( 9.571 0.000 0.000) 9.571 3.108 ( -3.988 0.000 0.000) 3.988 3.108 ( 3.988 0.000 0.000) 3.988 3.150 ( -4.833 0.000 0.000) 4.833 3.150 ( 4.833 0.000 0.000) 4.833 3.166 ( -3.784 0.000 0.000) 3.784 3.166 ( 3.784 0.000 0.000) 3.784 3.271 ( -7.688 0.000 0.000) 7.688 3.271 ( 7.688 0.000 0.000) 7.688 3.314 ( -2.362 0.000 0.000) 2.362 3.314 ( 2.362 0.000 0.000) 2.362 3.372 ( -2.053 0.000 0.000) 2.053 3.372 ( 2.053 0.000 0.000) 2.053 3.407 ( -1.230 0.000 0.000) 1.230 3.407 ( 1.230 0.000 0.000) 1.230 3.520 ( -0.094 0.000 0.000) 0.094 3.520 ( 0.094 0.000 0.000) 0.094 3.530 ( -3.059 0.000 0.000) 3.059 3.530 ( 3.059 0.000 0.000) 3.059 3.813 ( -2.400 0.000 0.000) 2.400 3.813 ( 2.400 0.000 0.000) 2.400 3.841 ( -2.516 0.000 0.000) 2.516 3.841 ( 2.516 0.000 0.000) 2.516 3.945 ( -0.924 0.000 0.000) 0.924 3.945 ( 0.924 0.000 0.000) 0.924 4.144 ( -0.316 0.000 0.000) 0.316 4.144 ( 0.316 0.000 0.000) 0.316 4.315 ( -4.262 0.000 0.000) 4.262 4.315 ( 4.262 0.000 0.000) 4.262 4.358 ( -0.234 0.000 0.000) 0.234 4.358 ( 0.234 0.000 0.000) 0.234 4.380 ( -4.973 0.000 0.000) 4.973 4.380 ( 4.973 0.000 0.000) 4.973 4.416 ( -0.862 0.000 0.000) 0.862 4.416 ( 0.862 0.000 0.000) 0.862 4.929 ( -3.437 0.000 0.000) 3.437 4.929 ( 3.437 0.000 0.000) 3.437 4.993 ( -5.191 0.000 0.000) 5.191 4.993 ( 5.191 0.000 0.000) 5.191 5.031 ( -5.150 0.000 0.000) 5.150 5.031 ( 5.150 0.000 0.000) 5.150 5.035 ( -8.324 0.000 0.000) 8.324 5.035 ( 8.324 0.000 0.000) 8.324 5.079 ( -2.182 0.000 0.000) 2.182 5.079 ( 2.182 0.000 0.000) 2.182 5.132 ( -3.966 0.000 0.000) 3.966 5.132 ( 3.966 0.000 0.000) 3.966 5.270 ( -0.442 0.000 0.000) 0.442 5.270 ( 0.442 0.000 0.000) 0.442 5.279 ( -3.412 0.000 0.000) 3.412 5.279 ( 3.412 0.000 0.000) 3.412 5.448 ( -1.081 0.000 0.000) 1.081 5.448 ( 1.081 0.000 0.000) 1.081 5.485 ( -0.170 0.000 0.000) 0.170 5.485 ( 0.170 0.000 0.000) 0.170 5.542 ( -0.494 0.000 0.000) 0.494 5.542 ( 0.494 0.000 0.000) 0.494 5.552 ( -3.406 0.000 0.000) 3.406 5.552 ( 3.406 0.000 0.000) 3.406 5.887 ( -0.283 0.000 0.000) 0.283 5.887 ( 0.283 0.000 0.000) 0.283 5.910 ( -0.131 0.000 0.000) 0.131 5.910 ( 0.131 0.000 0.000) 0.131 6.087 ( -3.632 0.000 0.000) 3.632 6.087 ( 3.632 0.000 0.000) 3.632 6.175 ( -1.894 0.000 0.000) 1.894 6.175 ( 1.894 0.000 0.000) 1.894 6.242 ( -1.049 0.000 0.000) 1.049 6.242 ( 1.049 0.000 0.000) 1.049 6.277 ( -5.064 0.000 0.000) 5.064 6.277 ( 5.064 0.000 0.000) 5.064 6.332 ( -3.952 0.000 0.000) 3.952 6.332 ( 3.952 0.000 0.000) 3.952 6.346 ( -0.426 0.000 0.000) 0.426 6.346 ( 0.426 0.000 0.000) 0.426 6.384 ( -4.202 0.000 0.000) 4.202 6.384 ( 4.202 0.000 0.000) 4.202 6.397 ( -3.294 0.000 0.000) 3.294 6.397 ( 3.294 0.000 0.000) 3.294 6.467 ( -0.579 0.000 0.000) 0.579 6.467 ( 0.579 0.000 0.000) 0.579 6.487 ( -1.404 0.000 0.000) 1.404 6.487 ( 1.404 0.000 0.000) 1.404 6.586 ( -0.504 0.000 0.000) 0.504 6.586 ( 0.504 0.000 0.000) 0.504 6.691 ( -2.134 0.000 0.000) 2.134 6.691 ( 2.134 0.000 0.000) 2.134 6.722 ( -2.407 0.000 0.000) 2.407 6.722 ( 2.407 0.000 0.000) 2.407 6.915 ( -2.429 0.000 0.000) 2.429 6.915 ( 2.429 0.000 0.000) 2.429 7.561 ( -0.301 0.000 0.000) 0.301 7.561 ( 0.301 0.000 0.000) 0.301 7.580 ( -0.978 0.000 0.000) 0.978 7.580 ( 0.978 0.000 0.000) 0.978 7.650 ( -1.006 0.000 0.000) 1.006 7.650 ( 1.006 0.000 0.000) 1.006 7.662 ( -1.006 0.000 0.000) 1.006 7.662 ( 1.006 0.000 0.000) 1.006 7.785 ( -1.536 0.000 0.000) 1.536 7.785 ( 1.536 0.000 0.000) 1.536 7.813 ( -2.691 0.000 0.000) 2.691 7.813 ( 2.691 0.000 0.000) 2.691 7.872 ( -1.780 0.000 0.000) 1.780 7.872 ( 1.780 0.000 0.000) 1.780 7.931 ( -4.728 0.000 0.000) 4.728 7.931 ( 4.728 0.000 0.000) 4.728 ======================= Grid point 5 (4/27) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( 0.000 13.304 0.000) 13.304 0.257 ( 0.000 13.789 0.000) 13.789 0.448 ( 0.000 23.060 0.000) 23.060 0.645 ( 0.000 -6.556 0.000) 6.556 0.645 ( 0.000 -5.372 0.000) 5.372 0.818 ( 0.000 -0.580 0.000) 0.580 0.896 ( 0.000 -4.011 0.000) 4.011 0.896 ( 0.000 1.683 0.000) 1.683 0.899 ( 0.000 -2.718 0.000) 2.718 0.905 ( 0.000 5.288 0.000) 5.288 0.933 ( 0.000 -1.314 0.000) 1.314 0.976 ( 0.000 0.014 0.000) 0.014 1.003 ( 0.000 -6.331 0.000) 6.331 1.053 ( 0.000 -3.554 0.000) 3.554 1.056 ( 0.000 -3.593 0.000) 3.593 1.069 ( 0.000 0.612 0.000) 0.612 1.070 ( 0.000 -3.711 0.000) 3.711 1.107 ( 0.000 -5.937 0.000) 5.937 1.116 ( 0.000 -4.613 0.000) 4.613 1.160 ( 0.000 -1.769 0.000) 1.769 1.169 ( 0.000 0.344 0.000) 0.344 1.191 ( 0.000 0.032 0.000) 0.032 1.209 ( 0.000 3.010 0.000) 3.010 1.219 ( 0.000 1.589 0.000) 1.589 1.225 ( 0.000 3.705 0.000) 3.705 1.276 ( 0.000 -0.011 0.000) 0.011 1.317 ( 0.000 0.453 0.000) 0.453 1.327 ( 0.000 -0.930 0.000) 0.930 1.339 ( 0.000 -4.015 0.000) 4.015 1.344 ( 0.000 -1.056 0.000) 1.056 1.351 ( 0.000 -3.240 0.000) 3.240 1.392 ( 0.000 -2.000 0.000) 2.000 1.424 ( 0.000 -2.775 0.000) 2.775 1.472 ( 0.000 -0.863 0.000) 0.863 1.491 ( 0.000 4.942 0.000) 4.942 1.513 ( 0.000 2.634 0.000) 2.634 1.530 ( 0.000 -3.040 0.000) 3.040 1.564 ( 0.000 -2.711 0.000) 2.711 1.585 ( 0.000 0.317 0.000) 0.317 1.632 ( 0.000 -2.146 0.000) 2.146 1.647 ( 0.000 -0.511 0.000) 0.511 1.657 ( 0.000 3.193 0.000) 3.193 1.661 ( 0.000 -1.134 0.000) 1.134 1.670 ( 0.000 -0.549 0.000) 0.549 1.692 ( 0.000 2.633 0.000) 2.633 1.714 ( 0.000 -2.351 0.000) 2.351 1.732 ( 0.000 -1.619 0.000) 1.619 1.739 ( 0.000 2.539 0.000) 2.539 1.774 ( 0.000 -1.578 0.000) 1.578 1.777 ( 0.000 1.788 0.000) 1.788 1.782 ( 0.000 -1.157 0.000) 1.157 1.813 ( 0.000 2.555 0.000) 2.555 1.814 ( 0.000 0.864 0.000) 0.864 1.840 ( 0.000 -1.714 0.000) 1.714 1.846 ( 0.000 1.458 0.000) 1.458 1.880 ( 0.000 4.611 0.000) 4.611 1.910 ( 0.000 1.425 0.000) 1.425 1.938 ( 0.000 -0.610 0.000) 0.610 1.986 ( 0.000 1.426 0.000) 1.426 2.000 ( 0.000 0.011 0.000) 0.011 2.014 ( 0.000 -1.004 0.000) 1.004 2.044 ( 0.000 -1.933 0.000) 1.933 2.062 ( 0.000 2.312 0.000) 2.312 2.083 ( 0.000 1.030 0.000) 1.030 2.124 ( 0.000 -3.852 0.000) 3.852 2.137 ( 0.000 -1.260 0.000) 1.260 2.138 ( 0.000 1.036 0.000) 1.036 2.164 ( 0.000 -0.605 0.000) 0.605 2.169 ( 0.000 0.110 0.000) 0.110 2.178 ( 0.000 -1.184 0.000) 1.184 2.202 ( 0.000 -0.270 0.000) 0.270 2.217 ( 0.000 2.560 0.000) 2.560 2.237 ( 0.000 2.152 0.000) 2.152 2.267 ( 0.000 1.417 0.000) 1.417 2.289 ( 0.000 -2.622 0.000) 2.622 2.295 ( 0.000 1.539 0.000) 1.539 2.319 ( 0.000 2.304 0.000) 2.304 2.378 ( 0.000 4.180 0.000) 4.180 2.393 ( 0.000 -1.035 0.000) 1.035 2.410 ( 0.000 -0.506 0.000) 0.506 2.459 ( 0.000 -0.389 0.000) 0.389 2.474 ( 0.000 -1.259 0.000) 1.259 2.492 ( 0.000 -1.187 0.000) 1.187 2.494 ( 0.000 0.694 0.000) 0.694 2.494 ( 0.000 -2.539 0.000) 2.539 2.515 ( 0.000 2.811 0.000) 2.811 2.538 ( 0.000 1.620 0.000) 1.620 2.558 ( 0.000 0.545 0.000) 0.545 2.559 ( 0.000 -4.335 0.000) 4.335 2.628 ( 0.000 1.445 0.000) 1.445 2.640 ( 0.000 -1.398 0.000) 1.398 2.667 ( 0.000 -3.681 0.000) 3.681 2.695 ( 0.000 0.620 0.000) 0.620 2.724 ( 0.000 -2.120 0.000) 2.120 2.783 ( 0.000 2.734 0.000) 2.734 2.808 ( 0.000 0.682 0.000) 0.682 2.813 ( 0.000 -0.584 0.000) 0.584 2.820 ( 0.000 0.274 0.000) 0.274 2.824 ( 0.000 -1.725 0.000) 1.725 2.843 ( 0.000 3.149 0.000) 3.149 2.882 ( 0.000 -1.822 0.000) 1.822 2.885 ( 0.000 3.240 0.000) 3.240 2.906 ( 0.000 1.560 0.000) 1.560 2.926 ( 0.000 1.499 0.000) 1.499 2.943 ( 0.000 6.074 0.000) 6.074 2.958 ( 0.000 2.309 0.000) 2.309 3.028 ( 0.000 -1.031 0.000) 1.031 3.036 ( 0.000 -0.365 0.000) 0.365 3.050 ( 0.000 0.123 0.000) 0.123 3.052 ( 0.000 0.287 0.000) 0.287 3.106 ( 0.000 -2.510 0.000) 2.510 3.133 ( 0.000 -1.389 0.000) 1.389 3.207 ( 0.000 1.773 0.000) 1.773 3.221 ( 0.000 2.432 0.000) 2.432 3.276 ( 0.000 -1.003 0.000) 1.003 3.321 ( 0.000 -1.933 0.000) 1.933 3.326 ( 0.000 -0.551 0.000) 0.551 3.350 ( 0.000 -2.564 0.000) 2.564 3.368 ( 0.000 1.080 0.000) 1.080 3.410 ( 0.000 -2.930 0.000) 2.930 3.416 ( 0.000 -1.238 0.000) 1.238 3.420 ( 0.000 -1.804 0.000) 1.804 3.447 ( 0.000 1.220 0.000) 1.220 3.494 ( 0.000 0.795 0.000) 0.795 3.529 ( 0.000 -0.247 0.000) 0.247 3.558 ( 0.000 1.069 0.000) 1.069 3.575 ( 0.000 -0.506 0.000) 0.506 3.598 ( 0.000 -4.180 0.000) 4.180 3.732 ( 0.000 0.620 0.000) 0.620 3.734 ( 0.000 -0.611 0.000) 0.611 3.864 ( 0.000 0.615 0.000) 0.615 3.963 ( 0.000 -3.633 0.000) 3.633 4.003 ( 0.000 5.986 0.000) 5.986 4.015 ( 0.000 4.371 0.000) 4.371 4.125 ( 0.000 -0.193 0.000) 0.193 4.141 ( 0.000 1.733 0.000) 1.733 4.161 ( 0.000 -2.457 0.000) 2.457 4.232 ( 0.000 -2.195 0.000) 2.195 4.346 ( 0.000 0.916 0.000) 0.916 4.374 ( 0.000 -0.098 0.000) 0.098 4.374 ( 0.000 1.747 0.000) 1.747 4.382 ( 0.000 -0.560 0.000) 0.560 4.397 ( 0.000 -1.145 0.000) 1.145 4.442 ( 0.000 -1.445 0.000) 1.445 4.710 ( 0.000 1.005 0.000) 1.005 4.746 ( 0.000 -0.445 0.000) 0.445 4.838 ( 0.000 0.065 0.000) 0.065 4.857 ( 0.000 -0.781 0.000) 0.781 4.999 ( 0.000 1.858 0.000) 1.858 5.009 ( 0.000 3.220 0.000) 3.220 5.078 ( 0.000 -1.605 0.000) 1.605 5.135 ( 0.000 -2.370 0.000) 2.370 5.148 ( 0.000 1.165 0.000) 1.165 5.170 ( 0.000 -0.035 0.000) 0.035 5.172 ( 0.000 0.953 0.000) 0.953 5.196 ( 0.000 0.875 0.000) 0.875 5.221 ( 0.000 -1.134 0.000) 1.134 5.245 ( 0.000 -1.048 0.000) 1.048 5.281 ( 0.000 2.864 0.000) 2.864 5.383 ( 0.000 -1.691 0.000) 1.691 5.438 ( 0.000 1.719 0.000) 1.719 5.473 ( 0.000 0.584 0.000) 0.584 5.498 ( 0.000 0.050 0.000) 0.050 5.499 ( 0.000 -0.032 0.000) 0.032 5.505 ( 0.000 -0.780 0.000) 0.780 5.517 ( 0.000 -1.705 0.000) 1.705 5.523 ( 0.000 2.033 0.000) 2.033 5.619 ( 0.000 -2.066 0.000) 2.066 5.894 ( 0.000 0.225 0.000) 0.225 5.897 ( 0.000 0.031 0.000) 0.031 5.901 ( 0.000 -0.016 0.000) 0.016 5.906 ( 0.000 -0.268 0.000) 0.268 5.925 ( 0.000 0.846 0.000) 0.846 5.963 ( 0.000 -0.825 0.000) 0.825 6.078 ( 0.000 0.091 0.000) 0.091 6.104 ( 0.000 -0.998 0.000) 0.998 6.159 ( 0.000 0.482 0.000) 0.482 6.178 ( 0.000 -0.520 0.000) 0.520 6.226 ( 0.000 0.419 0.000) 0.419 6.237 ( 0.000 -0.072 0.000) 0.072 6.323 ( 0.000 1.537 0.000) 1.537 6.334 ( 0.000 0.865 0.000) 0.865 6.350 ( 0.000 0.145 0.000) 0.145 6.365 ( 0.000 2.532 0.000) 2.532 6.369 ( 0.000 -0.675 0.000) 0.675 6.374 ( 0.000 1.519 0.000) 1.519 6.420 ( 0.000 0.809 0.000) 0.809 6.440 ( 0.000 -1.267 0.000) 1.267 6.488 ( 0.000 -2.656 0.000) 2.656 6.502 ( 0.000 -1.969 0.000) 1.969 6.559 ( 0.000 0.266 0.000) 0.266 6.583 ( 0.000 -0.776 0.000) 0.776 6.589 ( 0.000 0.499 0.000) 0.499 6.607 ( 0.000 0.914 0.000) 0.914 6.626 ( 0.000 0.260 0.000) 0.260 6.629 ( 0.000 1.267 0.000) 1.267 6.632 ( 0.000 0.158 0.000) 0.158 6.688 ( 0.000 -1.796 0.000) 1.796 6.728 ( 0.000 -0.781 0.000) 0.781 6.760 ( 0.000 -1.936 0.000) 1.936 7.564 ( 0.000 0.358 0.000) 0.358 7.566 ( 0.000 0.189 0.000) 0.189 7.594 ( 0.000 0.671 0.000) 0.671 7.628 ( 0.000 -0.926 0.000) 0.926 7.628 ( 0.000 0.441 0.000) 0.441 7.645 ( 0.000 -0.149 0.000) 0.149 7.678 ( 0.000 -0.264 0.000) 0.264 7.687 ( 0.000 -0.615 0.000) 0.615 7.726 ( 0.000 0.908 0.000) 0.908 7.751 ( 0.000 1.159 0.000) 1.159 7.761 ( 0.000 -0.600 0.000) 0.600 7.807 ( 0.000 -1.288 0.000) 1.288 7.887 ( 0.000 1.090 0.000) 1.090 7.917 ( 0.000 -0.223 0.000) 0.223 8.055 ( 0.000 0.710 0.000) 0.710 8.107 ( 0.000 -1.530 0.000) 1.530 ======================= Grid point 6 (5/27) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.292 ( 10.649 4.788 0.000) 11.675 0.470 ( 14.483 7.269 0.000) 16.205 0.653 ( 2.892 -5.648 0.000) 6.345 0.688 ( 10.753 7.720 0.000) 13.237 0.714 ( 4.580 -3.010 0.000) 5.481 0.811 ( -0.445 -0.418 0.000) 0.611 0.844 ( -5.695 -0.792 0.000) 5.749 0.879 ( -3.888 0.355 0.000) 3.904 0.889 ( 0.530 -3.973 0.000) 4.008 0.896 ( -6.846 -2.755 0.000) 7.379 0.924 ( 1.928 -0.987 0.000) 2.165 0.960 ( -0.028 -4.081 0.000) 4.081 0.964 ( 0.400 2.366 0.000) 2.399 1.026 ( -3.094 -7.265 0.000) 7.896 1.027 ( -0.568 -5.630 0.000) 5.659 1.052 ( -0.721 -1.195 0.000) 1.396 1.066 ( 1.302 1.435 0.000) 1.937 1.113 ( -2.232 -5.597 0.000) 6.026 1.138 ( 0.487 0.244 0.000) 0.544 1.175 ( 0.210 -1.041 0.000) 1.062 1.192 ( -1.143 1.548 0.000) 1.924 1.192 ( -0.655 1.513 0.000) 1.649 1.217 ( 1.160 2.738 0.000) 2.974 1.236 ( 1.294 -0.697 0.000) 1.470 1.261 ( 4.875 -0.032 0.000) 4.875 1.273 ( 1.892 -1.892 0.000) 2.676 1.314 ( 1.289 -1.915 0.000) 2.309 1.327 ( 0.703 -1.527 0.000) 1.681 1.383 ( 1.593 -2.964 0.000) 3.365 1.393 ( 3.625 -3.049 0.000) 4.737 1.404 ( 2.553 4.471 0.000) 5.149 1.422 ( 0.555 -0.595 0.000) 0.813 1.424 ( 1.009 0.415 0.000) 1.091 1.463 ( -1.311 -2.882 0.000) 3.166 1.480 ( 1.674 1.256 0.000) 2.092 1.559 ( 3.685 1.210 0.000) 3.878 1.576 ( -1.023 2.568 0.000) 2.764 1.586 ( -0.231 2.166 0.000) 2.178 1.588 ( 0.358 -1.302 0.000) 1.350 1.615 ( -2.244 4.410 0.000) 4.948 1.629 ( 0.010 -1.373 0.000) 1.374 1.643 ( -0.167 -0.042 0.000) 0.172 1.660 ( -1.457 3.558 0.000) 3.845 1.664 ( 3.214 0.664 0.000) 3.282 1.677 ( -0.015 -0.401 0.000) 0.402 1.721 ( -1.347 0.001 0.000) 1.347 1.734 ( -3.201 -4.493 0.000) 5.516 1.759 ( 1.856 1.048 0.000) 2.132 1.775 ( -0.206 2.444 0.000) 2.452 1.782 ( -0.674 0.757 0.000) 1.014 1.800 ( 0.844 -0.595 0.000) 1.033 1.803 ( 5.655 0.690 0.000) 5.697 1.827 ( 2.757 -2.590 0.000) 3.782 1.846 ( -0.143 0.792 0.000) 0.805 1.877 ( 6.443 2.126 0.000) 6.784 1.890 ( 2.312 1.707 0.000) 2.874 1.958 ( 2.236 -0.316 0.000) 2.258 1.964 ( -0.457 -1.474 0.000) 1.543 1.987 ( -1.018 -0.034 0.000) 1.019 2.020 ( 0.551 -1.032 0.000) 1.170 2.025 ( 1.696 1.039 0.000) 1.989 2.038 ( -1.074 1.411 0.000) 1.773 2.065 ( 2.270 1.986 0.000) 3.016 2.084 ( 0.564 -0.930 0.000) 1.088 2.130 ( -0.670 -0.152 0.000) 0.687 2.145 ( 0.630 -4.165 0.000) 4.213 2.147 ( -1.073 0.211 0.000) 1.094 2.151 ( 0.417 0.810 0.000) 0.912 2.179 ( 0.684 -1.400 0.000) 1.558 2.191 ( 0.561 -0.982 0.000) 1.131 2.200 ( 1.235 0.174 0.000) 1.248 2.223 ( -0.868 2.069 0.000) 2.243 2.229 ( 1.195 0.763 0.000) 1.418 2.272 ( -0.041 -0.011 0.000) 0.042 2.279 ( -0.480 1.903 0.000) 1.963 2.324 ( 0.762 2.603 0.000) 2.713 2.344 ( 2.507 -0.370 0.000) 2.534 2.354 ( -2.025 3.665 0.000) 4.187 2.398 ( -2.136 1.287 0.000) 2.494 2.418 ( 2.399 -1.903 0.000) 3.062 2.459 ( 2.601 1.796 0.000) 3.160 2.475 ( 1.536 -0.649 0.000) 1.667 2.480 ( -0.221 -4.547 0.000) 4.552 2.493 ( -0.519 -2.828 0.000) 2.876 2.509 ( 1.670 0.516 0.000) 1.748 2.521 ( 0.486 1.104 0.000) 1.207 2.532 ( 1.635 0.431 0.000) 1.691 2.541 ( 0.054 0.769 0.000) 0.771 2.602 ( -0.865 -1.375 0.000) 1.624 2.634 ( 0.354 2.600 0.000) 2.624 2.653 ( 1.442 -1.503 0.000) 2.083 2.669 ( -3.116 0.740 0.000) 3.202 2.695 ( -2.074 1.055 0.000) 2.327 2.711 ( 2.003 -3.139 0.000) 3.723 2.729 ( -6.771 -0.294 0.000) 6.778 2.743 ( -1.170 1.356 0.000) 1.791 2.772 ( -2.576 -0.427 0.000) 2.611 2.787 ( -4.589 -0.669 0.000) 4.637 2.791 ( -4.630 -1.134 0.000) 4.767 2.816 ( -1.403 -0.861 0.000) 1.646 2.855 ( -4.424 3.690 0.000) 5.761 2.856 ( -3.573 2.547 0.000) 4.388 2.886 ( 1.004 1.811 0.000) 2.070 2.892 ( -1.755 0.136 0.000) 1.761 2.923 ( 4.110 3.123 0.000) 5.162 2.950 ( -4.747 3.124 0.000) 5.683 3.011 ( -2.764 -1.421 0.000) 3.108 3.029 ( -1.401 -4.232 0.000) 4.458 3.040 ( 0.329 -0.630 0.000) 0.711 3.063 ( 1.934 0.061 0.000) 1.935 3.121 ( 4.489 2.127 0.000) 4.967 3.131 ( -1.776 2.550 0.000) 3.107 3.183 ( -4.223 0.717 0.000) 4.284 3.195 ( -2.806 0.898 0.000) 2.946 3.211 ( -0.208 -1.515 0.000) 1.529 3.224 ( -2.631 -2.034 0.000) 3.326 3.272 ( -4.477 -0.670 0.000) 4.527 3.317 ( -4.190 -0.509 0.000) 4.221 3.368 ( -4.315 0.538 0.000) 4.349 3.373 ( 0.351 1.434 0.000) 1.477 3.403 ( -3.561 0.499 0.000) 3.596 3.405 ( -0.587 0.910 0.000) 1.083 3.422 ( -1.227 0.235 0.000) 1.249 3.456 ( -1.685 2.158 0.000) 2.738 3.485 ( 0.268 0.301 0.000) 0.403 3.524 ( -0.526 -0.522 0.000) 0.741 3.534 ( -2.767 -1.208 0.000) 3.019 3.573 ( -2.382 -2.750 0.000) 3.638 3.757 ( 2.280 0.052 0.000) 2.281 3.772 ( 2.886 -0.424 0.000) 2.917 3.849 ( -1.346 0.372 0.000) 1.396 3.889 ( -2.618 -0.008 0.000) 2.618 3.999 ( -0.164 5.643 0.000) 5.646 4.010 ( -0.387 4.452 0.000) 4.469 4.125 ( 0.480 -0.796 0.000) 0.929 4.141 ( -0.066 -0.639 0.000) 0.642 4.210 ( 4.110 -0.555 0.000) 4.147 4.265 ( 3.283 -1.827 0.000) 3.757 4.364 ( -1.068 -0.249 0.000) 1.096 4.372 ( -0.116 1.542 0.000) 1.546 4.379 ( -0.694 -0.714 0.000) 0.995 4.394 ( -0.077 -0.458 0.000) 0.464 4.430 ( -0.950 -1.126 0.000) 1.473 4.433 ( 0.028 -2.936 0.000) 2.936 4.805 ( 7.104 0.545 0.000) 7.125 4.839 ( 7.399 -0.919 0.000) 7.456 4.872 ( 4.617 0.718 0.000) 4.672 4.905 ( 4.044 -1.132 0.000) 4.199 4.994 ( -1.038 2.594 0.000) 2.794 5.018 ( 1.575 1.410 0.000) 2.114 5.075 ( -0.058 -1.227 0.000) 1.228 5.106 ( -2.832 -2.603 0.000) 3.847 5.118 ( -2.596 0.913 0.000) 2.752 5.133 ( -2.787 0.491 0.000) 2.830 5.184 ( -3.114 0.373 0.000) 3.136 5.208 ( -1.813 -1.138 0.000) 2.141 5.223 ( 2.113 0.623 0.000) 2.203 5.258 ( 1.025 -0.489 0.000) 1.135 5.288 ( 0.024 1.315 0.000) 1.315 5.351 ( -2.762 -0.728 0.000) 2.856 5.440 ( 0.230 1.023 0.000) 1.049 5.478 ( -1.449 0.044 0.000) 1.450 5.484 ( -0.675 -0.220 0.000) 0.710 5.485 ( -0.512 -0.762 0.000) 0.918 5.494 ( 1.604 0.414 0.000) 1.657 5.533 ( 0.665 -1.097 0.000) 1.283 5.534 ( 0.539 1.067 0.000) 1.195 5.600 ( -1.746 -1.611 0.000) 2.376 5.884 ( -0.126 -0.096 0.000) 0.159 5.895 ( -0.472 -0.047 0.000) 0.475 5.903 ( 0.064 -0.645 0.000) 0.648 5.904 ( -0.182 -0.425 0.000) 0.462 6.016 ( 4.084 1.110 0.000) 4.232 6.110 ( 3.094 -2.553 0.000) 4.011 6.145 ( 5.753 0.029 0.000) 5.753 6.153 ( -0.953 0.926 0.000) 1.329 6.184 ( 0.225 -0.573 0.000) 0.616 6.193 ( 6.905 -3.147 0.000) 7.588 6.255 ( 2.690 0.539 0.000) 2.743 6.274 ( 3.246 -0.217 0.000) 3.253 6.292 ( -2.312 1.294 0.000) 2.649 6.327 ( -1.073 0.143 0.000) 1.083 6.341 ( 1.200 -0.078 0.000) 1.203 6.367 ( -0.281 -0.650 0.000) 0.708 6.375 ( -0.862 0.974 0.000) 1.301 6.398 ( -1.857 0.394 0.000) 1.898 6.430 ( 2.519 -2.738 0.000) 3.720 6.442 ( -0.716 -1.218 0.000) 1.413 6.473 ( -0.358 -2.055 0.000) 2.086 6.479 ( -2.994 -1.627 0.000) 3.407 6.511 ( -4.583 0.805 0.000) 4.653 6.533 ( -4.040 0.179 0.000) 4.044 6.576 ( 1.085 0.682 0.000) 1.282 6.615 ( -0.825 1.739 0.000) 1.925 6.623 ( 2.935 -1.252 0.000) 3.191 6.655 ( 2.827 -0.023 0.000) 2.827 6.705 ( -0.729 -2.144 0.000) 2.264 6.713 ( 6.642 -7.721 0.000) 10.184 6.738 ( 0.748 0.022 0.000) 0.748 6.806 ( 2.357 -3.318 0.000) 4.070 7.563 ( -0.049 0.345 0.000) 0.349 7.567 ( 0.184 0.074 0.000) 0.199 7.579 ( -0.942 0.506 0.000) 1.069 7.605 ( -1.666 -0.656 0.000) 1.790 7.634 ( 0.531 0.254 0.000) 0.589 7.644 ( 0.380 -0.179 0.000) 0.420 7.669 ( -0.720 -0.171 0.000) 0.741 7.678 ( -0.774 -0.537 0.000) 0.942 7.762 ( 2.515 1.130 0.000) 2.757 7.774 ( 2.347 1.800 0.000) 2.958 7.816 ( 3.407 -1.136 0.000) 3.591 7.829 ( 2.623 -0.747 0.000) 2.727 7.868 ( -1.744 1.108 0.000) 2.066 7.902 ( -1.385 -0.367 0.000) 1.433 7.969 ( -7.392 6.042 0.000) 9.547 8.019 ( -3.437 0.149 0.000) 3.440 ======================= Grid point 7 (6/27) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -13.335 -1.647 0.000) 13.436 0.578 ( 13.335 -1.647 0.000) 13.436 0.747 ( -5.885 -6.001 0.000) 8.405 0.747 ( 5.885 -6.001 0.000) 8.405 0.749 ( -7.309 2.916 0.000) 7.869 0.749 ( 7.309 2.916 0.000) 7.869 0.814 ( -0.321 -2.260 0.000) 2.282 0.814 ( 0.321 -2.260 0.000) 2.282 0.851 ( -6.481 0.401 0.000) 6.494 0.851 ( 6.481 0.401 0.000) 6.494 0.937 ( -1.740 -5.498 0.000) 5.767 0.937 ( 1.740 -5.498 0.000) 5.767 0.989 ( -0.763 -3.013 0.000) 3.108 0.989 ( 0.763 -3.013 0.000) 3.108 1.067 ( -0.406 -2.309 0.000) 2.344 1.067 ( 0.406 -2.309 0.000) 2.344 1.099 ( -4.348 -1.999 0.000) 4.785 1.099 ( 4.348 -1.999 0.000) 4.785 1.109 ( -0.000 0.655 0.000) 0.655 1.109 ( 0.000 0.655 0.000) 0.655 1.165 ( -2.476 4.906 0.000) 5.496 1.165 ( 2.476 4.906 0.000) 5.496 1.245 ( -1.557 0.453 0.000) 1.622 1.245 ( 1.557 0.453 0.000) 1.622 1.308 ( -0.516 -3.491 0.000) 3.529 1.308 ( 0.516 -3.491 0.000) 3.529 1.369 ( -0.939 0.431 0.000) 1.034 1.369 ( 0.939 0.431 0.000) 1.034 1.390 ( -0.546 -0.283 0.000) 0.615 1.390 ( 0.546 -0.283 0.000) 0.615 1.429 ( -0.661 0.630 0.000) 0.914 1.429 ( 0.661 0.630 0.000) 0.914 1.493 ( -1.575 -1.858 0.000) 2.436 1.493 ( 1.575 -1.858 0.000) 2.436 1.519 ( -5.346 2.377 0.000) 5.851 1.519 ( 5.346 2.377 0.000) 5.851 1.557 ( -1.707 1.302 0.000) 2.147 1.557 ( 1.707 1.302 0.000) 2.147 1.588 ( -4.161 2.070 0.000) 4.647 1.588 ( 4.161 2.070 0.000) 4.647 1.638 ( -1.922 -1.782 0.000) 2.621 1.638 ( 1.922 -1.782 0.000) 2.621 1.671 ( -0.545 0.890 0.000) 1.044 1.671 ( 0.545 0.890 0.000) 1.044 1.690 ( -2.791 0.801 0.000) 2.904 1.690 ( 2.791 0.801 0.000) 2.904 1.745 ( -1.031 1.269 0.000) 1.635 1.745 ( 1.031 1.269 0.000) 1.635 1.804 ( -2.304 2.324 0.000) 3.272 1.804 ( 2.304 2.324 0.000) 3.272 1.807 ( -4.592 1.323 0.000) 4.779 1.807 ( 4.592 1.323 0.000) 4.779 1.892 ( -2.826 -0.825 0.000) 2.944 1.892 ( 2.826 -0.825 0.000) 2.944 1.966 ( -0.604 -0.603 0.000) 0.853 1.966 ( 0.604 -0.603 0.000) 0.853 1.969 ( -1.724 -1.873 0.000) 2.545 1.969 ( 1.724 -1.873 0.000) 2.545 2.010 ( -2.234 1.635 0.000) 2.769 2.010 ( 2.234 1.635 0.000) 2.769 2.016 ( -0.022 -0.936 0.000) 0.937 2.016 ( 0.022 -0.936 0.000) 0.937 2.098 ( -2.718 -0.620 0.000) 2.788 2.098 ( 2.718 -0.620 0.000) 2.788 2.123 ( -1.020 -1.346 0.000) 1.689 2.123 ( 1.020 -1.346 0.000) 1.689 2.164 ( -3.362 1.430 0.000) 3.653 2.164 ( 3.362 1.430 0.000) 3.653 2.178 ( -4.233 0.083 0.000) 4.234 2.178 ( 4.233 0.083 0.000) 4.234 2.223 ( -1.233 2.348 0.000) 2.652 2.223 ( 1.233 2.348 0.000) 2.652 2.249 ( -1.125 -0.815 0.000) 1.389 2.249 ( 1.125 -0.815 0.000) 1.389 2.290 ( -3.397 0.455 0.000) 3.427 2.290 ( 3.397 0.455 0.000) 3.427 2.346 ( -0.288 2.947 0.000) 2.962 2.346 ( 0.288 2.947 0.000) 2.962 2.460 ( -3.464 -2.896 0.000) 4.515 2.460 ( 3.464 -2.896 0.000) 4.515 2.471 ( -2.680 -0.724 0.000) 2.776 2.471 ( 2.680 -0.724 0.000) 2.776 2.505 ( -1.404 0.266 0.000) 1.429 2.505 ( 1.404 0.266 0.000) 1.429 2.521 ( -1.199 -0.172 0.000) 1.211 2.521 ( 1.199 -0.172 0.000) 1.211 2.565 ( -2.864 -0.469 0.000) 2.902 2.565 ( 2.864 -0.469 0.000) 2.902 2.621 ( -1.778 1.208 0.000) 2.150 2.621 ( 1.778 1.208 0.000) 2.150 2.634 ( -0.707 0.648 0.000) 0.959 2.634 ( 0.707 0.648 0.000) 0.959 2.667 ( -1.083 -0.488 0.000) 1.188 2.667 ( 1.083 -0.488 0.000) 1.188 2.677 ( -2.201 1.952 0.000) 2.942 2.677 ( 2.201 1.952 0.000) 2.942 2.722 ( -0.518 -0.075 0.000) 0.524 2.722 ( 0.518 -0.075 0.000) 0.524 2.759 ( -0.752 -3.126 0.000) 3.215 2.759 ( 0.752 -3.126 0.000) 3.215 2.834 ( -0.131 0.560 0.000) 0.575 2.834 ( 0.131 0.560 0.000) 0.575 2.858 ( -0.134 0.784 0.000) 0.795 2.858 ( 0.134 0.784 0.000) 0.795 2.935 ( -3.745 -0.083 0.000) 3.746 2.935 ( 3.745 -0.083 0.000) 3.746 2.993 ( -2.157 -3.475 0.000) 4.090 2.993 ( 2.157 -3.475 0.000) 4.090 3.088 ( -4.523 1.342 0.000) 4.718 3.088 ( 4.523 1.342 0.000) 4.718 3.116 ( -2.833 0.463 0.000) 2.871 3.116 ( 2.833 0.463 0.000) 2.871 3.168 ( -3.820 1.814 0.000) 4.229 3.168 ( 3.820 1.814 0.000) 4.229 3.195 ( -5.058 1.948 0.000) 5.420 3.195 ( 5.058 1.948 0.000) 5.420 3.258 ( -6.262 -0.271 0.000) 6.267 3.258 ( 6.262 -0.271 0.000) 6.267 3.306 ( -4.405 -0.988 0.000) 4.515 3.306 ( 4.405 -0.988 0.000) 4.515 3.384 ( -1.138 1.465 0.000) 1.856 3.384 ( 1.138 1.465 0.000) 1.856 3.425 ( -1.637 0.709 0.000) 1.784 3.425 ( 1.637 0.709 0.000) 1.784 3.508 ( -0.530 -1.027 0.000) 1.156 3.508 ( 0.530 -1.027 0.000) 1.156 3.519 ( -1.561 -0.737 0.000) 1.726 3.519 ( 1.561 -0.737 0.000) 1.726 3.810 ( -2.288 0.129 0.000) 2.291 3.810 ( 2.288 0.129 0.000) 2.291 3.835 ( -2.668 -0.582 0.000) 2.730 3.835 ( 2.668 -0.582 0.000) 2.730 4.001 ( -0.329 5.014 0.000) 5.025 4.001 ( 0.329 5.014 0.000) 5.025 4.136 ( -0.402 -1.186 0.000) 1.252 4.136 ( 0.402 -1.186 0.000) 1.252 4.307 ( -4.101 -0.397 0.000) 4.120 4.307 ( 4.101 -0.397 0.000) 4.120 4.349 ( -3.227 -1.843 0.000) 3.716 4.349 ( 3.227 -1.843 0.000) 3.716 4.377 ( -0.897 0.768 0.000) 1.180 4.377 ( 0.897 0.768 0.000) 1.180 4.415 ( -0.096 -0.493 0.000) 0.502 4.415 ( 0.096 -0.493 0.000) 0.502 4.934 ( -3.526 0.586 0.000) 3.574 4.934 ( 3.526 0.586 0.000) 3.574 4.983 ( -1.088 -1.439 0.000) 1.805 4.983 ( 1.088 -1.439 0.000) 1.805 5.014 ( -2.018 -0.548 0.000) 2.091 5.014 ( 2.018 -0.548 0.000) 2.091 5.026 ( -4.052 -0.559 0.000) 4.090 5.026 ( 4.052 -0.559 0.000) 4.090 5.104 ( -3.099 1.726 0.000) 3.547 5.104 ( 3.099 1.726 0.000) 3.547 5.135 ( -3.503 0.058 0.000) 3.503 5.135 ( 3.503 0.058 0.000) 3.503 5.276 ( -1.374 0.613 0.000) 1.505 5.276 ( 1.374 0.613 0.000) 1.505 5.285 ( -2.595 0.434 0.000) 2.631 5.285 ( 2.595 0.434 0.000) 2.631 5.451 ( -0.855 0.372 0.000) 0.932 5.451 ( 0.855 0.372 0.000) 0.932 5.478 ( -0.010 -0.711 0.000) 0.711 5.478 ( 0.010 -0.711 0.000) 0.711 5.540 ( -0.118 -0.162 0.000) 0.201 5.540 ( 0.118 -0.162 0.000) 0.201 5.548 ( -2.698 -0.407 0.000) 2.728 5.548 ( 2.698 -0.407 0.000) 2.728 5.885 ( -0.310 -0.059 0.000) 0.315 5.885 ( 0.310 -0.059 0.000) 0.315 5.902 ( -0.029 -0.731 0.000) 0.731 5.902 ( 0.029 -0.731 0.000) 0.731 6.104 ( -3.543 1.683 0.000) 3.923 6.104 ( 3.543 1.683 0.000) 3.923 6.166 ( -2.082 -0.935 0.000) 2.283 6.166 ( 2.082 -0.935 0.000) 2.283 6.247 ( -2.096 0.714 0.000) 2.215 6.247 ( 2.096 0.714 0.000) 2.215 6.289 ( -3.997 0.544 0.000) 4.034 6.289 ( 3.997 0.544 0.000) 4.034 6.334 ( -3.675 0.380 0.000) 3.695 6.334 ( 3.675 0.380 0.000) 3.695 6.348 ( -1.329 0.213 0.000) 1.346 6.348 ( 1.329 0.213 0.000) 1.346 6.378 ( -4.105 -0.658 0.000) 4.157 6.378 ( 4.105 -0.658 0.000) 4.157 6.387 ( -2.938 -1.153 0.000) 3.156 6.387 ( 2.938 -1.153 0.000) 3.156 6.460 ( -1.134 -0.335 0.000) 1.183 6.460 ( 1.134 -0.335 0.000) 1.183 6.482 ( -1.273 -0.637 0.000) 1.423 6.482 ( 1.273 -0.637 0.000) 1.423 6.597 ( -0.799 1.268 0.000) 1.499 6.597 ( 0.799 1.268 0.000) 1.499 6.675 ( -1.939 -1.770 0.000) 2.626 6.675 ( 1.939 -1.770 0.000) 2.626 6.720 ( -2.436 -0.111 0.000) 2.439 6.720 ( 2.436 -0.111 0.000) 2.439 6.816 ( -1.978 -7.327 0.000) 7.589 6.816 ( 1.978 -7.327 0.000) 7.589 7.565 ( -0.318 0.346 0.000) 0.470 7.565 ( 0.318 0.346 0.000) 0.470 7.577 ( -0.815 -0.236 0.000) 0.849 7.577 ( 0.815 -0.236 0.000) 0.849 7.650 ( -0.930 0.023 0.000) 0.930 7.650 ( 0.930 0.023 0.000) 0.930 7.659 ( -0.905 -0.359 0.000) 0.974 7.659 ( 0.905 -0.359 0.000) 0.974 7.817 ( -2.734 1.446 0.000) 3.093 7.817 ( 2.734 1.446 0.000) 3.093 7.846 ( -3.992 3.476 0.000) 5.294 7.846 ( 3.992 3.476 0.000) 5.294 7.866 ( -2.227 -0.376 0.000) 2.258 7.866 ( 2.227 -0.376 0.000) 2.258 7.926 ( -4.883 -0.581 0.000) 4.917 7.926 ( 4.883 -0.581 0.000) 4.917 ======================= Grid point 10 (7/27) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.000 -11.358 0.000) 11.358 0.477 ( 0.000 11.358 0.000) 11.358 0.490 ( 0.000 -11.254 0.000) 11.254 0.490 ( 0.000 11.254 0.000) 11.254 0.801 ( 0.000 -13.713 0.000) 13.713 0.801 ( 0.000 13.713 0.000) 13.713 0.829 ( 0.000 -2.333 0.000) 2.333 0.829 ( 0.000 2.333 0.000) 2.333 0.908 ( 0.000 -2.117 0.000) 2.117 0.908 ( 0.000 2.117 0.000) 2.117 0.957 ( 0.000 -4.537 0.000) 4.537 0.957 ( 0.000 4.537 0.000) 4.537 0.986 ( 0.000 -2.344 0.000) 2.344 0.986 ( 0.000 2.344 0.000) 2.344 1.012 ( 0.000 -1.699 0.000) 1.699 1.012 ( 0.000 1.699 0.000) 1.699 1.039 ( 0.000 -2.853 0.000) 2.853 1.039 ( 0.000 2.853 0.000) 2.853 1.124 ( 0.000 -2.222 0.000) 2.222 1.124 ( 0.000 2.222 0.000) 2.222 1.179 ( 0.000 -0.771 0.000) 0.771 1.179 ( 0.000 0.771 0.000) 0.771 1.251 ( 0.000 -0.786 0.000) 0.786 1.251 ( 0.000 0.786 0.000) 0.786 1.285 ( 0.000 -2.230 0.000) 2.230 1.285 ( 0.000 2.230 0.000) 2.230 1.296 ( 0.000 -3.148 0.000) 3.148 1.296 ( 0.000 3.148 0.000) 3.148 1.308 ( 0.000 -0.130 0.000) 0.130 1.308 ( 0.000 0.130 0.000) 0.130 1.354 ( 0.000 -2.217 0.000) 2.217 1.354 ( 0.000 2.217 0.000) 2.217 1.414 ( 0.000 -2.935 0.000) 2.935 1.414 ( 0.000 2.935 0.000) 2.935 1.525 ( 0.000 -3.290 0.000) 3.290 1.525 ( 0.000 3.290 0.000) 3.290 1.544 ( 0.000 -2.010 0.000) 2.010 1.544 ( 0.000 2.010 0.000) 2.010 1.569 ( 0.000 -2.216 0.000) 2.216 1.569 ( 0.000 2.216 0.000) 2.216 1.660 ( 0.000 -0.834 0.000) 0.834 1.660 ( 0.000 0.834 0.000) 0.834 1.687 ( 0.000 -2.468 0.000) 2.468 1.687 ( 0.000 2.468 0.000) 2.468 1.695 ( 0.000 -4.023 0.000) 4.023 1.695 ( 0.000 4.023 0.000) 4.023 1.733 ( 0.000 -2.922 0.000) 2.922 1.733 ( 0.000 2.922 0.000) 2.922 1.776 ( 0.000 -0.225 0.000) 0.225 1.776 ( 0.000 0.225 0.000) 0.225 1.813 ( 0.000 -0.368 0.000) 0.368 1.813 ( 0.000 0.368 0.000) 0.368 1.821 ( 0.000 -1.614 0.000) 1.614 1.821 ( 0.000 1.614 0.000) 1.614 1.893 ( 0.000 -2.849 0.000) 2.849 1.893 ( 0.000 2.849 0.000) 2.849 1.937 ( 0.000 -0.867 0.000) 0.867 1.937 ( 0.000 0.867 0.000) 0.867 1.998 ( 0.000 -0.071 0.000) 0.071 1.998 ( 0.000 0.071 0.000) 0.071 2.012 ( 0.000 -1.270 0.000) 1.270 2.012 ( 0.000 1.270 0.000) 1.270 2.088 ( 0.000 -0.410 0.000) 0.410 2.088 ( 0.000 0.410 0.000) 0.410 2.127 ( 0.000 -3.476 0.000) 3.476 2.127 ( 0.000 3.476 0.000) 3.476 2.143 ( 0.000 -1.287 0.000) 1.287 2.143 ( 0.000 1.287 0.000) 1.287 2.160 ( 0.000 -0.408 0.000) 0.408 2.160 ( 0.000 0.408 0.000) 0.408 2.226 ( 0.000 -1.800 0.000) 1.800 2.226 ( 0.000 1.800 0.000) 1.800 2.246 ( 0.000 -1.349 0.000) 1.349 2.246 ( 0.000 1.349 0.000) 1.349 2.335 ( 0.000 -2.250 0.000) 2.250 2.335 ( 0.000 2.250 0.000) 2.250 2.353 ( 0.000 -3.495 0.000) 3.495 2.353 ( 0.000 3.495 0.000) 3.495 2.401 ( 0.000 -0.748 0.000) 0.748 2.401 ( 0.000 0.748 0.000) 0.748 2.438 ( 0.000 -0.201 0.000) 0.201 2.438 ( 0.000 0.201 0.000) 0.201 2.464 ( 0.000 -1.489 0.000) 1.489 2.464 ( 0.000 1.489 0.000) 1.489 2.528 ( 0.000 -2.450 0.000) 2.450 2.528 ( 0.000 2.450 0.000) 2.450 2.560 ( 0.000 -0.135 0.000) 0.135 2.560 ( 0.000 0.135 0.000) 0.135 2.576 ( 0.000 -3.718 0.000) 3.718 2.576 ( 0.000 3.718 0.000) 3.718 2.655 ( 0.000 -0.864 0.000) 0.864 2.655 ( 0.000 0.864 0.000) 0.864 2.693 ( 0.000 -0.693 0.000) 0.693 2.693 ( 0.000 0.693 0.000) 0.693 2.807 ( 0.000 -0.281 0.000) 0.281 2.807 ( 0.000 0.281 0.000) 0.281 2.824 ( 0.000 -0.782 0.000) 0.782 2.824 ( 0.000 0.782 0.000) 0.782 2.838 ( 0.000 -2.559 0.000) 2.559 2.838 ( 0.000 2.559 0.000) 2.559 2.917 ( 0.000 -1.971 0.000) 1.971 2.917 ( 0.000 1.971 0.000) 1.971 2.923 ( 0.000 -0.975 0.000) 0.975 2.923 ( 0.000 0.975 0.000) 0.975 2.973 ( 0.000 -1.090 0.000) 1.090 2.973 ( 0.000 1.090 0.000) 1.090 3.039 ( 0.000 -2.104 0.000) 2.104 3.039 ( 0.000 2.104 0.000) 2.104 3.046 ( 0.000 -0.900 0.000) 0.900 3.046 ( 0.000 0.900 0.000) 0.900 3.098 ( 0.000 -1.663 0.000) 1.663 3.098 ( 0.000 1.663 0.000) 1.663 3.248 ( 0.000 -2.139 0.000) 2.139 3.248 ( 0.000 2.139 0.000) 2.139 3.273 ( 0.000 -3.054 0.000) 3.054 3.273 ( 0.000 3.054 0.000) 3.054 3.317 ( 0.000 -0.394 0.000) 0.394 3.317 ( 0.000 0.394 0.000) 0.394 3.385 ( 0.000 -0.942 0.000) 0.942 3.385 ( 0.000 0.942 0.000) 0.942 3.396 ( 0.000 -1.370 0.000) 1.370 3.396 ( 0.000 1.370 0.000) 1.370 3.509 ( 0.000 -4.957 0.000) 4.957 3.509 ( 0.000 4.957 0.000) 4.957 3.512 ( 0.000 -1.183 0.000) 1.183 3.512 ( 0.000 1.183 0.000) 1.183 3.572 ( 0.000 -0.282 0.000) 0.282 3.572 ( 0.000 0.282 0.000) 0.282 3.734 ( 0.000 -0.302 0.000) 0.302 3.734 ( 0.000 0.302 0.000) 0.302 3.898 ( 0.000 -2.999 0.000) 2.999 3.898 ( 0.000 2.999 0.000) 2.999 4.094 ( 0.000 -3.466 0.000) 3.466 4.094 ( 0.000 3.466 0.000) 3.466 4.098 ( 0.000 -4.297 0.000) 4.297 4.098 ( 0.000 4.297 0.000) 4.297 4.184 ( 0.000 -2.752 0.000) 2.752 4.184 ( 0.000 2.752 0.000) 2.752 4.369 ( 0.000 -1.315 0.000) 1.315 4.369 ( 0.000 1.315 0.000) 1.315 4.376 ( 0.000 -0.469 0.000) 0.469 4.376 ( 0.000 0.469 0.000) 0.469 4.410 ( 0.000 -1.989 0.000) 1.989 4.410 ( 0.000 1.989 0.000) 1.989 4.731 ( 0.000 -1.156 0.000) 1.156 4.731 ( 0.000 1.156 0.000) 1.156 4.844 ( 0.000 -0.553 0.000) 0.553 4.844 ( 0.000 0.553 0.000) 0.553 5.040 ( 0.000 -2.422 0.000) 2.422 5.040 ( 0.000 2.422 0.000) 2.422 5.077 ( 0.000 -3.794 0.000) 3.794 5.077 ( 0.000 3.794 0.000) 3.794 5.165 ( 0.000 -0.583 0.000) 0.583 5.165 ( 0.000 0.583 0.000) 0.583 5.195 ( 0.000 -1.466 0.000) 1.466 5.195 ( 0.000 1.466 0.000) 1.466 5.219 ( 0.000 -1.568 0.000) 1.568 5.219 ( 0.000 1.568 0.000) 1.568 5.338 ( 0.000 -3.094 0.000) 3.094 5.338 ( 0.000 3.094 0.000) 3.094 5.478 ( 0.000 -2.419 0.000) 2.419 5.478 ( 0.000 2.419 0.000) 2.419 5.488 ( 0.000 -0.997 0.000) 0.997 5.488 ( 0.000 0.997 0.000) 0.997 5.499 ( 0.000 -0.010 0.000) 0.010 5.499 ( 0.000 0.010 0.000) 0.010 5.571 ( 0.000 -2.923 0.000) 2.923 5.571 ( 0.000 2.923 0.000) 2.923 5.897 ( 0.000 -0.107 0.000) 0.107 5.897 ( 0.000 0.107 0.000) 0.107 5.902 ( 0.000 -0.162 0.000) 0.162 5.902 ( 0.000 0.162 0.000) 0.162 5.944 ( 0.000 -1.149 0.000) 1.149 5.944 ( 0.000 1.149 0.000) 1.149 6.086 ( 0.000 -0.782 0.000) 0.782 6.086 ( 0.000 0.782 0.000) 0.782 6.168 ( 0.000 -0.518 0.000) 0.518 6.168 ( 0.000 0.518 0.000) 0.518 6.234 ( 0.000 -0.336 0.000) 0.336 6.234 ( 0.000 0.336 0.000) 0.336 6.347 ( 0.000 -0.644 0.000) 0.644 6.347 ( 0.000 0.644 0.000) 0.644 6.352 ( 0.000 -1.045 0.000) 1.045 6.352 ( 0.000 1.045 0.000) 1.045 6.405 ( 0.000 -2.125 0.000) 2.125 6.405 ( 0.000 2.125 0.000) 2.125 6.426 ( 0.000 -3.771 0.000) 3.771 6.426 ( 0.000 3.771 0.000) 3.771 6.456 ( 0.000 -2.756 0.000) 2.756 6.456 ( 0.000 2.756 0.000) 2.756 6.568 ( 0.000 -0.709 0.000) 0.709 6.568 ( 0.000 0.709 0.000) 0.709 6.608 ( 0.000 -1.093 0.000) 1.093 6.608 ( 0.000 1.093 0.000) 1.093 6.631 ( 0.000 -0.217 0.000) 0.217 6.631 ( 0.000 0.217 0.000) 0.217 6.656 ( 0.000 -1.556 0.000) 1.556 6.656 ( 0.000 1.556 0.000) 1.556 6.727 ( 0.000 -1.111 0.000) 1.111 6.727 ( 0.000 1.111 0.000) 1.111 7.568 ( 0.000 -0.034 0.000) 0.034 7.568 ( 0.000 0.034 0.000) 0.034 7.610 ( 0.000 -1.025 0.000) 1.025 7.610 ( 0.000 1.025 0.000) 1.025 7.638 ( 0.000 -0.538 0.000) 0.538 7.638 ( 0.000 0.538 0.000) 0.538 7.677 ( 0.000 -0.321 0.000) 0.321 7.677 ( 0.000 0.321 0.000) 0.321 7.745 ( 0.000 -1.061 0.000) 1.061 7.745 ( 0.000 1.061 0.000) 1.061 7.778 ( 0.000 -1.695 0.000) 1.695 7.778 ( 0.000 1.695 0.000) 1.695 7.907 ( 0.000 -0.894 0.000) 0.894 7.907 ( 0.000 0.894 0.000) 0.894 8.076 ( 0.000 -1.590 0.000) 1.590 8.076 ( 0.000 1.590 0.000) 1.590 ======================= Grid point 12 (8/27) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 2.571 -11.670 0.000) 11.950 0.474 ( 2.571 11.670 0.000) 11.950 0.617 ( 9.469 -7.578 0.000) 12.129 0.617 ( 9.469 7.578 0.000) 12.129 0.822 ( -0.313 -1.838 0.000) 1.865 0.822 ( -0.313 1.838 0.000) 1.865 0.826 ( -0.247 -6.321 0.000) 6.325 0.826 ( -0.247 6.321 0.000) 6.325 0.860 ( -7.756 -1.920 0.000) 7.990 0.860 ( -7.756 1.920 0.000) 7.990 0.903 ( -0.824 -1.076 0.000) 1.355 0.903 ( -0.824 1.076 0.000) 1.355 0.975 ( -3.086 -3.783 0.000) 4.882 0.975 ( -3.086 3.783 0.000) 4.882 1.000 ( 3.104 -1.611 0.000) 3.497 1.000 ( 3.104 1.611 0.000) 3.497 1.087 ( 0.138 -5.399 0.000) 5.400 1.087 ( 0.138 5.399 0.000) 5.400 1.135 ( 0.060 -2.784 0.000) 2.784 1.135 ( 0.060 2.784 0.000) 2.784 1.209 ( 2.368 -1.407 0.000) 2.755 1.209 ( 2.368 1.407 0.000) 2.755 1.227 ( 0.964 -1.840 0.000) 2.077 1.227 ( 0.964 1.840 0.000) 2.077 1.280 ( 2.334 -2.260 0.000) 3.249 1.280 ( 2.334 2.260 0.000) 3.249 1.288 ( 0.262 -4.063 0.000) 4.072 1.288 ( 0.262 4.063 0.000) 4.072 1.349 ( 1.584 -0.737 0.000) 1.747 1.349 ( 1.584 0.737 0.000) 1.747 1.423 ( 0.845 -0.637 0.000) 1.058 1.423 ( 0.845 0.637 0.000) 1.058 1.468 ( 3.260 -2.189 0.000) 3.927 1.468 ( 3.260 2.189 0.000) 3.927 1.503 ( 1.839 -5.564 0.000) 5.860 1.503 ( 1.839 5.564 0.000) 5.860 1.595 ( 2.027 -2.128 0.000) 2.939 1.595 ( 2.027 2.128 0.000) 2.939 1.621 ( 0.144 -0.994 0.000) 1.005 1.621 ( 0.144 0.994 0.000) 1.005 1.647 ( -0.904 -1.838 0.000) 2.048 1.647 ( -0.904 1.838 0.000) 2.048 1.670 ( -2.143 -1.936 0.000) 2.888 1.670 ( -2.143 1.936 0.000) 2.888 1.690 ( 3.065 -2.276 0.000) 3.818 1.690 ( 3.065 2.276 0.000) 3.818 1.748 ( -1.472 -4.088 0.000) 4.345 1.748 ( -1.472 4.088 0.000) 4.345 1.773 ( 2.747 -1.371 0.000) 3.070 1.773 ( 2.747 1.371 0.000) 3.070 1.811 ( 1.717 -0.172 0.000) 1.725 1.811 ( 1.717 0.172 0.000) 1.725 1.830 ( 1.083 -2.571 0.000) 2.790 1.830 ( 1.083 2.571 0.000) 2.790 1.929 ( -0.318 -2.499 0.000) 2.519 1.929 ( -0.318 2.499 0.000) 2.519 1.932 ( 3.132 -2.814 0.000) 4.210 1.932 ( 3.132 2.814 0.000) 4.210 1.998 ( -0.809 -1.445 0.000) 1.656 1.998 ( -0.809 1.445 0.000) 1.656 2.039 ( 1.711 -1.753 0.000) 2.450 2.039 ( 1.711 1.753 0.000) 2.450 2.079 ( -0.071 -2.571 0.000) 2.572 2.079 ( -0.071 2.571 0.000) 2.572 2.129 ( 0.409 -1.336 0.000) 1.397 2.129 ( 0.409 1.336 0.000) 1.397 2.159 ( 0.888 -3.094 0.000) 3.219 2.159 ( 0.888 3.094 0.000) 3.219 2.162 ( -0.173 -1.322 0.000) 1.334 2.162 ( -0.173 1.322 0.000) 1.334 2.225 ( -0.347 -1.352 0.000) 1.396 2.225 ( -0.347 1.352 0.000) 1.396 2.248 ( 0.443 -2.009 0.000) 2.057 2.248 ( 0.443 2.009 0.000) 2.057 2.337 ( -0.339 -2.413 0.000) 2.437 2.337 ( -0.339 2.413 0.000) 2.437 2.364 ( 1.393 -2.723 0.000) 3.059 2.364 ( 1.393 2.723 0.000) 3.059 2.422 ( -0.383 -3.842 0.000) 3.861 2.422 ( -0.383 3.842 0.000) 3.861 2.426 ( 0.294 -1.815 0.000) 1.839 2.426 ( 0.294 1.815 0.000) 1.839 2.463 ( 2.529 -0.420 0.000) 2.564 2.463 ( 2.529 0.420 0.000) 2.564 2.532 ( 0.309 -1.349 0.000) 1.384 2.532 ( 0.309 1.349 0.000) 1.384 2.550 ( -1.008 -0.992 0.000) 1.414 2.550 ( -1.008 0.992 0.000) 1.414 2.599 ( 2.072 -2.428 0.000) 3.193 2.599 ( 2.072 2.428 0.000) 3.193 2.681 ( 1.104 -1.668 0.000) 2.000 2.681 ( 1.104 1.668 0.000) 2.000 2.683 ( -0.893 -1.172 0.000) 1.473 2.683 ( -0.893 1.172 0.000) 1.473 2.745 ( -7.672 -2.040 0.000) 7.939 2.745 ( -7.672 2.040 0.000) 7.939 2.786 ( -1.883 -2.491 0.000) 3.122 2.786 ( -1.883 2.491 0.000) 3.122 2.792 ( -3.098 -1.409 0.000) 3.403 2.792 ( -3.098 1.409 0.000) 3.403 2.887 ( -2.750 -0.749 0.000) 2.850 2.887 ( -2.750 0.749 0.000) 2.850 2.895 ( -2.249 -1.486 0.000) 2.695 2.895 ( -2.249 1.486 0.000) 2.695 2.964 ( -2.038 -1.277 0.000) 2.405 2.964 ( -2.038 1.277 0.000) 2.405 2.985 ( -2.252 -0.747 0.000) 2.373 2.985 ( -2.252 0.747 0.000) 2.373 3.052 ( 1.920 -1.302 0.000) 2.320 3.052 ( 1.920 1.302 0.000) 2.320 3.168 ( -2.655 -1.826 0.000) 3.222 3.168 ( -2.655 1.826 0.000) 3.222 3.172 ( 3.713 -2.923 0.000) 4.726 3.172 ( 3.713 2.923 0.000) 4.726 3.200 ( -4.621 -0.268 0.000) 4.629 3.200 ( -4.621 0.268 0.000) 4.629 3.289 ( -2.795 -2.049 0.000) 3.466 3.289 ( -2.795 2.049 0.000) 3.466 3.382 ( -2.486 -1.184 0.000) 2.754 3.382 ( -2.486 1.184 0.000) 2.754 3.401 ( 0.279 -1.285 0.000) 1.315 3.401 ( 0.279 1.285 0.000) 1.315 3.464 ( -3.693 -2.369 0.000) 4.388 3.464 ( -3.693 2.369 0.000) 4.388 3.504 ( -0.601 -1.449 0.000) 1.569 3.504 ( -0.601 1.449 0.000) 1.569 3.530 ( -1.647 -1.603 0.000) 2.299 3.530 ( -1.647 1.603 0.000) 2.299 3.763 ( 2.478 -0.584 0.000) 2.545 3.763 ( 2.478 0.584 0.000) 2.545 3.870 ( -2.050 -1.595 0.000) 2.597 3.870 ( -2.050 1.595 0.000) 2.597 4.088 ( -0.168 -3.578 0.000) 3.582 4.088 ( -0.168 3.578 0.000) 3.582 4.094 ( -0.251 -4.176 0.000) 4.183 4.094 ( -0.251 4.176 0.000) 4.183 4.226 ( 3.718 -1.987 0.000) 4.216 4.226 ( 3.718 1.987 0.000) 4.216 4.364 ( -0.965 -0.537 0.000) 1.104 4.364 ( -0.965 0.537 0.000) 1.104 4.398 ( 0.720 -0.962 0.000) 1.201 4.398 ( 0.720 0.962 0.000) 1.201 4.403 ( -0.508 -1.687 0.000) 1.762 4.403 ( -0.508 1.687 0.000) 1.762 4.820 ( 6.873 -1.039 0.000) 6.951 4.820 ( 6.873 1.039 0.000) 6.951 4.886 ( 4.061 -0.888 0.000) 4.157 4.886 ( 4.061 0.888 0.000) 4.157 5.048 ( 0.666 -1.722 0.000) 1.846 5.048 ( 0.666 1.722 0.000) 1.846 5.050 ( -2.292 -3.270 0.000) 3.994 5.050 ( -2.292 3.270 0.000) 3.994 5.133 ( -2.626 -0.538 0.000) 2.680 5.133 ( -2.626 0.538 0.000) 2.680 5.191 ( -1.592 -0.546 0.000) 1.683 5.191 ( -1.592 0.546 0.000) 1.683 5.242 ( 1.853 -1.209 0.000) 2.213 5.242 ( 1.853 1.209 0.000) 2.213 5.325 ( -1.294 -2.080 0.000) 2.450 5.325 ( -1.294 2.080 0.000) 2.450 5.464 ( -0.490 -1.405 0.000) 1.488 5.464 ( -0.490 1.405 0.000) 1.488 5.480 ( -1.197 -0.214 0.000) 1.216 5.480 ( -1.197 0.214 0.000) 1.216 5.510 ( 1.357 -1.227 0.000) 1.830 5.510 ( 1.357 1.227 0.000) 1.830 5.564 ( -0.698 -2.050 0.000) 2.166 5.564 ( -0.698 2.050 0.000) 2.166 5.889 ( -0.170 -0.676 0.000) 0.697 5.889 ( -0.170 0.676 0.000) 0.697 5.897 ( -0.414 -0.278 0.000) 0.499 5.897 ( -0.414 0.278 0.000) 0.499 6.051 ( 5.609 -2.859 0.000) 6.295 6.051 ( 5.609 2.859 0.000) 6.295 6.153 ( 6.470 -1.051 0.000) 6.555 6.153 ( 6.470 1.051 0.000) 6.555 6.170 ( -0.177 -0.871 0.000) 0.889 6.170 ( -0.177 0.871 0.000) 0.889 6.268 ( 2.962 -0.576 0.000) 3.018 6.268 ( 2.962 0.576 0.000) 3.018 6.319 ( -1.996 -1.215 0.000) 2.337 6.319 ( -1.996 1.215 0.000) 2.337 6.351 ( -0.026 -0.948 0.000) 0.949 6.351 ( -0.026 0.948 0.000) 0.949 6.394 ( -1.249 -1.190 0.000) 1.725 6.394 ( -1.249 1.190 0.000) 1.725 6.432 ( 0.818 -1.974 0.000) 2.137 6.432 ( 0.818 1.974 0.000) 2.137 6.443 ( -1.934 -1.870 0.000) 2.690 6.443 ( -1.934 1.870 0.000) 2.690 6.528 ( -4.318 -0.765 0.000) 4.385 6.528 ( -4.318 0.765 0.000) 4.385 6.597 ( 1.979 -1.458 0.000) 2.458 6.597 ( 1.979 1.458 0.000) 2.458 6.657 ( -0.785 -2.784 0.000) 2.893 6.657 ( -0.785 2.784 0.000) 2.893 6.658 ( 2.748 -0.689 0.000) 2.833 6.658 ( 2.748 0.689 0.000) 2.833 6.754 ( 0.903 -1.939 0.000) 2.139 6.754 ( 0.903 1.939 0.000) 2.139 7.568 ( 0.005 -0.115 0.000) 0.116 7.568 ( 0.005 0.115 0.000) 0.116 7.591 ( -1.241 -0.780 0.000) 1.466 7.591 ( -1.241 0.780 0.000) 1.466 7.639 ( 0.339 -0.319 0.000) 0.466 7.639 ( 0.339 0.319 0.000) 0.466 7.669 ( -0.668 -0.285 0.000) 0.727 7.669 ( -0.668 0.285 0.000) 0.727 7.788 ( 2.674 -1.492 0.000) 3.062 7.788 ( 2.674 1.492 0.000) 3.062 7.808 ( 3.230 -1.427 0.000) 3.531 7.808 ( 3.230 1.427 0.000) 3.531 7.889 ( -1.628 -1.006 0.000) 1.914 7.889 ( -1.628 1.006 0.000) 1.914 8.017 ( -4.734 -0.685 0.000) 4.784 8.017 ( -4.734 0.685 0.000) 4.784 ======================= Grid point 14 (9/27) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -9.576 -5.962 0.000) 11.280 0.621 ( 9.576 -5.962 0.000) 11.280 0.621 ( -9.576 5.962 0.000) 11.280 0.621 ( 9.576 5.962 0.000) 11.280 0.803 ( -2.137 -2.369 0.000) 3.190 0.803 ( 2.137 -2.369 0.000) 3.190 0.803 ( -2.137 2.369 0.000) 3.190 0.803 ( 2.137 2.369 0.000) 3.190 0.864 ( -3.329 -2.176 0.000) 3.977 0.864 ( 3.329 -2.176 0.000) 3.977 0.864 ( -3.329 2.176 0.000) 3.977 0.864 ( 3.329 2.176 0.000) 3.977 0.960 ( -3.881 -3.349 0.000) 5.126 0.960 ( 3.881 -3.349 0.000) 5.126 0.960 ( -3.881 3.349 0.000) 5.126 0.960 ( 3.881 3.349 0.000) 5.126 1.119 ( -2.503 -0.496 0.000) 2.552 1.119 ( -2.503 0.496 0.000) 2.552 1.119 ( 2.503 -0.496 0.000) 2.552 1.119 ( 2.503 0.496 0.000) 2.552 1.245 ( -0.027 -2.249 0.000) 2.249 1.245 ( 0.027 -2.249 0.000) 2.249 1.245 ( -0.027 2.249 0.000) 2.249 1.245 ( 0.027 2.249 0.000) 2.249 1.290 ( -1.252 -4.166 0.000) 4.350 1.290 ( 1.252 -4.166 0.000) 4.350 1.290 ( -1.252 4.166 0.000) 4.350 1.290 ( 1.252 4.166 0.000) 4.350 1.432 ( -1.227 -1.369 0.000) 1.838 1.432 ( 1.227 -1.369 0.000) 1.838 1.432 ( -1.227 1.369 0.000) 1.838 1.432 ( 1.227 1.369 0.000) 1.838 1.501 ( -4.389 -2.780 0.000) 5.195 1.501 ( 4.389 -2.780 0.000) 5.195 1.501 ( -4.389 2.780 0.000) 5.195 1.501 ( 4.389 2.780 0.000) 5.195 1.602 ( -0.320 -2.161 0.000) 2.185 1.602 ( 0.320 -2.161 0.000) 2.185 1.602 ( -0.320 2.161 0.000) 2.185 1.602 ( 0.320 2.161 0.000) 2.185 1.639 ( -0.585 -2.942 0.000) 3.000 1.639 ( 0.585 -2.942 0.000) 3.000 1.639 ( -0.585 2.942 0.000) 3.000 1.639 ( 0.585 2.942 0.000) 3.000 1.734 ( -0.083 -2.237 0.000) 2.238 1.734 ( 0.083 -2.237 0.000) 2.238 1.734 ( -0.083 2.237 0.000) 2.238 1.734 ( 0.083 2.237 0.000) 2.238 1.824 ( -2.305 -0.733 0.000) 2.419 1.824 ( -2.305 0.733 0.000) 2.419 1.824 ( 2.305 -0.733 0.000) 2.419 1.824 ( 2.305 0.733 0.000) 2.419 1.912 ( -3.848 -2.582 0.000) 4.634 1.912 ( 3.848 -2.582 0.000) 4.634 1.912 ( -3.848 2.582 0.000) 4.634 1.912 ( 3.848 2.582 0.000) 4.634 1.978 ( -0.296 -1.638 0.000) 1.665 1.978 ( 0.296 -1.638 0.000) 1.665 1.978 ( -0.296 1.638 0.000) 1.665 1.978 ( 0.296 1.638 0.000) 1.665 2.073 ( -1.811 -3.158 0.000) 3.641 2.073 ( 1.811 -3.158 0.000) 3.641 2.073 ( -1.811 3.158 0.000) 3.641 2.073 ( 1.811 3.158 0.000) 3.641 2.135 ( -0.889 -2.600 0.000) 2.748 2.135 ( 0.889 -2.600 0.000) 2.748 2.135 ( -0.889 2.600 0.000) 2.748 2.135 ( 0.889 2.600 0.000) 2.748 2.210 ( -2.726 -2.195 0.000) 3.500 2.210 ( 2.726 -2.195 0.000) 3.500 2.210 ( -2.726 2.195 0.000) 3.500 2.210 ( 2.726 2.195 0.000) 3.500 2.280 ( -3.019 -1.861 0.000) 3.547 2.280 ( 3.019 -1.861 0.000) 3.547 2.280 ( -3.019 1.861 0.000) 3.547 2.280 ( 3.019 1.861 0.000) 3.547 2.399 ( -1.012 -2.955 0.000) 3.123 2.399 ( 1.012 -2.955 0.000) 3.123 2.399 ( -1.012 2.955 0.000) 3.123 2.399 ( 1.012 2.955 0.000) 3.123 2.488 ( -5.022 -1.844 0.000) 5.350 2.488 ( -5.022 1.844 0.000) 5.350 2.488 ( 5.022 -1.844 0.000) 5.350 2.488 ( 5.022 1.844 0.000) 5.350 2.539 ( -0.139 -1.496 0.000) 1.502 2.539 ( 0.139 -1.496 0.000) 1.502 2.539 ( -0.139 1.496 0.000) 1.502 2.539 ( 0.139 1.496 0.000) 1.502 2.641 ( -0.833 -0.807 0.000) 1.160 2.641 ( 0.833 -0.807 0.000) 1.160 2.641 ( -0.833 0.807 0.000) 1.160 2.641 ( 0.833 0.807 0.000) 1.160 2.682 ( -1.196 -3.055 0.000) 3.281 2.682 ( 1.196 -3.055 0.000) 3.281 2.682 ( -1.196 3.055 0.000) 3.281 2.682 ( 1.196 3.055 0.000) 3.281 2.717 ( -1.122 -2.139 0.000) 2.416 2.717 ( 1.122 -2.139 0.000) 2.416 2.717 ( -1.122 2.139 0.000) 2.416 2.717 ( 1.122 2.139 0.000) 2.416 2.857 ( -0.238 -1.458 0.000) 1.477 2.857 ( 0.238 -1.458 0.000) 1.477 2.857 ( -0.238 1.458 0.000) 1.477 2.857 ( 0.238 1.458 0.000) 1.477 2.944 ( -1.269 -1.575 0.000) 2.023 2.944 ( 1.269 -1.575 0.000) 2.023 2.944 ( -1.269 1.575 0.000) 2.023 2.944 ( 1.269 1.575 0.000) 2.023 3.109 ( -2.894 -1.039 0.000) 3.075 3.109 ( -2.894 1.039 0.000) 3.075 3.109 ( 2.894 -1.039 0.000) 3.075 3.109 ( 2.894 1.039 0.000) 3.075 3.203 ( -4.344 -1.311 0.000) 4.538 3.203 ( -4.344 1.311 0.000) 4.538 3.203 ( 4.344 -1.311 0.000) 4.538 3.203 ( 4.344 1.311 0.000) 4.538 3.278 ( -5.391 -1.706 0.000) 5.654 3.278 ( -5.391 1.706 0.000) 5.654 3.278 ( 5.391 -1.706 0.000) 5.654 3.278 ( 5.391 1.706 0.000) 5.654 3.414 ( -1.289 -1.542 0.000) 2.010 3.414 ( 1.289 -1.542 0.000) 2.010 3.414 ( -1.289 1.542 0.000) 2.010 3.414 ( 1.289 1.542 0.000) 2.010 3.505 ( -0.730 -0.692 0.000) 1.006 3.505 ( 0.730 -0.692 0.000) 1.006 3.505 ( -0.730 0.692 0.000) 1.006 3.505 ( 0.730 0.692 0.000) 1.006 3.821 ( -2.563 -0.893 0.000) 2.714 3.821 ( -2.563 0.893 0.000) 2.714 3.821 ( 2.563 -0.893 0.000) 2.714 3.821 ( 2.563 0.893 0.000) 2.714 4.090 ( -0.177 -4.012 0.000) 4.016 4.090 ( 0.177 -4.012 0.000) 4.016 4.090 ( -0.177 4.012 0.000) 4.016 4.090 ( 0.177 4.012 0.000) 4.016 4.315 ( -3.672 -1.370 0.000) 3.919 4.315 ( -3.672 1.370 0.000) 3.919 4.315 ( 3.672 -1.370 0.000) 3.919 4.315 ( 3.672 1.370 0.000) 3.919 4.397 ( -0.105 -1.245 0.000) 1.250 4.397 ( 0.105 -1.245 0.000) 1.250 4.397 ( -0.105 1.245 0.000) 1.250 4.397 ( 0.105 1.245 0.000) 1.250 4.952 ( -3.155 -1.513 0.000) 3.499 4.952 ( -3.155 1.513 0.000) 3.499 4.952 ( 3.155 -1.513 0.000) 3.499 4.952 ( 3.155 1.513 0.000) 3.499 5.016 ( -2.973 -0.451 0.000) 3.008 5.016 ( -2.973 0.451 0.000) 3.008 5.016 ( 2.973 -0.451 0.000) 3.008 5.016 ( 2.973 0.451 0.000) 3.008 5.128 ( -3.025 -0.833 0.000) 3.138 5.128 ( -3.025 0.833 0.000) 3.138 5.128 ( 3.025 -0.833 0.000) 3.138 5.128 ( 3.025 0.833 0.000) 3.138 5.287 ( -2.090 -0.331 0.000) 2.116 5.287 ( -2.090 0.331 0.000) 2.116 5.287 ( 2.090 -0.331 0.000) 2.116 5.287 ( 2.090 0.331 0.000) 2.116 5.463 ( -0.362 -0.837 0.000) 0.912 5.463 ( 0.362 -0.837 0.000) 0.912 5.463 ( -0.362 0.837 0.000) 0.912 5.463 ( 0.362 0.837 0.000) 0.912 5.541 ( -1.373 -0.294 0.000) 1.404 5.541 ( -1.373 0.294 0.000) 1.404 5.541 ( 1.373 -0.294 0.000) 1.404 5.541 ( 1.373 0.294 0.000) 1.404 5.889 ( -0.193 -0.513 0.000) 0.548 5.889 ( 0.193 -0.513 0.000) 0.548 5.889 ( -0.193 0.513 0.000) 0.548 5.889 ( 0.193 0.513 0.000) 0.548 6.140 ( -2.867 -1.934 0.000) 3.458 6.140 ( 2.867 -1.934 0.000) 3.458 6.140 ( -2.867 1.934 0.000) 3.458 6.140 ( 2.867 1.934 0.000) 3.458 6.272 ( -3.084 -1.886 0.000) 3.615 6.272 ( 3.084 -1.886 0.000) 3.615 6.272 ( -3.084 1.886 0.000) 3.615 6.272 ( 3.084 1.886 0.000) 3.615 6.350 ( -3.597 -0.576 0.000) 3.643 6.350 ( -3.597 0.576 0.000) 3.643 6.350 ( 3.597 -0.576 0.000) 3.643 6.350 ( 3.597 0.576 0.000) 3.643 6.368 ( -2.670 -0.332 0.000) 2.691 6.368 ( -2.670 0.332 0.000) 2.691 6.368 ( 2.670 -0.332 0.000) 2.691 6.368 ( 2.670 0.332 0.000) 2.691 6.465 ( -2.100 -0.892 0.000) 2.282 6.465 ( -2.100 0.892 0.000) 2.282 6.465 ( 2.100 -0.892 0.000) 2.282 6.465 ( 2.100 0.892 0.000) 2.282 6.633 ( -1.379 -2.484 0.000) 2.841 6.633 ( 1.379 -2.484 0.000) 2.841 6.633 ( -1.379 2.484 0.000) 2.841 6.633 ( 1.379 2.484 0.000) 2.841 6.731 ( -2.913 -1.981 0.000) 3.523 6.731 ( 2.913 -1.981 0.000) 3.523 6.731 ( -2.913 1.981 0.000) 3.523 6.731 ( 2.913 1.981 0.000) 3.523 7.572 ( -0.480 -0.362 0.000) 0.601 7.572 ( 0.480 -0.362 0.000) 0.601 7.572 ( -0.480 0.362 0.000) 0.601 7.572 ( 0.480 0.362 0.000) 0.601 7.652 ( -0.807 -0.252 0.000) 0.846 7.652 ( -0.807 0.252 0.000) 0.846 7.652 ( 0.807 -0.252 0.000) 0.846 7.652 ( 0.807 0.252 0.000) 0.846 7.843 ( -2.510 -1.341 0.000) 2.846 7.843 ( 2.510 -1.341 0.000) 2.846 7.843 ( -2.510 1.341 0.000) 2.846 7.843 ( 2.510 1.341 0.000) 2.846 7.905 ( -5.179 -1.949 0.000) 5.533 7.905 ( -5.179 1.949 0.000) 5.533 7.905 ( 5.179 -1.949 0.000) 5.533 7.905 ( 5.179 1.949 0.000) 5.533 ======================= Grid point 25 (10/27) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( 0.000 0.000 13.563) 13.563 0.368 ( 0.000 0.000 17.665) 17.665 0.560 ( 0.000 0.000 25.632) 25.632 0.734 ( 0.000 0.000 -6.560) 6.560 0.740 ( 0.000 0.000 4.195) 4.195 0.768 ( 0.000 0.000 5.853) 5.853 0.922 ( 0.000 0.000 3.110) 3.110 0.928 ( 0.000 0.000 -1.559) 1.559 0.940 ( 0.000 0.000 -1.181) 1.181 0.950 ( 0.000 0.000 -1.216) 1.216 0.953 ( 0.000 0.000 2.848) 2.848 1.010 ( 0.000 0.000 -1.786) 1.786 1.031 ( 0.000 0.000 -1.607) 1.607 1.049 ( 0.000 0.000 -0.858) 0.858 1.089 ( 0.000 0.000 -0.983) 0.983 1.099 ( 0.000 0.000 4.484) 4.484 1.106 ( 0.000 0.000 -2.219) 2.219 1.108 ( 0.000 0.000 -1.895) 1.895 1.153 ( 0.000 0.000 6.258) 6.258 1.154 ( 0.000 0.000 -0.656) 0.656 1.181 ( 0.000 0.000 2.478) 2.478 1.214 ( 0.000 0.000 0.459) 0.459 1.216 ( 0.000 0.000 1.494) 1.494 1.248 ( 0.000 0.000 3.131) 3.131 1.267 ( 0.000 0.000 1.888) 1.888 1.294 ( 0.000 0.000 -0.751) 0.751 1.303 ( 0.000 0.000 -2.441) 2.441 1.310 ( 0.000 0.000 -5.525) 5.525 1.341 ( 0.000 0.000 3.345) 3.345 1.342 ( 0.000 0.000 -1.585) 1.585 1.390 ( 0.000 0.000 1.093) 1.093 1.406 ( 0.000 0.000 2.881) 2.881 1.471 ( 0.000 0.000 2.339) 2.339 1.472 ( 0.000 0.000 0.601) 0.601 1.486 ( 0.000 0.000 -1.033) 1.033 1.498 ( 0.000 0.000 -4.697) 4.697 1.516 ( 0.000 0.000 -0.778) 0.778 1.543 ( 0.000 0.000 -4.259) 4.259 1.554 ( 0.000 0.000 -7.628) 7.628 1.560 ( 0.000 0.000 -3.967) 3.967 1.569 ( 0.000 0.000 -1.281) 1.281 1.593 ( 0.000 0.000 1.189) 1.189 1.621 ( 0.000 0.000 -6.697) 6.697 1.664 ( 0.000 0.000 0.804) 0.804 1.680 ( 0.000 0.000 -3.012) 3.012 1.692 ( 0.000 0.000 -3.800) 3.800 1.705 ( 0.000 0.000 -4.196) 4.196 1.712 ( 0.000 0.000 -1.595) 1.595 1.715 ( 0.000 0.000 -8.104) 8.104 1.745 ( 0.000 0.000 -0.002) 0.002 1.757 ( 0.000 0.000 0.325) 0.325 1.790 ( 0.000 0.000 0.174) 0.174 1.822 ( 0.000 0.000 -0.265) 0.265 1.856 ( 0.000 0.000 4.031) 4.031 1.856 ( 0.000 0.000 2.594) 2.594 1.890 ( 0.000 0.000 2.643) 2.643 1.936 ( 0.000 0.000 4.576) 4.576 1.959 ( 0.000 0.000 -2.094) 2.094 1.967 ( 0.000 0.000 -0.108) 0.108 2.010 ( 0.000 0.000 5.343) 5.343 2.027 ( 0.000 0.000 8.270) 8.270 2.032 ( 0.000 0.000 1.025) 1.025 2.117 ( 0.000 0.000 -3.763) 3.763 2.117 ( 0.000 0.000 0.810) 0.810 2.128 ( 0.000 0.000 3.688) 3.688 2.130 ( 0.000 0.000 1.472) 1.472 2.138 ( 0.000 0.000 0.220) 0.220 2.161 ( 0.000 0.000 2.102) 2.102 2.163 ( 0.000 0.000 -0.343) 0.343 2.202 ( 0.000 0.000 -1.603) 1.603 2.203 ( 0.000 0.000 0.404) 0.404 2.230 ( 0.000 0.000 -1.410) 1.410 2.248 ( 0.000 0.000 2.006) 2.006 2.253 ( 0.000 0.000 -0.529) 0.529 2.290 ( 0.000 0.000 1.717) 1.717 2.331 ( 0.000 0.000 1.538) 1.538 2.332 ( 0.000 0.000 -2.564) 2.564 2.354 ( 0.000 0.000 -4.343) 4.343 2.378 ( 0.000 0.000 0.814) 0.814 2.389 ( 0.000 0.000 -2.806) 2.806 2.428 ( 0.000 0.000 -3.913) 3.913 2.450 ( 0.000 0.000 -1.607) 1.607 2.456 ( 0.000 0.000 -2.555) 2.555 2.460 ( 0.000 0.000 5.002) 5.002 2.516 ( 0.000 0.000 2.723) 2.723 2.521 ( 0.000 0.000 3.199) 3.199 2.526 ( 0.000 0.000 -1.672) 1.672 2.590 ( 0.000 0.000 -3.940) 3.940 2.591 ( 0.000 0.000 5.370) 5.370 2.602 ( 0.000 0.000 -2.836) 2.836 2.635 ( 0.000 0.000 -2.310) 2.310 2.699 ( 0.000 0.000 3.794) 3.794 2.711 ( 0.000 0.000 -3.650) 3.650 2.715 ( 0.000 0.000 0.976) 0.976 2.732 ( 0.000 0.000 -1.704) 1.704 2.785 ( 0.000 0.000 -1.147) 1.147 2.821 ( 0.000 0.000 0.233) 0.233 2.823 ( 0.000 0.000 -0.996) 0.996 2.833 ( 0.000 0.000 0.349) 0.349 2.842 ( 0.000 0.000 1.336) 1.336 2.858 ( 0.000 0.000 -0.842) 0.842 2.872 ( 0.000 0.000 4.289) 4.289 2.878 ( 0.000 0.000 -1.857) 1.857 2.904 ( 0.000 0.000 2.307) 2.307 2.945 ( 0.000 0.000 4.569) 4.569 2.974 ( 0.000 0.000 0.555) 0.555 3.006 ( 0.000 0.000 -2.352) 2.352 3.049 ( 0.000 0.000 0.218) 0.218 3.052 ( 0.000 0.000 -0.699) 0.699 3.075 ( 0.000 0.000 2.502) 2.502 3.095 ( 0.000 0.000 -5.462) 5.462 3.097 ( 0.000 0.000 -2.470) 2.470 3.161 ( 0.000 0.000 -2.538) 2.538 3.184 ( 0.000 0.000 1.700) 1.700 3.252 ( 0.000 0.000 -7.048) 7.048 3.261 ( 0.000 0.000 -1.314) 1.314 3.363 ( 0.000 0.000 0.823) 0.823 3.381 ( 0.000 0.000 1.116) 1.116 3.386 ( 0.000 0.000 0.402) 0.402 3.396 ( 0.000 0.000 0.078) 0.078 3.431 ( 0.000 0.000 -0.206) 0.206 3.437 ( 0.000 0.000 -1.457) 1.457 3.481 ( 0.000 0.000 2.878) 2.878 3.498 ( 0.000 0.000 1.001) 1.001 3.532 ( 0.000 0.000 0.423) 0.423 3.557 ( 0.000 0.000 0.691) 0.691 3.584 ( 0.000 0.000 -0.348) 0.348 3.628 ( 0.000 0.000 -1.180) 1.180 3.749 ( 0.000 0.000 2.516) 2.516 3.787 ( 0.000 0.000 4.400) 4.400 3.885 ( 0.000 0.000 -3.166) 3.166 3.938 ( 0.000 0.000 3.647) 3.647 3.951 ( 0.000 0.000 6.262) 6.262 4.029 ( 0.000 0.000 -5.321) 5.321 4.102 ( 0.000 0.000 -2.838) 2.838 4.157 ( 0.000 0.000 -2.720) 2.720 4.198 ( 0.000 0.000 3.604) 3.604 4.291 ( 0.000 0.000 3.217) 3.217 4.327 ( 0.000 0.000 -2.414) 2.414 4.345 ( 0.000 0.000 0.715) 0.715 4.368 ( 0.000 0.000 -0.691) 0.691 4.399 ( 0.000 0.000 0.599) 0.599 4.408 ( 0.000 0.000 0.009) 0.009 4.434 ( 0.000 0.000 -2.157) 2.157 4.730 ( 0.000 0.000 0.556) 0.556 4.765 ( 0.000 0.000 1.526) 1.526 4.781 ( 0.000 0.000 -1.309) 1.309 4.847 ( 0.000 0.000 -1.715) 1.715 4.975 ( 0.000 0.000 -0.165) 0.165 4.978 ( 0.000 0.000 -0.243) 0.243 5.093 ( 0.000 0.000 -0.072) 0.072 5.112 ( 0.000 0.000 -1.305) 1.305 5.164 ( 0.000 0.000 0.095) 0.095 5.164 ( 0.000 0.000 0.146) 0.146 5.177 ( 0.000 0.000 0.718) 0.718 5.208 ( 0.000 0.000 1.388) 1.388 5.220 ( 0.000 0.000 -0.982) 0.982 5.243 ( 0.000 0.000 -0.608) 0.608 5.280 ( 0.000 0.000 2.222) 2.222 5.380 ( 0.000 0.000 -1.721) 1.721 5.430 ( 0.000 0.000 0.875) 0.875 5.477 ( 0.000 0.000 -0.433) 0.433 5.484 ( 0.000 0.000 -0.897) 0.897 5.487 ( 0.000 0.000 -1.401) 1.401 5.500 ( 0.000 0.000 0.188) 0.188 5.507 ( 0.000 0.000 -0.380) 0.380 5.559 ( 0.000 0.000 1.859) 1.859 5.629 ( 0.000 0.000 -1.006) 1.006 5.892 ( 0.000 0.000 0.721) 0.721 5.918 ( 0.000 0.000 2.495) 2.495 5.918 ( 0.000 0.000 0.020) 0.020 5.978 ( 0.000 0.000 0.537) 0.537 5.989 ( 0.000 0.000 5.545) 5.545 6.071 ( 0.000 0.000 0.185) 0.185 6.087 ( 0.000 0.000 -2.079) 2.079 6.108 ( 0.000 0.000 -3.347) 3.347 6.119 ( 0.000 0.000 -3.869) 3.869 6.252 ( 0.000 0.000 -1.371) 1.371 6.279 ( 0.000 0.000 2.972) 2.972 6.304 ( 0.000 0.000 2.297) 2.297 6.316 ( 0.000 0.000 0.108) 0.108 6.333 ( 0.000 0.000 0.573) 0.573 6.357 ( 0.000 0.000 -0.093) 0.093 6.362 ( 0.000 0.000 0.605) 0.605 6.420 ( 0.000 0.000 3.892) 3.892 6.437 ( 0.000 0.000 1.878) 1.878 6.469 ( 0.000 0.000 1.140) 1.140 6.497 ( 0.000 0.000 0.107) 0.107 6.518 ( 0.000 0.000 -0.080) 0.080 6.542 ( 0.000 0.000 -3.088) 3.088 6.547 ( 0.000 0.000 -2.115) 2.115 6.549 ( 0.000 0.000 -0.356) 0.356 6.568 ( 0.000 0.000 -1.384) 1.384 6.608 ( 0.000 0.000 -2.224) 2.224 6.608 ( 0.000 0.000 1.231) 1.231 6.635 ( 0.000 0.000 1.781) 1.781 6.657 ( 0.000 0.000 1.916) 1.916 6.692 ( 0.000 0.000 -1.101) 1.101 6.747 ( 0.000 0.000 -1.344) 1.344 6.754 ( 0.000 0.000 -2.535) 2.535 7.559 ( 0.000 0.000 0.335) 0.335 7.573 ( 0.000 0.000 0.888) 0.888 7.608 ( 0.000 0.000 -1.398) 1.398 7.609 ( 0.000 0.000 1.661) 1.661 7.626 ( 0.000 0.000 -1.233) 1.233 7.650 ( 0.000 0.000 0.638) 0.638 7.669 ( 0.000 0.000 -0.897) 0.897 7.686 ( 0.000 0.000 -0.738) 0.738 7.720 ( 0.000 0.000 0.285) 0.285 7.736 ( 0.000 0.000 -0.347) 0.347 7.776 ( 0.000 0.000 0.620) 0.620 7.809 ( 0.000 0.000 -0.711) 0.711 7.836 ( 0.000 0.000 0.828) 0.828 7.870 ( 0.000 0.000 -0.582) 0.582 7.937 ( 0.000 0.000 1.710) 1.710 8.028 ( 0.000 0.000 -1.897) 1.897 ======================= Grid point 26 (11/27) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 10.525 0.000 8.265) 13.383 0.428 ( 9.169 0.000 9.134) 12.942 0.755 ( 1.463 0.000 -3.544) 3.835 0.765 ( 1.558 0.000 3.268) 3.620 0.804 ( 13.408 0.000 13.545) 19.059 0.805 ( 2.345 0.000 4.739) 5.288 0.877 ( -5.286 0.000 0.438) 5.304 0.887 ( -0.918 0.000 -1.388) 1.664 0.911 ( -2.264 0.000 2.543) 3.404 0.934 ( -1.960 0.000 -3.123) 3.687 0.940 ( -3.318 0.000 -3.028) 4.492 0.980 ( -1.070 0.000 2.346) 2.579 0.993 ( -1.903 0.000 1.278) 2.292 1.018 ( -0.268 0.000 -1.188) 1.218 1.067 ( -3.081 0.000 -0.433) 3.111 1.112 ( -1.165 0.000 -2.730) 2.968 1.127 ( -1.330 0.000 -2.694) 3.004 1.131 ( 1.260 0.000 6.621) 6.740 1.182 ( 0.908 0.000 3.550) 3.665 1.183 ( 2.194 0.000 1.095) 2.452 1.196 ( 1.840 0.000 2.057) 2.760 1.199 ( 1.183 0.000 2.855) 3.091 1.249 ( 2.741 0.000 2.188) 3.507 1.251 ( 0.189 0.000 1.520) 1.532 1.269 ( -2.477 0.000 1.811) 3.069 1.289 ( 4.785 0.000 0.702) 4.836 1.329 ( 2.093 0.000 -1.997) 2.893 1.336 ( 2.460 0.000 -1.645) 2.960 1.373 ( 0.867 0.000 -1.832) 2.027 1.374 ( -0.239 0.000 0.511) 0.564 1.383 ( 0.012 0.000 2.811) 2.811 1.420 ( 4.152 0.000 -2.481) 4.836 1.432 ( -1.399 0.000 -3.479) 3.749 1.462 ( -1.355 0.000 -0.110) 1.360 1.486 ( 0.010 0.000 -4.015) 4.015 1.522 ( 2.089 0.000 -1.586) 2.623 1.532 ( 4.160 0.000 4.161) 5.884 1.542 ( 0.339 0.000 -1.081) 1.133 1.551 ( -0.925 0.000 -0.499) 1.051 1.588 ( 2.588 0.000 -1.089) 2.808 1.598 ( -0.301 0.000 -4.079) 4.090 1.613 ( -0.637 0.000 0.151) 0.655 1.653 ( -2.930 0.000 -2.241) 3.689 1.654 ( -2.565 0.000 -3.035) 3.974 1.679 ( 2.472 0.000 -0.279) 2.488 1.683 ( -1.617 0.000 -5.551) 5.782 1.706 ( 2.140 0.000 -3.993) 4.531 1.736 ( 3.196 0.000 -0.860) 3.310 1.754 ( 2.512 0.000 -3.295) 4.143 1.781 ( 3.706 0.000 -2.456) 4.446 1.788 ( -0.430 0.000 0.325) 0.539 1.815 ( -3.512 0.000 4.993) 6.104 1.838 ( 2.957 0.000 1.106) 3.157 1.871 ( 3.543 0.000 6.073) 7.031 1.877 ( 5.401 0.000 -4.371) 6.948 1.917 ( 3.173 0.000 0.854) 3.286 1.918 ( 0.665 0.000 1.561) 1.697 1.940 ( -0.167 0.000 0.388) 0.423 1.978 ( 0.834 0.000 3.601) 3.696 1.980 ( 1.185 0.000 1.141) 1.645 2.064 ( 1.462 0.000 0.947) 1.742 2.069 ( -1.348 0.000 4.029) 4.248 2.083 ( -2.869 0.000 -1.739) 3.355 2.097 ( 0.133 0.000 0.096) 0.164 2.133 ( -0.807 0.000 0.027) 0.808 2.137 ( -0.614 0.000 1.925) 2.021 2.146 ( 0.142 0.000 -3.526) 3.529 2.159 ( 0.700 0.000 -2.395) 2.495 2.199 ( 2.339 0.000 5.121) 5.630 2.204 ( -1.005 0.000 -3.168) 3.324 2.216 ( 0.415 0.000 0.130) 0.435 2.238 ( 1.341 0.000 -1.021) 1.686 2.256 ( 1.082 0.000 2.191) 2.444 2.268 ( -0.128 0.000 3.573) 3.575 2.303 ( -0.409 0.000 -0.528) 0.667 2.311 ( -1.678 0.000 2.089) 2.679 2.329 ( 1.155 0.000 2.607) 2.852 2.360 ( 2.780 0.000 -2.570) 3.786 2.366 ( 2.913 0.000 -0.532) 2.962 2.378 ( -2.813 0.000 0.161) 2.818 2.441 ( 0.154 0.000 -1.268) 1.277 2.451 ( 0.654 0.000 -2.991) 3.062 2.472 ( 2.479 0.000 -4.515) 5.151 2.492 ( 1.018 0.000 2.702) 2.888 2.514 ( -0.374 0.000 -2.366) 2.396 2.525 ( 0.213 0.000 0.679) 0.711 2.556 ( 2.765 0.000 2.078) 3.459 2.583 ( 0.602 0.000 -1.619) 1.727 2.595 ( 0.760 0.000 4.569) 4.632 2.615 ( -1.440 0.000 0.082) 1.442 2.621 ( 0.796 0.000 -3.035) 3.138 2.667 ( -1.877 0.000 2.809) 3.378 2.675 ( -3.383 0.000 -2.906) 4.460 2.722 ( -2.310 0.000 -0.625) 2.393 2.756 ( 1.752 0.000 -0.444) 1.808 2.770 ( -3.542 0.000 -0.843) 3.641 2.773 ( -2.951 0.000 -0.625) 3.016 2.791 ( -3.242 0.000 1.539) 3.589 2.801 ( -2.798 0.000 -0.905) 2.941 2.803 ( -3.437 0.000 1.436) 3.725 2.828 ( -0.258 0.000 -1.500) 1.522 2.854 ( -1.144 0.000 1.923) 2.237 2.863 ( -3.483 0.000 0.861) 3.588 2.878 ( -0.526 0.000 -2.054) 2.120 2.912 ( -1.315 0.000 3.550) 3.786 2.924 ( -1.971 0.000 2.680) 3.327 3.007 ( -3.870 0.000 -4.278) 5.768 3.031 ( 1.038 0.000 -1.191) 1.580 3.037 ( -3.343 0.000 -4.476) 5.586 3.063 ( 0.328 0.000 1.405) 1.443 3.076 ( 0.945 0.000 2.623) 2.788 3.125 ( 4.303 0.000 -0.255) 4.310 3.158 ( -1.479 0.000 -0.351) 1.520 3.192 ( -3.043 0.000 -4.879) 5.750 3.218 ( 2.276 0.000 -2.923) 3.705 3.225 ( -2.575 0.000 1.964) 3.238 3.273 ( -6.765 0.000 1.444) 6.917 3.322 ( -6.673 0.000 0.433) 6.687 3.339 ( -0.703 0.000 -0.499) 0.862 3.374 ( -4.588 0.000 -1.456) 4.814 3.410 ( -0.452 0.000 1.747) 1.805 3.432 ( -1.770 0.000 3.013) 3.495 3.449 ( -1.979 0.000 2.234) 2.984 3.451 ( -1.638 0.000 2.393) 2.900 3.484 ( -0.116 0.000 -0.193) 0.225 3.526 ( -2.271 0.000 -0.519) 2.330 3.562 ( -1.685 0.000 0.249) 1.703 3.590 ( -3.136 0.000 -1.258) 3.379 3.782 ( 2.701 0.000 2.125) 3.436 3.823 ( 2.907 0.000 4.704) 5.530 3.896 ( 1.018 0.000 -2.738) 2.921 3.902 ( -2.620 0.000 2.451) 3.587 3.938 ( -1.396 0.000 6.096) 6.254 3.969 ( -3.473 0.000 -0.110) 3.475 4.064 ( 2.298 0.000 -4.565) 5.111 4.144 ( -1.123 0.000 -2.024) 2.315 4.239 ( 3.346 0.000 1.851) 3.824 4.314 ( 2.408 0.000 2.614) 3.554 4.332 ( 0.533 0.000 -1.900) 1.974 4.371 ( -0.429 0.000 0.084) 0.437 4.385 ( -2.022 0.000 -0.040) 2.023 4.400 ( 0.386 0.000 -0.083) 0.395 4.424 ( -0.731 0.000 -1.516) 1.683 4.432 ( 0.388 0.000 -2.501) 2.531 4.810 ( 6.591 0.000 0.701) 6.628 4.852 ( 5.793 0.000 -1.043) 5.886 4.859 ( 7.501 0.000 0.966) 7.563 4.908 ( 5.102 0.000 -0.991) 5.197 4.972 ( -0.368 0.000 0.474) 0.600 4.998 ( 1.632 0.000 -0.505) 1.709 5.092 ( 0.088 0.000 0.027) 0.092 5.095 ( -1.790 0.000 -0.613) 1.892 5.131 ( -3.072 0.000 0.609) 3.132 5.147 ( -2.695 0.000 0.769) 2.803 5.171 ( -4.060 0.000 -0.642) 4.111 5.178 ( -2.075 0.000 -2.214) 3.035 5.221 ( 1.454 0.000 0.206) 1.469 5.245 ( 0.767 0.000 -1.576) 1.753 5.282 ( -0.367 0.000 1.212) 1.267 5.341 ( -3.014 0.000 -1.327) 3.293 5.442 ( 0.576 0.000 0.997) 1.151 5.472 ( -0.594 0.000 -0.141) 0.610 5.478 ( -0.033 0.000 -0.483) 0.484 5.497 ( -0.451 0.000 -0.559) 0.718 5.497 ( 0.832 0.000 0.189) 0.854 5.512 ( 0.958 0.000 -0.954) 1.352 5.548 ( -0.693 0.000 0.600) 0.917 5.597 ( -2.176 0.000 -1.259) 2.514 5.905 ( 1.492 0.000 3.659) 3.952 5.918 ( 1.598 0.000 1.967) 2.534 5.969 ( -1.115 0.000 4.239) 4.384 6.008 ( 0.817 0.000 3.712) 3.801 6.018 ( 3.176 0.000 1.309) 3.435 6.092 ( 1.767 0.000 -2.521) 3.078 6.112 ( 1.954 0.000 -2.703) 3.335 6.128 ( 0.990 0.000 -2.627) 2.808 6.174 ( 5.060 0.000 -0.068) 5.061 6.218 ( -0.451 0.000 -0.999) 1.096 6.259 ( -1.030 0.000 -0.407) 1.107 6.285 ( -2.351 0.000 0.564) 2.418 6.287 ( 0.137 0.000 1.119) 1.127 6.323 ( -1.885 0.000 -0.447) 1.938 6.351 ( -1.158 0.000 0.755) 1.383 6.363 ( -0.420 0.000 0.309) 0.522 6.396 ( -1.222 0.000 0.604) 1.363 6.423 ( -0.086 0.000 3.551) 3.552 6.444 ( -0.317 0.000 0.418) 0.525 6.447 ( -3.427 0.000 -1.524) 3.750 6.473 ( -0.372 0.000 1.330) 1.381 6.492 ( -2.031 0.000 -0.112) 2.034 6.528 ( -0.924 0.000 -0.930) 1.311 6.553 ( -3.201 0.000 0.285) 3.213 6.578 ( 1.347 0.000 -1.073) 1.722 6.604 ( -0.857 0.000 2.789) 2.917 6.614 ( 2.385 0.000 -2.050) 3.145 6.680 ( 2.079 0.000 1.951) 2.851 6.704 ( -0.999 0.000 -1.957) 2.198 6.732 ( 1.366 0.000 -0.472) 1.446 6.811 ( 3.331 0.000 -3.020) 4.496 6.829 ( 4.884 0.000 -6.803) 8.375 7.562 ( 0.313 0.000 0.588) 0.666 7.577 ( 0.372 0.000 0.956) 1.026 7.595 ( -1.028 0.000 1.603) 1.905 7.615 ( 0.666 0.000 -1.379) 1.531 7.622 ( -1.783 0.000 0.983) 2.036 7.632 ( 0.538 0.000 -1.207) 1.322 7.658 ( -0.900 0.000 -1.084) 1.409 7.673 ( -1.005 0.000 -0.999) 1.417 7.752 ( 2.522 0.000 0.039) 2.523 7.754 ( 1.470 0.000 0.008) 1.470 7.818 ( -0.471 0.000 0.450) 0.651 7.827 ( 3.912 0.000 -0.028) 3.912 7.836 ( 1.195 0.000 0.095) 1.199 7.854 ( -1.415 0.000 -0.496) 1.499 7.920 ( -1.477 0.000 1.415) 2.045 7.998 ( -2.697 0.000 -1.688) 3.181 ======================= Grid point 27 (12/27) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -10.673 0.000 3.328) 11.180 0.656 ( 10.673 0.000 3.328) 11.180 0.673 ( -10.939 0.000 -1.126) 10.997 0.673 ( 10.939 0.000 -1.126) 10.997 0.834 ( -2.052 0.000 2.206) 3.013 0.834 ( 2.052 0.000 2.206) 3.013 0.850 ( -1.462 0.000 -1.475) 2.077 0.850 ( 1.462 0.000 -1.475) 2.077 0.890 ( -0.639 0.000 -2.077) 2.173 0.890 ( 0.639 0.000 -2.077) 2.173 1.000 ( -1.636 0.000 4.008) 4.329 1.000 ( 1.636 0.000 4.008) 4.329 1.004 ( -2.524 0.000 0.551) 2.584 1.004 ( 2.524 0.000 0.551) 2.584 1.062 ( -1.322 0.000 -0.940) 1.623 1.062 ( 1.322 0.000 -0.940) 1.623 1.130 ( -6.272 0.000 2.767) 6.855 1.130 ( 6.272 0.000 2.767) 6.855 1.160 ( -1.743 0.000 2.735) 3.243 1.160 ( 1.743 0.000 2.735) 3.243 1.225 ( -0.794 0.000 3.550) 3.638 1.225 ( 0.794 0.000 3.550) 3.638 1.245 ( -1.383 0.000 3.189) 3.476 1.245 ( 1.383 0.000 3.189) 3.476 1.317 ( -2.496 0.000 0.226) 2.507 1.317 ( 2.496 0.000 0.226) 2.507 1.366 ( -1.486 0.000 0.736) 1.658 1.366 ( 1.486 0.000 0.736) 1.658 1.393 ( -2.339 0.000 -2.591) 3.490 1.393 ( 2.339 0.000 -2.591) 3.490 1.416 ( -2.055 0.000 -1.034) 2.301 1.416 ( 2.055 0.000 -1.034) 2.301 1.470 ( -3.770 0.000 -0.315) 3.784 1.470 ( 3.770 0.000 -0.315) 3.784 1.521 ( -5.920 0.000 3.516) 6.885 1.521 ( 5.920 0.000 3.516) 6.885 1.540 ( -1.441 0.000 -0.781) 1.639 1.540 ( 1.441 0.000 -0.781) 1.639 1.593 ( -4.607 0.000 -4.096) 6.164 1.593 ( 4.607 0.000 -4.096) 6.164 1.594 ( -1.248 0.000 -0.241) 1.271 1.594 ( 1.248 0.000 -0.241) 1.271 1.617 ( -2.310 0.000 -4.457) 5.020 1.617 ( 2.310 0.000 -4.457) 5.020 1.688 ( -3.377 0.000 -0.589) 3.428 1.688 ( 3.377 0.000 -0.589) 3.428 1.738 ( -1.828 0.000 0.567) 1.914 1.738 ( 1.828 0.000 0.567) 1.914 1.753 ( -2.529 0.000 0.973) 2.710 1.753 ( 2.529 0.000 0.973) 2.710 1.839 ( -4.805 0.000 2.277) 5.318 1.839 ( 4.805 0.000 2.277) 5.318 1.862 ( -1.543 0.000 -3.853) 4.150 1.862 ( 1.543 0.000 -3.853) 4.150 1.986 ( -3.738 0.000 -2.479) 4.485 1.986 ( 3.738 0.000 -2.479) 4.485 1.990 ( -2.361 0.000 1.583) 2.842 1.990 ( 2.361 0.000 1.583) 2.842 2.008 ( -4.058 0.000 -1.465) 4.314 2.008 ( 4.058 0.000 -1.465) 4.314 2.021 ( -2.598 0.000 4.696) 5.367 2.021 ( 2.598 0.000 4.696) 5.367 2.096 ( -0.795 0.000 -0.714) 1.068 2.096 ( 0.795 0.000 -0.714) 1.068 2.108 ( -6.733 0.000 -1.612) 6.923 2.108 ( 6.733 0.000 -1.612) 6.923 2.176 ( -3.314 0.000 1.589) 3.675 2.176 ( 3.314 0.000 1.589) 3.675 2.183 ( -0.306 0.000 -1.329) 1.364 2.183 ( 0.306 0.000 -1.329) 1.364 2.233 ( -1.626 0.000 3.942) 4.264 2.233 ( 1.626 0.000 3.942) 4.264 2.253 ( -1.291 0.000 -2.237) 2.582 2.253 ( 1.291 0.000 -2.237) 2.582 2.308 ( -1.941 0.000 3.078) 3.639 2.308 ( 1.941 0.000 3.078) 3.639 2.319 ( -1.795 0.000 1.592) 2.400 2.319 ( 1.795 0.000 1.592) 2.400 2.441 ( -2.141 0.000 -0.645) 2.236 2.441 ( 2.141 0.000 -0.645) 2.236 2.451 ( -0.995 0.000 -2.825) 2.995 2.451 ( 0.995 0.000 -2.825) 2.995 2.513 ( -3.149 0.000 -1.063) 3.323 2.513 ( 3.149 0.000 -1.063) 3.323 2.537 ( -5.316 0.000 1.291) 5.471 2.537 ( 5.316 0.000 1.291) 5.471 2.592 ( -4.042 0.000 0.694) 4.101 2.592 ( 4.042 0.000 0.694) 4.101 2.606 ( -0.969 0.000 -2.399) 2.587 2.606 ( 0.969 0.000 -2.399) 2.587 2.621 ( -3.025 0.000 -2.268) 3.780 2.621 ( 3.025 0.000 -2.268) 3.780 2.656 ( -4.192 0.000 3.514) 5.470 2.656 ( 4.192 0.000 3.514) 5.470 2.700 ( -5.732 0.000 1.817) 6.013 2.700 ( 5.732 0.000 1.817) 6.013 2.729 ( -0.921 0.000 -0.080) 0.924 2.729 ( 0.921 0.000 -0.080) 0.924 2.790 ( -3.230 0.000 -2.865) 4.318 2.790 ( 3.230 0.000 -2.865) 4.318 2.798 ( -0.766 0.000 2.816) 2.918 2.798 ( 0.766 0.000 2.816) 2.918 2.856 ( -0.834 0.000 -0.571) 1.011 2.856 ( 0.834 0.000 -0.571) 1.011 2.901 ( -2.886 0.000 -2.893) 4.087 2.901 ( 2.886 0.000 -2.893) 4.087 2.999 ( -1.730 0.000 -4.843) 5.143 2.999 ( 1.730 0.000 -4.843) 5.143 3.060 ( -2.470 0.000 1.217) 2.754 3.060 ( 2.470 0.000 1.217) 2.754 3.130 ( -0.637 0.000 -2.232) 2.322 3.130 ( 0.637 0.000 -2.232) 2.322 3.135 ( -4.730 0.000 2.987) 5.594 3.135 ( 4.730 0.000 2.987) 5.594 3.201 ( -1.825 0.000 3.076) 3.577 3.201 ( 1.825 0.000 3.076) 3.577 3.257 ( -5.714 0.000 -1.680) 5.956 3.257 ( 5.714 0.000 -1.680) 5.956 3.291 ( -3.043 0.000 -1.749) 3.510 3.291 ( 3.043 0.000 -1.749) 3.510 3.406 ( -1.672 0.000 2.689) 3.166 3.406 ( 1.672 0.000 2.689) 3.166 3.425 ( -0.962 0.000 1.658) 1.916 3.425 ( 0.962 0.000 1.658) 1.916 3.519 ( -2.930 0.000 -1.006) 3.098 3.519 ( 2.930 0.000 -1.006) 3.098 3.523 ( -1.522 0.000 -0.451) 1.587 3.523 ( 1.522 0.000 -0.451) 1.587 3.842 ( -2.627 0.000 1.630) 3.092 3.842 ( 2.627 0.000 1.630) 3.092 3.891 ( -2.776 0.000 5.546) 6.202 3.891 ( 2.776 0.000 5.546) 6.202 3.924 ( -1.476 0.000 -1.879) 2.389 3.924 ( 1.476 0.000 -1.879) 2.389 4.112 ( -1.917 0.000 -3.244) 3.768 4.112 ( 1.917 0.000 -3.244) 3.768 4.321 ( -3.776 0.000 0.544) 3.815 4.321 ( 3.776 0.000 0.544) 3.815 4.351 ( -1.131 0.000 -0.683) 1.322 4.351 ( 1.131 0.000 -0.683) 1.322 4.386 ( -3.581 0.000 0.452) 3.609 4.386 ( 3.581 0.000 0.452) 3.609 4.410 ( -0.530 0.000 -0.535) 0.753 4.410 ( 0.530 0.000 -0.535) 0.753 4.937 ( -3.742 0.000 0.817) 3.830 4.937 ( 3.742 0.000 0.817) 3.830 4.982 ( -4.846 0.000 -0.984) 4.945 4.982 ( 4.846 0.000 -0.984) 4.945 5.033 ( -5.573 0.000 0.164) 5.575 5.033 ( 5.573 0.000 0.164) 5.575 5.035 ( -7.893 0.000 0.056) 7.893 5.035 ( 7.893 0.000 0.056) 7.893 5.083 ( -2.213 0.000 0.434) 2.255 5.083 ( 2.213 0.000 0.434) 2.255 5.117 ( -2.592 0.000 -1.221) 2.865 5.117 ( 2.592 0.000 -1.221) 2.865 5.264 ( -1.019 0.000 -0.393) 1.092 5.264 ( 1.019 0.000 -0.393) 1.092 5.272 ( -3.084 0.000 -0.581) 3.138 5.272 ( 3.084 0.000 -0.581) 3.138 5.454 ( -0.751 0.000 0.612) 0.969 5.454 ( 0.751 0.000 0.612) 0.969 5.484 ( -0.547 0.000 -0.194) 0.580 5.484 ( 0.547 0.000 -0.194) 0.580 5.532 ( -0.837 0.000 -0.709) 1.097 5.532 ( 0.837 0.000 -0.709) 1.097 5.544 ( -2.714 0.000 -0.740) 2.813 5.544 ( 2.714 0.000 -0.740) 2.813 5.945 ( -1.055 0.000 3.383) 3.544 5.945 ( 1.055 0.000 3.383) 3.544 5.958 ( -3.211 0.000 5.729) 6.568 5.958 ( 3.211 0.000 5.729) 6.568 6.094 ( -2.584 0.000 0.242) 2.595 6.094 ( 2.584 0.000 0.242) 2.595 6.151 ( -1.008 0.000 -3.761) 3.894 6.151 ( 1.008 0.000 -3.761) 3.894 6.230 ( -1.894 0.000 -0.024) 1.894 6.230 ( 1.894 0.000 -0.024) 1.894 6.266 ( -3.273 0.000 -1.124) 3.461 6.266 ( 3.273 0.000 -1.124) 3.461 6.288 ( -3.211 0.000 -1.886) 3.724 6.288 ( 3.211 0.000 -1.886) 3.724 6.327 ( -3.827 0.000 -2.143) 4.386 6.327 ( 3.827 0.000 -2.143) 4.386 6.404 ( -0.974 0.000 2.428) 2.616 6.404 ( 0.974 0.000 2.428) 2.616 6.424 ( -1.817 0.000 1.998) 2.701 6.424 ( 1.817 0.000 1.998) 2.701 6.489 ( -2.189 0.000 0.883) 2.361 6.489 ( 2.189 0.000 0.883) 2.361 6.494 ( -1.711 0.000 0.395) 1.756 6.494 ( 1.711 0.000 0.395) 1.756 6.596 ( -0.380 0.000 0.917) 0.993 6.596 ( 0.380 0.000 0.917) 0.993 6.668 ( -2.264 0.000 -2.074) 3.070 6.668 ( 2.264 0.000 -2.074) 3.070 6.727 ( -1.677 0.000 0.809) 1.862 6.727 ( 1.677 0.000 0.809) 1.862 6.862 ( -1.007 0.000 -4.484) 4.596 6.862 ( 1.007 0.000 -4.484) 4.596 7.574 ( -0.796 0.000 1.179) 1.423 7.574 ( 0.796 0.000 1.179) 1.423 7.591 ( -1.024 0.000 1.080) 1.488 7.591 ( 1.024 0.000 1.080) 1.488 7.635 ( -1.038 0.000 -1.287) 1.653 7.635 ( 1.038 0.000 -1.287) 1.653 7.650 ( -0.981 0.000 -1.181) 1.535 7.650 ( 0.981 0.000 -1.181) 1.535 7.790 ( -1.714 0.000 0.486) 1.781 7.790 ( 1.714 0.000 0.486) 1.781 7.810 ( -2.543 0.000 -0.331) 2.564 7.810 ( 2.543 0.000 -0.331) 2.564 7.879 ( -2.191 0.000 0.668) 2.291 7.879 ( 2.191 0.000 0.668) 2.291 7.920 ( -4.283 0.000 -0.964) 4.390 7.920 ( 4.283 0.000 -0.964) 4.390 ======================= Grid point 30 (13/27) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 0.000 8.425 9.651) 12.811 0.433 ( 0.000 6.496 14.045) 15.474 0.689 ( 0.000 -5.805 3.550) 6.805 0.704 ( 0.000 6.311 13.661) 15.048 0.717 ( 0.000 1.059 8.683) 8.747 0.769 ( 0.000 2.379 -4.546) 5.131 0.872 ( 0.000 -4.696 -2.604) 5.370 0.909 ( 0.000 -1.087 2.206) 2.459 0.932 ( 0.000 -1.747 -3.714) 4.104 0.947 ( 0.000 -0.398 1.233) 1.295 0.953 ( 0.000 0.235 2.127) 2.139 0.983 ( 0.000 -2.591 2.039) 3.297 0.997 ( 0.000 -2.412 1.299) 2.740 1.029 ( 0.000 0.827 -0.067) 0.830 1.052 ( 0.000 -1.875 0.372) 1.911 1.091 ( 0.000 1.474 -0.561) 1.577 1.111 ( 0.000 -1.221 2.138) 2.462 1.114 ( 0.000 0.235 2.529) 2.540 1.139 ( 0.000 -6.581 2.051) 6.894 1.154 ( 0.000 0.199 -0.801) 0.825 1.178 ( 0.000 -2.140 0.651) 2.237 1.178 ( 0.000 -1.097 5.020) 5.138 1.210 ( 0.000 1.112 -0.969) 1.475 1.238 ( 0.000 -0.569 0.453) 0.727 1.259 ( 0.000 0.767 1.065) 1.312 1.284 ( 0.000 -1.176 1.382) 1.815 1.301 ( 0.000 1.041 0.483) 1.147 1.308 ( 0.000 -1.646 2.462) 2.961 1.334 ( 0.000 0.393 -2.467) 2.498 1.372 ( 0.000 -3.539 2.486) 4.325 1.382 ( 0.000 -0.315 1.384) 1.419 1.418 ( 0.000 -3.138 -0.893) 3.262 1.418 ( 0.000 5.630 -4.132) 6.983 1.456 ( 0.000 -2.897 2.150) 3.608 1.462 ( 0.000 -3.082 -1.112) 3.276 1.473 ( 0.000 -2.261 -4.149) 4.725 1.493 ( 0.000 -1.908 -2.796) 3.385 1.536 ( 0.000 -0.141 -5.297) 5.299 1.536 ( 0.000 1.377 -3.895) 4.131 1.587 ( 0.000 0.353 -2.248) 2.276 1.589 ( 0.000 1.455 -4.951) 5.160 1.627 ( 0.000 2.752 -0.082) 2.753 1.631 ( 0.000 -0.729 -0.475) 0.870 1.659 ( 0.000 -2.669 -3.987) 4.798 1.661 ( 0.000 2.661 -1.511) 3.060 1.702 ( 0.000 -1.172 -5.099) 5.232 1.720 ( 0.000 1.449 0.073) 1.451 1.724 ( 0.000 0.032 -0.623) 0.624 1.755 ( 0.000 3.361 -4.689) 5.769 1.759 ( 0.000 -2.345 -2.558) 3.470 1.770 ( 0.000 1.917 -2.858) 3.442 1.790 ( 0.000 -0.354 -0.771) 0.849 1.842 ( 0.000 4.102 2.914) 5.032 1.852 ( 0.000 -1.606 -0.183) 1.616 1.866 ( 0.000 -0.874 2.924) 3.052 1.878 ( 0.000 1.450 2.759) 3.117 1.919 ( 0.000 1.018 0.914) 1.368 1.965 ( 0.000 -3.253 5.387) 6.293 1.980 ( 0.000 0.783 0.689) 1.044 1.986 ( 0.000 1.786 -1.445) 2.298 2.031 ( 0.000 1.129 4.235) 4.383 2.042 ( 0.000 -0.959 0.593) 1.128 2.080 ( 0.000 -0.626 1.161) 1.319 2.110 ( 0.000 -0.219 2.434) 2.444 2.124 ( 0.000 -1.352 -0.455) 1.426 2.126 ( 0.000 -0.222 -1.584) 1.600 2.153 ( 0.000 -0.232 -0.281) 0.365 2.156 ( 0.000 -3.207 0.722) 3.288 2.160 ( 0.000 -0.224 0.382) 0.443 2.194 ( 0.000 0.435 1.076) 1.161 2.212 ( 0.000 1.886 -1.416) 2.359 2.226 ( 0.000 -2.017 -2.635) 3.319 2.226 ( 0.000 -1.206 0.198) 1.223 2.240 ( 0.000 2.748 0.410) 2.779 2.305 ( 0.000 0.868 2.286) 2.445 2.326 ( 0.000 -0.706 2.136) 2.250 2.355 ( 0.000 2.262 -0.450) 2.306 2.366 ( 0.000 1.524 -3.580) 3.891 2.407 ( 0.000 1.223 0.113) 1.228 2.420 ( 0.000 -1.149 -1.848) 2.176 2.433 ( 0.000 -0.398 -0.530) 0.662 2.442 ( 0.000 -0.691 1.093) 1.293 2.451 ( 0.000 1.378 -1.687) 2.178 2.490 ( 0.000 -2.140 0.605) 2.224 2.498 ( 0.000 3.227 -0.473) 3.261 2.529 ( 0.000 -2.552 0.232) 2.562 2.534 ( 0.000 1.582 -2.322) 2.810 2.564 ( 0.000 0.041 2.499) 2.499 2.609 ( 0.000 -0.089 4.457) 4.458 2.622 ( 0.000 3.192 -0.071) 3.192 2.627 ( 0.000 0.966 1.396) 1.697 2.671 ( 0.000 -0.263 -2.313) 2.328 2.687 ( 0.000 -1.570 -0.419) 1.625 2.749 ( 0.000 1.754 -2.075) 2.717 2.753 ( 0.000 -0.298 1.129) 1.168 2.782 ( 0.000 -0.669 -2.201) 2.300 2.802 ( 0.000 -0.265 -1.023) 1.057 2.803 ( 0.000 -0.819 0.251) 0.857 2.825 ( 0.000 -0.929 -0.006) 0.929 2.857 ( 0.000 1.992 -0.375) 2.027 2.868 ( 0.000 0.600 2.807) 2.871 2.907 ( 0.000 3.148 -0.527) 3.192 2.923 ( 0.000 2.448 0.730) 2.554 2.942 ( 0.000 2.233 1.889) 2.925 2.953 ( 0.000 -0.269 0.613) 0.670 2.973 ( 0.000 2.392 2.595) 3.529 2.987 ( 0.000 -1.902 -2.857) 3.432 3.043 ( 0.000 -0.973 -0.220) 0.998 3.061 ( 0.000 -0.619 2.238) 2.322 3.071 ( 0.000 1.002 0.461) 1.103 3.107 ( 0.000 -0.611 -0.166) 0.633 3.113 ( 0.000 0.745 -2.208) 2.330 3.168 ( 0.000 1.496 -3.574) 3.874 3.200 ( 0.000 2.120 -1.586) 2.648 3.249 ( 0.000 -0.235 -6.129) 6.133 3.258 ( 0.000 -0.396 -2.674) 2.704 3.347 ( 0.000 -2.594 2.169) 3.382 3.358 ( 0.000 -2.286 0.647) 2.376 3.368 ( 0.000 -0.121 0.665) 0.676 3.381 ( 0.000 -1.203 -0.244) 1.228 3.426 ( 0.000 -0.666 -0.635) 0.920 3.440 ( 0.000 0.672 -1.008) 1.211 3.449 ( 0.000 -2.606 2.358) 3.515 3.477 ( 0.000 -1.795 -0.594) 1.890 3.518 ( 0.000 -0.951 1.130) 1.477 3.574 ( 0.000 -0.517 -0.195) 0.552 3.580 ( 0.000 1.356 -0.547) 1.462 3.600 ( 0.000 -2.446 -0.203) 2.455 3.767 ( 0.000 1.328 3.242) 3.504 3.781 ( 0.000 -0.221 4.577) 4.583 3.902 ( 0.000 0.903 0.569) 1.068 3.942 ( 0.000 -0.428 0.955) 1.047 3.986 ( 0.000 3.498 1.092) 3.665 4.031 ( 0.000 0.659 -3.121) 3.190 4.083 ( 0.000 -0.718 -1.065) 1.285 4.138 ( 0.000 -1.978 -2.354) 3.075 4.212 ( 0.000 1.375 3.758) 4.002 4.275 ( 0.000 -1.595 3.511) 3.856 4.342 ( 0.000 1.401 -2.367) 2.751 4.353 ( 0.000 0.848 0.634) 1.059 4.368 ( 0.000 -0.076 -0.666) 0.670 4.394 ( 0.000 -0.457 0.435) 0.631 4.399 ( 0.000 -0.834 0.163) 0.849 4.422 ( 0.000 -1.180 -1.914) 2.248 4.729 ( 0.000 0.451 1.279) 1.356 4.760 ( 0.000 -0.580 1.349) 1.469 4.801 ( 0.000 1.231 -2.286) 2.597 4.837 ( 0.000 -0.894 -1.761) 1.975 4.994 ( 0.000 2.060 -0.141) 2.065 5.007 ( 0.000 2.918 -0.354) 2.939 5.079 ( 0.000 -1.516 0.134) 1.522 5.110 ( 0.000 -0.949 -1.396) 1.688 5.163 ( 0.000 0.183 0.511) 0.543 5.172 ( 0.000 0.790 -0.066) 0.793 5.176 ( 0.000 -0.114 0.615) 0.625 5.212 ( 0.000 -0.891 -0.774) 1.180 5.213 ( 0.000 0.909 1.547) 1.794 5.269 ( 0.000 -1.202 2.157) 2.469 5.271 ( 0.000 2.610 -0.935) 2.773 5.366 ( 0.000 -1.588 -1.671) 2.306 5.444 ( 0.000 1.383 0.625) 1.518 5.475 ( 0.000 -0.062 -0.336) 0.342 5.484 ( 0.000 -0.040 -0.688) 0.689 5.490 ( 0.000 -0.127 -1.140) 1.147 5.504 ( 0.000 0.291 0.262) 0.391 5.517 ( 0.000 1.542 -0.415) 1.597 5.544 ( 0.000 -1.487 1.762) 2.306 5.608 ( 0.000 -2.204 -0.930) 2.392 5.896 ( 0.000 0.429 0.962) 1.054 5.915 ( 0.000 -0.295 2.168) 2.188 5.926 ( 0.000 0.888 0.079) 0.892 5.969 ( 0.000 -0.892 0.475) 1.011 5.994 ( 0.000 0.605 5.669) 5.702 6.065 ( 0.000 -2.236 -0.925) 2.420 6.073 ( 0.000 0.381 0.738) 0.831 6.114 ( 0.000 0.279 -3.191) 3.203 6.120 ( 0.000 0.090 -3.673) 3.674 6.214 ( 0.000 -10.949 12.280) 16.452 6.264 ( 0.000 0.891 0.500) 1.022 6.280 ( 0.000 -0.618 3.214) 3.273 6.329 ( 0.000 1.676 -1.589) 2.309 6.343 ( 0.000 1.373 0.943) 1.665 6.357 ( 0.000 -0.241 1.658) 1.675 6.363 ( 0.000 0.076 0.537) 0.542 6.386 ( 0.000 -0.056 2.096) 2.097 6.412 ( 0.000 -0.902 3.670) 3.780 6.438 ( 0.000 0.369 1.795) 1.833 6.460 ( 0.000 -1.172 1.062) 1.582 6.480 ( 0.000 -3.145 -0.823) 3.251 6.503 ( 0.000 -1.668 0.236) 1.685 6.549 ( 0.000 0.074 -0.554) 0.559 6.550 ( 0.000 0.513 -2.749) 2.796 6.574 ( 0.000 0.963 -1.187) 1.528 6.581 ( 0.000 0.036 -0.763) 0.764 6.604 ( 0.000 -0.418 -2.467) 2.503 6.644 ( 0.000 0.954 1.383) 1.680 6.661 ( 0.000 -2.131 0.815) 2.281 6.667 ( 0.000 -0.410 -1.064) 1.140 6.722 ( 0.000 -1.069 -0.736) 1.298 6.739 ( 0.000 -1.413 -2.056) 2.495 7.566 ( 0.000 0.557 0.497) 0.747 7.574 ( 0.000 0.070 0.807) 0.810 7.611 ( 0.000 0.310 0.899) 0.951 7.622 ( 0.000 0.611 -0.433) 0.749 7.624 ( 0.000 -0.259 -0.907) 0.943 7.645 ( 0.000 -0.528 0.489) 0.719 7.670 ( 0.000 -0.121 -0.806) 0.815 7.680 ( 0.000 -0.555 -0.690) 0.885 7.729 ( 0.000 0.946 0.318) 0.998 7.747 ( 0.000 1.108 -0.383) 1.173 7.767 ( 0.000 -0.730 0.607) 0.950 7.799 ( 0.000 -1.191 -0.711) 1.387 7.885 ( 0.000 1.710 -0.073) 1.712 7.933 ( 0.000 -0.518 1.518) 1.604 7.977 ( 0.000 6.005 -6.766) 9.047 8.029 ( 0.000 0.055 -2.313) 2.313 ======================= Grid point 31 (14/27) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 6.204 4.540 10.923) 13.357 0.498 ( 8.878 6.107 5.472) 12.085 0.716 ( 0.953 -5.846 5.233) 7.903 0.746 ( 3.477 -3.802 0.018) 5.153 0.767 ( 1.908 -0.408 0.167) 1.958 0.846 ( -3.082 -2.372 -1.610) 4.209 0.864 ( -5.938 -0.619 0.408) 5.985 0.868 ( 3.984 2.339 5.363) 7.078 0.904 ( 1.074 -1.604 0.843) 2.107 0.922 ( -0.383 -2.791 0.603) 2.880 0.943 ( -3.629 -0.535 0.775) 3.749 0.963 ( 0.318 1.124 2.395) 2.664 0.985 ( -1.591 -0.536 0.236) 1.696 1.000 ( -1.009 0.023 1.702) 1.979 1.022 ( -2.363 -3.013 -1.067) 3.975 1.072 ( -2.896 -2.467 0.392) 3.825 1.091 ( 0.050 -1.298 -0.122) 1.305 1.125 ( 0.552 -3.456 -0.061) 3.500 1.145 ( 1.727 -3.098 4.438) 5.681 1.164 ( 0.193 0.717 0.345) 0.819 1.179 ( 0.761 -2.797 2.754) 3.999 1.226 ( 1.403 0.309 2.792) 3.140 1.241 ( -0.958 -0.704 2.589) 2.848 1.260 ( 4.780 1.694 2.470) 5.641 1.287 ( 1.348 1.005 1.786) 2.453 1.304 ( 3.044 -0.063 0.150) 3.048 1.313 ( 1.537 -1.719 1.002) 2.515 1.344 ( 1.843 -0.444 -2.361) 3.028 1.353 ( 1.324 2.317 -2.846) 3.901 1.365 ( 0.138 -1.694 1.341) 2.165 1.381 ( 0.720 -0.324 -0.666) 1.033 1.409 ( 0.508 -0.144 -0.026) 0.529 1.425 ( -0.424 -0.414 -0.449) 0.743 1.450 ( 0.106 -1.659 1.381) 2.161 1.502 ( 3.309 0.315 0.584) 3.375 1.517 ( 1.415 -0.615 -4.771) 5.014 1.533 ( 2.763 -0.005 -2.737) 3.889 1.535 ( 2.824 1.305 -2.270) 3.851 1.561 ( -0.574 1.818 -3.535) 4.016 1.601 ( 1.250 0.188 -3.828) 4.032 1.620 ( -0.936 1.401 -2.392) 2.926 1.638 ( 1.708 -0.939 -0.933) 2.161 1.651 ( 0.848 2.501 0.845) 2.773 1.666 ( -0.998 0.962 -4.392) 4.606 1.679 ( 0.259 -0.655 -1.732) 1.869 1.684 ( -0.831 0.366 -1.403) 1.671 1.710 ( 3.458 -0.801 -2.878) 4.570 1.733 ( 0.794 1.547 1.620) 2.377 1.766 ( 1.674 -0.726 -0.666) 1.943 1.793 ( 1.130 3.025 -2.169) 3.890 1.820 ( 1.751 -0.038 -1.578) 2.357 1.827 ( 2.286 0.738 2.235) 3.281 1.840 ( -2.283 0.403 3.694) 4.361 1.861 ( 2.910 -0.085 -0.929) 3.056 1.901 ( 2.794 0.025 2.098) 3.494 1.904 ( 3.833 1.153 0.450) 4.027 1.928 ( 1.209 0.213 2.296) 2.604 1.942 ( -0.449 0.353 2.086) 2.162 1.964 ( 1.351 0.643 0.080) 1.499 2.008 ( 1.851 1.186 0.596) 2.278 2.041 ( 2.009 -1.889 0.111) 2.760 2.057 ( -1.020 -1.038 -2.076) 2.535 2.068 ( -0.017 -0.675 2.366) 2.460 2.088 ( -1.661 0.792 0.182) 1.849 2.123 ( -0.843 -1.876 -1.695) 2.665 2.130 ( -1.227 -1.028 -0.090) 1.603 2.148 ( -0.271 0.238 -0.670) 0.761 2.153 ( -0.544 -2.144 0.539) 2.277 2.183 ( -0.120 -0.886 0.747) 1.165 2.198 ( 1.995 0.595 0.974) 2.299 2.220 ( 1.727 -2.307 1.403) 3.205 2.233 ( 1.295 2.082 -2.891) 3.790 2.258 ( 0.704 1.176 0.806) 1.590 2.267 ( 1.931 -1.826 2.535) 3.673 2.287 ( -0.346 1.823 0.263) 1.874 2.321 ( -0.313 -0.483 1.657) 1.754 2.351 ( -1.411 2.520 -0.673) 2.966 2.377 ( 0.236 0.541 -2.056) 2.139 2.381 ( -1.021 0.534 -1.057) 1.564 2.406 ( 1.480 2.566 0.018) 2.963 2.433 ( 0.956 -1.161 -0.750) 1.680 2.445 ( 0.497 -0.718 -0.253) 0.910 2.481 ( -0.588 -1.357 0.739) 1.653 2.491 ( 1.639 -1.098 0.299) 1.995 2.496 ( 0.295 1.609 -1.722) 2.375 2.545 ( 3.600 -0.044 1.930) 4.085 2.570 ( -0.156 1.929 0.109) 1.939 2.586 ( -0.711 -0.682 -1.570) 1.853 2.599 ( 1.953 -0.237 1.239) 2.325 2.605 ( -1.251 -0.868 1.428) 2.087 2.626 ( -0.918 1.525 -1.889) 2.595 2.655 ( -1.299 1.227 0.091) 1.789 2.676 ( -0.889 -0.867 -0.373) 1.297 2.720 ( -2.064 1.750 0.133) 2.709 2.743 ( -2.726 -1.419 -1.906) 3.617 2.761 ( -1.412 0.171 1.669) 2.193 2.766 ( -3.604 -0.612 -0.259) 3.665 2.773 ( -3.167 -0.439 0.449) 3.229 2.811 ( -3.157 -1.057 0.749) 3.412 2.824 ( -1.668 0.445 -1.648) 2.387 2.847 ( -4.133 -0.179 2.274) 4.721 2.862 ( -1.842 1.621 0.333) 2.476 2.880 ( -1.110 2.446 0.143) 2.690 2.901 ( -1.880 2.015 0.253) 2.767 2.909 ( -1.356 1.137 -0.237) 1.786 2.970 ( -4.581 2.344 1.630) 5.398 2.980 ( 0.213 -1.434 -3.209) 3.521 3.013 ( -3.351 -2.248 -1.339) 4.252 3.056 ( 0.018 0.856 0.742) 1.133 3.069 ( 0.996 -0.381 1.269) 1.658 3.102 ( -0.649 2.985 -1.414) 3.366 3.128 ( 4.181 0.673 0.410) 4.255 3.161 ( -3.054 -0.096 -1.075) 3.239 3.191 ( -1.319 0.033 -3.208) 3.469 3.203 ( 1.520 -0.865 -3.436) 3.856 3.222 ( -2.399 -0.814 0.431) 2.570 3.265 ( -5.609 -0.594 1.446) 5.822 3.302 ( -5.123 -1.985 -0.142) 5.496 3.339 ( -1.956 0.082 -1.154) 2.272 3.374 ( -3.877 -0.607 -2.502) 4.654 3.402 ( -0.166 0.003 1.775) 1.783 3.435 ( -1.339 -0.630 1.760) 2.300 3.443 ( -0.726 0.210 1.676) 1.839 3.468 ( -0.091 0.436 0.117) 0.460 3.481 ( -1.808 0.712 0.826) 2.111 3.532 ( -2.695 0.620 0.308) 2.783 3.542 ( -1.601 -1.555 -0.072) 2.233 3.569 ( -2.635 -1.959 -0.516) 3.324 3.795 ( 2.313 1.025 3.018) 3.939 3.816 ( 2.722 -0.445 4.535) 5.307 3.893 ( -1.128 0.399 2.163) 2.472 3.915 ( -1.882 -0.059 1.850) 2.639 3.980 ( -0.341 4.028 0.193) 4.047 4.006 ( -1.969 3.455 -0.704) 4.038 4.064 ( 1.576 -0.067 -4.135) 4.425 4.128 ( -0.920 -1.855 -2.299) 3.094 4.244 ( 2.914 0.775 2.643) 4.010 4.298 ( 2.321 -1.486 2.801) 3.929 4.345 ( 0.325 1.179 -1.752) 2.136 4.373 ( -0.173 0.222 -0.066) 0.289 4.378 ( -1.163 -0.699 0.021) 1.357 4.395 ( -0.336 -0.370 -0.034) 0.500 4.411 ( 0.355 -1.548 -1.429) 2.137 4.416 ( -0.004 -1.012 -1.316) 1.661 4.814 ( 6.582 0.474 0.727) 6.639 4.849 ( 7.035 -1.024 0.869) 7.162 4.859 ( 5.219 0.687 -1.140) 5.386 4.895 ( 4.837 -1.150 -0.925) 5.057 4.994 ( -0.581 2.195 0.139) 2.275 5.015 ( 1.026 1.651 -0.390) 1.983 5.075 ( -0.432 -1.401 0.026) 1.467 5.092 ( -1.742 -1.282 -0.735) 2.284 5.131 ( -2.870 0.162 0.767) 2.976 5.144 ( -2.912 0.126 0.853) 3.037 5.176 ( -2.061 0.136 -1.151) 2.364 5.178 ( -2.350 0.036 -1.338) 2.704 5.229 ( 1.487 0.935 0.495) 1.825 5.260 ( 0.313 1.115 -0.481) 1.254 5.281 ( -0.026 0.252 0.417) 0.488 5.335 ( -2.430 -0.750 -1.354) 2.881 5.449 ( 0.249 0.749 0.792) 1.118 5.473 ( -0.370 -0.049 -0.215) 0.431 5.476 ( -0.492 -0.024 -0.256) 0.555 5.492 ( -0.454 -0.514 -0.381) 0.784 5.500 ( 0.788 0.373 0.289) 0.918 5.521 ( 0.474 1.005 -0.881) 1.418 5.538 ( -0.322 -0.995 0.468) 1.146 5.583 ( -1.743 -1.458 -1.217) 2.578 5.906 ( 1.262 0.179 3.501) 3.725 5.917 ( 1.273 -0.179 2.284) 2.621 5.972 ( -1.303 0.442 4.861) 5.052 6.003 ( -0.402 -0.474 4.555) 4.597 6.023 ( 4.207 0.553 0.720) 4.303 6.086 ( 3.437 -1.377 -2.710) 4.589 6.108 ( 1.822 -0.200 -1.421) 2.320 6.125 ( 0.785 -0.377 -2.756) 2.890 6.172 ( 4.692 -0.158 -0.727) 4.750 6.205 ( 2.332 -2.502 0.852) 3.525 6.254 ( -0.834 0.621 -1.334) 1.692 6.282 ( -0.298 -0.269 1.201) 1.267 6.300 ( -2.493 1.375 -0.032) 2.848 6.330 ( -1.990 0.609 -0.539) 2.150 6.342 ( -1.544 -0.575 0.893) 1.874 6.363 ( -0.939 -0.247 -0.154) 0.983 6.391 ( 1.086 0.090 0.926) 1.430 6.419 ( 0.129 -0.425 2.862) 2.896 6.432 ( -1.533 -0.694 0.390) 1.728 6.444 ( -1.083 -0.509 -0.020) 1.197 6.461 ( -0.141 -1.268 1.318) 1.835 6.479 ( -1.476 -1.361 0.134) 2.013 6.530 ( -1.417 0.375 -0.803) 1.671 6.547 ( -2.850 -0.467 0.524) 2.936 6.586 ( 1.632 0.830 -1.268) 2.227 6.605 ( -0.112 -0.035 2.422) 2.424 6.612 ( 1.936 0.047 -1.521) 2.463 6.670 ( 2.660 -1.241 1.042) 3.115 6.695 ( -0.392 -1.237 -0.844) 1.549 6.696 ( 4.586 -5.527 -0.958) 7.246 6.722 ( 1.486 -1.259 -1.480) 2.446 6.781 ( 1.999 -2.754 -2.361) 4.141 7.567 ( 0.204 0.470 0.688) 0.858 7.576 ( 0.277 -0.025 0.904) 0.946 7.597 ( -1.042 0.314 1.477) 1.834 7.616 ( -1.424 -0.552 0.951) 1.799 7.623 ( 0.361 0.391 -1.073) 1.198 7.632 ( 0.285 -0.096 -1.087) 1.127 7.659 ( -0.868 -0.048 -1.024) 1.343 7.668 ( -0.935 -0.481 -0.951) 1.418 7.763 ( 2.416 1.175 0.116) 2.689 7.772 ( 2.339 1.622 -0.205) 2.853 7.817 ( 3.176 -1.108 0.025) 3.364 7.824 ( 2.673 -0.758 -0.367) 2.802 7.866 ( -1.678 1.645 -0.053) 2.350 7.914 ( -1.874 -0.024 0.906) 2.082 7.921 ( -3.662 4.965 -2.779) 6.766 7.996 ( -2.930 -0.310 -1.981) 3.550 ======================= Grid point 32 (15/27) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -11.240 0.084 5.331) 12.440 0.638 ( 11.240 0.084 5.331) 12.440 0.701 ( -7.589 2.248 -1.442) 8.045 0.701 ( 7.589 2.248 -1.442) 8.045 0.772 ( -2.341 -4.228 0.843) 4.906 0.772 ( 2.341 -4.228 0.843) 4.906 0.851 ( -2.938 -0.820 2.367) 3.861 0.851 ( 2.938 -0.820 2.367) 3.861 0.896 ( -3.411 -4.990 2.552) 6.561 0.896 ( 3.411 -4.990 2.552) 6.561 0.926 ( -1.170 1.146 -2.280) 2.807 0.926 ( 1.170 1.146 -2.280) 2.807 0.989 ( -1.344 -4.031 -0.325) 4.262 0.989 ( 1.344 -4.031 -0.325) 4.262 1.047 ( -3.263 -3.716 -2.732) 5.650 1.047 ( 3.263 -3.716 -2.732) 5.650 1.111 ( -3.592 0.534 2.947) 4.676 1.111 ( 3.592 0.534 2.947) 4.676 1.176 ( -1.460 -2.435 5.156) 5.886 1.176 ( 1.460 -2.435 5.156) 5.886 1.189 ( -4.477 1.890 1.740) 5.162 1.189 ( 4.477 1.890 1.740) 5.162 1.249 ( -1.672 -0.157 1.890) 2.528 1.249 ( 1.672 -0.157 1.890) 2.528 1.334 ( -0.767 -2.067 2.253) 3.152 1.334 ( 0.767 -2.067 2.253) 3.152 1.353 ( -1.339 -2.574 -0.941) 3.050 1.353 ( 1.339 -2.574 -0.941) 3.050 1.383 ( -1.426 0.867 -0.667) 1.797 1.383 ( 1.426 0.867 -0.667) 1.797 1.410 ( -2.414 3.161 -1.142) 4.138 1.410 ( 2.414 3.161 -1.142) 4.138 1.467 ( -2.908 -1.831 -0.720) 3.511 1.467 ( 2.908 -1.831 -0.720) 3.511 1.534 ( -3.924 0.767 0.003) 3.998 1.534 ( 3.924 0.767 0.003) 3.998 1.562 ( -1.244 1.630 0.300) 2.073 1.562 ( 1.244 1.630 0.300) 2.073 1.593 ( -3.399 1.985 -2.286) 4.552 1.593 ( 3.399 1.985 -2.286) 4.552 1.615 ( -3.683 0.680 -1.218) 3.939 1.615 ( 3.683 0.680 -1.218) 3.939 1.641 ( -0.847 1.278 -2.813) 3.203 1.641 ( 0.847 1.278 -2.813) 3.203 1.695 ( -1.960 1.591 0.607) 2.597 1.695 ( 1.960 1.591 0.607) 2.597 1.745 ( -1.803 1.022 -0.753) 2.205 1.745 ( 1.803 1.022 -0.753) 2.205 1.769 ( -1.381 0.918 -0.306) 1.686 1.769 ( 1.381 0.918 -0.306) 1.686 1.843 ( -1.554 -0.594 1.040) 1.962 1.843 ( 1.554 -0.594 1.040) 1.962 1.890 ( -2.411 1.977 0.775) 3.213 1.890 ( 2.411 1.977 0.775) 3.213 1.948 ( -2.438 -2.882 -1.565) 4.087 1.948 ( 2.438 -2.882 -1.565) 4.087 1.979 ( -3.397 -0.298 0.298) 3.423 1.979 ( 3.397 -0.298 0.298) 3.423 2.005 ( -1.478 0.128 -0.523) 1.573 2.005 ( 1.478 0.128 -0.523) 1.573 2.052 ( -1.138 1.889 1.991) 2.971 2.052 ( 1.138 1.889 1.991) 2.971 2.078 ( -3.230 -0.928 0.164) 3.365 2.078 ( 3.230 -0.928 0.164) 3.365 2.098 ( -1.425 -1.052 -2.028) 2.693 2.098 ( 1.425 -1.052 -2.028) 2.693 2.158 ( -2.787 -2.112 0.794) 3.586 2.158 ( 2.787 -2.112 0.794) 3.586 2.198 ( -4.448 1.459 1.854) 5.035 2.198 ( 4.448 1.459 1.854) 5.035 2.239 ( -1.051 1.431 1.161) 2.121 2.239 ( 1.051 1.431 1.161) 2.121 2.270 ( -1.504 1.427 -1.433) 2.520 2.270 ( 1.504 1.427 -1.433) 2.520 2.305 ( -2.859 -0.287 1.269) 3.141 2.305 ( 2.859 -0.287 1.269) 3.141 2.345 ( -1.895 1.431 0.797) 2.505 2.345 ( 1.895 1.431 0.797) 2.505 2.421 ( -2.587 -2.263 -0.671) 3.502 2.421 ( 2.587 -2.263 -0.671) 3.502 2.462 ( -2.032 0.968 -0.719) 2.363 2.462 ( 2.032 0.968 -0.719) 2.363 2.499 ( -2.794 -1.684 -0.774) 3.353 2.499 ( 2.794 -1.684 -0.774) 3.353 2.541 ( -2.859 1.356 0.452) 3.197 2.541 ( 2.859 1.356 0.452) 3.197 2.561 ( -1.842 -1.358 -1.769) 2.892 2.561 ( 1.842 -1.358 -1.769) 2.892 2.611 ( -2.410 -0.042 -1.463) 2.819 2.611 ( 2.410 -0.042 -1.463) 2.819 2.645 ( -0.711 0.222 1.463) 1.642 2.645 ( 0.711 0.222 1.463) 1.642 2.674 ( -1.661 1.821 -0.610) 2.539 2.674 ( 1.661 1.821 -0.610) 2.539 2.689 ( -3.612 -1.086 1.512) 4.064 2.689 ( 3.612 -1.086 1.512) 4.064 2.718 ( -1.515 0.008 1.505) 2.136 2.718 ( 1.515 0.008 1.505) 2.136 2.762 ( -2.514 -0.950 -0.800) 2.804 2.762 ( 2.514 -0.950 -0.800) 2.804 2.819 ( -2.754 -0.411 -0.673) 2.865 2.819 ( 2.754 -0.411 -0.673) 2.865 2.858 ( -1.384 0.057 0.653) 1.531 2.858 ( 1.384 0.057 0.653) 1.531 2.913 ( -1.723 1.999 -1.942) 3.276 2.913 ( 1.723 1.999 -1.942) 3.276 2.982 ( -0.598 -1.434 -1.164) 1.941 2.982 ( 0.598 -1.434 -1.164) 1.941 3.095 ( -2.091 2.263 -0.800) 3.183 3.095 ( 2.091 2.263 -0.800) 3.183 3.123 ( -1.173 -0.209 0.227) 1.213 3.123 ( 1.173 -0.209 0.227) 1.213 3.146 ( -2.945 1.117 -0.146) 3.153 3.146 ( 2.945 1.117 -0.146) 3.153 3.198 ( -1.128 -0.986 1.154) 1.891 3.198 ( 1.128 -0.986 1.154) 1.891 3.252 ( -4.941 -0.113 -0.946) 5.032 3.252 ( 4.941 -0.113 -0.946) 5.032 3.281 ( -3.571 -0.681 -2.057) 4.177 3.281 ( 3.571 -0.681 -2.057) 4.177 3.412 ( -1.363 0.800 2.175) 2.689 3.412 ( 1.363 0.800 2.175) 2.689 3.438 ( -1.428 0.633 1.296) 2.030 3.438 ( 1.428 0.633 1.296) 2.030 3.503 ( -2.021 -1.001 -0.655) 2.349 3.503 ( 2.021 -1.001 -0.655) 2.349 3.518 ( -0.451 -0.716 -0.548) 1.009 3.518 ( 0.451 -0.716 -0.548) 1.009 3.849 ( -2.357 0.705 2.523) 3.524 3.849 ( 2.357 0.705 2.523) 3.524 3.875 ( -2.242 -0.759 4.059) 4.698 3.875 ( 2.242 -0.759 4.059) 4.698 3.981 ( -0.534 4.557 -1.374) 4.789 3.981 ( 0.534 4.557 -1.374) 4.789 4.102 ( -1.544 -1.231 -3.210) 3.769 4.102 ( 1.544 -1.231 -3.210) 3.769 4.319 ( -3.397 0.073 1.006) 3.544 4.319 ( 3.397 0.073 1.006) 3.544 4.354 ( -1.000 -0.485 0.062) 1.113 4.354 ( 1.000 -0.485 0.062) 1.113 4.373 ( -1.400 -0.230 0.040) 1.419 4.373 ( 1.400 -0.230 0.040) 1.419 4.406 ( -0.359 -0.636 -0.776) 1.066 4.406 ( 0.359 -0.636 -0.776) 1.066 4.942 ( -3.824 0.589 0.835) 3.959 4.942 ( 3.824 0.589 0.835) 3.959 4.981 ( -3.458 -0.452 -0.442) 3.515 4.981 ( 3.458 -0.452 -0.442) 3.515 5.011 ( -4.583 -1.286 -0.072) 4.760 5.011 ( 4.583 -1.286 -0.072) 4.760 5.023 ( -4.715 -0.902 -0.284) 4.809 5.023 ( 4.715 -0.902 -0.284) 4.809 5.105 ( -2.451 1.450 0.071) 2.849 5.105 ( 2.451 1.450 0.071) 2.849 5.123 ( -2.158 0.431 -0.872) 2.367 5.123 ( 2.158 0.431 -0.872) 2.367 5.271 ( -0.289 0.683 -0.322) 0.809 5.271 ( 0.289 0.683 -0.322) 0.809 5.278 ( -2.113 0.506 -0.528) 2.236 5.278 ( 2.113 0.506 -0.528) 2.236 5.457 ( -0.607 0.353 0.580) 0.911 5.457 ( 0.607 0.353 0.580) 0.911 5.479 ( -0.484 -0.520 0.021) 0.710 5.479 ( 0.484 -0.520 0.021) 0.710 5.530 ( -0.264 -0.107 -0.718) 0.773 5.530 ( 0.264 -0.107 -0.718) 0.773 5.540 ( -2.067 -0.394 -0.737) 2.229 5.540 ( 2.067 -0.394 -0.737) 2.229 5.942 ( -1.105 -0.188 3.836) 3.996 5.942 ( 1.105 -0.188 3.836) 3.996 5.951 ( -2.648 -0.562 5.519) 6.147 5.951 ( 2.648 -0.562 5.519) 6.147 6.106 ( -2.207 1.268 -0.270) 2.560 6.106 ( 2.207 1.268 -0.270) 2.560 6.149 ( -0.599 -0.353 -3.115) 3.192 6.149 ( 0.599 -0.353 -3.115) 3.192 6.233 ( -1.943 0.421 -0.356) 2.020 6.233 ( 1.943 0.421 -0.356) 2.020 6.265 ( -1.453 -0.321 -1.583) 2.173 6.265 ( 1.453 -0.321 -1.583) 2.173 6.291 ( -1.769 0.327 -1.933) 2.641 6.291 ( 1.769 0.327 -1.933) 2.641 6.319 ( -3.421 -0.828 -2.350) 4.232 6.319 ( 3.421 -0.828 -2.350) 4.232 6.406 ( -0.703 0.276 2.632) 2.739 6.406 ( 0.703 0.276 2.632) 2.739 6.422 ( -1.474 -0.265 2.324) 2.765 6.422 ( 1.474 -0.265 2.324) 2.765 6.482 ( -0.787 -0.429 0.918) 1.283 6.482 ( 0.787 -0.429 0.918) 1.283 6.492 ( -0.513 -0.395 0.368) 0.745 6.492 ( 0.513 -0.395 0.368) 0.745 6.605 ( -0.186 1.083 0.795) 1.356 6.605 ( 0.186 1.083 0.795) 1.356 6.661 ( -2.067 -0.746 -1.295) 2.551 6.661 ( 2.067 -0.746 -1.295) 2.551 6.715 ( -1.559 -0.974 -0.029) 1.839 6.715 ( 1.559 -0.974 -0.029) 1.839 6.789 ( -1.769 -5.782 -2.450) 6.524 6.789 ( 1.769 -5.782 -2.450) 6.524 7.577 ( -0.741 0.306 1.161) 1.411 7.577 ( 0.741 0.306 1.161) 1.411 7.589 ( -0.909 -0.237 1.086) 1.436 7.589 ( 0.909 -0.237 1.086) 1.436 7.638 ( -0.875 0.166 -1.183) 1.481 7.638 ( 0.875 0.166 -1.183) 1.481 7.647 ( -0.885 -0.314 -1.138) 1.476 7.647 ( 0.885 -0.314 -1.138) 1.476 7.817 ( -2.561 1.646 0.057) 3.045 7.817 ( 2.561 1.646 0.057) 3.045 7.838 ( -3.454 3.098 -0.719) 4.695 7.838 ( 3.454 3.098 -0.719) 4.695 7.871 ( -2.354 -0.861 0.579) 2.573 7.871 ( 2.354 -0.861 0.579) 2.573 7.914 ( -4.377 -0.745 -1.092) 4.572 7.914 ( 4.377 -0.745 -1.092) 4.572 ======================= Grid point 35 (16/27) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 0.000 -6.753 5.483) 8.699 0.525 ( 0.000 6.753 5.483) 8.699 0.593 ( 0.000 -5.309 8.113) 9.696 0.593 ( 0.000 5.309 8.113) 9.696 0.794 ( 0.000 -2.917 -5.386) 6.125 0.794 ( 0.000 2.917 -5.386) 6.125 0.899 ( 0.000 -2.173 -0.154) 2.178 0.899 ( 0.000 2.173 -0.154) 2.178 0.919 ( 0.000 -4.404 6.741) 8.052 0.919 ( 0.000 4.404 6.741) 8.052 0.951 ( 0.000 -1.299 0.572) 1.419 0.951 ( 0.000 1.299 0.572) 1.419 1.019 ( 0.000 -3.451 6.115) 7.022 1.019 ( 0.000 3.451 6.115) 7.022 1.048 ( 0.000 -2.351 2.643) 3.537 1.048 ( 0.000 2.351 2.643) 3.537 1.099 ( 0.000 -0.594 3.785) 3.831 1.099 ( 0.000 0.594 3.785) 3.831 1.135 ( 0.000 -2.437 -3.045) 3.900 1.135 ( 0.000 2.437 -3.045) 3.900 1.150 ( 0.000 -0.476 2.356) 2.403 1.150 ( 0.000 0.476 2.356) 2.403 1.226 ( 0.000 -0.932 -2.297) 2.479 1.226 ( 0.000 0.932 -2.297) 2.479 1.270 ( 0.000 -1.676 0.974) 1.939 1.270 ( 0.000 1.676 0.974) 1.939 1.306 ( 0.000 -2.504 2.457) 3.508 1.306 ( 0.000 2.504 2.457) 3.508 1.332 ( 0.000 -1.544 -0.498) 1.622 1.332 ( 0.000 1.544 -0.498) 1.622 1.385 ( 0.000 -1.017 2.097) 2.331 1.385 ( 0.000 1.017 2.097) 2.331 1.418 ( 0.000 -0.161 -0.609) 0.630 1.418 ( 0.000 0.161 -0.609) 0.630 1.461 ( 0.000 -0.764 -4.463) 4.528 1.461 ( 0.000 0.764 -4.463) 4.528 1.504 ( 0.000 -3.507 -3.028) 4.634 1.504 ( 0.000 3.507 -3.028) 4.634 1.585 ( 0.000 -4.730 -5.224) 7.047 1.585 ( 0.000 4.730 -5.224) 7.047 1.599 ( 0.000 -0.751 -2.226) 2.350 1.599 ( 0.000 0.751 -2.226) 2.350 1.645 ( 0.000 -0.996 -1.074) 1.465 1.645 ( 0.000 0.996 -1.074) 1.465 1.689 ( 0.000 -0.662 0.789) 1.029 1.689 ( 0.000 0.662 0.789) 1.029 1.723 ( 0.000 -0.647 -2.768) 2.843 1.723 ( 0.000 0.647 -2.768) 2.843 1.758 ( 0.000 -2.136 -1.258) 2.479 1.758 ( 0.000 2.136 -1.258) 2.479 1.776 ( 0.000 -0.044 -3.860) 3.861 1.776 ( 0.000 0.044 -3.860) 3.861 1.867 ( 0.000 -1.084 1.550) 1.892 1.867 ( 0.000 1.084 1.550) 1.892 1.896 ( 0.000 -0.875 2.481) 2.631 1.896 ( 0.000 0.875 2.481) 2.631 1.931 ( 0.000 -0.412 0.316) 0.520 1.931 ( 0.000 0.412 0.316) 0.520 1.992 ( 0.000 -0.818 2.107) 2.260 1.992 ( 0.000 0.818 2.107) 2.260 2.032 ( 0.000 -0.027 -1.223) 1.223 2.032 ( 0.000 0.027 -1.223) 1.223 2.091 ( 0.000 -1.720 -0.317) 1.749 2.091 ( 0.000 1.720 -0.317) 1.749 2.113 ( 0.000 -0.757 1.557) 1.731 2.113 ( 0.000 0.757 1.557) 1.731 2.147 ( 0.000 -0.509 0.854) 0.995 2.147 ( 0.000 0.509 0.854) 0.995 2.178 ( 0.000 -1.319 -0.851) 1.570 2.178 ( 0.000 1.319 -0.851) 1.570 2.207 ( 0.000 -0.097 -0.217) 0.237 2.207 ( 0.000 0.097 -0.217) 0.237 2.254 ( 0.000 -1.208 -0.810) 1.454 2.254 ( 0.000 1.208 -0.810) 1.454 2.326 ( 0.000 -0.553 0.998) 1.141 2.326 ( 0.000 0.553 0.998) 1.141 2.372 ( 0.000 -0.455 -1.835) 1.891 2.372 ( 0.000 0.455 -1.835) 1.891 2.404 ( 0.000 -0.015 0.972) 0.972 2.404 ( 0.000 0.015 0.972) 0.972 2.437 ( 0.000 -0.164 -0.359) 0.395 2.437 ( 0.000 0.164 -0.359) 0.395 2.449 ( 0.000 -0.255 0.017) 0.256 2.449 ( 0.000 0.255 0.017) 0.256 2.530 ( 0.000 -0.456 -0.070) 0.461 2.530 ( 0.000 0.456 -0.070) 0.461 2.567 ( 0.000 -0.678 0.178) 0.702 2.567 ( 0.000 0.678 0.178) 0.702 2.609 ( 0.000 -1.338 3.740) 3.972 2.609 ( 0.000 1.338 3.740) 3.972 2.660 ( 0.000 -1.624 0.002) 1.624 2.660 ( 0.000 1.624 0.002) 1.624 2.722 ( 0.000 -3.447 1.911) 3.942 2.722 ( 0.000 3.447 1.911) 3.942 2.764 ( 0.000 -0.444 -3.850) 3.876 2.764 ( 0.000 0.444 -3.850) 3.876 2.808 ( 0.000 -0.289 -1.007) 1.048 2.808 ( 0.000 0.289 -1.007) 1.048 2.854 ( 0.000 -2.577 0.774) 2.690 2.854 ( 0.000 2.577 0.774) 2.690 2.895 ( 0.000 -2.403 -1.105) 2.645 2.895 ( 0.000 2.403 -1.105) 2.645 2.940 ( 0.000 -1.689 2.208) 2.780 2.940 ( 0.000 1.689 2.208) 2.780 2.979 ( 0.000 -0.534 -0.311) 0.618 2.979 ( 0.000 0.534 -0.311) 0.618 3.014 ( 0.000 -2.480 -0.290) 2.497 3.014 ( 0.000 2.480 -0.290) 2.497 3.067 ( 0.000 -1.116 1.405) 1.794 3.067 ( 0.000 1.116 1.405) 1.794 3.110 ( 0.000 -0.605 0.390) 0.719 3.110 ( 0.000 0.605 0.390) 0.719 3.210 ( 0.000 -1.670 -3.140) 3.557 3.210 ( 0.000 1.670 -3.140) 3.557 3.249 ( 0.000 -0.355 -4.238) 4.253 3.249 ( 0.000 0.355 -4.238) 4.253 3.322 ( 0.000 -0.566 1.517) 1.619 3.322 ( 0.000 0.566 1.517) 1.619 3.366 ( 0.000 -0.240 -0.050) 0.246 3.366 ( 0.000 0.240 -0.050) 0.246 3.418 ( 0.000 -0.537 0.431) 0.689 3.418 ( 0.000 0.537 0.431) 0.689 3.460 ( 0.000 -0.443 -1.934) 1.984 3.460 ( 0.000 0.443 -1.934) 1.984 3.527 ( 0.000 -2.810 1.166) 3.043 3.527 ( 0.000 2.810 1.166) 3.043 3.591 ( 0.000 -0.138 -0.057) 0.149 3.591 ( 0.000 0.138 -0.057) 0.149 3.781 ( 0.000 -0.134 4.181) 4.184 3.781 ( 0.000 0.134 4.181) 4.184 3.919 ( 0.000 -1.312 1.123) 1.727 3.919 ( 0.000 1.312 1.123) 1.727 4.039 ( 0.000 -1.358 -2.610) 2.942 4.039 ( 0.000 1.358 -2.610) 2.942 4.094 ( 0.000 -2.264 -1.102) 2.518 4.094 ( 0.000 2.264 -1.102) 2.518 4.242 ( 0.000 -1.844 3.934) 4.345 4.242 ( 0.000 1.844 3.934) 4.345 4.363 ( 0.000 -0.547 -1.318) 1.427 4.363 ( 0.000 0.547 -1.318) 1.427 4.374 ( 0.000 -1.323 0.367) 1.373 4.374 ( 0.000 1.323 0.367) 1.373 4.400 ( 0.000 -0.921 -0.781) 1.208 4.400 ( 0.000 0.921 -0.781) 1.208 4.745 ( 0.000 -1.024 1.241) 1.609 4.745 ( 0.000 1.024 1.241) 1.609 4.820 ( 0.000 -0.959 -1.997) 2.215 4.820 ( 0.000 0.959 -1.997) 2.215 5.040 ( 0.000 -2.605 0.126) 2.608 5.040 ( 0.000 2.605 0.126) 2.608 5.068 ( 0.000 -3.290 -0.839) 3.396 5.068 ( 0.000 3.290 -0.839) 3.396 5.171 ( 0.000 -0.467 0.469) 0.662 5.171 ( 0.000 0.467 0.469) 0.662 5.191 ( 0.000 -1.224 -0.379) 1.282 5.191 ( 0.000 1.224 -0.379) 1.282 5.240 ( 0.000 -1.790 1.924) 2.628 5.240 ( 0.000 1.790 1.924) 2.628 5.324 ( 0.000 -2.863 -1.397) 3.186 5.324 ( 0.000 2.863 -1.397) 3.186 5.470 ( 0.000 -1.000 -0.308) 1.047 5.470 ( 0.000 1.000 -0.308) 1.047 5.484 ( 0.000 -0.299 -0.459) 0.548 5.484 ( 0.000 0.299 -0.459) 0.548 5.516 ( 0.000 -1.207 1.195) 1.698 5.516 ( 0.000 1.207 1.195) 1.698 5.559 ( 0.000 -2.792 -0.851) 2.918 5.559 ( 0.000 2.792 -0.851) 2.918 5.906 ( 0.000 -0.635 1.528) 1.654 5.906 ( 0.000 0.635 1.528) 1.654 5.948 ( 0.000 -1.353 0.263) 1.378 5.948 ( 0.000 1.353 0.263) 1.378 6.017 ( 0.000 -2.171 4.899) 5.359 6.017 ( 0.000 2.171 4.899) 5.359 6.094 ( 0.000 -2.203 3.356) 4.015 6.094 ( 0.000 2.203 3.356) 4.015 6.123 ( 0.000 -0.311 -2.330) 2.350 6.123 ( 0.000 0.311 -2.330) 2.350 6.274 ( 0.000 -0.299 2.602) 2.619 6.274 ( 0.000 0.299 2.602) 2.619 6.358 ( 0.000 -0.182 0.385) 0.426 6.358 ( 0.000 0.182 0.385) 0.426 6.372 ( 0.000 -0.465 -0.844) 0.963 6.372 ( 0.000 0.465 -0.844) 0.963 6.396 ( 0.000 -0.051 1.707) 1.708 6.396 ( 0.000 0.051 1.707) 1.708 6.433 ( 0.000 -0.586 0.233) 0.630 6.433 ( 0.000 0.586 0.233) 0.630 6.465 ( 0.000 -2.028 1.030) 2.274 6.465 ( 0.000 2.028 1.030) 2.274 6.552 ( 0.000 -0.214 -1.150) 1.170 6.552 ( 0.000 0.214 -1.150) 1.170 6.591 ( 0.000 -0.831 -2.132) 2.288 6.591 ( 0.000 0.831 -2.132) 2.288 6.609 ( 0.000 -2.615 -1.310) 2.924 6.609 ( 0.000 2.615 -1.310) 2.924 6.664 ( 0.000 -0.825 0.692) 1.077 6.664 ( 0.000 0.825 0.692) 1.077 6.715 ( 0.000 -0.737 -1.147) 1.364 6.715 ( 0.000 0.737 -1.147) 1.364 7.573 ( 0.000 -0.210 0.652) 0.685 7.573 ( 0.000 0.210 0.652) 0.685 7.618 ( 0.000 -0.393 0.008) 0.393 7.618 ( 0.000 0.393 0.008) 0.393 7.633 ( 0.000 -0.666 0.086) 0.672 7.633 ( 0.000 0.666 0.086) 0.672 7.671 ( 0.000 -0.318 -0.644) 0.719 7.671 ( 0.000 0.318 -0.644) 0.719 7.749 ( 0.000 -1.146 0.418) 1.220 7.749 ( 0.000 1.146 0.418) 1.220 7.772 ( 0.000 -1.582 -0.511) 1.663 7.772 ( 0.000 1.582 -0.511) 1.663 7.915 ( 0.000 -1.417 0.933) 1.697 7.915 ( 0.000 1.417 0.933) 1.697 8.026 ( 0.000 -0.687 -3.990) 4.048 8.026 ( 0.000 0.687 -3.990) 4.048 ======================= Grid point 37 (17/27) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 2.329 -8.467 8.337) 12.109 0.569 ( 2.329 8.467 8.337) 12.109 0.633 ( 6.414 -7.193 2.084) 9.860 0.633 ( 6.414 7.193 2.084) 9.860 0.800 ( 0.438 -3.651 -2.762) 4.599 0.800 ( 0.438 3.651 -2.762) 4.599 0.858 ( -3.364 -1.733 0.312) 3.797 0.858 ( -3.364 1.733 0.312) 3.797 0.875 ( -4.830 -1.090 2.892) 5.734 0.875 ( -4.830 1.090 2.892) 5.734 0.949 ( -0.354 -2.246 -0.302) 2.293 0.949 ( -0.354 2.246 -0.302) 2.293 1.006 ( -3.044 -1.662 4.221) 5.463 1.006 ( -3.044 1.662 4.221) 5.463 1.036 ( -2.862 -3.342 -0.679) 4.452 1.036 ( -2.862 3.342 -0.679) 4.452 1.082 ( 1.837 -2.600 2.696) 4.171 1.082 ( 1.837 2.600 2.696) 4.171 1.127 ( 1.807 -2.260 1.535) 3.275 1.127 ( 1.807 2.260 1.535) 3.275 1.196 ( 0.858 -2.225 1.176) 2.659 1.196 ( 0.858 2.225 1.176) 2.659 1.254 ( 1.663 -2.128 0.775) 2.810 1.254 ( 1.663 2.128 0.775) 2.810 1.295 ( 3.421 -1.905 2.384) 4.584 1.295 ( 3.421 1.905 2.384) 4.584 1.316 ( 0.687 -1.831 0.315) 1.981 1.316 ( 0.687 1.831 0.315) 1.981 1.356 ( 1.315 -1.365 0.399) 1.937 1.356 ( 1.315 1.365 0.399) 1.937 1.395 ( -1.182 -1.566 0.722) 2.091 1.395 ( -1.182 1.566 0.722) 2.091 1.458 ( 2.606 -4.697 -2.265) 5.830 1.458 ( 2.606 4.697 -2.265) 5.830 1.487 ( 3.135 -3.142 -0.092) 4.439 1.487 ( 3.135 3.142 -0.092) 4.439 1.536 ( 3.369 -1.163 -4.831) 6.003 1.536 ( 3.369 1.163 -4.831) 6.003 1.608 ( -0.775 -1.785 -3.025) 3.597 1.608 ( -0.775 1.785 -3.025) 3.597 1.620 ( 1.874 -2.189 -4.480) 5.327 1.620 ( 1.874 2.189 -4.480) 5.327 1.664 ( 2.343 -1.527 0.333) 2.816 1.664 ( 2.343 1.527 0.333) 2.816 1.700 ( -0.711 -0.967 0.542) 1.317 1.700 ( -0.711 0.967 0.542) 1.317 1.719 ( 1.923 -3.246 -0.915) 3.882 1.719 ( 1.923 3.246 -0.915) 3.882 1.779 ( 1.530 -2.890 -0.925) 3.398 1.779 ( 1.530 2.890 -0.925) 3.398 1.824 ( 3.143 -0.454 -0.297) 3.190 1.824 ( 3.143 0.454 -0.297) 3.190 1.858 ( -1.199 -0.483 2.685) 2.981 1.858 ( -1.199 0.483 2.685) 2.981 1.912 ( 1.594 -1.509 1.062) 2.438 1.912 ( 1.594 1.509 1.062) 2.438 1.947 ( 1.242 -1.151 0.076) 1.695 1.947 ( 1.242 1.151 0.076) 1.695 1.983 ( 1.575 -2.141 1.202) 2.917 1.983 ( 1.575 2.141 1.202) 2.917 2.040 ( 0.532 -0.658 -0.544) 1.006 2.040 ( 0.532 0.658 -0.544) 1.006 2.083 ( -0.635 -1.897 -3.426) 3.967 2.083 ( -0.635 1.897 -3.426) 3.967 2.115 ( -1.616 -1.077 1.867) 2.694 2.115 ( -1.616 1.077 1.867) 2.694 2.145 ( 0.747 -1.071 0.453) 1.382 2.145 ( 0.747 1.071 0.453) 1.382 2.168 ( 0.392 -1.528 0.915) 1.824 2.168 ( 0.392 1.528 0.915) 1.824 2.228 ( 2.103 -1.420 -0.459) 2.578 2.228 ( 2.103 1.420 -0.459) 2.578 2.273 ( 0.262 -0.584 -1.043) 1.223 2.273 ( 0.262 0.584 -1.043) 1.223 2.310 ( -0.001 -0.490 1.198) 1.294 2.310 ( -0.001 0.490 1.198) 1.294 2.380 ( -0.225 -0.539 -1.210) 1.343 2.380 ( -0.225 0.539 -1.210) 1.343 2.417 ( 0.933 -1.403 -1.117) 2.021 2.417 ( 0.933 1.403 -1.117) 2.021 2.419 ( -1.914 -2.108 1.074) 3.043 2.419 ( -1.914 2.108 1.074) 3.043 2.463 ( 3.265 -0.456 0.582) 3.348 2.463 ( 3.265 0.456 0.582) 3.348 2.535 ( -1.220 -2.328 -0.834) 2.758 2.535 ( -1.220 2.328 -0.834) 2.758 2.578 ( 2.327 -2.012 0.887) 3.201 2.578 ( 2.327 2.012 0.887) 3.201 2.611 ( -1.021 -1.636 1.986) 2.768 2.611 ( -1.021 1.636 1.986) 2.768 2.638 ( -1.387 -0.996 -1.352) 2.178 2.638 ( -1.387 0.996 -1.352) 2.178 2.704 ( -1.884 -1.670 -0.453) 2.558 2.704 ( -1.884 1.670 -0.453) 2.558 2.762 ( -2.597 -0.921 0.689) 2.840 2.762 ( -2.597 0.921 0.689) 2.840 2.776 ( -2.731 -0.403 -0.120) 2.763 2.776 ( -2.731 0.403 -0.120) 2.763 2.812 ( -0.907 -1.472 -0.592) 1.828 2.812 ( -0.907 1.472 -0.592) 1.828 2.847 ( -5.869 -1.753 1.451) 6.295 2.847 ( -5.869 1.753 1.451) 6.295 2.908 ( -0.720 -0.773 -0.848) 1.355 2.908 ( -0.720 0.773 -0.848) 1.355 2.954 ( -2.943 -3.337 0.078) 4.451 2.954 ( -2.943 3.337 0.078) 4.451 2.989 ( -1.715 -1.136 -0.416) 2.098 2.989 ( -1.715 1.136 -0.416) 2.098 3.068 ( 0.940 -0.049 1.541) 1.805 3.068 ( 0.940 0.049 1.541) 1.805 3.135 ( -2.026 -0.995 -1.532) 2.728 3.135 ( -2.026 0.995 -1.532) 2.728 3.168 ( 2.494 -1.664 -0.861) 3.119 3.168 ( 2.494 1.664 -0.861) 3.119 3.207 ( -2.391 -0.790 -1.818) 3.106 3.207 ( -2.391 0.790 -1.818) 3.106 3.268 ( -4.239 -1.208 -0.140) 4.410 3.268 ( -4.239 1.208 -0.140) 4.410 3.352 ( -2.576 -1.287 -2.097) 3.562 3.352 ( -2.576 1.287 -2.097) 3.562 3.412 ( -0.171 -1.147 0.759) 1.386 3.412 ( -0.171 1.147 0.759) 1.386 3.462 ( -0.268 -1.403 -0.193) 1.441 3.462 ( -0.268 1.403 -0.193) 1.441 3.507 ( -1.559 -2.173 0.645) 2.751 3.507 ( -1.559 2.173 0.645) 2.751 3.544 ( -2.892 -0.722 0.470) 3.017 3.544 ( -2.892 0.722 0.470) 3.017 3.809 ( 2.347 -0.463 4.070) 4.721 3.809 ( 2.347 0.463 4.070) 4.721 3.905 ( -1.405 -0.793 2.460) 2.942 3.905 ( -1.405 0.793 2.460) 2.942 4.043 ( 0.565 -2.102 -3.035) 3.735 4.043 ( 0.565 2.102 -3.035) 3.735 4.078 ( -0.975 -3.390 -1.750) 3.937 4.078 ( -0.975 3.390 -1.750) 3.937 4.268 ( 2.411 -1.671 3.098) 4.267 4.268 ( 2.411 1.671 3.098) 4.267 4.363 ( -0.203 -0.766 -0.443) 0.908 4.363 ( -0.203 0.766 -0.443) 0.908 4.385 ( -0.160 -1.035 -0.752) 1.290 4.385 ( -0.160 1.035 -0.752) 1.290 4.398 ( 0.011 -0.687 -0.528) 0.866 4.398 ( 0.011 0.687 -0.528) 0.866 4.828 ( 6.549 -1.055 0.755) 6.677 4.828 ( 6.549 1.055 0.755) 6.677 4.875 ( 4.791 -1.027 -1.059) 5.013 4.875 ( 4.791 1.027 -1.059) 5.013 5.040 ( -0.628 -2.421 -0.195) 2.509 5.040 ( -0.628 2.421 -0.195) 2.509 5.053 ( -0.949 -2.402 -0.209) 2.591 5.053 ( -0.949 2.402 -0.209) 2.591 5.141 ( -2.607 -0.529 0.683) 2.747 5.141 ( -2.607 0.529 0.683) 2.747 5.178 ( -1.785 -0.129 -1.030) 2.065 5.178 ( -1.785 0.129 -1.030) 2.065 5.252 ( 1.134 -1.348 1.009) 2.030 5.252 ( 1.134 1.348 1.009) 2.030 5.310 ( -1.145 -1.991 -1.284) 2.631 5.310 ( -1.145 1.991 -1.284) 2.631 5.465 ( -0.181 -0.763 0.167) 0.802 5.465 ( -0.181 0.763 0.167) 0.802 5.481 ( -0.728 -0.502 -0.068) 0.887 5.481 ( -0.728 0.502 -0.068) 0.887 5.514 ( 0.494 -1.165 0.359) 1.315 5.514 ( 0.494 1.165 0.359) 1.315 5.551 ( -0.694 -1.875 -1.068) 2.267 5.551 ( -0.694 1.875 -1.068) 2.267 5.912 ( 0.975 -0.371 2.970) 3.148 5.912 ( 0.975 0.371 2.970) 3.148 5.988 ( -2.057 -1.169 6.122) 6.563 5.988 ( -2.057 1.169 6.122) 6.563 6.044 ( 5.946 -2.027 -1.159) 6.388 6.044 ( 5.946 2.027 -1.159) 6.388 6.114 ( 1.450 -0.697 -1.655) 2.308 6.114 ( 1.450 0.697 -1.655) 2.308 6.173 ( 4.469 -0.515 -0.951) 4.598 6.173 ( 4.469 0.515 -0.951) 4.598 6.272 ( -0.526 -0.866 0.511) 1.135 6.272 ( -0.526 0.866 0.511) 1.135 6.332 ( -3.289 -1.346 -0.029) 3.554 6.332 ( -3.289 1.346 -0.029) 3.554 6.344 ( -1.096 -1.193 -0.903) 1.855 6.344 ( -1.096 1.193 -0.903) 1.855 6.404 ( 0.736 -1.061 1.043) 1.660 6.404 ( 0.736 1.061 1.043) 1.660 6.433 ( -0.607 -1.074 1.633) 2.046 6.433 ( -0.607 1.074 1.633) 2.046 6.451 ( -0.386 -1.254 0.742) 1.508 6.451 ( -0.386 1.254 0.742) 1.508 6.540 ( -2.370 -0.477 -0.278) 2.434 6.540 ( -2.370 0.477 -0.278) 2.434 6.600 ( 1.699 -0.561 0.551) 1.872 6.600 ( 1.699 0.561 0.551) 1.872 6.628 ( 2.301 -1.779 -1.553) 3.297 6.628 ( 2.301 1.779 -1.553) 3.297 6.671 ( 0.376 -0.577 0.496) 0.848 6.671 ( 0.376 0.577 0.496) 0.848 6.733 ( 0.748 -1.992 -1.865) 2.830 6.733 ( 0.748 1.992 -1.865) 2.830 7.574 ( 0.157 -0.260 0.781) 0.838 7.574 ( 0.157 0.260 0.781) 0.838 7.605 ( -1.180 -0.549 1.207) 1.775 7.605 ( -1.180 0.549 1.207) 1.775 7.629 ( 0.244 -0.232 -1.010) 1.065 7.629 ( 0.244 0.232 -1.010) 1.065 7.660 ( -0.830 -0.282 -0.897) 1.254 7.660 ( -0.830 0.282 -0.897) 1.254 7.789 ( 2.640 -1.475 0.158) 3.028 7.789 ( 2.640 1.475 0.158) 3.028 7.803 ( 3.061 -1.406 -0.424) 3.395 7.803 ( 3.061 1.406 -0.424) 3.395 7.896 ( -1.739 -1.445 0.775) 2.390 7.896 ( -1.739 1.445 0.775) 2.390 7.982 ( -3.671 -1.582 -2.893) 4.934 7.982 ( -3.671 1.582 -2.893) 4.934 ======================= Grid point 39 (18/27) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -8.069 -4.405 5.281) 10.602 0.686 ( 7.722 -4.246 5.281) 10.273 0.686 ( -7.722 4.246 5.281) 10.273 0.686 ( 8.069 4.405 5.281) 10.602 0.768 ( -4.051 -5.400 -0.530) 6.772 0.768 ( 3.998 -5.390 -0.530) 6.732 0.768 ( -3.998 5.390 -0.530) 6.732 0.768 ( 4.051 5.400 -0.530) 6.772 0.903 ( -5.115 -4.367 -0.414) 6.738 0.903 ( 4.672 -4.241 -0.414) 6.323 0.903 ( -4.672 4.241 -0.414) 6.323 0.903 ( 5.115 4.367 -0.414) 6.738 0.968 ( -1.710 -3.299 0.086) 3.717 0.968 ( 1.657 -3.292 0.086) 3.686 0.968 ( -1.657 3.292 0.086) 3.686 0.968 ( 1.710 3.299 0.086) 3.717 1.135 ( -1.673 -1.606 2.590) 3.477 1.135 ( 0.694 -1.414 2.590) 3.031 1.135 ( -0.694 1.414 2.590) 3.031 1.135 ( 1.673 1.606 2.590) 3.477 1.237 ( -3.197 -1.918 -0.532) 3.766 1.237 ( 0.664 -1.112 -0.532) 1.400 1.237 ( -0.664 1.112 -0.532) 1.400 1.237 ( 3.197 1.918 -0.532) 3.766 1.308 ( -2.333 -1.532 2.882) 4.013 1.308 ( -0.250 -1.002 2.882) 3.062 1.308 ( 0.250 1.002 2.882) 3.062 1.308 ( 2.333 1.532 2.882) 4.013 1.413 ( -3.152 -2.596 -2.253) 4.664 1.413 ( 0.562 -2.082 -2.253) 3.119 1.413 ( -0.562 2.082 -2.253) 3.119 1.413 ( 3.152 2.596 -2.253) 4.664 1.498 ( -4.210 -4.072 0.378) 5.869 1.498 ( 4.190 -4.067 0.378) 5.851 1.498 ( -4.190 4.067 0.378) 5.851 1.498 ( 4.210 4.072 0.378) 5.869 1.598 ( -2.188 -1.398 -1.776) 3.146 1.598 ( 1.582 -1.176 -1.776) 2.653 1.598 ( -1.582 1.176 -1.776) 2.653 1.598 ( 2.188 1.398 -1.776) 3.146 1.640 ( -2.747 -1.557 -0.279) 3.170 1.640 ( 1.963 -1.225 -0.279) 2.330 1.640 ( -1.963 1.225 -0.279) 2.330 1.640 ( 2.747 1.557 -0.279) 3.170 1.749 ( -2.550 -2.483 -1.258) 3.774 1.749 ( 2.531 -2.478 -1.258) 3.759 1.749 ( -2.531 2.478 -1.258) 3.759 1.749 ( 2.550 2.483 -1.258) 3.774 1.791 ( -0.304 -2.874 0.655) 2.963 1.791 ( 0.303 -2.874 0.655) 2.963 1.791 ( -0.303 2.874 0.655) 2.963 1.791 ( 0.304 2.874 0.655) 2.963 1.920 ( -1.846 -1.350 1.384) 2.673 1.920 ( -1.520 -1.244 1.384) 2.403 1.920 ( 1.520 1.244 1.384) 2.403 1.920 ( 1.846 1.350 1.384) 2.673 1.992 ( -3.698 -1.254 -0.390) 3.924 1.992 ( -2.910 -0.521 -0.390) 2.982 1.992 ( 2.910 0.521 -0.390) 2.982 1.992 ( 3.698 1.254 -0.390) 3.924 2.068 ( -1.332 -0.342 -1.959) 2.393 2.068 ( -1.202 0.186 -1.959) 2.306 2.068 ( 1.202 -0.186 -1.959) 2.306 2.068 ( 1.332 0.342 -1.959) 2.393 2.113 ( -3.837 -2.383 1.638) 4.804 2.113 ( 1.470 -1.593 1.638) 2.717 2.113 ( -1.470 1.593 1.638) 2.717 2.113 ( 3.837 2.383 1.638) 4.804 2.233 ( -3.099 -2.073 1.490) 4.015 2.233 ( 3.090 -2.070 1.490) 4.006 2.233 ( -3.090 2.070 1.490) 4.006 2.233 ( 3.099 2.073 1.490) 4.015 2.298 ( -3.161 -0.890 -0.814) 3.383 2.298 ( -3.132 0.864 -0.814) 3.349 2.298 ( 3.132 -0.864 -0.814) 3.349 2.298 ( 3.161 0.890 -0.814) 3.383 2.375 ( -0.942 -2.406 0.042) 2.584 2.375 ( 0.940 -2.406 0.042) 2.583 2.375 ( -0.940 2.406 0.042) 2.583 2.375 ( 0.942 2.406 0.042) 2.584 2.475 ( -4.377 -0.514 -0.689) 4.461 2.475 ( -4.269 -0.174 -0.689) 4.327 2.475 ( 4.269 0.174 -0.689) 4.327 2.475 ( 4.377 0.514 -0.689) 4.461 2.554 ( -2.605 -0.419 -0.824) 2.764 2.554 ( -2.583 0.383 -0.824) 2.738 2.554 ( 2.583 -0.383 -0.824) 2.738 2.554 ( 2.605 0.419 -0.824) 2.764 2.625 ( -3.432 -1.721 -0.433) 3.864 2.625 ( -0.644 -0.347 -0.433) 0.850 2.625 ( 0.644 0.347 -0.433) 0.850 2.625 ( 3.432 1.721 -0.433) 3.864 2.683 ( -2.428 -0.498 -0.130) 2.482 2.683 ( -2.217 0.053 -0.130) 2.221 2.683 ( 2.217 -0.053 -0.130) 2.221 2.683 ( 2.428 0.498 -0.130) 2.482 2.740 ( -2.387 -1.726 2.062) 3.596 2.740 ( 2.334 -1.708 2.062) 3.552 2.740 ( -2.334 1.708 2.062) 3.552 2.740 ( 2.387 1.726 2.062) 3.596 2.834 ( -3.071 -2.127 -1.032) 3.875 2.834 ( 1.761 -1.715 -1.032) 2.666 2.834 ( -1.761 1.715 -1.032) 2.666 2.834 ( 3.071 2.127 -1.032) 3.875 2.953 ( -1.644 -1.672 0.201) 2.353 2.953 ( -0.563 -1.483 0.201) 1.599 2.953 ( 0.563 1.483 0.201) 1.599 2.953 ( 1.644 1.672 0.201) 2.353 3.118 ( -1.638 -0.563 0.026) 1.732 3.118 ( -1.515 0.469 0.026) 1.587 3.118 ( 1.515 -0.469 0.026) 1.587 3.118 ( 1.638 0.563 0.026) 1.732 3.174 ( -1.913 -1.341 -1.065) 2.567 3.174 ( -0.079 -0.941 -1.065) 1.423 3.174 ( 0.079 0.941 -1.065) 1.423 3.174 ( 1.913 1.341 -1.065) 2.567 3.262 ( -4.438 -1.039 -1.608) 4.833 3.262 ( -4.306 0.890 -1.608) 4.681 3.262 ( 4.306 -0.890 -1.608) 4.681 3.262 ( 4.438 1.039 -1.608) 4.833 3.432 ( -1.733 -1.128 1.430) 2.514 3.432 ( 0.747 -0.813 1.430) 1.807 3.432 ( -0.747 0.813 1.430) 1.807 3.432 ( 1.733 1.128 1.430) 2.514 3.502 ( -1.041 -0.799 -0.439) 1.384 3.502 ( 0.427 -0.643 -0.439) 0.888 3.502 ( -0.427 0.643 -0.439) 0.888 3.502 ( 1.041 0.799 -0.439) 1.384 3.863 ( -2.337 -0.707 3.574) 4.328 3.863 ( -2.137 0.525 3.574) 4.197 3.863 ( 2.137 -0.525 3.574) 4.197 3.863 ( 2.337 0.707 3.574) 4.328 4.059 ( -0.757 -3.518 -2.631) 4.457 4.059 ( 0.728 -3.516 -2.631) 4.451 4.059 ( -0.728 3.516 -2.631) 4.451 4.059 ( 0.757 3.518 -2.631) 4.457 4.331 ( -2.779 -1.234 1.299) 3.307 4.331 ( -1.692 0.554 1.299) 2.204 4.331 ( 1.692 -0.554 1.299) 2.204 4.331 ( 2.779 1.234 1.299) 3.307 4.388 ( -0.596 -1.175 -0.846) 1.566 4.388 ( 0.433 -1.157 -0.846) 1.497 4.388 ( -0.433 1.157 -0.846) 1.497 4.388 ( 0.596 1.175 -0.846) 1.566 4.960 ( -3.119 -1.322 0.693) 3.457 4.960 ( -3.096 1.308 0.693) 3.431 4.960 ( 3.096 -1.308 0.693) 3.431 4.960 ( 3.119 1.322 0.693) 3.457 5.008 ( -3.110 -0.590 -0.718) 3.246 5.008 ( -3.109 0.588 -0.718) 3.245 5.008 ( 3.109 -0.588 -0.718) 3.245 5.008 ( 3.110 0.590 -0.718) 3.246 5.123 ( -2.104 -0.500 -0.362) 2.192 5.123 ( -2.081 0.476 -0.362) 2.165 5.123 ( 2.081 -0.476 -0.362) 2.165 5.123 ( 2.104 0.500 -0.362) 2.192 5.282 ( -1.402 -0.268 -0.381) 1.477 5.282 ( -1.351 0.193 -0.381) 1.417 5.282 ( 1.351 -0.193 -0.381) 1.417 5.282 ( 1.402 0.268 -0.381) 1.477 5.467 ( -0.405 -0.698 0.399) 0.900 5.467 ( 0.397 -0.696 0.399) 0.895 5.467 ( -0.397 0.696 0.399) 0.895 5.467 ( 0.405 0.698 0.399) 0.900 5.532 ( -0.971 -0.343 -0.737) 1.266 5.532 ( -0.967 0.340 -0.737) 1.263 5.532 ( 0.967 -0.340 -0.737) 1.263 5.532 ( 0.971 0.343 -0.737) 1.266 5.942 ( -1.867 -0.280 4.791) 5.149 5.942 ( -1.841 0.234 4.791) 5.138 5.942 ( 1.841 -0.234 4.791) 5.138 5.942 ( 1.867 0.280 4.791) 5.149 6.133 ( -1.076 -1.389 -1.593) 2.372 6.133 ( 0.867 -1.352 -1.593) 2.262 6.133 ( -0.867 1.352 -1.593) 2.262 6.133 ( 1.076 1.389 -1.593) 2.372 6.249 ( -2.225 -1.181 -1.269) 2.820 6.249 ( -0.035 -0.396 -1.269) 1.329 6.249 ( 0.035 0.396 -1.269) 1.329 6.249 ( 2.225 1.181 -1.269) 2.820 6.303 ( -2.644 -0.841 -2.381) 3.656 6.303 ( -2.173 0.375 -2.381) 3.245 6.303 ( 2.173 -0.375 -2.381) 3.245 6.303 ( 2.644 0.841 -2.381) 3.656 6.414 ( -0.791 -0.496 2.806) 2.957 6.414 ( 0.332 -0.342 2.806) 2.846 6.414 ( -0.332 0.342 2.806) 2.846 6.414 ( 0.791 0.496 2.806) 2.957 6.482 ( -2.512 -0.180 0.641) 2.599 6.482 ( -2.497 -0.117 0.641) 2.580 6.482 ( 2.497 0.117 0.641) 2.580 6.482 ( 2.512 0.180 0.641) 2.599 6.635 ( -0.953 -1.950 0.348) 2.198 6.635 ( 0.453 -1.904 0.348) 1.988 6.635 ( -0.453 1.904 0.348) 1.988 6.635 ( 0.953 1.950 0.348) 2.198 6.716 ( -2.391 -1.760 -1.315) 3.247 6.716 ( 1.915 -1.608 -1.315) 2.825 6.716 ( -1.915 1.608 -1.315) 2.825 6.716 ( 2.391 1.760 -1.315) 3.247 7.583 ( -0.727 -0.336 1.098) 1.359 7.583 ( -0.679 0.309 1.098) 1.327 7.583 ( 0.679 -0.309 1.098) 1.327 7.583 ( 0.727 0.336 1.098) 1.359 7.641 ( -0.817 -0.241 -1.080) 1.376 7.641 ( -0.741 0.169 -1.080) 1.321 7.641 ( 0.741 -0.169 -1.080) 1.321 7.641 ( 0.817 0.241 -1.080) 1.376 7.846 ( -2.640 -1.553 0.441) 3.095 7.846 ( 1.800 -1.216 0.441) 2.216 7.846 ( -1.800 1.216 0.441) 2.216 7.846 ( 2.640 1.553 0.441) 3.095 7.890 ( -4.461 -2.022 -1.302) 5.068 7.890 ( -3.486 1.466 -1.302) 3.999 7.890 ( 3.486 -1.466 -1.302) 3.999 7.890 ( 4.461 2.022 -1.302) 5.068 ======================= Grid point 50 (19/27) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 0.000 0.000 -11.725) 11.725 0.536 ( 0.000 0.000 11.725) 11.725 0.696 ( 0.000 0.000 -14.038) 14.038 0.696 ( 0.000 0.000 14.038) 14.038 0.865 ( 0.000 0.000 -4.986) 4.986 0.865 ( 0.000 0.000 4.986) 4.986 0.897 ( 0.000 0.000 -4.826) 4.826 0.897 ( 0.000 0.000 4.826) 4.826 0.952 ( 0.000 0.000 -3.620) 3.620 0.952 ( 0.000 0.000 3.620) 3.620 0.978 ( 0.000 0.000 -1.931) 1.931 0.978 ( 0.000 0.000 1.931) 1.931 1.061 ( 0.000 0.000 -2.356) 2.356 1.061 ( 0.000 0.000 2.356) 2.356 1.085 ( 0.000 0.000 -2.209) 2.209 1.085 ( 0.000 0.000 2.209) 2.209 1.107 ( 0.000 0.000 -7.259) 7.259 1.107 ( 0.000 0.000 7.259) 7.259 1.175 ( 0.000 0.000 -0.367) 0.367 1.175 ( 0.000 0.000 0.367) 0.367 1.199 ( 0.000 0.000 -5.195) 5.195 1.199 ( 0.000 0.000 5.195) 5.195 1.245 ( 0.000 0.000 -1.719) 1.719 1.245 ( 0.000 0.000 1.719) 1.719 1.300 ( 0.000 0.000 -0.676) 0.676 1.300 ( 0.000 0.000 0.676) 0.676 1.333 ( 0.000 0.000 -10.135) 10.135 1.333 ( 0.000 0.000 10.135) 10.135 1.343 ( 0.000 0.000 -1.831) 1.831 1.343 ( 0.000 0.000 1.831) 1.831 1.422 ( 0.000 0.000 -9.746) 9.746 1.422 ( 0.000 0.000 9.746) 9.746 1.440 ( 0.000 0.000 -5.571) 5.571 1.440 ( 0.000 0.000 5.571) 5.571 1.449 ( 0.000 0.000 -1.136) 1.136 1.449 ( 0.000 0.000 1.136) 1.136 1.487 ( 0.000 0.000 -2.298) 2.298 1.487 ( 0.000 0.000 2.298) 2.298 1.528 ( 0.000 0.000 -7.936) 7.936 1.528 ( 0.000 0.000 7.936) 7.936 1.533 ( 0.000 0.000 -1.840) 1.840 1.533 ( 0.000 0.000 1.840) 1.840 1.577 ( 0.000 0.000 -4.170) 4.170 1.577 ( 0.000 0.000 4.170) 4.170 1.585 ( 0.000 0.000 -5.681) 5.681 1.585 ( 0.000 0.000 5.681) 5.681 1.706 ( 0.000 0.000 -2.752) 2.752 1.706 ( 0.000 0.000 2.752) 2.752 1.729 ( 0.000 0.000 -2.651) 2.651 1.729 ( 0.000 0.000 2.651) 2.651 1.786 ( 0.000 0.000 -2.176) 2.176 1.786 ( 0.000 0.000 2.176) 2.176 1.863 ( 0.000 0.000 -0.729) 0.729 1.863 ( 0.000 0.000 0.729) 0.729 1.912 ( 0.000 0.000 -0.456) 0.456 1.912 ( 0.000 0.000 0.456) 0.456 1.976 ( 0.000 0.000 -6.338) 6.338 1.976 ( 0.000 0.000 6.338) 6.338 2.030 ( 0.000 0.000 -4.997) 4.997 2.030 ( 0.000 0.000 4.997) 4.997 2.074 ( 0.000 0.000 -6.571) 6.571 2.074 ( 0.000 0.000 6.571) 6.571 2.095 ( 0.000 0.000 -2.101) 2.101 2.095 ( 0.000 0.000 2.101) 2.101 2.142 ( 0.000 0.000 -2.743) 2.743 2.142 ( 0.000 0.000 2.743) 2.743 2.180 ( 0.000 0.000 -0.267) 0.267 2.180 ( 0.000 0.000 0.267) 0.267 2.186 ( 0.000 0.000 -2.066) 2.066 2.186 ( 0.000 0.000 2.066) 2.066 2.205 ( 0.000 0.000 -3.791) 3.791 2.205 ( 0.000 0.000 3.791) 3.791 2.262 ( 0.000 0.000 -6.663) 6.663 2.262 ( 0.000 0.000 6.663) 6.663 2.303 ( 0.000 0.000 -3.552) 3.552 2.303 ( 0.000 0.000 3.552) 3.552 2.321 ( 0.000 0.000 -2.051) 2.051 2.321 ( 0.000 0.000 2.051) 2.051 2.340 ( 0.000 0.000 -6.858) 6.858 2.340 ( 0.000 0.000 6.858) 6.858 2.397 ( 0.000 0.000 -3.416) 3.416 2.397 ( 0.000 0.000 3.416) 3.416 2.496 ( 0.000 0.000 -2.701) 2.701 2.496 ( 0.000 0.000 2.701) 2.701 2.522 ( 0.000 0.000 -1.402) 1.402 2.522 ( 0.000 0.000 1.402) 1.402 2.570 ( 0.000 0.000 -0.784) 0.784 2.570 ( 0.000 0.000 0.784) 0.784 2.590 ( 0.000 0.000 -1.771) 1.771 2.590 ( 0.000 0.000 1.771) 1.771 2.646 ( 0.000 0.000 -1.332) 1.332 2.646 ( 0.000 0.000 1.332) 1.332 2.715 ( 0.000 0.000 -0.181) 0.181 2.715 ( 0.000 0.000 0.181) 0.181 2.776 ( 0.000 0.000 -2.754) 2.754 2.776 ( 0.000 0.000 2.754) 2.754 2.823 ( 0.000 0.000 -3.325) 3.325 2.823 ( 0.000 0.000 3.325) 3.325 2.844 ( 0.000 0.000 -0.556) 0.556 2.844 ( 0.000 0.000 0.556) 0.556 2.857 ( 0.000 0.000 -2.930) 2.930 2.857 ( 0.000 0.000 2.930) 2.930 2.929 ( 0.000 0.000 -0.511) 0.511 2.929 ( 0.000 0.000 0.511) 0.511 2.975 ( 0.000 0.000 -2.250) 2.250 2.975 ( 0.000 0.000 2.250) 2.250 3.006 ( 0.000 0.000 -2.840) 2.840 3.006 ( 0.000 0.000 2.840) 2.840 3.063 ( 0.000 0.000 -1.127) 1.127 3.063 ( 0.000 0.000 1.127) 1.127 3.074 ( 0.000 0.000 -6.737) 6.737 3.074 ( 0.000 0.000 6.737) 6.737 3.134 ( 0.000 0.000 -3.587) 3.587 3.134 ( 0.000 0.000 3.587) 3.587 3.224 ( 0.000 0.000 -2.164) 2.164 3.224 ( 0.000 0.000 2.164) 2.164 3.383 ( 0.000 0.000 -0.805) 0.805 3.383 ( 0.000 0.000 0.805) 0.805 3.396 ( 0.000 0.000 -0.225) 0.225 3.396 ( 0.000 0.000 0.225) 0.225 3.427 ( 0.000 0.000 -0.115) 0.115 3.427 ( 0.000 0.000 0.115) 0.115 3.514 ( 0.000 0.000 -0.076) 0.076 3.514 ( 0.000 0.000 0.076) 0.076 3.547 ( 0.000 0.000 -1.003) 1.003 3.547 ( 0.000 0.000 1.003) 1.003 3.596 ( 0.000 0.000 -1.675) 1.675 3.596 ( 0.000 0.000 1.675) 1.675 3.813 ( 0.000 0.000 -3.634) 3.634 3.813 ( 0.000 0.000 3.634) 3.634 3.906 ( 0.000 0.000 -6.588) 6.588 3.906 ( 0.000 0.000 6.588) 6.588 4.025 ( 0.000 0.000 -4.475) 4.475 4.025 ( 0.000 0.000 4.475) 4.475 4.075 ( 0.000 0.000 -5.391) 5.391 4.075 ( 0.000 0.000 5.391) 5.391 4.268 ( 0.000 0.000 -3.298) 3.298 4.268 ( 0.000 0.000 3.298) 3.298 4.348 ( 0.000 0.000 -1.553) 1.553 4.348 ( 0.000 0.000 1.553) 1.553 4.378 ( 0.000 0.000 -2.937) 2.937 4.378 ( 0.000 0.000 2.937) 2.937 4.407 ( 0.000 0.000 -0.191) 0.191 4.407 ( 0.000 0.000 0.191) 0.191 4.751 ( 0.000 0.000 -1.461) 1.461 4.751 ( 0.000 0.000 1.461) 1.461 4.805 ( 0.000 0.000 -2.222) 2.222 4.805 ( 0.000 0.000 2.222) 2.222 4.974 ( 0.000 0.000 -0.096) 0.096 4.974 ( 0.000 0.000 0.096) 0.096 5.095 ( 0.000 0.000 -0.387) 0.387 5.095 ( 0.000 0.000 0.387) 0.387 5.165 ( 0.000 0.000 -0.020) 0.020 5.165 ( 0.000 0.000 0.020) 0.020 5.197 ( 0.000 0.000 -1.190) 1.190 5.197 ( 0.000 0.000 1.190) 1.190 5.230 ( 0.000 0.000 -0.785) 0.785 5.230 ( 0.000 0.000 0.785) 0.785 5.333 ( 0.000 0.000 -2.729) 2.729 5.333 ( 0.000 0.000 2.729) 2.729 5.456 ( 0.000 0.000 -1.564) 1.564 5.456 ( 0.000 0.000 1.564) 1.564 5.473 ( 0.000 0.000 -0.122) 0.122 5.473 ( 0.000 0.000 0.122) 0.122 5.503 ( 0.000 0.000 -0.094) 0.094 5.503 ( 0.000 0.000 0.094) 0.094 5.598 ( 0.000 0.000 -1.930) 1.930 5.598 ( 0.000 0.000 1.930) 1.930 5.912 ( 0.000 0.000 -0.790) 0.790 5.912 ( 0.000 0.000 0.790) 0.790 5.972 ( 0.000 0.000 -1.938) 1.938 5.972 ( 0.000 0.000 1.938) 1.938 6.056 ( 0.000 0.000 -2.120) 2.120 6.056 ( 0.000 0.000 2.120) 2.120 6.059 ( 0.000 0.000 -0.306) 0.306 6.059 ( 0.000 0.000 0.306) 0.306 6.153 ( 0.000 0.000 -6.556) 6.556 6.153 ( 0.000 0.000 6.556) 6.556 6.328 ( 0.000 0.000 -1.364) 1.364 6.328 ( 0.000 0.000 1.364) 1.364 6.344 ( 0.000 0.000 -1.292) 1.292 6.344 ( 0.000 0.000 1.292) 1.292 6.352 ( 0.000 0.000 -1.697) 1.697 6.352 ( 0.000 0.000 1.697) 1.697 6.476 ( 0.000 0.000 -0.777) 0.777 6.476 ( 0.000 0.000 0.777) 0.777 6.483 ( 0.000 0.000 -2.626) 2.626 6.483 ( 0.000 0.000 2.626) 2.626 6.509 ( 0.000 0.000 -1.233) 1.233 6.509 ( 0.000 0.000 1.233) 1.233 6.543 ( 0.000 0.000 -2.096) 2.096 6.543 ( 0.000 0.000 2.096) 2.096 6.553 ( 0.000 0.000 -1.485) 1.485 6.553 ( 0.000 0.000 1.485) 1.485 6.642 ( 0.000 0.000 -2.071) 2.071 6.642 ( 0.000 0.000 2.071) 2.071 6.689 ( 0.000 0.000 -3.401) 3.401 6.689 ( 0.000 0.000 3.401) 3.401 6.712 ( 0.000 0.000 -2.035) 2.035 6.712 ( 0.000 0.000 2.035) 2.035 7.578 ( 0.000 0.000 -1.404) 1.404 7.578 ( 0.000 0.000 1.404) 1.404 7.597 ( 0.000 0.000 -1.452) 1.452 7.597 ( 0.000 0.000 1.452) 1.452 7.644 ( 0.000 0.000 -1.598) 1.598 7.644 ( 0.000 0.000 1.598) 1.598 7.667 ( 0.000 0.000 -1.001) 1.001 7.667 ( 0.000 0.000 1.001) 1.001 7.727 ( 0.000 0.000 -0.447) 0.447 7.727 ( 0.000 0.000 0.447) 0.447 7.792 ( 0.000 0.000 -0.886) 0.886 7.792 ( 0.000 0.000 0.886) 0.886 7.854 ( 0.000 0.000 -0.906) 0.906 7.854 ( 0.000 0.000 0.906) 0.906 7.981 ( 0.000 0.000 -2.498) 2.498 7.981 ( 0.000 0.000 2.498) 2.498 ======================= Grid point 52 (20/27) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 4.565 0.000 -6.772) 8.167 0.593 ( 4.565 0.000 6.772) 8.167 0.690 ( 1.113 0.000 -10.248) 10.308 0.690 ( 1.113 0.000 10.248) 10.308 0.859 ( -2.691 0.000 -3.319) 4.272 0.859 ( -2.691 0.000 3.319) 4.272 0.883 ( -4.136 0.000 -1.418) 4.372 0.883 ( -4.136 0.000 1.418) 4.372 0.931 ( 1.312 0.000 -5.625) 5.776 0.931 ( 1.312 0.000 5.625) 5.776 0.954 ( 0.167 0.000 -1.515) 1.524 0.954 ( 0.167 0.000 1.515) 1.524 1.041 ( -1.728 0.000 -3.381) 3.797 1.041 ( -1.728 0.000 3.381) 3.797 1.086 ( -1.524 0.000 -1.621) 2.224 1.086 ( -1.524 0.000 1.621) 2.224 1.152 ( 1.421 0.000 -6.454) 6.609 1.152 ( 1.421 0.000 6.454) 6.609 1.206 ( 0.181 0.000 -2.298) 2.306 1.206 ( 0.181 0.000 2.298) 2.306 1.261 ( 5.754 0.000 -2.740) 6.373 1.261 ( 5.754 0.000 2.740) 6.373 1.280 ( 1.069 0.000 -1.841) 2.129 1.280 ( 1.069 0.000 1.841) 2.129 1.290 ( 3.382 0.000 -0.814) 3.479 1.290 ( 3.382 0.000 0.814) 3.479 1.346 ( 1.342 0.000 -2.371) 2.725 1.346 ( 1.342 0.000 2.371) 2.725 1.365 ( -0.393 0.000 -5.641) 5.655 1.365 ( -0.393 0.000 5.641) 5.655 1.377 ( 1.587 0.000 -3.563) 3.900 1.377 ( 1.587 0.000 3.563) 3.900 1.433 ( -0.560 0.000 -0.232) 0.606 1.433 ( -0.560 0.000 0.232) 0.606 1.470 ( 2.869 0.000 -4.042) 4.956 1.470 ( 2.869 0.000 4.042) 4.956 1.511 ( -2.444 0.000 -3.953) 4.647 1.511 ( -2.444 0.000 3.953) 4.647 1.540 ( 1.000 0.000 -3.029) 3.190 1.540 ( 1.000 0.000 3.029) 3.190 1.583 ( 2.731 0.000 -2.371) 3.617 1.583 ( 2.731 0.000 2.371) 3.617 1.612 ( 4.276 0.000 -2.827) 5.126 1.612 ( 4.276 0.000 2.827) 5.126 1.641 ( 2.547 0.000 -5.015) 5.625 1.641 ( 2.547 0.000 5.015) 5.625 1.684 ( -0.962 0.000 -0.899) 1.317 1.684 ( -0.962 0.000 0.899) 1.317 1.767 ( 2.902 0.000 -3.290) 4.387 1.767 ( 2.902 0.000 3.290) 4.387 1.792 ( 0.387 0.000 -1.000) 1.072 1.792 ( 0.387 0.000 1.000) 1.072 1.869 ( -0.177 0.000 -1.248) 1.260 1.869 ( -0.177 0.000 1.248) 1.260 1.927 ( 1.429 0.000 -1.317) 1.943 1.927 ( 1.429 0.000 1.317) 1.943 1.992 ( 0.090 0.000 -6.706) 6.707 1.992 ( 0.090 0.000 6.706) 6.707 2.032 ( -1.009 0.000 -2.001) 2.241 2.032 ( -1.009 0.000 2.001) 2.241 2.056 ( 1.420 0.000 -0.048) 1.421 2.056 ( 1.420 0.000 0.048) 1.421 2.075 ( -1.611 0.000 -0.004) 1.611 2.075 ( -1.611 0.000 0.004) 1.611 2.106 ( 0.136 0.000 -4.613) 4.615 2.106 ( 0.136 0.000 4.613) 4.615 2.140 ( -0.685 0.000 -0.707) 0.985 2.140 ( -0.685 0.000 0.707) 0.985 2.219 ( -1.375 0.000 -2.744) 3.069 2.219 ( -1.375 0.000 2.744) 3.069 2.253 ( -1.379 0.000 -3.821) 4.063 2.253 ( -1.379 0.000 3.821) 4.063 2.265 ( 2.753 0.000 -1.320) 3.054 2.265 ( 2.753 0.000 1.320) 3.054 2.337 ( 3.045 0.000 -0.840) 3.159 2.337 ( 3.045 0.000 0.840) 3.159 2.340 ( 3.947 0.000 -6.705) 7.780 2.340 ( 3.947 0.000 6.705) 7.780 2.362 ( -0.476 0.000 -3.780) 3.809 2.362 ( -0.476 0.000 3.780) 3.809 2.400 ( 2.108 0.000 -4.554) 5.018 2.400 ( 2.108 0.000 4.554) 5.018 2.470 ( -1.106 0.000 -0.433) 1.188 2.470 ( -1.106 0.000 0.433) 1.188 2.527 ( 0.092 0.000 -2.544) 2.545 2.527 ( 0.092 0.000 2.544) 2.545 2.566 ( -0.180 0.000 -0.744) 0.765 2.566 ( -0.180 0.000 0.744) 0.765 2.589 ( -1.962 0.000 -1.596) 2.529 2.589 ( -1.962 0.000 1.596) 2.529 2.664 ( 1.719 0.000 -1.853) 2.528 2.664 ( 1.719 0.000 1.853) 2.528 2.719 ( 0.600 0.000 -0.348) 0.694 2.719 ( 0.600 0.000 0.348) 0.694 2.754 ( -3.798 0.000 -1.947) 4.268 2.754 ( -3.798 0.000 1.947) 4.268 2.773 ( -3.593 0.000 -1.961) 4.093 2.773 ( -3.593 0.000 1.961) 4.093 2.809 ( -2.605 0.000 -0.717) 2.702 2.809 ( -2.605 0.000 0.717) 2.702 2.826 ( -0.689 0.000 -0.949) 1.173 2.826 ( -0.689 0.000 0.949) 1.173 2.903 ( -1.555 0.000 -5.010) 5.246 2.903 ( -1.555 0.000 5.010) 5.246 2.929 ( -4.581 0.000 -4.604) 6.495 2.929 ( -4.581 0.000 4.604) 6.495 2.967 ( -3.915 0.000 -0.260) 3.924 2.967 ( -3.915 0.000 0.260) 3.924 3.061 ( -0.162 0.000 -4.959) 4.962 3.061 ( -0.162 0.000 4.959) 4.962 3.096 ( 2.134 0.000 -1.997) 2.923 3.096 ( 2.134 0.000 1.997) 2.923 3.142 ( 1.501 0.000 -3.075) 3.421 3.142 ( 1.501 0.000 3.075) 3.421 3.215 ( -0.414 0.000 -1.765) 1.813 3.215 ( -0.414 0.000 1.765) 1.813 3.310 ( -3.800 0.000 -2.100) 4.342 3.310 ( -3.800 0.000 2.100) 4.342 3.346 ( -5.422 0.000 -1.388) 5.597 3.346 ( -5.422 0.000 1.388) 5.597 3.442 ( 0.867 0.000 -1.079) 1.385 3.442 ( 0.867 0.000 1.079) 1.385 3.475 ( -2.412 0.000 -0.052) 2.413 3.475 ( -2.412 0.000 0.052) 2.413 3.520 ( -2.095 0.000 -1.921) 2.843 3.520 ( -2.095 0.000 1.921) 2.843 3.557 ( -2.938 0.000 -1.282) 3.205 3.557 ( -2.938 0.000 1.282) 3.205 3.835 ( 1.880 0.000 -3.020) 3.558 3.835 ( 1.880 0.000 3.020) 3.558 3.933 ( -0.430 0.000 -4.287) 4.308 3.933 ( -0.430 0.000 4.287) 4.308 3.963 ( -0.682 0.000 -4.253) 4.308 3.963 ( -0.682 0.000 4.253) 4.308 4.064 ( -1.350 0.000 -5.601) 5.762 4.064 ( -1.350 0.000 5.601) 5.762 4.286 ( 1.708 0.000 -2.507) 3.034 4.286 ( 1.708 0.000 2.507) 3.034 4.364 ( 0.512 0.000 -1.494) 1.579 4.364 ( 0.512 0.000 1.494) 1.579 4.387 ( -0.889 0.000 -0.820) 1.209 4.387 ( -0.889 0.000 0.820) 1.209 4.404 ( 0.778 0.000 -0.322) 0.842 4.404 ( 0.778 0.000 0.322) 0.842 4.828 ( 6.204 0.000 -1.120) 6.305 4.828 ( 6.204 0.000 1.120) 6.305 4.884 ( 6.380 0.000 -1.344) 6.520 4.884 ( 6.380 0.000 1.344) 6.520 4.985 ( 0.709 0.000 -0.739) 1.024 4.985 ( 0.709 0.000 0.739) 1.024 5.090 ( -0.539 0.000 -0.081) 0.545 5.090 ( -0.539 0.000 0.081) 0.545 5.148 ( -2.626 0.000 -1.037) 2.824 5.148 ( -2.626 0.000 1.037) 2.824 5.159 ( -3.216 0.000 -0.539) 3.261 5.159 ( -3.216 0.000 0.539) 3.261 5.227 ( 0.537 0.000 -0.436) 0.692 5.227 ( 0.537 0.000 0.436) 0.692 5.310 ( -1.893 0.000 -1.560) 2.453 5.310 ( -1.893 0.000 1.560) 2.453 5.468 ( 0.013 0.000 -1.119) 1.119 5.468 ( 0.013 0.000 1.119) 1.119 5.474 ( 0.655 0.000 -0.659) 0.929 5.474 ( 0.655 0.000 0.659) 0.929 5.500 ( 0.261 0.000 -0.266) 0.373 5.500 ( 0.261 0.000 0.266) 0.373 5.570 ( -1.933 0.000 -1.391) 2.382 5.570 ( -1.933 0.000 1.391) 2.382 5.970 ( 3.908 0.000 -1.071) 4.052 5.970 ( 3.908 0.000 1.071) 4.052 6.005 ( 2.440 0.000 -0.632) 2.521 6.005 ( 2.440 0.000 0.632) 2.521 6.059 ( 0.718 0.000 -1.307) 1.491 6.059 ( 0.718 0.000 1.307) 1.491 6.087 ( -0.014 0.000 -3.640) 3.640 6.087 ( -0.014 0.000 3.640) 3.640 6.170 ( 3.679 0.000 -1.096) 3.839 6.170 ( 3.679 0.000 1.096) 3.839 6.286 ( -3.881 0.000 -2.293) 4.508 6.286 ( -3.881 0.000 2.293) 4.508 6.305 ( -2.790 0.000 -0.599) 2.853 6.305 ( -2.790 0.000 0.599) 2.853 6.366 ( -0.709 0.000 -0.237) 0.748 6.366 ( -0.709 0.000 0.237) 0.748 6.421 ( -2.116 0.000 -1.151) 2.409 6.421 ( -2.116 0.000 1.151) 2.409 6.472 ( -0.044 0.000 -0.941) 0.942 6.472 ( -0.044 0.000 0.941) 0.942 6.491 ( -0.364 0.000 -0.610) 0.710 6.491 ( -0.364 0.000 0.610) 0.710 6.522 ( -1.768 0.000 -2.508) 3.069 6.522 ( -1.768 0.000 2.508) 3.069 6.576 ( 2.051 0.000 -1.022) 2.291 6.576 ( 2.051 0.000 1.022) 2.291 6.661 ( -1.397 0.000 -2.359) 2.742 6.661 ( -1.397 0.000 2.359) 2.742 6.730 ( 3.686 0.000 -3.307) 4.952 6.730 ( 3.686 0.000 3.307) 4.952 6.747 ( 2.114 0.000 -2.492) 3.268 6.747 ( 2.114 0.000 2.492) 3.268 7.584 ( 0.637 0.000 -1.503) 1.632 7.584 ( 0.637 0.000 1.503) 1.632 7.603 ( 0.508 0.000 -1.512) 1.595 7.603 ( 0.508 0.000 1.512) 1.595 7.629 ( -1.090 0.000 -1.702) 2.021 7.629 ( -1.090 0.000 1.702) 2.021 7.648 ( -1.397 0.000 -1.406) 1.982 7.648 ( -1.397 0.000 1.406) 1.982 7.753 ( 2.036 0.000 -0.055) 2.037 7.753 ( 2.036 0.000 0.055) 2.037 7.826 ( 2.148 0.000 -0.173) 2.155 7.826 ( 2.148 0.000 0.173) 2.155 7.842 ( -0.596 0.000 -0.546) 0.808 7.842 ( -0.596 0.000 0.546) 0.808 7.958 ( -2.107 0.000 -2.141) 3.004 7.958 ( -2.107 0.000 2.141) 3.004 ======================= Grid point 54 (21/27) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -4.348 0.000 -1.581) 4.626 0.699 ( 4.348 0.000 -1.581) 4.626 0.699 ( -4.348 0.000 1.581) 4.626 0.699 ( 4.348 0.000 1.581) 4.626 0.801 ( -3.100 0.000 -1.340) 3.377 0.801 ( 3.100 0.000 -1.340) 3.377 0.801 ( -3.100 0.000 1.340) 3.377 0.801 ( 3.100 0.000 1.340) 3.377 0.974 ( -1.223 0.000 -5.434) 5.570 0.974 ( 1.223 0.000 -5.434) 5.570 0.974 ( -1.223 0.000 5.434) 5.570 0.974 ( 1.223 0.000 5.434) 5.570 1.026 ( -2.547 0.000 -1.379) 2.897 1.026 ( 2.547 0.000 -1.379) 2.897 1.026 ( -2.547 0.000 1.379) 2.897 1.026 ( 2.547 0.000 1.379) 2.897 1.174 ( -1.254 0.000 -0.312) 1.292 1.174 ( -1.254 0.000 0.312) 1.292 1.174 ( 1.254 0.000 -0.312) 1.292 1.174 ( 1.254 0.000 0.312) 1.292 1.303 ( -1.846 0.000 -1.148) 2.174 1.303 ( 1.846 0.000 -1.148) 2.174 1.303 ( -1.846 0.000 1.148) 2.174 1.303 ( 1.846 0.000 1.148) 2.174 1.354 ( -1.320 0.000 -0.349) 1.366 1.354 ( -1.320 0.000 0.349) 1.366 1.354 ( 1.320 0.000 -0.349) 1.366 1.354 ( 1.320 0.000 0.349) 1.366 1.400 ( -1.706 0.000 -7.716) 7.902 1.400 ( 1.706 0.000 -7.716) 7.902 1.400 ( -1.706 0.000 7.716) 7.902 1.400 ( 1.706 0.000 7.716) 7.902 1.479 ( -3.263 0.000 -4.511) 5.568 1.479 ( 3.263 0.000 -4.511) 5.568 1.479 ( -3.263 0.000 4.511) 5.568 1.479 ( 3.263 0.000 4.511) 5.568 1.547 ( -1.886 0.000 -0.447) 1.938 1.547 ( -1.886 0.000 0.447) 1.938 1.547 ( 1.886 0.000 -0.447) 1.938 1.547 ( 1.886 0.000 0.447) 1.938 1.568 ( -2.337 0.000 -1.585) 2.823 1.568 ( 2.337 0.000 -1.585) 2.823 1.568 ( -2.337 0.000 1.585) 2.823 1.568 ( 2.337 0.000 1.585) 2.823 1.720 ( -4.157 0.000 -3.124) 5.200 1.720 ( 4.157 0.000 -3.124) 5.200 1.720 ( -4.157 0.000 3.124) 5.200 1.720 ( 4.157 0.000 3.124) 5.200 1.792 ( -5.792 0.000 -4.174) 7.140 1.792 ( 5.792 0.000 -4.174) 7.140 1.792 ( -5.792 0.000 4.174) 7.140 1.792 ( 5.792 0.000 4.174) 7.140 1.905 ( -5.567 0.000 -4.245) 7.001 1.905 ( 5.567 0.000 -4.245) 7.001 1.905 ( -5.567 0.000 4.245) 7.001 1.905 ( 5.567 0.000 4.245) 7.001 1.990 ( -2.570 0.000 -0.099) 2.572 1.990 ( -2.570 0.000 0.099) 2.572 1.990 ( 2.570 0.000 -0.099) 2.572 1.990 ( 2.570 0.000 0.099) 2.572 2.088 ( -2.610 0.000 -0.048) 2.610 2.088 ( -2.610 0.000 0.048) 2.610 2.088 ( 2.610 0.000 -0.048) 2.610 2.088 ( 2.610 0.000 0.048) 2.610 2.149 ( -3.372 0.000 -5.233) 6.225 2.149 ( 3.372 0.000 -5.233) 6.225 2.149 ( -3.372 0.000 5.233) 6.225 2.149 ( 3.372 0.000 5.233) 6.225 2.197 ( -4.548 0.000 -0.757) 4.611 2.197 ( -4.548 0.000 0.757) 4.611 2.197 ( 4.548 0.000 -0.757) 4.611 2.197 ( 4.548 0.000 0.757) 4.611 2.299 ( -1.919 0.000 -3.002) 3.563 2.299 ( 1.919 0.000 -3.002) 3.563 2.299 ( -1.919 0.000 3.002) 3.563 2.299 ( 1.919 0.000 3.002) 3.563 2.399 ( -1.111 0.000 -4.317) 4.458 2.399 ( 1.111 0.000 -4.317) 4.458 2.399 ( -1.111 0.000 4.317) 4.458 2.399 ( 1.111 0.000 4.317) 4.458 2.467 ( -2.933 0.000 -2.638) 3.945 2.467 ( 2.933 0.000 -2.638) 3.945 2.467 ( -2.933 0.000 2.638) 3.945 2.467 ( 2.933 0.000 2.638) 3.945 2.562 ( -2.990 0.000 -1.015) 3.157 2.562 ( 2.990 0.000 -1.015) 3.157 2.562 ( -2.990 0.000 1.015) 3.157 2.562 ( 2.990 0.000 1.015) 3.157 2.590 ( -5.912 0.000 -0.190) 5.915 2.590 ( -5.912 0.000 0.190) 5.915 2.590 ( 5.912 0.000 -0.190) 5.915 2.590 ( 5.912 0.000 0.190) 5.915 2.698 ( -2.320 0.000 -1.469) 2.746 2.698 ( 2.320 0.000 -1.469) 2.746 2.698 ( -2.320 0.000 1.469) 2.746 2.698 ( 2.320 0.000 1.469) 2.746 2.761 ( -3.169 0.000 -1.654) 3.575 2.761 ( 3.169 0.000 -1.654) 3.575 2.761 ( -3.169 0.000 1.654) 3.575 2.761 ( 3.169 0.000 1.654) 3.575 2.845 ( -4.354 0.000 -0.667) 4.405 2.845 ( -4.354 0.000 0.667) 4.405 2.845 ( 4.354 0.000 -0.667) 4.405 2.845 ( 4.354 0.000 0.667) 4.405 2.890 ( -0.839 0.000 -4.955) 5.025 2.890 ( 0.839 0.000 -4.955) 5.025 2.890 ( -0.839 0.000 4.955) 5.025 2.890 ( 0.839 0.000 4.955) 5.025 3.093 ( -2.260 0.000 -1.685) 2.819 3.093 ( 2.260 0.000 -1.685) 2.819 3.093 ( -2.260 0.000 1.685) 2.819 3.093 ( 2.260 0.000 1.685) 2.819 3.205 ( -4.137 0.000 -3.350) 5.324 3.205 ( 4.137 0.000 -3.350) 5.324 3.205 ( -4.137 0.000 3.350) 5.324 3.205 ( 4.137 0.000 3.350) 5.324 3.251 ( -3.141 0.000 -2.087) 3.771 3.251 ( 3.141 0.000 -2.087) 3.771 3.251 ( -3.141 0.000 2.087) 3.771 3.251 ( 3.141 0.000 2.087) 3.771 3.449 ( -0.693 0.000 -0.586) 0.908 3.449 ( 0.693 0.000 -0.586) 0.908 3.449 ( -0.693 0.000 0.586) 0.908 3.449 ( 0.693 0.000 0.586) 0.908 3.504 ( -1.339 0.000 -0.450) 1.413 3.504 ( 1.339 0.000 -0.450) 1.413 3.504 ( -1.339 0.000 0.450) 1.413 3.504 ( 1.339 0.000 0.450) 1.413 3.880 ( -2.265 0.000 -2.166) 3.134 3.880 ( 2.265 0.000 -2.166) 3.134 3.880 ( -2.265 0.000 2.166) 3.134 3.880 ( 2.265 0.000 2.166) 3.134 4.017 ( -2.836 0.000 -5.965) 6.605 4.017 ( 2.836 0.000 -5.965) 6.605 4.017 ( -2.836 0.000 5.965) 6.605 4.017 ( 2.836 0.000 5.965) 6.605 4.335 ( -2.492 0.000 -0.796) 2.617 4.335 ( -2.492 0.000 0.796) 2.617 4.335 ( 2.492 0.000 -0.796) 2.617 4.335 ( 2.492 0.000 0.796) 2.617 4.397 ( -1.195 0.000 -0.676) 1.373 4.397 ( 1.195 0.000 -0.676) 1.373 4.397 ( -1.195 0.000 0.676) 1.373 4.397 ( 1.195 0.000 0.676) 1.373 4.959 ( -4.311 0.000 -1.215) 4.479 4.959 ( -4.311 0.000 1.215) 4.479 4.959 ( 4.311 0.000 -1.215) 4.479 4.959 ( 4.311 0.000 1.215) 4.479 5.035 ( -6.769 0.000 -0.077) 6.770 5.035 ( -6.769 0.000 0.077) 6.770 5.035 ( 6.769 0.000 -0.077) 6.770 5.035 ( 6.769 0.000 0.077) 6.770 5.095 ( -1.799 0.000 -0.799) 1.969 5.095 ( 1.799 0.000 -0.799) 1.969 5.095 ( -1.799 0.000 0.799) 1.969 5.095 ( 1.799 0.000 0.799) 1.969 5.262 ( -2.323 0.000 -0.255) 2.337 5.262 ( -2.323 0.000 0.255) 2.337 5.262 ( 2.323 0.000 -0.255) 2.337 5.262 ( 2.323 0.000 0.255) 2.337 5.471 ( -0.426 0.000 -0.968) 1.058 5.471 ( 0.426 0.000 -0.968) 1.058 5.471 ( -0.426 0.000 0.968) 1.058 5.471 ( 0.426 0.000 0.968) 1.058 5.529 ( -1.842 0.000 -0.489) 1.906 5.529 ( -1.842 0.000 0.489) 1.906 5.529 ( 1.842 0.000 -0.489) 1.906 5.529 ( 1.842 0.000 0.489) 1.906 6.033 ( -1.722 0.000 -3.842) 4.210 6.033 ( 1.722 0.000 -3.842) 4.210 6.033 ( -1.722 0.000 3.842) 4.210 6.033 ( 1.722 0.000 3.842) 4.210 6.072 ( -1.974 0.000 -1.785) 2.661 6.072 ( 1.974 0.000 -1.785) 2.661 6.072 ( -1.974 0.000 1.785) 2.661 6.072 ( 1.974 0.000 1.785) 2.661 6.243 ( -1.738 0.000 -0.787) 1.908 6.243 ( 1.738 0.000 -0.787) 1.908 6.243 ( -1.738 0.000 0.787) 1.908 6.243 ( 1.738 0.000 0.787) 1.908 6.284 ( -5.067 0.000 -1.492) 5.282 6.284 ( -5.067 0.000 1.492) 5.282 6.284 ( 5.067 0.000 -1.492) 5.282 6.284 ( 5.067 0.000 1.492) 5.282 6.449 ( -2.560 0.000 -0.745) 2.666 6.449 ( -2.560 0.000 0.745) 2.666 6.449 ( 2.560 0.000 -0.745) 2.666 6.449 ( 2.560 0.000 0.745) 2.666 6.492 ( -1.200 0.000 -0.263) 1.228 6.492 ( -1.200 0.000 0.263) 1.228 6.492 ( 1.200 0.000 -0.263) 1.228 6.492 ( 1.200 0.000 0.263) 1.228 6.624 ( -2.079 0.000 -1.931) 2.838 6.624 ( 2.079 0.000 -1.931) 2.838 6.624 ( -2.079 0.000 1.931) 2.838 6.624 ( 2.079 0.000 1.931) 2.838 6.771 ( -0.379 0.000 -3.726) 3.746 6.771 ( 0.379 0.000 -3.726) 3.746 6.771 ( -0.379 0.000 3.726) 3.746 6.771 ( 0.379 0.000 3.726) 3.746 7.604 ( -1.127 0.000 -1.655) 2.002 7.604 ( 1.127 0.000 -1.655) 2.002 7.604 ( -1.127 0.000 1.655) 2.002 7.604 ( 1.127 0.000 1.655) 2.002 7.620 ( -1.053 0.000 -1.631) 1.942 7.620 ( 1.053 0.000 -1.631) 1.942 7.620 ( -1.053 0.000 1.631) 1.942 7.620 ( 1.053 0.000 1.631) 1.942 7.801 ( -2.151 0.000 -0.521) 2.213 7.801 ( -2.151 0.000 0.521) 2.213 7.801 ( 2.151 0.000 -0.521) 2.213 7.801 ( 2.151 0.000 0.521) 2.213 7.898 ( -3.231 0.000 -1.139) 3.426 7.898 ( 3.231 0.000 -1.139) 3.426 7.898 ( -3.231 0.000 1.139) 3.426 7.898 ( 3.231 0.000 1.139) 3.426 ======================= Grid point 60 (22/27) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 0.000 3.571 -10.775) 11.351 0.572 ( 0.000 3.571 10.775) 11.351 0.716 ( 0.000 2.005 -11.559) 11.732 0.716 ( 0.000 2.005 11.559) 11.732 0.789 ( 0.000 -6.503 -3.174) 7.237 0.789 ( 0.000 -6.503 3.174) 7.237 0.859 ( 0.000 -3.747 -5.229) 6.433 0.859 ( 0.000 -3.747 5.229) 6.433 0.943 ( 0.000 0.504 -0.247) 0.561 0.943 ( 0.000 0.504 0.247) 0.561 0.999 ( 0.000 1.967 -2.141) 2.908 0.999 ( 0.000 1.967 2.141) 2.908 1.071 ( 0.000 -0.585 -3.712) 3.757 1.071 ( 0.000 -0.585 3.712) 3.757 1.074 ( 0.000 -1.073 -2.986) 3.172 1.074 ( 0.000 -1.073 2.986) 3.172 1.157 ( 0.000 2.118 -5.956) 6.321 1.157 ( 0.000 2.118 5.956) 6.321 1.173 ( 0.000 -2.635 -2.390) 3.558 1.173 ( 0.000 -2.635 2.390) 3.558 1.192 ( 0.000 3.557 -7.679) 8.463 1.192 ( 0.000 3.557 7.679) 8.463 1.210 ( 0.000 -0.588 -2.158) 2.237 1.210 ( 0.000 -0.588 2.158) 2.237 1.302 ( 0.000 -2.441 -9.120) 9.441 1.302 ( 0.000 -2.441 9.120) 9.441 1.333 ( 0.000 1.000 -1.862) 2.113 1.333 ( 0.000 1.000 1.862) 2.113 1.359 ( 0.000 1.819 -0.872) 2.017 1.359 ( 0.000 1.819 0.872) 2.017 1.394 ( 0.000 -1.491 -5.835) 6.022 1.394 ( 0.000 -1.491 5.835) 6.022 1.402 ( 0.000 -2.833 -2.897) 4.052 1.402 ( 0.000 -2.833 2.897) 4.052 1.444 ( 0.000 -2.791 -2.044) 3.459 1.444 ( 0.000 -2.791 2.044) 3.459 1.445 ( 0.000 -2.406 -2.729) 3.638 1.445 ( 0.000 -2.406 2.729) 3.638 1.541 ( 0.000 -1.100 -4.917) 5.039 1.541 ( 0.000 -1.100 4.917) 5.039 1.557 ( 0.000 2.740 -1.599) 3.172 1.557 ( 0.000 2.740 1.599) 3.172 1.557 ( 0.000 0.642 -3.478) 3.537 1.557 ( 0.000 0.642 3.478) 3.537 1.658 ( 0.000 4.420 -4.046) 5.992 1.658 ( 0.000 4.420 4.046) 5.992 1.681 ( 0.000 -0.733 -2.531) 2.635 1.681 ( 0.000 -0.733 2.531) 2.635 1.756 ( 0.000 -2.577 -0.395) 2.607 1.756 ( 0.000 -2.577 0.395) 2.607 1.774 ( 0.000 1.009 -1.442) 1.760 1.774 ( 0.000 1.009 1.442) 1.760 1.861 ( 0.000 1.468 -1.097) 1.833 1.861 ( 0.000 1.468 1.097) 1.833 1.920 ( 0.000 0.657 -2.091) 2.191 1.920 ( 0.000 0.657 2.091) 2.191 1.991 ( 0.000 0.497 -4.363) 4.391 1.991 ( 0.000 0.497 4.363) 4.391 2.009 ( 0.000 -2.265 -4.511) 5.047 2.009 ( 0.000 -2.265 4.511) 5.047 2.063 ( 0.000 -1.230 -2.857) 3.110 2.063 ( 0.000 -1.230 2.857) 3.110 2.071 ( 0.000 -1.862 -1.399) 2.329 2.071 ( 0.000 -1.862 1.399) 2.329 2.134 ( 0.000 -0.526 -3.346) 3.387 2.134 ( 0.000 -0.526 3.346) 3.387 2.139 ( 0.000 -2.013 -1.543) 2.536 2.139 ( 0.000 -2.013 1.543) 2.536 2.176 ( 0.000 1.609 -2.744) 3.181 2.176 ( 0.000 1.609 2.744) 3.181 2.202 ( 0.000 -0.493 -1.460) 1.541 2.202 ( 0.000 -0.493 1.460) 1.541 2.279 ( 0.000 -1.697 -5.480) 5.737 2.279 ( 0.000 -1.697 5.480) 5.737 2.303 ( 0.000 1.826 -6.740) 6.983 2.303 ( 0.000 1.826 6.740) 6.983 2.348 ( 0.000 1.150 -0.203) 1.167 2.348 ( 0.000 1.150 0.203) 1.167 2.375 ( 0.000 1.795 -3.143) 3.620 2.375 ( 0.000 1.795 3.143) 3.620 2.427 ( 0.000 2.937 -0.059) 2.937 2.427 ( 0.000 2.937 0.059) 2.937 2.497 ( 0.000 -3.480 -0.770) 3.564 2.497 ( 0.000 -3.480 0.770) 3.564 2.516 ( 0.000 1.410 -0.800) 1.621 2.516 ( 0.000 1.410 0.800) 1.621 2.538 ( 0.000 0.102 -1.651) 1.654 2.538 ( 0.000 0.102 1.651) 1.654 2.623 ( 0.000 4.129 -0.989) 4.245 2.623 ( 0.000 4.129 0.989) 4.245 2.672 ( 0.000 0.395 -3.495) 3.517 2.672 ( 0.000 0.395 3.495) 3.517 2.704 ( 0.000 -1.421 -2.078) 2.517 2.704 ( 0.000 -1.421 2.078) 2.517 2.756 ( 0.000 -1.255 -3.104) 3.348 2.756 ( 0.000 -1.255 3.104) 3.348 2.817 ( 0.000 -1.053 -0.739) 1.286 2.817 ( 0.000 -1.053 0.739) 1.286 2.846 ( 0.000 0.261 -5.826) 5.832 2.846 ( 0.000 0.261 5.826) 5.832 2.879 ( 0.000 2.780 -1.971) 3.408 2.879 ( 0.000 2.780 1.971) 3.408 2.930 ( 0.000 0.131 -2.590) 2.594 2.930 ( 0.000 0.131 2.590) 2.594 2.986 ( 0.000 0.962 -1.594) 1.862 2.986 ( 0.000 0.962 1.594) 1.862 3.032 ( 0.000 0.243 -2.018) 2.032 3.032 ( 0.000 0.243 2.018) 2.032 3.084 ( 0.000 2.422 -1.758) 2.993 3.084 ( 0.000 2.422 1.758) 2.993 3.087 ( 0.000 1.319 -2.601) 2.916 3.087 ( 0.000 1.319 2.601) 2.916 3.134 ( 0.000 0.579 -3.964) 4.006 3.134 ( 0.000 0.579 3.964) 4.006 3.202 ( 0.000 -1.855 -2.176) 2.860 3.202 ( 0.000 -1.855 2.176) 2.860 3.373 ( 0.000 -1.077 -0.463) 1.172 3.373 ( 0.000 -1.077 0.463) 1.172 3.377 ( 0.000 -1.707 -0.761) 1.869 3.377 ( 0.000 -1.707 0.761) 1.869 3.424 ( 0.000 -0.208 -0.537) 0.576 3.424 ( 0.000 -0.208 0.537) 0.576 3.473 ( 0.000 -3.308 -0.164) 3.312 3.473 ( 0.000 -3.308 0.164) 3.312 3.550 ( 0.000 0.399 -1.876) 1.918 3.550 ( 0.000 0.399 1.876) 1.918 3.584 ( 0.000 -0.963 -1.090) 1.455 3.584 ( 0.000 -0.963 1.090) 1.455 3.846 ( 0.000 2.432 -4.133) 4.796 3.846 ( 0.000 2.432 4.133) 4.796 3.893 ( 0.000 -0.995 -5.599) 5.687 3.893 ( 0.000 -0.995 5.599) 5.687 4.036 ( 0.000 0.894 -3.022) 3.151 4.036 ( 0.000 0.894 3.022) 3.151 4.067 ( 0.000 -0.745 -4.565) 4.626 4.067 ( 0.000 -0.745 4.565) 4.626 4.284 ( 0.000 1.556 -3.317) 3.664 4.284 ( 0.000 1.556 3.317) 3.664 4.341 ( 0.000 -0.882 -2.334) 2.494 4.341 ( 0.000 -0.882 2.334) 2.494 4.377 ( 0.000 0.102 -1.971) 1.973 4.377 ( 0.000 0.102 1.971) 1.973 4.400 ( 0.000 -0.694 -0.107) 0.702 4.400 ( 0.000 -0.694 0.107) 0.702 4.759 ( 0.000 0.829 -1.796) 1.978 4.759 ( 0.000 0.829 1.796) 1.978 4.796 ( 0.000 -0.865 -2.087) 2.259 4.796 ( 0.000 -0.865 2.087) 2.259 4.997 ( 0.000 2.437 -0.446) 2.478 4.997 ( 0.000 2.437 0.446) 2.478 5.087 ( 0.000 -1.117 -0.780) 1.362 5.087 ( 0.000 -1.117 0.780) 1.362 5.169 ( 0.000 0.476 -0.190) 0.513 5.169 ( 0.000 0.476 0.190) 0.513 5.193 ( 0.000 -0.442 -0.973) 1.069 5.193 ( 0.000 -0.442 0.973) 1.069 5.246 ( 0.000 1.738 -1.498) 2.295 5.246 ( 0.000 1.738 1.498) 2.295 5.320 ( 0.000 -1.389 -2.643) 2.985 5.320 ( 0.000 -1.389 2.643) 2.985 5.463 ( 0.000 0.674 -1.271) 1.439 5.463 ( 0.000 0.674 1.271) 1.439 5.473 ( 0.000 0.029 -0.261) 0.263 5.473 ( 0.000 0.029 0.261) 0.263 5.510 ( 0.000 0.914 -0.296) 0.960 5.510 ( 0.000 0.914 0.296) 0.960 5.580 ( 0.000 -1.871 -1.713) 2.536 5.580 ( 0.000 -1.871 1.713) 2.536 5.919 ( 0.000 0.834 -0.925) 1.245 5.919 ( 0.000 0.834 0.925) 1.245 5.963 ( 0.000 -1.012 -1.751) 2.022 5.963 ( 0.000 -1.012 1.751) 2.022 6.054 ( 0.000 -0.173 -2.190) 2.197 6.054 ( 0.000 -0.173 2.190) 2.197 6.057 ( 0.000 -0.219 -1.445) 1.462 6.057 ( 0.000 -0.219 1.445) 1.462 6.178 ( 0.000 2.811 -6.847) 7.402 6.178 ( 0.000 2.811 6.847) 7.402 6.322 ( 0.000 -1.190 -0.959) 1.529 6.322 ( 0.000 -1.190 0.959) 1.529 6.353 ( 0.000 0.021 -1.714) 1.715 6.353 ( 0.000 0.021 1.714) 1.715 6.358 ( 0.000 0.920 -0.838) 1.245 6.358 ( 0.000 0.920 0.838) 1.245 6.449 ( 0.000 -5.190 -2.214) 5.642 6.449 ( 0.000 -5.190 2.214) 5.642 6.465 ( 0.000 -1.361 -0.868) 1.614 6.465 ( 0.000 -1.361 0.868) 1.614 6.490 ( 0.000 0.707 -2.917) 3.001 6.490 ( 0.000 0.707 2.917) 3.001 6.531 ( 0.000 -1.077 -2.423) 2.651 6.531 ( 0.000 -1.077 2.423) 2.651 6.559 ( 0.000 0.684 -0.762) 1.024 6.559 ( 0.000 0.684 0.762) 1.024 6.606 ( 0.000 -2.114 -3.078) 3.734 6.606 ( 0.000 -2.114 3.078) 3.734 6.687 ( 0.000 -0.194 -2.726) 2.733 6.687 ( 0.000 -0.194 2.726) 2.733 6.698 ( 0.000 -0.919 -1.533) 1.787 6.698 ( 0.000 -0.919 1.533) 1.787 7.588 ( 0.000 0.697 -1.605) 1.750 7.588 ( 0.000 0.697 1.605) 1.750 7.597 ( 0.000 -0.024 -1.422) 1.423 7.597 ( 0.000 -0.024 1.422) 1.423 7.646 ( 0.000 0.205 -1.485) 1.499 7.646 ( 0.000 0.205 1.485) 1.499 7.662 ( 0.000 -0.514 -1.008) 1.131 7.662 ( 0.000 -0.514 1.008) 1.131 7.738 ( 0.000 1.022 -0.482) 1.130 7.738 ( 0.000 1.022 0.482) 1.130 7.783 ( 0.000 -0.972 -0.855) 1.294 7.783 ( 0.000 -0.972 0.855) 1.294 7.898 ( 0.000 3.603 -1.777) 4.018 7.898 ( 0.000 3.603 1.777) 4.018 7.976 ( 0.000 -0.670 -2.624) 2.708 7.976 ( 0.000 -0.670 2.624) 2.708 ======================= Grid point 62 (23/27) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 3.837 2.799 -6.879) 8.359 0.618 ( 3.837 2.799 6.879) 8.359 0.709 ( 0.618 2.228 -9.398) 9.678 0.709 ( 0.618 2.228 9.398) 9.678 0.810 ( 0.679 -5.200 -2.804) 5.946 0.810 ( 0.679 -5.200 2.804) 5.946 0.858 ( 0.520 -3.660 -4.267) 5.646 0.858 ( 0.520 -3.660 4.267) 5.646 0.909 ( -2.356 -0.311 -2.984) 3.815 0.909 ( -2.356 -0.311 2.984) 3.815 0.953 ( -3.709 0.935 -0.561) 3.866 0.953 ( -3.709 0.935 0.561) 3.866 1.018 ( -4.099 -2.424 -2.165) 5.231 1.018 ( -4.099 -2.424 2.165) 5.231 1.056 ( -1.881 -3.377 -2.963) 4.870 1.056 ( -1.881 -3.377 2.963) 4.870 1.146 ( 0.744 -0.531 -1.828) 2.044 1.146 ( 0.744 -0.531 1.828) 2.044 1.200 ( 1.562 -0.596 -2.951) 3.392 1.200 ( 1.562 -0.596 2.951) 3.392 1.262 ( 2.089 -0.412 -5.143) 5.567 1.262 ( 2.089 -0.412 5.143) 5.567 1.285 ( 0.003 -1.014 -1.145) 1.530 1.285 ( 0.003 -1.014 1.145) 1.530 1.297 ( 2.956 1.748 -0.947) 3.563 1.297 ( 2.956 1.748 0.947) 3.563 1.332 ( 0.339 -1.165 -5.792) 5.917 1.332 ( 0.339 -1.165 5.792) 5.917 1.358 ( 4.488 1.739 -4.469) 6.568 1.358 ( 4.488 1.739 4.469) 6.568 1.394 ( 1.395 0.153 -5.078) 5.269 1.394 ( 1.395 0.153 5.078) 5.269 1.431 ( 0.176 -0.973 -2.341) 2.542 1.431 ( 0.176 -0.973 2.341) 2.542 1.470 ( 2.452 -0.316 -2.092) 3.238 1.470 ( 2.452 -0.316 2.092) 3.238 1.513 ( 1.880 -0.740 -2.364) 3.110 1.513 ( 1.880 -0.740 2.364) 3.110 1.542 ( 0.371 1.544 -1.374) 2.100 1.542 ( 0.371 1.544 1.374) 2.100 1.564 ( 1.868 -0.082 -3.080) 3.603 1.564 ( 1.868 -0.082 3.080) 3.603 1.596 ( 2.523 -0.311 -3.074) 3.989 1.596 ( 2.523 -0.311 3.074) 3.989 1.660 ( 2.194 1.757 -2.803) 3.970 1.660 ( 2.194 1.757 2.803) 3.970 1.745 ( -0.551 -0.374 -2.040) 2.146 1.745 ( -0.551 -0.374 2.040) 2.146 1.767 ( 3.500 2.138 -2.815) 4.975 1.767 ( 3.500 2.138 2.815) 4.975 1.800 ( 2.505 1.549 -1.449) 3.282 1.800 ( 2.505 1.549 1.449) 3.282 1.875 ( 0.046 0.978 -0.529) 1.113 1.875 ( 0.046 0.978 0.529) 1.113 1.932 ( 2.148 0.594 -2.491) 3.342 1.932 ( 2.148 0.594 2.491) 3.342 1.985 ( -0.280 -1.833 -2.421) 3.049 1.985 ( -0.280 -1.833 2.421) 3.049 2.014 ( -2.522 -2.581 -2.667) 4.487 2.014 ( -2.522 -2.581 2.667) 4.487 2.042 ( 0.574 0.550 -3.487) 3.577 2.042 ( 0.574 0.550 3.487) 3.577 2.064 ( -0.887 0.283 -1.754) 1.985 2.064 ( -0.887 0.283 1.754) 1.985 2.096 ( 1.689 -1.077 -2.765) 3.415 2.096 ( 1.689 -1.077 2.765) 3.415 2.167 ( 1.200 0.598 -1.288) 1.859 2.167 ( 1.200 0.598 1.288) 1.859 2.185 ( -0.344 -1.384 -1.403) 2.000 2.185 ( -0.344 -1.384 1.403) 2.000 2.234 ( 1.190 -0.964 -2.586) 3.006 2.234 ( 1.190 -0.964 2.586) 3.006 2.278 ( 0.680 -0.871 -4.064) 4.211 2.278 ( 0.680 -0.871 4.064) 4.211 2.315 ( 1.598 0.502 -2.133) 2.712 2.315 ( 1.598 0.502 2.133) 2.712 2.334 ( -1.437 0.467 -2.046) 2.544 2.334 ( -1.437 0.467 2.046) 2.544 2.397 ( 1.486 1.935 -2.476) 3.476 2.397 ( 1.486 1.935 2.476) 3.476 2.433 ( 1.571 0.587 -0.860) 1.884 2.433 ( 1.571 0.587 0.860) 1.884 2.483 ( -0.471 1.256 -0.643) 1.487 2.483 ( -0.471 1.256 0.643) 1.487 2.523 ( -0.898 -0.769 -1.462) 1.880 2.523 ( -0.898 -0.769 1.462) 1.880 2.558 ( 1.072 -1.323 -0.995) 1.972 2.558 ( 1.072 -1.323 0.995) 1.972 2.602 ( -0.707 2.930 -0.969) 3.166 2.602 ( -0.707 2.930 0.969) 3.166 2.654 ( -2.148 -0.598 -2.640) 3.456 2.654 ( -2.148 -0.598 2.640) 3.456 2.709 ( 0.027 -0.963 -2.174) 2.378 2.709 ( 0.027 -0.963 2.174) 2.378 2.747 ( -1.045 -1.506 -4.126) 4.515 2.747 ( -1.045 -1.506 4.126) 4.515 2.768 ( -3.765 1.271 -1.102) 4.124 2.768 ( -3.765 1.271 1.102) 4.124 2.822 ( -2.674 0.363 -1.553) 3.113 2.822 ( -2.674 0.363 1.553) 3.113 2.863 ( -1.603 2.128 -2.587) 3.713 2.863 ( -1.603 2.128 2.587) 3.713 2.900 ( -0.500 1.410 -0.993) 1.796 2.900 ( -0.500 1.410 0.993) 1.796 2.925 ( -5.388 -0.824 -1.056) 5.552 2.925 ( -5.388 -0.824 1.056) 5.552 2.986 ( -3.883 1.060 -1.425) 4.269 2.986 ( -3.883 1.060 1.425) 4.269 3.076 ( -0.085 1.457 -1.855) 2.360 3.076 ( -0.085 1.457 1.855) 2.360 3.116 ( 1.166 1.525 -0.246) 1.936 3.116 ( 1.166 1.525 0.246) 1.936 3.138 ( 1.524 -0.155 -2.994) 3.363 3.138 ( 1.524 -0.155 2.994) 3.363 3.188 ( -0.357 -2.364 -2.303) 3.319 3.188 ( -0.357 -2.364 2.303) 3.319 3.307 ( -3.736 -0.399 -2.223) 4.366 3.307 ( -3.736 -0.399 2.223) 4.366 3.326 ( -4.741 -1.781 -1.968) 5.433 3.326 ( -4.741 -1.781 1.968) 5.433 3.437 ( 0.638 -0.292 -1.510) 1.665 3.437 ( 0.638 -0.292 1.510) 1.665 3.465 ( -0.915 -1.470 -0.077) 1.733 3.465 ( -0.915 -1.470 0.077) 1.733 3.518 ( -2.112 0.408 -1.855) 2.840 3.518 ( -2.112 0.408 1.855) 2.840 3.549 ( -2.875 -0.659 -1.272) 3.212 3.549 ( -2.875 -0.659 1.272) 3.212 3.864 ( 1.539 2.311 -3.470) 4.444 3.864 ( 1.539 2.311 3.470) 4.444 3.915 ( 0.927 -0.974 -3.510) 3.759 3.915 ( 0.927 -0.974 3.510) 3.759 3.995 ( -1.369 2.299 -1.507) 3.070 3.995 ( -1.369 2.299 1.507) 3.070 4.055 ( -1.225 -0.912 -4.708) 4.949 4.055 ( -1.225 -0.912 4.708) 4.949 4.299 ( 1.452 1.349 -2.636) 3.298 4.299 ( 1.452 1.349 2.636) 3.298 4.354 ( 0.809 -1.078 -2.180) 2.563 4.354 ( 0.809 -1.078 2.180) 2.563 4.385 ( -0.791 -0.143 -0.677) 1.051 4.385 ( -0.791 -0.143 0.677) 1.051 4.397 ( 0.404 -0.668 -0.300) 0.836 4.397 ( 0.404 -0.668 0.300) 0.836 4.833 ( 6.026 0.589 -1.217) 6.176 4.833 ( 6.026 0.589 1.217) 6.176 4.871 ( 6.122 -1.153 -1.306) 6.365 4.871 ( 6.122 -1.153 1.306) 6.365 5.003 ( 0.186 1.840 -0.640) 1.957 5.003 ( 0.186 1.840 0.640) 1.957 5.080 ( -0.914 -1.296 -0.445) 1.647 5.080 ( -0.914 -1.296 0.445) 1.647 5.149 ( -2.497 0.289 -0.946) 2.686 5.149 ( -2.497 0.289 0.946) 2.686 5.162 ( -2.624 0.048 -0.754) 2.730 5.162 ( -2.624 0.048 0.754) 2.730 5.243 ( 0.342 1.729 -0.894) 1.976 5.243 ( 0.342 1.729 0.894) 1.976 5.304 ( -1.336 -0.765 -1.552) 2.186 5.304 ( -1.336 -0.765 1.552) 2.186 5.469 ( 0.030 0.190 -0.735) 0.759 5.469 ( 0.030 0.190 0.735) 0.759 5.474 ( 0.287 0.023 -0.415) 0.506 5.474 ( 0.287 0.023 0.415) 0.506 5.507 ( 0.123 0.750 -0.511) 0.916 5.507 ( 0.123 0.750 0.511) 0.916 5.557 ( -1.550 -1.318 -1.296) 2.412 5.557 ( -1.550 -1.318 1.296) 2.412 5.974 ( 3.682 0.493 -1.140) 3.886 5.974 ( 3.682 0.493 1.140) 3.886 6.001 ( 2.742 -0.528 -1.544) 3.191 6.001 ( 2.742 -0.528 1.544) 3.191 6.064 ( 0.941 0.498 -1.873) 2.154 6.064 ( 0.941 0.498 1.873) 2.154 6.086 ( 0.651 -0.209 -3.101) 3.175 6.086 ( 0.651 -0.209 3.101) 3.175 6.178 ( 2.125 1.077 -2.904) 3.756 6.178 ( 2.125 1.077 2.904) 3.756 6.269 ( -3.804 -2.054 -3.312) 5.447 6.269 ( -3.804 -2.054 3.312) 5.447 6.316 ( -2.844 1.065 -0.749) 3.128 6.316 ( -2.844 1.065 0.749) 3.128 6.357 ( -1.672 -0.981 -0.298) 1.961 6.357 ( -1.672 -0.981 0.298) 1.961 6.418 ( -0.019 0.086 -0.946) 0.950 6.418 ( -0.019 0.086 0.946) 0.950 6.463 ( 0.241 -1.134 -0.308) 1.199 6.463 ( 0.241 -1.134 0.308) 1.199 6.490 ( -0.414 0.174 -1.975) 2.025 6.490 ( -0.414 0.174 1.975) 2.025 6.515 ( -1.581 -0.703 -2.780) 3.275 6.515 ( -1.581 -0.703 2.780) 3.275 6.581 ( 2.130 0.766 -0.779) 2.394 6.581 ( 2.130 0.766 0.779) 2.394 6.662 ( -0.895 -0.669 -2.527) 2.763 6.662 ( -0.895 -0.669 2.527) 2.763 6.682 ( 3.766 -2.912 -0.862) 4.838 6.682 ( 3.766 -2.912 0.862) 4.838 6.727 ( 1.392 -1.802 -2.442) 3.339 6.727 ( 1.392 -1.802 2.442) 3.339 7.592 ( 0.408 0.546 -1.549) 1.692 7.592 ( 0.408 0.546 1.549) 1.692 7.602 ( 0.442 -0.097 -1.411) 1.482 7.602 ( 0.442 -0.097 1.411) 1.482 7.631 ( -1.087 0.160 -1.629) 1.965 7.631 ( -1.087 0.160 1.629) 1.965 7.643 ( -1.317 -0.413 -1.392) 1.960 7.643 ( -1.317 -0.413 1.392) 1.960 7.767 ( 2.331 1.332 -0.240) 2.695 7.767 ( 2.331 1.332 0.240) 2.695 7.818 ( 2.837 -0.926 -0.184) 2.990 7.818 ( 2.837 -0.926 0.184) 2.990 7.876 ( -1.880 3.041 -1.247) 3.786 7.876 ( -1.880 3.041 1.247) 3.786 7.951 ( -2.198 -0.782 -2.219) 3.220 7.951 ( -2.198 -0.782 2.219) 3.220 ======================= Grid point 64 (24/27) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -3.407 1.340 -1.161) 3.841 0.708 ( -1.065 1.340 -0.429) 1.765 0.708 ( 1.065 1.340 0.429) 1.765 0.708 ( 3.407 1.340 1.161) 3.841 0.814 ( -3.281 1.319 -6.156) 7.100 0.814 ( 2.987 1.319 -6.140) 6.954 0.814 ( -2.987 1.319 6.140) 6.954 0.814 ( 3.281 1.319 6.156) 7.100 0.918 ( -0.898 -4.910 -3.209) 5.934 0.918 ( -0.014 -4.910 -3.195) 5.858 0.918 ( 0.014 -4.910 3.195) 5.858 0.918 ( 0.898 -4.910 3.209) 5.934 0.986 ( -2.598 -3.907 -1.905) 5.064 0.986 ( 0.046 -3.907 -1.697) 4.260 0.986 ( -0.046 -3.907 1.697) 4.260 0.986 ( 2.598 -3.907 1.905) 5.064 1.177 ( -1.487 0.662 -1.619) 2.296 1.177 ( 0.191 0.662 -1.543) 1.689 1.177 ( -0.191 0.662 1.543) 1.689 1.177 ( 1.487 0.662 1.619) 2.296 1.281 ( -1.244 -2.575 -2.515) 3.808 1.281 ( 1.184 -2.575 -2.512) 3.787 1.281 ( -1.184 -2.575 2.512) 3.787 1.281 ( 1.244 -2.575 2.515) 3.808 1.350 ( -0.900 -0.273 -2.566) 2.733 1.350 ( 0.605 -0.273 -2.556) 2.641 1.350 ( -0.605 -0.273 2.556) 2.641 1.350 ( 0.900 -0.273 2.566) 2.733 1.408 ( -1.348 -0.413 -4.314) 4.538 1.408 ( 1.336 -0.413 -4.313) 4.534 1.408 ( -1.336 -0.413 4.313) 4.534 1.408 ( 1.348 -0.413 4.314) 4.538 1.481 ( -3.128 1.176 -5.383) 6.336 1.481 ( 3.088 1.176 -5.381) 6.315 1.481 ( -3.088 1.176 5.381) 6.315 1.481 ( 3.128 1.176 5.383) 6.336 1.531 ( -2.698 0.303 -1.145) 2.947 1.531 ( 1.916 0.303 -0.954) 2.161 1.531 ( -1.916 0.303 0.954) 2.161 1.531 ( 2.698 0.303 1.145) 2.947 1.611 ( -3.087 2.552 -0.432) 4.028 1.611 ( -3.082 2.552 0.428) 4.024 1.611 ( 3.082 2.552 -0.428) 4.024 1.611 ( 3.087 2.552 0.432) 4.028 1.728 ( -1.105 0.136 -1.986) 2.277 1.728 ( 0.921 0.136 -1.975) 2.183 1.728 ( -0.921 0.136 1.975) 2.183 1.728 ( 1.105 0.136 1.986) 2.277 1.808 ( -3.295 1.399 -4.004) 5.371 1.808 ( 2.713 1.399 -3.955) 4.996 1.808 ( -2.713 1.399 3.955) 4.996 1.808 ( 3.295 1.399 4.004) 5.371 1.912 ( -4.290 0.966 -2.093) 4.870 1.912 ( 3.592 0.966 -1.942) 4.196 1.912 ( -3.592 0.966 1.942) 4.196 1.912 ( 4.290 0.966 2.093) 4.870 1.985 ( -1.541 -0.199 -1.046) 1.873 1.985 ( 1.494 -0.199 -1.038) 1.830 1.985 ( -1.494 -0.199 1.038) 1.830 1.985 ( 1.541 -0.199 1.046) 1.873 2.067 ( -2.311 -1.962 -0.866) 3.153 2.067 ( 0.574 -1.962 -0.439) 2.091 2.067 ( -0.574 -1.962 0.439) 2.091 2.067 ( 2.311 -1.962 0.866) 3.153 2.159 ( -1.624 0.755 -4.088) 4.463 2.159 ( 1.612 0.755 -4.087) 4.458 2.159 ( -1.612 0.755 4.087) 4.458 2.159 ( 1.624 0.755 4.088) 4.463 2.218 ( -3.135 1.340 -1.249) 3.631 2.218 ( -0.823 1.340 -0.737) 1.737 2.218 ( 0.823 1.340 0.737) 1.737 2.218 ( 3.135 1.340 1.249) 3.631 2.279 ( -0.699 -0.754 -3.090) 3.257 2.279 ( 0.695 -0.754 -3.090) 3.256 2.279 ( -0.695 -0.754 3.090) 3.256 2.279 ( 0.699 -0.754 3.090) 3.257 2.398 ( -2.597 -0.884 -3.104) 4.143 2.398 ( 1.188 -0.884 -3.007) 3.352 2.398 ( -1.188 -0.884 3.007) 3.352 2.398 ( 2.597 -0.884 3.104) 4.143 2.476 ( -3.229 0.485 -2.414) 4.060 2.476 ( 2.544 0.485 -2.321) 3.477 2.476 ( -2.544 0.485 2.321) 3.477 2.476 ( 3.229 0.485 2.414) 4.060 2.530 ( -1.777 -1.338 -1.469) 2.666 2.530 ( 1.592 -1.338 -1.445) 2.533 2.530 ( -1.592 -1.338 1.445) 2.533 2.530 ( 1.777 -1.338 1.469) 2.666 2.619 ( -3.675 1.340 -2.513) 4.650 2.619 ( 1.663 1.340 -2.263) 3.112 2.619 ( -1.663 1.340 2.263) 3.112 2.619 ( 3.675 1.340 2.513) 4.650 2.688 ( -1.698 -0.767 -1.672) 2.503 2.688 ( 1.323 -0.767 -1.634) 2.238 2.688 ( -1.323 -0.767 1.634) 2.238 2.688 ( 1.698 -0.767 1.672) 2.503 2.759 ( -2.828 -0.221 -0.380) 2.862 2.759 ( -2.614 -0.221 -0.123) 2.627 2.759 ( 2.614 -0.221 0.123) 2.627 2.759 ( 2.828 -0.221 0.380) 2.862 2.831 ( -2.569 0.095 -3.023) 3.968 2.831 ( 2.568 0.095 -3.023) 3.968 2.831 ( -2.568 0.095 3.023) 3.968 2.831 ( 2.569 0.095 3.023) 3.968 2.929 ( -1.716 2.231 -3.275) 4.318 2.929 ( 1.715 2.231 -3.275) 4.318 2.929 ( -1.715 2.231 3.275) 4.318 2.929 ( 1.716 2.231 3.275) 4.318 3.096 ( -1.648 0.296 -0.899) 1.900 3.096 ( -0.403 0.296 -0.724) 0.880 3.096 ( 0.403 0.296 0.724) 0.880 3.096 ( 1.648 0.296 0.899) 1.900 3.200 ( -2.820 -0.491 -2.207) 3.614 3.200 ( 2.764 -0.491 -2.199) 3.566 3.200 ( -2.764 -0.491 2.199) 3.566 3.200 ( 2.820 -0.491 2.207) 3.614 3.240 ( -1.918 -1.053 -1.140) 2.467 3.240 ( 1.586 -1.053 -1.081) 2.189 3.240 ( -1.586 -1.053 1.081) 2.189 3.240 ( 1.918 -1.053 1.140) 2.467 3.451 ( -0.529 0.166 -1.101) 1.233 3.451 ( 0.527 0.166 -1.101) 1.232 3.451 ( -0.527 0.166 1.101) 1.232 3.451 ( 0.529 0.166 1.101) 1.233 3.497 ( -0.946 -0.495 -0.894) 1.392 3.497 ( 0.925 -0.495 -0.892) 1.377 3.497 ( -0.925 -0.495 0.892) 1.377 3.497 ( 0.946 -0.495 0.894) 1.392 3.899 ( -1.552 1.632 -2.138) 3.105 3.899 ( 1.499 1.632 -2.134) 3.076 3.899 ( -1.499 1.632 2.134) 3.076 3.899 ( 1.552 1.632 2.138) 3.105 4.017 ( -2.111 -0.035 -4.726) 5.176 4.017 ( 2.110 -0.035 -4.726) 5.176 4.017 ( -2.110 -0.035 4.726) 5.176 4.017 ( 2.111 -0.035 4.726) 5.176 4.341 ( -2.060 0.640 -1.048) 2.398 4.341 ( 1.891 0.640 -1.012) 2.239 4.341 ( -1.891 0.640 1.012) 2.239 4.341 ( 2.060 0.640 1.048) 2.398 4.387 ( -1.118 -0.988 -1.008) 1.801 4.387 ( 1.053 -0.988 -1.000) 1.757 4.387 ( -1.053 -0.988 1.000) 1.757 4.387 ( 1.118 -0.988 1.008) 1.801 4.963 ( -4.392 0.498 -1.109) 4.557 4.963 ( -3.729 0.498 0.794) 3.845 4.963 ( 3.729 0.498 -0.794) 3.845 4.963 ( 4.392 0.498 1.109) 4.557 5.016 ( -5.694 -1.570 -0.384) 5.919 5.016 ( -5.682 -1.570 0.365) 5.906 5.016 ( 5.682 -1.570 -0.365) 5.906 5.016 ( 5.694 -1.570 0.384) 5.919 5.109 ( -0.934 0.961 -0.425) 1.406 5.109 ( 0.670 0.961 -0.366) 1.227 5.109 ( -0.670 0.961 0.366) 1.227 5.109 ( 0.934 0.961 0.425) 1.406 5.269 ( -1.676 0.648 -0.201) 1.808 5.269 ( -1.578 0.648 0.072) 1.707 5.269 ( 1.578 0.648 -0.072) 1.707 5.269 ( 1.676 0.648 0.201) 1.808 5.472 ( -0.285 0.076 -0.743) 0.799 5.472 ( 0.282 0.076 -0.743) 0.798 5.472 ( -0.282 0.076 0.743) 0.798 5.472 ( 0.285 0.076 0.743) 0.799 5.526 ( -1.302 -0.328 -0.413) 1.405 5.526 ( -0.448 -0.328 -0.067) 0.559 5.526 ( 0.448 -0.328 0.067) 0.559 5.526 ( 1.302 -0.328 0.413) 1.405 6.038 ( -1.809 0.580 -3.882) 4.322 6.038 ( 1.567 0.580 -3.870) 4.215 6.038 ( -1.567 0.580 3.870) 4.215 6.038 ( 1.809 0.580 3.882) 4.322 6.069 ( -2.269 -0.494 -2.621) 3.502 6.069 ( 1.987 -0.494 -2.596) 3.306 6.069 ( -1.987 -0.494 2.596) 3.306 6.069 ( 2.269 -0.494 2.621) 3.502 6.247 ( -2.618 0.424 -1.170) 2.898 6.247 ( 1.508 0.424 -0.927) 1.820 6.247 ( -1.508 0.424 0.927) 1.820 6.247 ( 2.618 0.424 1.170) 2.898 6.276 ( -4.920 -0.831 -1.449) 5.196 6.276 ( -4.161 -0.831 1.154) 4.397 6.276 ( 4.161 -0.831 -1.154) 4.397 6.276 ( 4.920 -0.831 1.449) 5.196 6.454 ( -2.244 0.520 -0.677) 2.401 6.454 ( -1.021 0.520 -0.119) 1.152 6.454 ( 1.021 0.520 0.119) 1.152 6.454 ( 2.244 0.520 0.677) 2.401 6.484 ( -1.164 -0.783 -0.392) 1.457 6.484 ( -0.571 -0.783 -0.199) 0.989 6.484 ( 0.571 -0.783 0.199) 0.989 6.484 ( 1.164 -0.783 0.392) 1.457 6.629 ( -1.987 0.685 -1.578) 2.628 6.629 ( 1.975 0.685 -1.576) 2.618 6.629 ( -1.975 0.685 1.576) 2.618 6.629 ( 1.987 0.685 1.578) 2.628 6.736 ( -0.688 -3.099 -2.208) 3.867 6.736 ( 0.585 -3.099 -2.205) 3.848 6.736 ( -0.585 -3.099 2.205) 3.848 6.736 ( 0.688 -3.099 2.208) 3.867 7.607 ( -0.911 0.218 -1.516) 1.782 7.607 ( 0.911 0.218 -1.516) 1.782 7.607 ( -0.911 0.218 1.516) 1.782 7.607 ( 0.911 0.218 1.516) 1.782 7.618 ( -0.894 -0.195 -1.451) 1.715 7.618 ( 0.893 -0.195 -1.451) 1.715 7.618 ( -0.893 -0.195 1.451) 1.715 7.618 ( 0.894 -0.195 1.451) 1.715 7.823 ( -2.691 2.110 -0.620) 3.475 7.823 ( -2.691 2.110 0.620) 3.475 7.823 ( 2.691 2.110 -0.620) 3.475 7.823 ( 2.691 2.110 0.620) 3.475 7.889 ( -3.292 -0.948 -1.197) 3.629 7.889 ( 3.273 -0.948 -1.192) 3.609 7.889 ( -3.273 -0.948 1.192) 3.609 7.889 ( 3.292 -0.948 1.197) 3.629 ======================= Grid point 70 (25/27) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.000 -5.889 -7.247) 9.338 0.658 ( 0.000 5.889 -7.247) 9.338 0.658 ( 0.000 -5.889 7.247) 9.338 0.658 ( 0.000 5.889 7.247) 9.338 0.784 ( 0.000 -3.978 -9.292) 10.108 0.784 ( 0.000 3.978 -9.292) 10.108 0.784 ( 0.000 -3.978 9.292) 10.108 0.784 ( 0.000 3.978 9.292) 10.108 0.991 ( 0.000 -4.067 -1.658) 4.392 0.991 ( 0.000 -4.067 1.658) 4.392 0.991 ( 0.000 4.067 -1.658) 4.392 0.991 ( 0.000 4.067 1.658) 4.392 1.054 ( 0.000 -1.087 -2.137) 2.398 1.054 ( 0.000 1.087 -2.137) 2.398 1.054 ( 0.000 -1.087 2.137) 2.398 1.054 ( 0.000 1.087 2.137) 2.398 1.157 ( 0.000 -0.584 -2.285) 2.358 1.157 ( 0.000 0.584 -2.285) 2.358 1.157 ( 0.000 -0.584 2.285) 2.358 1.157 ( 0.000 0.584 2.285) 2.358 1.241 ( 0.000 -2.994 -4.028) 5.019 1.241 ( 0.000 2.994 -4.028) 5.019 1.241 ( 0.000 -2.994 4.028) 5.019 1.241 ( 0.000 2.994 4.028) 5.019 1.290 ( 0.000 -4.402 -6.325) 7.706 1.290 ( 0.000 4.402 -6.325) 7.706 1.290 ( 0.000 -4.402 6.325) 7.706 1.290 ( 0.000 4.402 6.325) 7.706 1.374 ( 0.000 -0.169 -2.299) 2.306 1.374 ( 0.000 0.169 -2.299) 2.306 1.374 ( 0.000 -0.169 2.299) 2.306 1.374 ( 0.000 0.169 2.299) 2.306 1.392 ( 0.000 -2.059 -2.418) 3.176 1.392 ( 0.000 2.059 -2.418) 3.176 1.392 ( 0.000 -2.059 2.418) 3.176 1.392 ( 0.000 2.059 2.418) 3.176 1.478 ( 0.000 -4.763 -3.065) 5.664 1.478 ( 0.000 -4.763 3.065) 5.664 1.478 ( 0.000 4.763 -3.065) 5.664 1.478 ( 0.000 4.763 3.065) 5.664 1.581 ( 0.000 -0.522 -2.794) 2.842 1.581 ( 0.000 0.522 -2.794) 2.842 1.581 ( 0.000 -0.522 2.794) 2.842 1.581 ( 0.000 0.522 2.794) 2.842 1.680 ( 0.000 -0.790 -2.436) 2.561 1.680 ( 0.000 0.790 -2.436) 2.561 1.680 ( 0.000 -0.790 2.436) 2.561 1.680 ( 0.000 0.790 2.436) 2.561 1.757 ( 0.000 -2.159 -1.299) 2.520 1.757 ( 0.000 -2.159 1.299) 2.520 1.757 ( 0.000 2.159 -1.299) 2.520 1.757 ( 0.000 2.159 1.299) 2.520 1.913 ( 0.000 -2.516 -1.688) 3.030 1.913 ( 0.000 2.516 -1.688) 3.030 1.913 ( 0.000 -2.516 1.688) 3.030 1.913 ( 0.000 2.516 1.688) 3.030 1.975 ( 0.000 -0.167 -1.652) 1.661 1.975 ( 0.000 0.167 -1.652) 1.661 1.975 ( 0.000 -0.167 1.652) 1.661 1.975 ( 0.000 0.167 1.652) 1.661 2.054 ( 0.000 -0.339 -3.164) 3.182 2.054 ( 0.000 0.339 -3.164) 3.182 2.054 ( 0.000 -0.339 3.164) 3.182 2.054 ( 0.000 0.339 3.164) 3.182 2.135 ( 0.000 -0.241 -1.840) 1.856 2.135 ( 0.000 0.241 -1.840) 1.856 2.135 ( 0.000 -0.241 1.840) 1.856 2.135 ( 0.000 0.241 1.840) 1.856 2.195 ( 0.000 -0.141 -1.913) 1.919 2.195 ( 0.000 0.141 -1.913) 1.919 2.195 ( 0.000 -0.141 1.913) 1.919 2.195 ( 0.000 0.141 1.913) 1.919 2.279 ( 0.000 -2.304 -3.406) 4.112 2.279 ( 0.000 2.304 -3.406) 4.112 2.279 ( 0.000 -2.304 3.406) 4.112 2.279 ( 0.000 2.304 3.406) 4.112 2.390 ( 0.000 -0.733 -1.974) 2.105 2.390 ( 0.000 0.733 -1.974) 2.105 2.390 ( 0.000 -0.733 1.974) 2.105 2.390 ( 0.000 0.733 1.974) 2.105 2.443 ( 0.000 -0.774 -1.435) 1.630 2.443 ( 0.000 0.774 -1.435) 1.630 2.443 ( 0.000 -0.774 1.435) 1.630 2.443 ( 0.000 0.774 1.435) 1.630 2.547 ( 0.000 -0.713 -2.175) 2.289 2.547 ( 0.000 0.713 -2.175) 2.289 2.547 ( 0.000 -0.713 2.175) 2.289 2.547 ( 0.000 0.713 2.175) 2.289 2.671 ( 0.000 -0.505 -2.421) 2.473 2.671 ( 0.000 0.505 -2.421) 2.473 2.671 ( 0.000 -0.505 2.421) 2.473 2.671 ( 0.000 0.505 2.421) 2.473 2.714 ( 0.000 -3.746 -1.833) 4.170 2.714 ( 0.000 -3.746 1.833) 4.170 2.714 ( 0.000 3.746 -1.833) 4.170 2.714 ( 0.000 3.746 1.833) 4.170 2.826 ( 0.000 -1.574 -2.533) 2.982 2.826 ( 0.000 1.574 -2.533) 2.982 2.826 ( 0.000 -1.574 2.533) 2.982 2.826 ( 0.000 1.574 2.533) 2.982 2.924 ( 0.000 -1.245 -2.772) 3.039 2.924 ( 0.000 1.245 -2.772) 3.039 2.924 ( 0.000 -1.245 2.772) 3.039 2.924 ( 0.000 1.245 2.772) 3.039 3.010 ( 0.000 -1.868 -1.877) 2.648 3.010 ( 0.000 1.868 -1.877) 2.648 3.010 ( 0.000 -1.868 1.877) 2.648 3.010 ( 0.000 1.868 1.877) 2.648 3.107 ( 0.000 -0.267 -1.250) 1.278 3.107 ( 0.000 0.267 -1.250) 1.278 3.107 ( 0.000 -0.267 1.250) 1.278 3.107 ( 0.000 0.267 1.250) 1.278 3.165 ( 0.000 -2.310 -1.367) 2.684 3.165 ( 0.000 -2.310 1.367) 2.684 3.165 ( 0.000 2.310 -1.367) 2.684 3.165 ( 0.000 2.310 1.367) 2.684 3.356 ( 0.000 -0.044 -1.317) 1.318 3.356 ( 0.000 0.044 -1.317) 1.318 3.356 ( 0.000 -0.044 1.317) 1.318 3.356 ( 0.000 0.044 1.317) 1.318 3.430 ( 0.000 -1.188 -1.160) 1.661 3.430 ( 0.000 1.188 -1.160) 1.661 3.430 ( 0.000 -1.188 1.160) 1.661 3.430 ( 0.000 1.188 1.160) 1.661 3.565 ( 0.000 -1.098 -2.097) 2.367 3.565 ( 0.000 1.098 -2.097) 2.367 3.565 ( 0.000 -1.098 2.097) 2.367 3.565 ( 0.000 1.098 2.097) 2.367 3.877 ( 0.000 -0.984 -4.635) 4.738 3.877 ( 0.000 0.984 -4.635) 4.738 3.877 ( 0.000 -0.984 4.635) 4.738 3.877 ( 0.000 0.984 4.635) 4.738 4.052 ( 0.000 -0.858 -2.698) 2.831 4.052 ( 0.000 0.858 -2.698) 2.831 4.052 ( 0.000 -0.858 2.698) 2.831 4.052 ( 0.000 0.858 2.698) 2.831 4.316 ( 0.000 -1.752 -3.184) 3.634 4.316 ( 0.000 1.752 -3.184) 3.634 4.316 ( 0.000 -1.752 3.184) 3.634 4.316 ( 0.000 1.752 3.184) 3.634 4.385 ( 0.000 -0.762 -0.647) 1.000 4.385 ( 0.000 0.762 -0.647) 1.000 4.385 ( 0.000 -0.762 0.647) 1.000 4.385 ( 0.000 0.762 0.647) 1.000 4.778 ( 0.000 -1.087 -1.969) 2.249 4.778 ( 0.000 1.087 -1.969) 2.249 4.778 ( 0.000 -1.087 1.969) 2.249 4.778 ( 0.000 1.087 1.969) 2.249 5.049 ( 0.000 -2.840 -0.834) 2.960 5.049 ( 0.000 -2.840 0.834) 2.960 5.049 ( 0.000 2.840 -0.834) 2.960 5.049 ( 0.000 2.840 0.834) 2.960 5.182 ( 0.000 -0.756 -0.537) 0.927 5.182 ( 0.000 0.756 -0.537) 0.927 5.182 ( 0.000 -0.756 0.537) 0.927 5.182 ( 0.000 0.756 0.537) 0.927 5.285 ( 0.000 -2.297 -2.284) 3.239 5.285 ( 0.000 2.297 -2.284) 3.239 5.285 ( 0.000 -2.297 2.284) 3.239 5.285 ( 0.000 2.297 2.284) 3.239 5.472 ( 0.000 -0.223 -0.489) 0.537 5.472 ( 0.000 0.223 -0.489) 0.537 5.472 ( 0.000 -0.223 0.489) 0.537 5.472 ( 0.000 0.223 0.489) 0.537 5.540 ( 0.000 -2.224 -1.116) 2.488 5.540 ( 0.000 -2.224 1.116) 2.488 5.540 ( 0.000 2.224 -1.116) 2.488 5.540 ( 0.000 2.224 1.116) 2.488 5.940 ( 0.000 -1.336 -1.296) 1.861 5.940 ( 0.000 1.336 -1.296) 1.861 5.940 ( 0.000 -1.336 1.296) 1.861 5.940 ( 0.000 1.336 1.296) 1.861 6.053 ( 0.000 -0.140 -2.174) 2.179 6.053 ( 0.000 0.140 -2.174) 2.179 6.053 ( 0.000 -0.140 2.174) 2.179 6.053 ( 0.000 0.140 2.174) 2.179 6.254 ( 0.000 -5.220 -6.240) 8.135 6.254 ( 0.000 5.220 -6.240) 8.135 6.254 ( 0.000 -5.220 6.240) 8.135 6.254 ( 0.000 5.220 6.240) 8.135 6.355 ( 0.000 -0.349 -1.114) 1.168 6.355 ( 0.000 0.349 -1.114) 1.168 6.355 ( 0.000 -0.349 1.114) 1.168 6.355 ( 0.000 0.349 1.114) 1.168 6.430 ( 0.000 -2.006 -0.755) 2.144 6.430 ( 0.000 -2.006 0.755) 2.144 6.430 ( 0.000 2.006 -0.755) 2.144 6.430 ( 0.000 2.006 0.755) 2.144 6.509 ( 0.000 -1.228 -3.077) 3.313 6.509 ( 0.000 1.228 -3.077) 3.313 6.509 ( 0.000 -1.228 3.077) 3.313 6.509 ( 0.000 1.228 3.077) 3.313 6.578 ( 0.000 -1.255 -1.351) 1.844 6.578 ( 0.000 1.255 -1.351) 1.844 6.578 ( 0.000 -1.255 1.351) 1.844 6.578 ( 0.000 1.255 1.351) 1.844 6.686 ( 0.000 -0.292 -1.455) 1.484 6.686 ( 0.000 0.292 -1.455) 1.484 6.686 ( 0.000 -0.292 1.455) 1.484 6.686 ( 0.000 0.292 1.455) 1.484 7.596 ( 0.000 -0.190 -1.446) 1.459 7.596 ( 0.000 0.190 -1.446) 1.459 7.596 ( 0.000 -0.190 1.446) 1.459 7.596 ( 0.000 0.190 1.446) 1.459 7.652 ( 0.000 -0.490 -1.149) 1.249 7.652 ( 0.000 0.490 -1.149) 1.249 7.652 ( 0.000 -0.490 1.149) 1.249 7.652 ( 0.000 0.490 1.149) 1.249 7.760 ( 0.000 -1.357 -0.619) 1.491 7.760 ( 0.000 -1.357 0.619) 1.491 7.760 ( 0.000 1.357 -0.619) 1.491 7.760 ( 0.000 1.357 0.619) 1.491 7.952 ( 0.000 -2.064 -2.848) 3.517 7.952 ( 0.000 2.064 -2.848) 3.517 7.952 ( 0.000 -2.064 2.848) 3.517 7.952 ( 0.000 2.064 2.848) 3.517 ======================= Grid point 74 (26/27) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 3.066 -5.433 -3.945) 7.381 0.695 ( 3.066 0.047 -1.565) 3.443 0.695 ( 3.066 -0.047 1.565) 3.443 0.695 ( 3.066 5.433 3.945) 7.381 0.778 ( 0.349 -4.446 -7.663) 8.866 0.778 ( 0.349 4.406 -7.653) 8.838 0.778 ( 0.349 -4.406 7.653) 8.838 0.778 ( 0.349 4.446 7.663) 8.866 0.944 ( -3.286 -3.675 -1.234) 5.082 0.944 ( -3.286 -3.210 0.315) 4.604 0.944 ( -3.286 3.210 -0.315) 4.604 0.944 ( -3.286 3.675 1.234) 5.082 0.995 ( -4.942 -2.472 -1.695) 5.780 0.995 ( -4.942 0.826 -0.678) 5.057 0.995 ( -4.942 -0.826 0.678) 5.057 0.995 ( -4.942 2.472 1.695) 5.780 1.168 ( 1.794 -2.088 -2.096) 3.461 1.168 ( 1.794 -0.599 -1.617) 2.489 1.168 ( 1.794 0.599 1.617) 2.489 1.168 ( 1.794 2.088 2.096) 3.461 1.262 ( 0.129 -0.556 -3.020) 3.073 1.262 ( 0.129 0.357 -3.006) 3.030 1.262 ( 0.129 -0.357 3.006) 3.030 1.262 ( 0.129 0.556 3.020) 3.073 1.315 ( 0.174 -0.614 -2.392) 2.476 1.315 ( 0.174 0.491 -2.379) 2.435 1.315 ( 0.174 -0.491 2.379) 2.435 1.315 ( 0.174 0.614 2.392) 2.476 1.393 ( 1.943 -1.630 -2.107) 3.297 1.393 ( 1.943 1.144 -1.960) 2.988 1.393 ( 1.943 -1.144 1.960) 2.988 1.393 ( 1.943 1.630 2.107) 3.297 1.440 ( 4.121 -2.259 -2.089) 5.143 1.440 ( 4.121 -0.649 -1.511) 4.437 1.440 ( 4.121 0.649 1.511) 4.437 1.440 ( 4.121 2.259 2.089) 5.143 1.523 ( 2.344 -1.054 -3.275) 4.163 1.523 ( 2.344 0.651 -3.228) 4.042 1.523 ( 2.344 -0.651 3.228) 4.042 1.523 ( 2.344 1.054 3.275) 4.163 1.598 ( 2.278 -1.264 -4.466) 5.170 1.598 ( 2.278 1.263 -4.466) 5.170 1.598 ( 2.278 -1.263 4.466) 5.170 1.598 ( 2.278 1.264 4.466) 5.170 1.695 ( 1.621 -2.634 -2.160) 3.772 1.695 ( 1.621 -1.260 -1.513) 2.550 1.695 ( 1.621 1.260 1.513) 2.550 1.695 ( 1.621 2.634 2.160) 3.772 1.807 ( 2.075 -1.510 -3.226) 4.122 1.807 ( 2.075 1.510 -3.226) 4.122 1.807 ( 2.075 -1.510 3.226) 4.122 1.807 ( 2.075 1.510 3.226) 4.122 1.919 ( 1.606 -2.822 -3.111) 4.497 1.919 ( 1.606 0.358 -2.490) 2.984 1.919 ( 1.606 -0.358 2.490) 2.984 1.919 ( 1.606 2.822 3.111) 4.497 1.970 ( -0.321 -1.510 -0.891) 1.783 1.970 ( -0.321 -0.982 -0.456) 1.129 1.970 ( -0.321 0.982 0.456) 1.129 1.970 ( -0.321 1.510 0.891) 1.783 2.056 ( -0.334 -0.849 -1.714) 1.942 2.056 ( -0.334 0.832 -1.710) 1.931 2.056 ( -0.334 -0.832 1.710) 1.931 2.056 ( -0.334 0.849 1.714) 1.942 2.117 ( 0.042 -1.893 -2.736) 3.328 2.117 ( 0.042 -0.842 -2.492) 2.630 2.117 ( 0.042 0.842 2.492) 2.630 2.117 ( 0.042 1.893 2.736) 3.328 2.221 ( 2.237 -1.883 -2.471) 3.829 2.221 ( 2.237 1.830 -2.453) 3.791 2.221 ( 2.237 -1.830 2.453) 3.791 2.221 ( 2.237 1.883 2.471) 3.829 2.281 ( -0.557 -1.835 -4.332) 4.738 2.281 ( -0.557 0.757 -4.187) 4.291 2.281 ( -0.557 -0.757 4.187) 4.291 2.281 ( -0.557 1.835 4.332) 4.738 2.386 ( -0.242 -2.392 -1.730) 2.962 2.386 ( -0.242 -1.463 -1.184) 1.898 2.386 ( -0.242 1.463 1.184) 1.898 2.386 ( -0.242 2.392 1.730) 2.962 2.455 ( 1.151 -2.005 -1.801) 2.931 2.455 ( 1.151 -0.876 -1.341) 1.973 2.455 ( 1.151 0.876 1.341) 1.973 2.455 ( 1.151 2.005 1.801) 2.931 2.540 ( -0.751 -1.254 -2.763) 3.126 2.540 ( -0.751 1.154 -2.744) 3.070 2.540 ( -0.751 -1.154 2.744) 3.070 2.540 ( -0.751 1.254 2.763) 3.126 2.648 ( -2.059 -1.047 -2.819) 3.644 2.648 ( -2.059 0.649 -2.765) 3.508 2.648 ( -2.059 -0.649 2.765) 3.508 2.648 ( -2.059 1.047 2.819) 3.644 2.709 ( -0.717 -1.829 -3.504) 4.017 2.709 ( -0.717 1.795 -3.496) 3.995 2.709 ( -0.717 -1.795 3.496) 3.995 2.709 ( -0.717 1.829 3.504) 4.017 2.807 ( -1.833 -1.933 -1.396) 3.007 2.807 ( -1.833 -0.707 -0.715) 2.091 2.807 ( -1.833 0.707 0.715) 2.091 2.807 ( -1.833 1.933 1.396) 3.007 2.887 ( -2.931 -1.332 -1.742) 3.660 2.887 ( -2.931 1.105 -1.670) 3.550 2.887 ( -2.931 -1.105 1.670) 3.550 2.887 ( -2.931 1.332 1.742) 3.660 2.969 ( -3.270 -2.863 -1.651) 4.649 2.969 ( -3.270 -1.451 -0.127) 3.579 2.969 ( -3.270 1.451 0.127) 3.579 2.969 ( -3.270 2.863 1.651) 4.649 3.113 ( -0.086 -1.424 -2.716) 3.069 3.113 ( -0.086 -0.183 -2.548) 2.556 3.113 ( -0.086 0.183 2.548) 2.556 3.113 ( -0.086 1.424 2.716) 3.069 3.150 ( 0.566 -1.524 -1.435) 2.168 3.150 ( 0.566 0.744 -1.128) 1.465 3.150 ( 0.566 -0.744 1.128) 1.465 3.150 ( 0.566 1.524 1.435) 2.168 3.303 ( -3.905 -0.401 -2.517) 4.664 3.303 ( -3.905 0.354 -2.514) 4.658 3.303 ( -3.905 -0.354 2.514) 4.658 3.303 ( -3.905 0.401 2.517) 4.664 3.440 ( 0.529 -0.780 -1.623) 1.877 3.440 ( 0.529 0.780 -1.623) 1.877 3.440 ( 0.529 -0.780 1.623) 1.877 3.440 ( 0.529 0.780 1.623) 1.877 3.534 ( -2.520 -0.761 -1.239) 2.910 3.534 ( -2.520 -0.046 -1.131) 2.763 3.534 ( -2.520 0.046 1.131) 2.763 3.534 ( -2.520 0.761 1.239) 2.910 3.897 ( 1.525 -1.257 -3.715) 4.208 3.897 ( 1.525 1.244 -3.713) 4.203 3.897 ( 1.525 -1.244 3.713) 4.203 3.897 ( 1.525 1.257 3.715) 4.208 4.032 ( -1.273 -1.638 -2.190) 3.017 4.032 ( -1.273 1.634 -2.188) 3.013 4.032 ( -1.273 -1.634 2.188) 3.013 4.032 ( -1.273 1.638 2.190) 3.017 4.328 ( 1.108 -1.653 -2.661) 3.323 4.328 ( 1.108 1.653 -2.661) 3.323 4.328 ( 1.108 -1.653 2.661) 3.323 4.328 ( 1.108 1.653 2.661) 3.323 4.386 ( -0.294 -0.336 -0.552) 0.710 4.386 ( -0.294 0.229 -0.527) 0.645 4.386 ( -0.294 -0.229 0.527) 0.645 4.386 ( -0.294 0.336 0.552) 0.710 4.849 ( 5.876 -1.125 -1.280) 6.118 4.849 ( 5.876 1.125 -1.280) 6.118 4.849 ( 5.876 -1.125 1.280) 6.118 4.849 ( 5.876 1.125 1.280) 6.118 5.044 ( -0.772 -2.392 -0.493) 2.561 5.044 ( -0.772 -2.390 0.490) 2.559 5.044 ( -0.772 2.390 -0.490) 2.559 5.044 ( -0.772 2.392 0.493) 2.561 5.157 ( -2.253 -0.473 -0.926) 2.482 5.157 ( -2.253 0.437 -0.918) 2.472 5.157 ( -2.253 -0.437 0.918) 2.472 5.157 ( -2.253 0.473 0.926) 2.482 5.280 ( -0.318 -1.821 -1.542) 2.407 5.280 ( -0.318 0.292 -0.970) 1.061 5.280 ( -0.318 -0.292 0.970) 1.061 5.280 ( -0.318 1.821 1.542) 2.407 5.473 ( 0.035 -0.116 -0.591) 0.603 5.473 ( 0.035 0.088 -0.589) 0.597 5.473 ( 0.035 -0.088 0.589) 0.597 5.473 ( 0.035 0.116 0.591) 0.603 5.528 ( -0.647 -1.570 -1.021) 1.982 5.528 ( -0.647 -0.345 -0.024) 0.734 5.528 ( -0.647 0.345 0.024) 0.734 5.528 ( -0.647 1.570 1.021) 1.982 5.987 ( 3.242 -0.447 -3.887) 5.081 5.987 ( 3.242 0.241 -3.879) 5.061 5.987 ( 3.242 -0.241 3.879) 5.061 5.987 ( 3.242 0.447 3.887) 5.081 6.076 ( 1.354 -0.697 -2.774) 3.164 6.076 ( 1.354 0.624 -2.766) 3.142 6.076 ( 1.354 -0.624 2.766) 3.142 6.076 ( 1.354 0.697 2.774) 3.164 6.216 ( -1.434 -3.010 -4.860) 5.894 6.216 ( -1.434 2.887 -4.827) 5.804 6.216 ( -1.434 -2.887 4.827) 5.804 6.216 ( -1.434 3.010 4.860) 5.894 6.337 ( -2.369 -1.050 -0.728) 2.691 6.337 ( -2.369 -0.328 -0.295) 2.409 6.337 ( -2.369 0.328 0.295) 2.409 6.337 ( -2.369 1.050 0.728) 2.691 6.435 ( 0.890 -1.331 -1.058) 1.919 6.435 ( 0.890 -0.669 -0.728) 1.330 6.435 ( 0.890 0.669 0.728) 1.330 6.435 ( 0.890 1.331 1.058) 1.919 6.500 ( -0.972 -0.761 -3.089) 3.326 6.500 ( -0.972 0.707 -3.083) 3.309 6.500 ( -0.972 -0.707 3.083) 3.309 6.500 ( -0.972 0.761 3.089) 3.326 6.611 ( 2.346 -2.518 -0.439) 3.470 6.611 ( 2.346 -2.484 0.342) 3.434 6.611 ( 2.346 2.484 -0.342) 3.434 6.611 ( 2.346 2.518 0.439) 3.470 6.692 ( 0.383 -1.719 -1.777) 2.502 6.692 ( 0.383 1.649 -1.748) 2.433 6.692 ( 0.383 -1.649 1.748) 2.433 6.692 ( 0.383 1.719 1.777) 2.502 7.599 ( 0.333 -0.245 -1.509) 1.565 7.599 ( 0.333 0.232 -1.508) 1.562 7.599 ( 0.333 -0.232 1.508) 1.562 7.599 ( 0.333 0.245 1.509) 1.565 7.636 ( -1.154 -0.372 -1.435) 1.879 7.636 ( -1.154 0.372 -1.435) 1.879 7.636 ( -1.154 -0.372 1.435) 1.879 7.636 ( -1.154 0.372 1.435) 1.879 7.795 ( 2.754 -1.552 -0.350) 3.180 7.795 ( 2.754 -1.527 0.298) 3.163 7.795 ( 2.754 1.527 -0.298) 3.163 7.795 ( 2.754 1.552 0.350) 3.180 7.926 ( -2.308 -2.075 -2.260) 3.839 7.926 ( -2.308 2.066 -2.257) 3.832 7.926 ( -2.308 -2.066 2.257) 3.832 7.926 ( -2.308 2.075 2.260) 3.839 ======================= Grid point 78 (27/27) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 14 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.000 0.000 -0.000) 0.000 0.740 ( 0.000 -0.000 0.000) 0.000 0.740 ( 0.000 0.000 0.000) 0.000 0.740 ( 0.000 -0.000 0.000) 0.000 0.820 ( 0.000 -0.000 -0.000) 0.000 0.820 ( 0.000 0.000 0.000) 0.000 0.820 ( 0.000 0.000 0.000) 0.000 0.820 ( 0.000 -0.000 0.000) 0.000 0.864 ( 0.000 -0.000 -0.000) 0.000 0.864 ( 0.000 -0.000 0.000) 0.000 0.864 ( 0.000 0.000 0.000) 0.000 0.864 ( 0.000 0.000 0.000) 0.000 0.932 ( 0.000 0.000 -0.000) 0.000 0.932 ( 0.000 0.000 -0.000) 0.000 0.932 ( 0.000 -0.000 0.000) 0.000 0.932 ( -0.000 0.000 0.000) 0.000 1.200 ( 0.000 -0.000 -0.000) 0.000 1.200 ( 0.000 0.000 -0.000) 0.000 1.200 ( 0.000 -0.000 0.000) 0.000 1.200 ( 0.000 0.000 0.000) 0.000 1.234 ( 0.000 -0.000 -0.000) 0.000 1.234 ( 0.000 0.000 0.000) 0.000 1.234 ( 0.000 0.000 0.000) 0.000 1.234 ( 0.000 0.000 0.000) 0.000 1.365 ( -0.000 -0.000 -0.000) 0.000 1.365 ( -0.000 0.000 0.000) 0.000 1.365 ( -0.000 -0.000 0.000) 0.000 1.365 ( -0.000 -0.000 0.000) 0.000 1.376 ( -0.000 -0.000 -0.000) 0.000 1.376 ( 0.000 0.000 -0.000) 0.000 1.376 ( 0.000 0.000 0.000) 0.000 1.376 ( 0.000 0.000 -0.000) 0.000 1.520 ( -0.000 -0.000 -0.000) 0.000 1.520 ( 0.000 -0.000 -0.000) 0.000 1.520 ( 0.000 -0.000 0.000) 0.000 1.520 ( -0.000 -0.000 0.000) 0.000 1.521 ( 0.000 0.000 -0.000) 0.000 1.521 ( -0.000 0.000 -0.000) 0.000 1.521 ( -0.000 0.000 0.000) 0.000 1.521 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 -0.000 -0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.823 ( 0.000 0.000 -0.000) 0.000 1.823 ( 0.000 0.000 0.000) 0.000 1.823 ( 0.000 0.000 0.000) 0.000 1.823 ( 0.000 0.000 0.000) 0.000 1.931 ( 0.000 -0.000 0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 -0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 -0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 -0.000 0.000) 0.000 2.170 ( 0.000 0.000 -0.000) 0.000 2.170 ( -0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.216 ( -0.000 -0.000 -0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.216 ( -0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 -0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.373 ( -0.000 -0.000 -0.000) 0.000 2.373 ( 0.000 0.000 -0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 -0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 -0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.521 ( -0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 -0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.679 ( -0.000 -0.000 -0.000) 0.000 2.679 ( 0.000 0.000 -0.000) 0.000 2.679 ( -0.000 0.000 0.000) 0.000 2.679 ( -0.000 0.000 0.000) 0.000 2.759 ( -0.000 0.000 -0.000) 0.000 2.759 ( 0.000 0.000 -0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 -0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 3.099 ( -0.000 -0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 -0.000 -0.000) 0.000 3.195 ( -0.000 -0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 -0.000) 0.000 3.226 ( -0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.226 ( -0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 -0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 -0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 4.016 ( 0.000 0.000 -0.000) 0.000 4.016 ( 0.000 0.000 0.000) 0.000 4.016 ( 0.000 0.000 0.000) 0.000 4.016 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 -0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.352 ( -0.000 0.000 0.000) 0.000 4.372 ( 0.000 -0.000 -0.000) 0.000 4.372 ( 0.000 0.000 -0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 -0.000) 0.000 4.972 ( 0.000 -0.000 0.000) 0.000 4.972 ( 0.000 -0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 4.996 ( -0.000 -0.000 -0.000) 0.000 4.996 ( 0.000 0.000 -0.000) 0.000 4.996 ( -0.000 0.000 0.000) 0.000 4.996 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 -0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 -0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 6.051 ( -0.000 -0.000 -0.000) 0.000 6.051 ( -0.000 -0.000 -0.000) 0.000 6.051 ( 0.000 -0.000 -0.000) 0.000 6.051 ( 0.000 -0.000 0.000) 0.000 6.056 ( 0.000 -0.000 -0.000) 0.000 6.056 ( -0.000 -0.000 0.000) 0.000 6.056 ( 0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 0.000) 0.000 6.257 ( -0.000 -0.000 -0.000) 0.000 6.257 ( 0.000 0.000 -0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.261 ( -0.000 -0.000 -0.000) 0.000 6.261 ( -0.000 0.000 -0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.465 ( -0.000 0.000 -0.000) 0.000 6.465 ( -0.000 0.000 0.000) 0.000 6.465 ( -0.000 0.000 0.000) 0.000 6.465 ( 0.000 0.000 0.000) 0.000 6.470 ( 0.000 -0.000 -0.000) 0.000 6.470 ( 0.000 0.000 -0.000) 0.000 6.470 ( 0.000 0.000 -0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 6.643 ( -0.000 0.000 -0.000) 0.000 6.643 ( -0.000 -0.000 0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.696 ( 0.000 -0.000 -0.000) 0.000 6.696 ( 0.000 0.000 0.000) 0.000 6.696 ( 0.000 -0.000 0.000) 0.000 6.696 ( 0.000 0.000 0.000) 0.000 7.609 ( 0.000 0.000 -0.000) 0.000 7.609 ( 0.000 0.000 0.000) 0.000 7.609 ( 0.000 0.000 0.000) 0.000 7.609 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 -0.000 -0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.615 ( -0.000 0.000 0.000) 0.000 7.863 ( -0.000 -0.000 -0.000) 0.000 7.863 ( -0.000 -0.000 0.000) 0.000 7.863 ( 0.000 0.000 0.000) 0.000 7.863 ( 0.000 0.000 0.000) 0.000 7.863 ( -0.000 0.000 -0.000) 0.000 7.863 ( 0.000 0.000 -0.000) 0.000 7.863 ( 0.000 -0.000 -0.000) 0.000 7.863 ( 0.000 0.000 0.000) 0.000 =================== 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 3/13824 10.0 9.737 7.251 10.560 0.000 0.000 -0.000 3/13824 20.0 2.327 1.686 2.604 0.000 0.000 -0.000 3/13824 30.0 1.204 0.865 1.340 0.000 0.000 -0.000 3/13824 40.0 0.808 0.573 0.888 0.000 0.000 -0.000 3/13824 50.0 0.615 0.430 0.667 0.000 0.000 -0.000 3/13824 60.0 0.503 0.346 0.539 0.000 0.000 -0.000 3/13824 70.0 0.430 0.292 0.455 0.000 0.000 -0.000 3/13824 80.0 0.379 0.254 0.396 0.000 0.000 -0.000 3/13824 90.0 0.340 0.225 0.353 0.000 0.000 -0.000 3/13824 100.0 0.309 0.203 0.319 0.000 0.000 -0.000 3/13824 110.0 0.284 0.185 0.291 0.000 0.000 -0.000 3/13824 120.0 0.263 0.170 0.269 0.000 0.000 -0.000 3/13824 130.0 0.246 0.158 0.249 0.000 0.000 -0.000 3/13824 140.0 0.230 0.147 0.233 0.000 0.000 -0.000 3/13824 150.0 0.217 0.138 0.219 0.000 0.000 -0.000 3/13824 160.0 0.205 0.130 0.206 0.000 0.000 -0.000 3/13824 170.0 0.194 0.123 0.195 0.000 0.000 -0.000 3/13824 180.0 0.185 0.116 0.185 0.000 0.000 -0.000 3/13824 190.0 0.176 0.111 0.176 0.000 0.000 -0.000 3/13824 200.0 0.168 0.106 0.168 0.000 0.000 -0.000 3/13824 210.0 0.161 0.101 0.160 0.000 0.000 -0.000 3/13824 220.0 0.154 0.097 0.154 0.000 0.000 -0.000 3/13824 230.0 0.148 0.093 0.147 0.000 0.000 -0.000 3/13824 240.0 0.143 0.089 0.142 0.000 0.000 -0.000 3/13824 250.0 0.138 0.086 0.136 0.000 0.000 -0.000 3/13824 260.0 0.133 0.082 0.132 0.000 0.000 -0.000 3/13824 270.0 0.128 0.080 0.127 0.000 0.000 -0.000 3/13824 280.0 0.124 0.077 0.123 0.000 0.000 -0.000 3/13824 290.0 0.120 0.074 0.119 0.000 0.000 -0.000 3/13824 300.0 0.116 0.072 0.115 0.000 0.000 -0.000 3/13824 310.0 0.113 0.070 0.112 0.000 0.000 -0.000 3/13824 320.0 0.110 0.068 0.108 0.000 0.000 -0.000 3/13824 330.0 0.107 0.066 0.105 0.000 0.000 -0.000 3/13824 340.0 0.104 0.064 0.102 0.000 0.000 -0.000 3/13824 350.0 0.101 0.062 0.099 0.000 0.000 -0.000 3/13824 360.0 0.098 0.060 0.097 0.000 0.000 -0.000 3/13824 370.0 0.096 0.059 0.094 0.000 0.000 -0.000 3/13824 380.0 0.093 0.057 0.092 0.000 0.000 -0.000 3/13824 390.0 0.091 0.056 0.090 0.000 0.000 -0.000 3/13824 400.0 0.089 0.055 0.088 0.000 0.000 -0.000 3/13824 410.0 0.087 0.053 0.086 0.000 0.000 -0.000 3/13824 420.0 0.085 0.052 0.084 0.000 0.000 -0.000 3/13824 430.0 0.083 0.051 0.082 0.000 0.000 -0.000 3/13824 440.0 0.081 0.050 0.080 0.000 0.000 -0.000 3/13824 450.0 0.080 0.049 0.078 0.000 0.000 -0.000 3/13824 460.0 0.078 0.048 0.077 0.000 0.000 -0.000 3/13824 470.0 0.076 0.047 0.075 0.000 0.000 -0.000 3/13824 480.0 0.075 0.046 0.074 0.000 0.000 -0.000 3/13824 490.0 0.073 0.045 0.072 0.000 0.000 -0.000 3/13824 500.0 0.072 0.044 0.071 0.000 0.000 -0.000 3/13824 510.0 0.071 0.043 0.069 0.000 0.000 -0.000 3/13824 520.0 0.069 0.042 0.068 0.000 0.000 -0.000 3/13824 530.0 0.068 0.042 0.067 0.000 0.000 -0.000 3/13824 540.0 0.067 0.041 0.066 0.000 0.000 -0.000 3/13824 550.0 0.066 0.040 0.064 0.000 0.000 -0.000 3/13824 560.0 0.065 0.039 0.063 0.000 0.000 -0.000 3/13824 570.0 0.064 0.039 0.062 0.000 0.000 -0.000 3/13824 580.0 0.063 0.038 0.061 0.000 0.000 -0.000 3/13824 590.0 0.062 0.038 0.060 0.000 0.000 -0.000 3/13824 600.0 0.061 0.037 0.059 0.000 0.000 -0.000 3/13824 610.0 0.060 0.036 0.058 0.000 0.000 -0.000 3/13824 620.0 0.059 0.036 0.057 0.000 0.000 -0.000 3/13824 630.0 0.058 0.035 0.057 0.000 0.000 -0.000 3/13824 640.0 0.057 0.035 0.056 0.000 0.000 -0.000 3/13824 650.0 0.056 0.034 0.055 0.000 0.000 -0.000 3/13824 660.0 0.055 0.034 0.054 0.000 0.000 -0.000 3/13824 670.0 0.054 0.033 0.053 0.000 0.000 -0.000 3/13824 680.0 0.054 0.033 0.053 0.000 0.000 -0.000 3/13824 690.0 0.053 0.032 0.052 0.000 0.000 -0.000 3/13824 700.0 0.052 0.032 0.051 0.000 0.000 -0.000 3/13824 710.0 0.051 0.031 0.050 0.000 0.000 -0.000 3/13824 720.0 0.051 0.031 0.050 0.000 0.000 -0.000 3/13824 730.0 0.050 0.030 0.049 0.000 0.000 -0.000 3/13824 740.0 0.049 0.030 0.048 0.000 0.000 -0.000 3/13824 750.0 0.049 0.030 0.048 0.000 0.000 -0.000 3/13824 760.0 0.048 0.029 0.047 0.000 0.000 -0.000 3/13824 770.0 0.048 0.029 0.047 0.000 0.000 -0.000 3/13824 780.0 0.047 0.029 0.046 0.000 0.000 -0.000 3/13824 790.0 0.046 0.028 0.045 0.000 0.000 -0.000 3/13824 800.0 0.046 0.028 0.045 0.000 0.000 -0.000 3/13824 810.0 0.045 0.028 0.044 0.000 0.000 -0.000 3/13824 820.0 0.045 0.027 0.044 0.000 0.000 -0.000 3/13824 830.0 0.044 0.027 0.043 0.000 0.000 -0.000 3/13824 840.0 0.044 0.027 0.043 0.000 0.000 -0.000 3/13824 850.0 0.043 0.026 0.042 0.000 0.000 -0.000 3/13824 860.0 0.043 0.026 0.042 0.000 0.000 -0.000 3/13824 870.0 0.042 0.026 0.041 0.000 0.000 -0.000 3/13824 880.0 0.042 0.025 0.041 0.000 0.000 -0.000 3/13824 890.0 0.041 0.025 0.040 0.000 0.000 -0.000 3/13824 900.0 0.041 0.025 0.040 0.000 0.000 -0.000 3/13824 910.0 0.040 0.025 0.040 0.000 0.000 -0.000 3/13824 920.0 0.040 0.024 0.039 0.000 0.000 -0.000 3/13824 930.0 0.040 0.024 0.039 0.000 0.000 -0.000 3/13824 940.0 0.039 0.024 0.038 0.000 0.000 -0.000 3/13824 950.0 0.039 0.024 0.038 0.000 0.000 -0.000 3/13824 960.0 0.038 0.023 0.037 0.000 0.000 -0.000 3/13824 970.0 0.038 0.023 0.037 0.000 0.000 -0.000 3/13824 980.0 0.038 0.023 0.037 0.000 0.000 -0.000 3/13824 990.0 0.037 0.023 0.036 0.000 0.000 -0.000 3/13824 1000.0 0.037 0.022 0.036 0.000 0.000 -0.000 3/13824 Thermal conductivity related properties were written into "kappa-m444.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:08:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|