----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:25:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ia-3 (206) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.059136410000000 4.059136410000000 4.059136410000000 b 4.059136410000000 -4.059136410000000 4.059136410000000 c 4.059136410000000 4.059136410000000 -4.059136410000000 Atomic positions (fractional): *1 Be 0.24025997504971 0.97389765006726 0.50590648227417 9.012 2 Be 0.97389765006726 0.50590648227417 0.24025997504971 9.012 3 Be 0.50590648227417 0.24025997504971 0.97389765006726 9.012 4 Be 0.73435349277554 0.99409351772583 0.96799116779309 9.012 5 Be 0.76636232498245 0.53200883220691 0.52610234993274 9.012 6 Be 0.52610234993274 0.76636232498245 0.53200883220691 9.012 7 Be 0.73363767501755 0.25974002495029 0.76564650722446 9.012 8 Be 0.99409351772583 0.96799116779309 0.73435349277555 9.012 9 Be 0.76564650722446 0.73363767501755 0.25974002495029 9.012 10 Be 0.25974002495029 0.76564650722446 0.73363767501755 9.012 11 Be 0.96799116779309 0.73435349277555 0.99409351772583 9.012 12 Be 0.53200883220691 0.52610234993274 0.76636232498245 9.012 13 Be 0.75974002495029 0.02610234993274 0.49409351772583 9.012 14 Be 0.02610234993274 0.49409351772583 0.75974002495029 9.012 15 Be 0.49409351772583 0.75974002495029 0.02610234993274 9.012 16 Be 0.26564650722446 0.00590648227417 0.03200883220691 9.012 17 Be 0.23363767501755 0.46799116779309 0.47389765006726 9.012 18 Be 0.47389765006726 0.23363767501755 0.46799116779309 9.012 19 Be 0.26636232498245 0.74025997504971 0.23435349277554 9.012 20 Be 0.00590648227417 0.03200883220691 0.26564650722445 9.012 21 Be 0.23435349277554 0.26636232498245 0.74025997504971 9.012 22 Be 0.74025997504971 0.23435349277555 0.26636232498245 9.012 23 Be 0.03200883220691 0.26564650722445 0.00590648227417 9.012 24 Be 0.46799116779309 0.47389765006726 0.23363767501755 9.012 *25 N 0.97876242356227 0.25000000000000 0.22876242356227 14.007 26 N 0.25000000000000 0.22876242356227 0.97876242356227 14.007 27 N 0.22876242356227 0.97876242356227 0.25000000000000 14.007 28 N 0.75000000000000 0.27123757643773 0.52123757643773 14.007 29 N 0.27123757643773 0.52123757643773 0.75000000000000 14.007 30 N 0.52123757643773 0.75000000000000 0.27123757643773 14.007 31 N 0.02123757643773 0.75000000000000 0.77123757643773 14.007 32 N 0.75000000000000 0.77123757643773 0.02123757643773 14.007 33 N 0.77123757643773 0.02123757643773 0.75000000000000 14.007 34 N 0.25000000000000 0.72876242356227 0.47876242356227 14.007 35 N 0.72876242356227 0.47876242356227 0.25000000000000 14.007 36 N 0.47876242356227 0.25000000000000 0.72876242356227 14.007 *37 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 38 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 39 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 40 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.118272820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.118272820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.118272820000000 Atomic positions (fractional): *1 Be 0.11977207864586 0.38613440362831 0.85412557142140 9.012 > 1 2 Be 0.88613440362831 0.35412557142140 0.61977207864586 9.012 > 2 3 Be 0.35412557142140 0.61977207864586 0.88613440362831 9.012 > 3 4 Be 0.11386559637169 0.85412557142140 0.88022792135414 9.012 > 4 5 Be 0.14587442857860 0.38022792135414 0.38613440362831 9.012 > 5 6 Be 0.88613440362831 0.64587442857860 0.88022792135414 9.012 > 6 7 Be 0.14587442857860 0.61977207864586 0.11386559637169 9.012 > 7 8 Be 0.35412557142140 0.38022792135414 0.61386559637169 9.012 > 8 9 Be 0.11386559637169 0.14587442857860 0.61977207864586 9.012 > 9 10 Be 0.11977207864586 0.61386559637169 0.64587442857860 9.012 > 10 11 Be 0.38022792135414 0.61386559637169 0.35412557142140 9.012 > 11 12 Be 0.38022792135414 0.38613440362831 0.14587442857860 9.012 > 12 13 Be 0.38022792135414 0.11386559637169 0.64587442857860 9.012 > 13 14 Be 0.61386559637169 0.14587442857860 0.88022792135414 9.012 > 14 15 Be 0.14587442857860 0.88022792135414 0.61386559637169 9.012 > 15 16 Be 0.38613440362831 0.64587442857860 0.61977207864586 9.012 > 16 17 Be 0.35412557142140 0.11977207864586 0.11386559637169 9.012 > 17 18 Be 0.61386559637169 0.85412557142140 0.61977207864586 9.012 > 18 19 Be 0.35412557142140 0.88022792135414 0.38613440362831 9.012 > 19 20 Be 0.14587442857860 0.11977207864586 0.88613440362831 9.012 > 20 21 Be 0.38613440362831 0.35412557142140 0.88022792135414 9.012 > 21 22 Be 0.38022792135414 0.88613440362831 0.85412557142140 9.012 > 22 23 Be 0.11977207864586 0.88613440362831 0.14587442857860 9.012 > 23 24 Be 0.11977207864586 0.11386559637169 0.35412557142140 9.012 > 24 25 Be 0.61977207864586 0.88613440362831 0.35412557142140 9.012 > 1 26 Be 0.38613440362831 0.85412557142140 0.11977207864586 9.012 > 2 27 Be 0.85412557142140 0.11977207864586 0.38613440362831 9.012 > 3 28 Be 0.61386559637169 0.35412557142140 0.38022792135414 9.012 > 4 29 Be 0.64587442857860 0.88022792135414 0.88613440362831 9.012 > 5 30 Be 0.38613440362831 0.14587442857860 0.38022792135414 9.012 > 6 31 Be 0.64587442857860 0.11977207864586 0.61386559637169 9.012 > 7 32 Be 0.85412557142140 0.88022792135414 0.11386559637169 9.012 > 8 33 Be 0.61386559637169 0.64587442857860 0.11977207864586 9.012 > 9 34 Be 0.61977207864586 0.11386559637169 0.14587442857860 9.012 > 10 35 Be 0.88022792135414 0.11386559637169 0.85412557142140 9.012 > 11 36 Be 0.88022792135414 0.88613440362831 0.64587442857860 9.012 > 12 37 Be 0.88022792135414 0.61386559637169 0.14587442857860 9.012 > 13 38 Be 0.11386559637169 0.64587442857860 0.38022792135414 9.012 > 14 39 Be 0.64587442857860 0.38022792135414 0.11386559637169 9.012 > 15 40 Be 0.88613440362831 0.14587442857860 0.11977207864586 9.012 > 16 41 Be 0.85412557142140 0.61977207864586 0.61386559637169 9.012 > 17 42 Be 0.11386559637169 0.35412557142140 0.11977207864586 9.012 > 18 43 Be 0.85412557142140 0.38022792135414 0.88613440362831 9.012 > 19 44 Be 0.64587442857860 0.61977207864586 0.38613440362831 9.012 > 20 45 Be 0.88613440362831 0.85412557142140 0.38022792135414 9.012 > 21 46 Be 0.88022792135414 0.38613440362831 0.35412557142140 9.012 > 22 47 Be 0.61977207864586 0.38613440362831 0.64587442857860 9.012 > 23 48 Be 0.61977207864586 0.61386559637169 0.85412557142140 9.012 > 24 *49 N 0.75000000000000 0.47876242356227 0.50000000000000 14.007 > 25 50 N 0.47876242356227 0.50000000000000 0.75000000000000 14.007 > 26 51 N 0.00000000000000 0.25000000000000 0.97876242356227 14.007 > 27 52 N 0.52123757643773 0.00000000000000 0.75000000000000 14.007 > 28 53 N 0.50000000000000 0.25000000000000 0.02123757643773 14.007 > 29 54 N 0.25000000000000 0.02123757643773 0.50000000000000 14.007 > 30 55 N 0.75000000000000 0.02123757643773 0.00000000000000 14.007 > 31 56 N 0.02123757643773 0.00000000000000 0.75000000000000 14.007 > 32 57 N 0.50000000000000 0.25000000000000 0.52123757643773 14.007 > 33 58 N 0.97876242356227 0.50000000000000 0.75000000000000 14.007 > 34 59 N 0.00000000000000 0.25000000000000 0.47876242356227 14.007 > 35 60 N 0.25000000000000 0.47876242356227 0.00000000000000 14.007 > 36 *61 N 0.25000000000000 0.25000000000000 0.75000000000000 14.007 > 37 62 N 0.75000000000000 0.25000000000000 0.75000000000000 14.007 > 38 63 N 0.25000000000000 0.75000000000000 0.75000000000000 14.007 > 39 64 N 0.25000000000000 0.25000000000000 0.25000000000000 14.007 > 40 65 N 0.25000000000000 0.97876242356227 0.00000000000000 14.007 > 25 66 N 0.97876242356227 0.00000000000000 0.25000000000000 14.007 > 26 67 N 0.50000000000000 0.75000000000000 0.47876242356227 14.007 > 27 68 N 0.02123757643773 0.50000000000000 0.25000000000000 14.007 > 28 69 N 0.00000000000000 0.75000000000000 0.52123757643773 14.007 > 29 70 N 0.75000000000000 0.52123757643773 0.00000000000000 14.007 > 30 71 N 0.25000000000000 0.52123757643773 0.50000000000000 14.007 > 31 72 N 0.52123757643773 0.50000000000000 0.25000000000000 14.007 > 32 73 N 0.00000000000000 0.75000000000000 0.02123757643773 14.007 > 33 74 N 0.47876242356227 0.00000000000000 0.25000000000000 14.007 > 34 75 N 0.50000000000000 0.75000000000000 0.97876242356227 14.007 > 35 76 N 0.75000000000000 0.97876242356227 0.50000000000000 14.007 > 36 77 N 0.75000000000000 0.75000000000000 0.25000000000000 14.007 > 37 78 N 0.25000000000000 0.75000000000000 0.25000000000000 14.007 > 38 79 N 0.75000000000000 0.25000000000000 0.25000000000000 14.007 > 39 80 N 0.75000000000000 0.75000000000000 0.75000000000000 14.007 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.118272820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.118272820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.118272820000000 Atomic positions (fractional): *1 Be 0.11977207864586 0.38613440362831 0.85412557142140 9.012 > 1 2 Be 0.88613440362831 0.35412557142140 0.61977207864586 9.012 > 2 3 Be 0.35412557142140 0.61977207864586 0.88613440362831 9.012 > 3 4 Be 0.11386559637169 0.85412557142140 0.88022792135414 9.012 > 4 5 Be 0.14587442857860 0.38022792135414 0.38613440362831 9.012 > 5 6 Be 0.88613440362831 0.64587442857860 0.88022792135414 9.012 > 6 7 Be 0.14587442857860 0.61977207864586 0.11386559637169 9.012 > 7 8 Be 0.35412557142140 0.38022792135414 0.61386559637169 9.012 > 8 9 Be 0.11386559637169 0.14587442857860 0.61977207864586 9.012 > 9 10 Be 0.11977207864586 0.61386559637169 0.64587442857860 9.012 > 10 11 Be 0.38022792135414 0.61386559637169 0.35412557142140 9.012 > 11 12 Be 0.38022792135414 0.38613440362831 0.14587442857860 9.012 > 12 13 Be 0.38022792135414 0.11386559637169 0.64587442857860 9.012 > 13 14 Be 0.61386559637169 0.14587442857860 0.88022792135414 9.012 > 14 15 Be 0.14587442857860 0.88022792135414 0.61386559637169 9.012 > 15 16 Be 0.38613440362831 0.64587442857860 0.61977207864586 9.012 > 16 17 Be 0.35412557142140 0.11977207864586 0.11386559637169 9.012 > 17 18 Be 0.61386559637169 0.85412557142140 0.61977207864586 9.012 > 18 19 Be 0.35412557142140 0.88022792135414 0.38613440362831 9.012 > 19 20 Be 0.14587442857860 0.11977207864586 0.88613440362831 9.012 > 20 21 Be 0.38613440362831 0.35412557142140 0.88022792135414 9.012 > 21 22 Be 0.38022792135414 0.88613440362831 0.85412557142140 9.012 > 22 23 Be 0.11977207864586 0.88613440362831 0.14587442857860 9.012 > 23 24 Be 0.11977207864586 0.11386559637169 0.35412557142140 9.012 > 24 25 Be 0.61977207864586 0.88613440362831 0.35412557142140 9.012 > 1 26 Be 0.38613440362831 0.85412557142140 0.11977207864586 9.012 > 2 27 Be 0.85412557142140 0.11977207864586 0.38613440362831 9.012 > 3 28 Be 0.61386559637169 0.35412557142140 0.38022792135414 9.012 > 4 29 Be 0.64587442857860 0.88022792135414 0.88613440362831 9.012 > 5 30 Be 0.38613440362831 0.14587442857860 0.38022792135414 9.012 > 6 31 Be 0.64587442857860 0.11977207864586 0.61386559637169 9.012 > 7 32 Be 0.85412557142140 0.88022792135414 0.11386559637169 9.012 > 8 33 Be 0.61386559637169 0.64587442857860 0.11977207864586 9.012 > 9 34 Be 0.61977207864586 0.11386559637169 0.14587442857860 9.012 > 10 35 Be 0.88022792135414 0.11386559637169 0.85412557142140 9.012 > 11 36 Be 0.88022792135414 0.88613440362831 0.64587442857860 9.012 > 12 37 Be 0.88022792135414 0.61386559637169 0.14587442857860 9.012 > 13 38 Be 0.11386559637169 0.64587442857860 0.38022792135414 9.012 > 14 39 Be 0.64587442857860 0.38022792135414 0.11386559637169 9.012 > 15 40 Be 0.88613440362831 0.14587442857860 0.11977207864586 9.012 > 16 41 Be 0.85412557142140 0.61977207864586 0.61386559637169 9.012 > 17 42 Be 0.11386559637169 0.35412557142140 0.11977207864586 9.012 > 18 43 Be 0.85412557142140 0.38022792135414 0.88613440362831 9.012 > 19 44 Be 0.64587442857860 0.61977207864586 0.38613440362831 9.012 > 20 45 Be 0.88613440362831 0.85412557142140 0.38022792135414 9.012 > 21 46 Be 0.88022792135414 0.38613440362831 0.35412557142140 9.012 > 22 47 Be 0.61977207864586 0.38613440362831 0.64587442857860 9.012 > 23 48 Be 0.61977207864586 0.61386559637169 0.85412557142140 9.012 > 24 *49 N 0.75000000000000 0.47876242356227 0.50000000000000 14.007 > 25 50 N 0.47876242356227 0.50000000000000 0.75000000000000 14.007 > 26 51 N 0.00000000000000 0.25000000000000 0.97876242356227 14.007 > 27 52 N 0.52123757643773 0.00000000000000 0.75000000000000 14.007 > 28 53 N 0.50000000000000 0.25000000000000 0.02123757643773 14.007 > 29 54 N 0.25000000000000 0.02123757643773 0.50000000000000 14.007 > 30 55 N 0.75000000000000 0.02123757643773 0.00000000000000 14.007 > 31 56 N 0.02123757643773 0.00000000000000 0.75000000000000 14.007 > 32 57 N 0.50000000000000 0.25000000000000 0.52123757643773 14.007 > 33 58 N 0.97876242356227 0.50000000000000 0.75000000000000 14.007 > 34 59 N 0.00000000000000 0.25000000000000 0.47876242356227 14.007 > 35 60 N 0.25000000000000 0.47876242356227 0.00000000000000 14.007 > 36 *61 N 0.25000000000000 0.25000000000000 0.75000000000000 14.007 > 37 62 N 0.75000000000000 0.25000000000000 0.75000000000000 14.007 > 38 63 N 0.25000000000000 0.75000000000000 0.75000000000000 14.007 > 39 64 N 0.25000000000000 0.25000000000000 0.25000000000000 14.007 > 40 65 N 0.25000000000000 0.97876242356227 0.00000000000000 14.007 > 25 66 N 0.97876242356227 0.00000000000000 0.25000000000000 14.007 > 26 67 N 0.50000000000000 0.75000000000000 0.47876242356227 14.007 > 27 68 N 0.02123757643773 0.50000000000000 0.25000000000000 14.007 > 28 69 N 0.00000000000000 0.75000000000000 0.52123757643773 14.007 > 29 70 N 0.75000000000000 0.52123757643773 0.00000000000000 14.007 > 30 71 N 0.25000000000000 0.52123757643773 0.50000000000000 14.007 > 31 72 N 0.52123757643773 0.50000000000000 0.25000000000000 14.007 > 32 73 N 0.00000000000000 0.75000000000000 0.02123757643773 14.007 > 33 74 N 0.47876242356227 0.00000000000000 0.25000000000000 14.007 > 34 75 N 0.50000000000000 0.75000000000000 0.97876242356227 14.007 > 35 76 N 0.75000000000000 0.97876242356227 0.50000000000000 14.007 > 36 77 N 0.75000000000000 0.75000000000000 0.25000000000000 14.007 > 37 78 N 0.25000000000000 0.75000000000000 0.25000000000000 14.007 > 38 79 N 0.75000000000000 0.25000000000000 0.25000000000000 14.007 > 39 80 N 0.75000000000000 0.75000000000000 0.75000000000000 14.007 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6095104 0.0000000 0.0000000 0.0000000 4.6095104 0.0000000 0.0000000 0.0000000 4.6095104 -------------------------- Born effective charges -------------------------- 1 Be 1.8212878 -0.1299114 0.0672570 -0.1195246 1.6232921 -0.0982029 0.0800093 -0.0048811 1.6116717 2 Be 1.6232921 -0.0982029 -0.1195246 -0.0048811 1.6116717 0.0800093 -0.1299114 0.0672570 1.8212878 3 Be 1.6116717 0.0800093 -0.0048811 0.0672570 1.8212878 -0.1299114 -0.0982029 -0.1195246 1.6232921 4 Be 1.6232921 0.0982029 -0.1195246 0.0048811 1.6116717 -0.0800093 -0.1299114 -0.0672570 1.8212878 5 Be 1.6116717 0.0800093 0.0048811 0.0672570 1.8212878 0.1299114 0.0982029 0.1195246 1.6232921 6 Be 1.6232921 0.0982029 0.1195246 0.0048811 1.6116717 0.0800093 0.1299114 0.0672570 1.8212878 7 Be 1.6116717 -0.0800093 -0.0048811 -0.0672570 1.8212878 0.1299114 -0.0982029 0.1195246 1.6232921 8 Be 1.6116717 -0.0800093 0.0048811 -0.0672570 1.8212878 -0.1299114 0.0982029 -0.1195246 1.6232921 9 Be 1.6232921 -0.0982029 0.1195246 -0.0048811 1.6116717 -0.0800093 0.1299114 -0.0672570 1.8212878 10 Be 1.8212878 0.1299114 -0.0672570 0.1195246 1.6232921 -0.0982029 -0.0800093 -0.0048811 1.6116717 11 Be 1.8212878 -0.1299114 -0.0672570 -0.1195246 1.6232921 0.0982029 -0.0800093 0.0048811 1.6116717 12 Be 1.8212878 0.1299114 0.0672570 0.1195246 1.6232921 0.0982029 0.0800093 0.0048811 1.6116717 13 Be 1.8212878 -0.1299114 0.0672570 -0.1195246 1.6232921 -0.0982029 0.0800093 -0.0048811 1.6116717 14 Be 1.6232921 -0.0982029 -0.1195246 -0.0048811 1.6116717 0.0800093 -0.1299114 0.0672570 1.8212878 15 Be 1.6116717 0.0800093 -0.0048811 0.0672570 1.8212878 -0.1299114 -0.0982029 -0.1195246 1.6232921 16 Be 1.6232921 0.0982029 -0.1195246 0.0048811 1.6116717 -0.0800093 -0.1299114 -0.0672570 1.8212878 17 Be 1.6116717 0.0800093 0.0048811 0.0672570 1.8212878 0.1299114 0.0982029 0.1195246 1.6232921 18 Be 1.6232921 0.0982029 0.1195246 0.0048811 1.6116717 0.0800093 0.1299114 0.0672570 1.8212878 19 Be 1.6116717 -0.0800093 -0.0048811 -0.0672570 1.8212878 0.1299114 -0.0982029 0.1195246 1.6232921 20 Be 1.6116717 -0.0800093 0.0048811 -0.0672570 1.8212878 -0.1299114 0.0982029 -0.1195246 1.6232921 21 Be 1.6232921 -0.0982029 0.1195246 -0.0048811 1.6116717 -0.0800093 0.1299114 -0.0672570 1.8212878 22 Be 1.8212878 0.1299114 -0.0672570 0.1195246 1.6232921 -0.0982029 -0.0800093 -0.0048811 1.6116717 23 Be 1.8212878 -0.1299114 -0.0672570 -0.1195246 1.6232921 0.0982029 -0.0800093 0.0048811 1.6116717 24 Be 1.8212878 0.1299114 0.0672570 0.1195246 1.6232921 0.0982029 0.0800093 0.0048811 1.6116717 25 N -2.4824860 0.0000000 -0.1996588 0.0000000 -2.4611826 0.0000000 -0.3080086 0.0000000 -2.6103503 26 N -2.4611826 0.0000000 0.0000000 0.0000000 -2.6103503 -0.3080086 0.0000000 -0.1996588 -2.4824860 27 N -2.6103503 -0.3080086 0.0000000 -0.1996588 -2.4824860 0.0000000 0.0000000 0.0000000 -2.4611826 28 N -2.4611826 0.0000000 0.0000000 0.0000000 -2.6103503 0.3080086 0.0000000 0.1996588 -2.4824860 29 N -2.6103503 0.3080086 0.0000000 0.1996588 -2.4824860 0.0000000 0.0000000 0.0000000 -2.4611826 30 N -2.4824860 0.0000000 0.1996588 0.0000000 -2.4611826 0.0000000 0.3080086 0.0000000 -2.6103503 31 N -2.4824860 0.0000000 -0.1996588 0.0000000 -2.4611826 0.0000000 -0.3080086 0.0000000 -2.6103503 32 N -2.4611826 0.0000000 0.0000000 0.0000000 -2.6103503 -0.3080086 0.0000000 -0.1996588 -2.4824860 33 N -2.6103503 -0.3080086 0.0000000 -0.1996588 -2.4824860 0.0000000 0.0000000 0.0000000 -2.4611826 34 N -2.4611826 0.0000000 0.0000000 0.0000000 -2.6103503 0.3080086 0.0000000 0.1996588 -2.4824860 35 N -2.6103503 0.3080086 0.0000000 0.1996588 -2.4824860 0.0000000 0.0000000 0.0000000 -2.4611826 36 N -2.4824860 0.0000000 0.1996588 0.0000000 -2.4611826 0.0000000 0.3080086 0.0000000 -2.6103503 37 N -2.5584842 -0.1755649 0.3051801 -0.3051801 -2.5584842 -0.1755649 0.1755649 -0.3051801 -2.5584842 38 N -2.5584842 -0.1755649 -0.3051801 -0.3051801 -2.5584842 0.1755649 -0.1755649 0.3051801 -2.5584842 39 N -2.5584842 0.1755649 -0.3051801 0.3051801 -2.5584842 -0.1755649 -0.1755649 -0.3051801 -2.5584842 40 N -2.5584842 0.1755649 0.3051801 0.3051801 -2.5584842 0.1755649 0.1755649 0.3051801 -2.5584842 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 18084/18084 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 648 Number of blocks in projector: 648 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 248 Use standard eigh solver. Tree of FC basis block matrices: - (648, 631), data: False |-- (248, 241), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.345 Solver_block: 200 / 240 - Time: 0.355 Solver_block: 240 / 240 - Time: 0.175 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.884 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 18084/18084 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 648 Number of blocks in projector: 648 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 248 Use standard eigh solver. Tree of FC basis block matrices: - (648, 631), data: False |-- (248, 241), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:25:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:25:44]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ia-3 (206) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.059136410000000 4.059136410000000 4.059136410000000 b 4.059136410000000 -4.059136410000000 4.059136410000000 c 4.059136410000000 4.059136410000000 -4.059136410000000 Atomic positions (fractional): 1 Be 0.24025997504971 0.97389765006726 0.50590648227417 9.012 2 Be 0.97389765006726 0.50590648227417 0.24025997504971 9.012 3 Be 0.50590648227417 0.24025997504971 0.97389765006726 9.012 4 Be 0.73435349277554 0.99409351772583 0.96799116779309 9.012 5 Be 0.76636232498245 0.53200883220691 0.52610234993274 9.012 6 Be 0.52610234993274 0.76636232498245 0.53200883220691 9.012 7 Be 0.73363767501755 0.25974002495029 0.76564650722446 9.012 8 Be 0.99409351772583 0.96799116779309 0.73435349277555 9.012 9 Be 0.76564650722446 0.73363767501755 0.25974002495029 9.012 10 Be 0.25974002495029 0.76564650722446 0.73363767501755 9.012 11 Be 0.96799116779309 0.73435349277555 0.99409351772583 9.012 12 Be 0.53200883220691 0.52610234993274 0.76636232498245 9.012 13 Be 0.75974002495029 0.02610234993274 0.49409351772583 9.012 14 Be 0.02610234993274 0.49409351772583 0.75974002495029 9.012 15 Be 0.49409351772583 0.75974002495029 0.02610234993274 9.012 16 Be 0.26564650722446 0.00590648227417 0.03200883220691 9.012 17 Be 0.23363767501755 0.46799116779309 0.47389765006726 9.012 18 Be 0.47389765006726 0.23363767501755 0.46799116779309 9.012 19 Be 0.26636232498245 0.74025997504971 0.23435349277554 9.012 20 Be 0.00590648227417 0.03200883220691 0.26564650722445 9.012 21 Be 0.23435349277554 0.26636232498245 0.74025997504971 9.012 22 Be 0.74025997504971 0.23435349277555 0.26636232498245 9.012 23 Be 0.03200883220691 0.26564650722445 0.00590648227417 9.012 24 Be 0.46799116779309 0.47389765006726 0.23363767501755 9.012 25 N 0.97876242356227 0.25000000000000 0.22876242356227 14.007 26 N 0.25000000000000 0.22876242356227 0.97876242356227 14.007 27 N 0.22876242356227 0.97876242356227 0.25000000000000 14.007 28 N 0.75000000000000 0.27123757643773 0.52123757643773 14.007 29 N 0.27123757643773 0.52123757643773 0.75000000000000 14.007 30 N 0.52123757643773 0.75000000000000 0.27123757643773 14.007 31 N 0.02123757643773 0.75000000000000 0.77123757643773 14.007 32 N 0.75000000000000 0.77123757643773 0.02123757643773 14.007 33 N 0.77123757643773 0.02123757643773 0.75000000000000 14.007 34 N 0.25000000000000 0.72876242356227 0.47876242356227 14.007 35 N 0.72876242356227 0.47876242356227 0.25000000000000 14.007 36 N 0.47876242356227 0.25000000000000 0.72876242356227 14.007 37 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 38 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 39 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 40 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.118272820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.118272820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.118272820000000 Atomic positions (fractional): 1 Be 0.11977207864586 0.38613440362831 0.85412557142140 9.012 > 1 2 Be 0.88613440362831 0.35412557142140 0.61977207864586 9.012 > 2 3 Be 0.35412557142140 0.61977207864586 0.88613440362831 9.012 > 3 4 Be 0.11386559637169 0.85412557142140 0.88022792135414 9.012 > 4 5 Be 0.14587442857860 0.38022792135414 0.38613440362831 9.012 > 5 6 Be 0.88613440362831 0.64587442857860 0.88022792135414 9.012 > 6 7 Be 0.14587442857860 0.61977207864586 0.11386559637169 9.012 > 7 8 Be 0.35412557142140 0.38022792135414 0.61386559637169 9.012 > 8 9 Be 0.11386559637169 0.14587442857860 0.61977207864586 9.012 > 9 10 Be 0.11977207864586 0.61386559637169 0.64587442857860 9.012 > 10 11 Be 0.38022792135414 0.61386559637169 0.35412557142140 9.012 > 11 12 Be 0.38022792135414 0.38613440362831 0.14587442857860 9.012 > 12 13 Be 0.38022792135414 0.11386559637169 0.64587442857860 9.012 > 13 14 Be 0.61386559637169 0.14587442857860 0.88022792135414 9.012 > 14 15 Be 0.14587442857860 0.88022792135414 0.61386559637169 9.012 > 15 16 Be 0.38613440362831 0.64587442857860 0.61977207864586 9.012 > 16 17 Be 0.35412557142140 0.11977207864586 0.11386559637169 9.012 > 17 18 Be 0.61386559637169 0.85412557142140 0.61977207864586 9.012 > 18 19 Be 0.35412557142140 0.88022792135414 0.38613440362831 9.012 > 19 20 Be 0.14587442857860 0.11977207864586 0.88613440362831 9.012 > 20 21 Be 0.38613440362831 0.35412557142140 0.88022792135414 9.012 > 21 22 Be 0.38022792135414 0.88613440362831 0.85412557142140 9.012 > 22 23 Be 0.11977207864586 0.88613440362831 0.14587442857860 9.012 > 23 24 Be 0.11977207864586 0.11386559637169 0.35412557142140 9.012 > 24 25 Be 0.61977207864586 0.88613440362831 0.35412557142140 9.012 > 1 26 Be 0.38613440362831 0.85412557142140 0.11977207864586 9.012 > 2 27 Be 0.85412557142140 0.11977207864586 0.38613440362831 9.012 > 3 28 Be 0.61386559637169 0.35412557142140 0.38022792135414 9.012 > 4 29 Be 0.64587442857860 0.88022792135414 0.88613440362831 9.012 > 5 30 Be 0.38613440362831 0.14587442857860 0.38022792135414 9.012 > 6 31 Be 0.64587442857860 0.11977207864586 0.61386559637169 9.012 > 7 32 Be 0.85412557142140 0.88022792135414 0.11386559637169 9.012 > 8 33 Be 0.61386559637169 0.64587442857860 0.11977207864586 9.012 > 9 34 Be 0.61977207864586 0.11386559637169 0.14587442857860 9.012 > 10 35 Be 0.88022792135414 0.11386559637169 0.85412557142140 9.012 > 11 36 Be 0.88022792135414 0.88613440362831 0.64587442857860 9.012 > 12 37 Be 0.88022792135414 0.61386559637169 0.14587442857860 9.012 > 13 38 Be 0.11386559637169 0.64587442857860 0.38022792135414 9.012 > 14 39 Be 0.64587442857860 0.38022792135414 0.11386559637169 9.012 > 15 40 Be 0.88613440362831 0.14587442857860 0.11977207864586 9.012 > 16 41 Be 0.85412557142140 0.61977207864586 0.61386559637169 9.012 > 17 42 Be 0.11386559637169 0.35412557142140 0.11977207864586 9.012 > 18 43 Be 0.85412557142140 0.38022792135414 0.88613440362831 9.012 > 19 44 Be 0.64587442857860 0.61977207864586 0.38613440362831 9.012 > 20 45 Be 0.88613440362831 0.85412557142140 0.38022792135414 9.012 > 21 46 Be 0.88022792135414 0.38613440362831 0.35412557142140 9.012 > 22 47 Be 0.61977207864586 0.38613440362831 0.64587442857860 9.012 > 23 48 Be 0.61977207864586 0.61386559637169 0.85412557142140 9.012 > 24 49 N 0.75000000000000 0.47876242356227 0.50000000000000 14.007 > 49 50 N 0.47876242356227 0.50000000000000 0.75000000000000 14.007 > 50 51 N 0.00000000000000 0.25000000000000 0.97876242356227 14.007 > 51 52 N 0.52123757643773 0.00000000000000 0.75000000000000 14.007 > 52 53 N 0.50000000000000 0.25000000000000 0.02123757643773 14.007 > 53 54 N 0.25000000000000 0.02123757643773 0.50000000000000 14.007 > 54 55 N 0.75000000000000 0.02123757643773 0.00000000000000 14.007 > 55 56 N 0.02123757643773 0.00000000000000 0.75000000000000 14.007 > 56 57 N 0.50000000000000 0.25000000000000 0.52123757643773 14.007 > 57 58 N 0.97876242356227 0.50000000000000 0.75000000000000 14.007 > 58 59 N 0.00000000000000 0.25000000000000 0.47876242356227 14.007 > 59 60 N 0.25000000000000 0.47876242356227 0.00000000000000 14.007 > 60 61 N 0.25000000000000 0.25000000000000 0.75000000000000 14.007 > 61 62 N 0.75000000000000 0.25000000000000 0.75000000000000 14.007 > 62 63 N 0.25000000000000 0.75000000000000 0.75000000000000 14.007 > 63 64 N 0.25000000000000 0.25000000000000 0.25000000000000 14.007 > 64 65 N 0.25000000000000 0.97876242356227 0.00000000000000 14.007 > 49 66 N 0.97876242356227 0.00000000000000 0.25000000000000 14.007 > 50 67 N 0.50000000000000 0.75000000000000 0.47876242356227 14.007 > 51 68 N 0.02123757643773 0.50000000000000 0.25000000000000 14.007 > 52 69 N 0.00000000000000 0.75000000000000 0.52123757643773 14.007 > 53 70 N 0.75000000000000 0.52123757643773 0.00000000000000 14.007 > 54 71 N 0.25000000000000 0.52123757643773 0.50000000000000 14.007 > 55 72 N 0.52123757643773 0.50000000000000 0.25000000000000 14.007 > 56 73 N 0.00000000000000 0.75000000000000 0.02123757643773 14.007 > 57 74 N 0.47876242356227 0.00000000000000 0.25000000000000 14.007 > 58 75 N 0.50000000000000 0.75000000000000 0.97876242356227 14.007 > 59 76 N 0.75000000000000 0.97876242356227 0.50000000000000 14.007 > 60 77 N 0.75000000000000 0.75000000000000 0.25000000000000 14.007 > 61 78 N 0.25000000000000 0.75000000000000 0.25000000000000 14.007 > 62 79 N 0.75000000000000 0.25000000000000 0.25000000000000 14.007 > 63 80 N 0.75000000000000 0.75000000000000 0.75000000000000 14.007 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6095104 0.0000000 0.0000000 0.0000000 4.6095104 0.0000000 0.0000000 0.0000000 4.6095104 -------------------------- Born effective charges -------------------------- 1 Be 1.8212878 -0.1299114 0.0672570 -0.1195246 1.6232921 -0.0982029 0.0800093 -0.0048811 1.6116717 2 Be 1.6232921 -0.0982029 -0.1195246 -0.0048811 1.6116717 0.0800093 -0.1299114 0.0672570 1.8212878 3 Be 1.6116717 0.0800093 -0.0048811 0.0672570 1.8212878 -0.1299114 -0.0982029 -0.1195246 1.6232921 4 Be 1.6232921 0.0982029 -0.1195246 0.0048811 1.6116717 -0.0800093 -0.1299114 -0.0672570 1.8212878 5 Be 1.6116717 0.0800093 0.0048811 0.0672570 1.8212878 0.1299114 0.0982029 0.1195246 1.6232921 6 Be 1.6232921 0.0982029 0.1195246 0.0048811 1.6116717 0.0800093 0.1299114 0.0672570 1.8212878 7 Be 1.6116717 -0.0800093 -0.0048811 -0.0672570 1.8212878 0.1299114 -0.0982029 0.1195246 1.6232921 8 Be 1.6116717 -0.0800093 0.0048811 -0.0672570 1.8212878 -0.1299114 0.0982029 -0.1195246 1.6232921 9 Be 1.6232921 -0.0982029 0.1195246 -0.0048811 1.6116717 -0.0800093 0.1299114 -0.0672570 1.8212878 10 Be 1.8212878 0.1299114 -0.0672570 0.1195246 1.6232921 -0.0982029 -0.0800093 -0.0048811 1.6116717 11 Be 1.8212878 -0.1299114 -0.0672570 -0.1195246 1.6232921 0.0982029 -0.0800093 0.0048811 1.6116717 12 Be 1.8212878 0.1299114 0.0672570 0.1195246 1.6232921 0.0982029 0.0800093 0.0048811 1.6116717 13 Be 1.8212878 -0.1299114 0.0672570 -0.1195246 1.6232921 -0.0982029 0.0800093 -0.0048811 1.6116717 14 Be 1.6232921 -0.0982029 -0.1195246 -0.0048811 1.6116717 0.0800093 -0.1299114 0.0672570 1.8212878 15 Be 1.6116717 0.0800093 -0.0048811 0.0672570 1.8212878 -0.1299114 -0.0982029 -0.1195246 1.6232921 16 Be 1.6232921 0.0982029 -0.1195246 0.0048811 1.6116717 -0.0800093 -0.1299114 -0.0672570 1.8212878 17 Be 1.6116717 0.0800093 0.0048811 0.0672570 1.8212878 0.1299114 0.0982029 0.1195246 1.6232921 18 Be 1.6232921 0.0982029 0.1195246 0.0048811 1.6116717 0.0800093 0.1299114 0.0672570 1.8212878 19 Be 1.6116717 -0.0800093 -0.0048811 -0.0672570 1.8212878 0.1299114 -0.0982029 0.1195246 1.6232921 20 Be 1.6116717 -0.0800093 0.0048811 -0.0672570 1.8212878 -0.1299114 0.0982029 -0.1195246 1.6232921 21 Be 1.6232921 -0.0982029 0.1195246 -0.0048811 1.6116717 -0.0800093 0.1299114 -0.0672570 1.8212878 22 Be 1.8212878 0.1299114 -0.0672570 0.1195246 1.6232921 -0.0982029 -0.0800093 -0.0048811 1.6116717 23 Be 1.8212878 -0.1299114 -0.0672570 -0.1195246 1.6232921 0.0982029 -0.0800093 0.0048811 1.6116717 24 Be 1.8212878 0.1299114 0.0672570 0.1195246 1.6232921 0.0982029 0.0800093 0.0048811 1.6116717 25 N -2.4824860 0.0000000 -0.1996588 0.0000000 -2.4611826 0.0000000 -0.3080086 0.0000000 -2.6103503 26 N -2.4611826 0.0000000 0.0000000 0.0000000 -2.6103503 -0.3080086 0.0000000 -0.1996588 -2.4824860 27 N -2.6103503 -0.3080086 0.0000000 -0.1996588 -2.4824860 0.0000000 0.0000000 0.0000000 -2.4611826 28 N -2.4611826 0.0000000 0.0000000 0.0000000 -2.6103503 0.3080086 0.0000000 0.1996588 -2.4824860 29 N -2.6103503 0.3080086 0.0000000 0.1996588 -2.4824860 0.0000000 0.0000000 0.0000000 -2.4611826 30 N -2.4824860 0.0000000 0.1996588 0.0000000 -2.4611826 0.0000000 0.3080086 0.0000000 -2.6103503 31 N -2.4824860 0.0000000 -0.1996588 0.0000000 -2.4611826 0.0000000 -0.3080086 0.0000000 -2.6103503 32 N -2.4611826 0.0000000 0.0000000 0.0000000 -2.6103503 -0.3080086 0.0000000 -0.1996588 -2.4824860 33 N -2.6103503 -0.3080086 0.0000000 -0.1996588 -2.4824860 0.0000000 0.0000000 0.0000000 -2.4611826 34 N -2.4611826 0.0000000 0.0000000 0.0000000 -2.6103503 0.3080086 0.0000000 0.1996588 -2.4824860 35 N -2.6103503 0.3080086 0.0000000 0.1996588 -2.4824860 0.0000000 0.0000000 0.0000000 -2.4611826 36 N -2.4824860 0.0000000 0.1996588 0.0000000 -2.4611826 0.0000000 0.3080086 0.0000000 -2.6103503 37 N -2.5584842 -0.1755649 0.3051801 -0.3051801 -2.5584842 -0.1755649 0.1755649 -0.3051801 -2.5584842 38 N -2.5584842 -0.1755649 -0.3051801 -0.3051801 -2.5584842 0.1755649 -0.1755649 0.3051801 -2.5584842 39 N -2.5584842 0.1755649 -0.3051801 0.3051801 -2.5584842 -0.1755649 -0.1755649 -0.3051801 -2.5584842 40 N -2.5584842 0.1755649 0.3051801 0.3051801 -2.5584842 0.1755649 0.1755649 0.3051801 -2.5584842 ---------------------------------------------------------------------------- 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[ 49, 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[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 04:25:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:25:55]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ia-3 (206) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.059136410000000 4.059136410000000 4.059136410000000 b 4.059136410000000 -4.059136410000000 4.059136410000000 c 4.059136410000000 4.059136410000000 -4.059136410000000 Atomic positions (fractional): 1 Be 0.24025997504971 0.97389765006726 0.50590648227417 9.012 2 Be 0.97389765006726 0.50590648227417 0.24025997504971 9.012 3 Be 0.50590648227417 0.24025997504971 0.97389765006726 9.012 4 Be 0.73435349277554 0.99409351772583 0.96799116779309 9.012 5 Be 0.76636232498245 0.53200883220691 0.52610234993274 9.012 6 Be 0.52610234993274 0.76636232498245 0.53200883220691 9.012 7 Be 0.73363767501755 0.25974002495029 0.76564650722446 9.012 8 Be 0.99409351772583 0.96799116779309 0.73435349277555 9.012 9 Be 0.76564650722446 0.73363767501755 0.25974002495029 9.012 10 Be 0.25974002495029 0.76564650722446 0.73363767501755 9.012 11 Be 0.96799116779309 0.73435349277555 0.99409351772583 9.012 12 Be 0.53200883220691 0.52610234993274 0.76636232498245 9.012 13 Be 0.75974002495029 0.02610234993274 0.49409351772583 9.012 14 Be 0.02610234993274 0.49409351772583 0.75974002495029 9.012 15 Be 0.49409351772583 0.75974002495029 0.02610234993274 9.012 16 Be 0.26564650722446 0.00590648227417 0.03200883220691 9.012 17 Be 0.23363767501755 0.46799116779309 0.47389765006726 9.012 18 Be 0.47389765006726 0.23363767501755 0.46799116779309 9.012 19 Be 0.26636232498245 0.74025997504971 0.23435349277554 9.012 20 Be 0.00590648227417 0.03200883220691 0.26564650722445 9.012 21 Be 0.23435349277554 0.26636232498245 0.74025997504971 9.012 22 Be 0.74025997504971 0.23435349277555 0.26636232498245 9.012 23 Be 0.03200883220691 0.26564650722445 0.00590648227417 9.012 24 Be 0.46799116779309 0.47389765006726 0.23363767501755 9.012 25 N 0.97876242356227 0.25000000000000 0.22876242356227 14.007 26 N 0.25000000000000 0.22876242356227 0.97876242356227 14.007 27 N 0.22876242356227 0.97876242356227 0.25000000000000 14.007 28 N 0.75000000000000 0.27123757643773 0.52123757643773 14.007 29 N 0.27123757643773 0.52123757643773 0.75000000000000 14.007 30 N 0.52123757643773 0.75000000000000 0.27123757643773 14.007 31 N 0.02123757643773 0.75000000000000 0.77123757643773 14.007 32 N 0.75000000000000 0.77123757643773 0.02123757643773 14.007 33 N 0.77123757643773 0.02123757643773 0.75000000000000 14.007 34 N 0.25000000000000 0.72876242356227 0.47876242356227 14.007 35 N 0.72876242356227 0.47876242356227 0.25000000000000 14.007 36 N 0.47876242356227 0.25000000000000 0.72876242356227 14.007 37 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 38 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 39 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 40 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.118272820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.118272820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.118272820000000 Atomic positions (fractional): 1 Be 0.11977207864586 0.38613440362831 0.85412557142140 9.012 > 1 2 Be 0.88613440362831 0.35412557142140 0.61977207864586 9.012 > 2 3 Be 0.35412557142140 0.61977207864586 0.88613440362831 9.012 > 3 4 Be 0.11386559637169 0.85412557142140 0.88022792135414 9.012 > 4 5 Be 0.14587442857860 0.38022792135414 0.38613440362831 9.012 > 5 6 Be 0.88613440362831 0.64587442857860 0.88022792135414 9.012 > 6 7 Be 0.14587442857860 0.61977207864586 0.11386559637169 9.012 > 7 8 Be 0.35412557142140 0.38022792135414 0.61386559637169 9.012 > 8 9 Be 0.11386559637169 0.14587442857860 0.61977207864586 9.012 > 9 10 Be 0.11977207864586 0.61386559637169 0.64587442857860 9.012 > 10 11 Be 0.38022792135414 0.61386559637169 0.35412557142140 9.012 > 11 12 Be 0.38022792135414 0.38613440362831 0.14587442857860 9.012 > 12 13 Be 0.38022792135414 0.11386559637169 0.64587442857860 9.012 > 13 14 Be 0.61386559637169 0.14587442857860 0.88022792135414 9.012 > 14 15 Be 0.14587442857860 0.88022792135414 0.61386559637169 9.012 > 15 16 Be 0.38613440362831 0.64587442857860 0.61977207864586 9.012 > 16 17 Be 0.35412557142140 0.11977207864586 0.11386559637169 9.012 > 17 18 Be 0.61386559637169 0.85412557142140 0.61977207864586 9.012 > 18 19 Be 0.35412557142140 0.88022792135414 0.38613440362831 9.012 > 19 20 Be 0.14587442857860 0.11977207864586 0.88613440362831 9.012 > 20 21 Be 0.38613440362831 0.35412557142140 0.88022792135414 9.012 > 21 22 Be 0.38022792135414 0.88613440362831 0.85412557142140 9.012 > 22 23 Be 0.11977207864586 0.88613440362831 0.14587442857860 9.012 > 23 24 Be 0.11977207864586 0.11386559637169 0.35412557142140 9.012 > 24 25 Be 0.61977207864586 0.88613440362831 0.35412557142140 9.012 > 1 26 Be 0.38613440362831 0.85412557142140 0.11977207864586 9.012 > 2 27 Be 0.85412557142140 0.11977207864586 0.38613440362831 9.012 > 3 28 Be 0.61386559637169 0.35412557142140 0.38022792135414 9.012 > 4 29 Be 0.64587442857860 0.88022792135414 0.88613440362831 9.012 > 5 30 Be 0.38613440362831 0.14587442857860 0.38022792135414 9.012 > 6 31 Be 0.64587442857860 0.11977207864586 0.61386559637169 9.012 > 7 32 Be 0.85412557142140 0.88022792135414 0.11386559637169 9.012 > 8 33 Be 0.61386559637169 0.64587442857860 0.11977207864586 9.012 > 9 34 Be 0.61977207864586 0.11386559637169 0.14587442857860 9.012 > 10 35 Be 0.88022792135414 0.11386559637169 0.85412557142140 9.012 > 11 36 Be 0.88022792135414 0.88613440362831 0.64587442857860 9.012 > 12 37 Be 0.88022792135414 0.61386559637169 0.14587442857860 9.012 > 13 38 Be 0.11386559637169 0.64587442857860 0.38022792135414 9.012 > 14 39 Be 0.64587442857860 0.38022792135414 0.11386559637169 9.012 > 15 40 Be 0.88613440362831 0.14587442857860 0.11977207864586 9.012 > 16 41 Be 0.85412557142140 0.61977207864586 0.61386559637169 9.012 > 17 42 Be 0.11386559637169 0.35412557142140 0.11977207864586 9.012 > 18 43 Be 0.85412557142140 0.38022792135414 0.88613440362831 9.012 > 19 44 Be 0.64587442857860 0.61977207864586 0.38613440362831 9.012 > 20 45 Be 0.88613440362831 0.85412557142140 0.38022792135414 9.012 > 21 46 Be 0.88022792135414 0.38613440362831 0.35412557142140 9.012 > 22 47 Be 0.61977207864586 0.38613440362831 0.64587442857860 9.012 > 23 48 Be 0.61977207864586 0.61386559637169 0.85412557142140 9.012 > 24 49 N 0.75000000000000 0.47876242356227 0.50000000000000 14.007 > 49 50 N 0.47876242356227 0.50000000000000 0.75000000000000 14.007 > 50 51 N 0.00000000000000 0.25000000000000 0.97876242356227 14.007 > 51 52 N 0.52123757643773 0.00000000000000 0.75000000000000 14.007 > 52 53 N 0.50000000000000 0.25000000000000 0.02123757643773 14.007 > 53 54 N 0.25000000000000 0.02123757643773 0.50000000000000 14.007 > 54 55 N 0.75000000000000 0.02123757643773 0.00000000000000 14.007 > 55 56 N 0.02123757643773 0.00000000000000 0.75000000000000 14.007 > 56 57 N 0.50000000000000 0.25000000000000 0.52123757643773 14.007 > 57 58 N 0.97876242356227 0.50000000000000 0.75000000000000 14.007 > 58 59 N 0.00000000000000 0.25000000000000 0.47876242356227 14.007 > 59 60 N 0.25000000000000 0.47876242356227 0.00000000000000 14.007 > 60 61 N 0.25000000000000 0.25000000000000 0.75000000000000 14.007 > 61 62 N 0.75000000000000 0.25000000000000 0.75000000000000 14.007 > 62 63 N 0.25000000000000 0.75000000000000 0.75000000000000 14.007 > 63 64 N 0.25000000000000 0.25000000000000 0.25000000000000 14.007 > 64 65 N 0.25000000000000 0.97876242356227 0.00000000000000 14.007 > 49 66 N 0.97876242356227 0.00000000000000 0.25000000000000 14.007 > 50 67 N 0.50000000000000 0.75000000000000 0.47876242356227 14.007 > 51 68 N 0.02123757643773 0.50000000000000 0.25000000000000 14.007 > 52 69 N 0.00000000000000 0.75000000000000 0.52123757643773 14.007 > 53 70 N 0.75000000000000 0.52123757643773 0.00000000000000 14.007 > 54 71 N 0.25000000000000 0.52123757643773 0.50000000000000 14.007 > 55 72 N 0.52123757643773 0.50000000000000 0.25000000000000 14.007 > 56 73 N 0.00000000000000 0.75000000000000 0.02123757643773 14.007 > 57 74 N 0.47876242356227 0.00000000000000 0.25000000000000 14.007 > 58 75 N 0.50000000000000 0.75000000000000 0.97876242356227 14.007 > 59 76 N 0.75000000000000 0.97876242356227 0.50000000000000 14.007 > 60 77 N 0.75000000000000 0.75000000000000 0.25000000000000 14.007 > 61 78 N 0.25000000000000 0.75000000000000 0.25000000000000 14.007 > 62 79 N 0.75000000000000 0.25000000000000 0.25000000000000 14.007 > 63 80 N 0.75000000000000 0.75000000000000 0.75000000000000 14.007 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6095104 0.0000000 0.0000000 0.0000000 4.6095104 0.0000000 0.0000000 0.0000000 4.6095104 -------------------------- Born effective charges -------------------------- 1 Be 1.8212878 -0.1299114 0.0672570 -0.1195246 1.6232921 -0.0982029 0.0800093 -0.0048811 1.6116717 2 Be 1.6232921 -0.0982029 -0.1195246 -0.0048811 1.6116717 0.0800093 -0.1299114 0.0672570 1.8212878 3 Be 1.6116717 0.0800093 -0.0048811 0.0672570 1.8212878 -0.1299114 -0.0982029 -0.1195246 1.6232921 4 Be 1.6232921 0.0982029 -0.1195246 0.0048811 1.6116717 -0.0800093 -0.1299114 -0.0672570 1.8212878 5 Be 1.6116717 0.0800093 0.0048811 0.0672570 1.8212878 0.1299114 0.0982029 0.1195246 1.6232921 6 Be 1.6232921 0.0982029 0.1195246 0.0048811 1.6116717 0.0800093 0.1299114 0.0672570 1.8212878 7 Be 1.6116717 -0.0800093 -0.0048811 -0.0672570 1.8212878 0.1299114 -0.0982029 0.1195246 1.6232921 8 Be 1.6116717 -0.0800093 0.0048811 -0.0672570 1.8212878 -0.1299114 0.0982029 -0.1195246 1.6232921 9 Be 1.6232921 -0.0982029 0.1195246 -0.0048811 1.6116717 -0.0800093 0.1299114 -0.0672570 1.8212878 10 Be 1.8212878 0.1299114 -0.0672570 0.1195246 1.6232921 -0.0982029 -0.0800093 -0.0048811 1.6116717 11 Be 1.8212878 -0.1299114 -0.0672570 -0.1195246 1.6232921 0.0982029 -0.0800093 0.0048811 1.6116717 12 Be 1.8212878 0.1299114 0.0672570 0.1195246 1.6232921 0.0982029 0.0800093 0.0048811 1.6116717 13 Be 1.8212878 -0.1299114 0.0672570 -0.1195246 1.6232921 -0.0982029 0.0800093 -0.0048811 1.6116717 14 Be 1.6232921 -0.0982029 -0.1195246 -0.0048811 1.6116717 0.0800093 -0.1299114 0.0672570 1.8212878 15 Be 1.6116717 0.0800093 -0.0048811 0.0672570 1.8212878 -0.1299114 -0.0982029 -0.1195246 1.6232921 16 Be 1.6232921 0.0982029 -0.1195246 0.0048811 1.6116717 -0.0800093 -0.1299114 -0.0672570 1.8212878 17 Be 1.6116717 0.0800093 0.0048811 0.0672570 1.8212878 0.1299114 0.0982029 0.1195246 1.6232921 18 Be 1.6232921 0.0982029 0.1195246 0.0048811 1.6116717 0.0800093 0.1299114 0.0672570 1.8212878 19 Be 1.6116717 -0.0800093 -0.0048811 -0.0672570 1.8212878 0.1299114 -0.0982029 0.1195246 1.6232921 20 Be 1.6116717 -0.0800093 0.0048811 -0.0672570 1.8212878 -0.1299114 0.0982029 -0.1195246 1.6232921 21 Be 1.6232921 -0.0982029 0.1195246 -0.0048811 1.6116717 -0.0800093 0.1299114 -0.0672570 1.8212878 22 Be 1.8212878 0.1299114 -0.0672570 0.1195246 1.6232921 -0.0982029 -0.0800093 -0.0048811 1.6116717 23 Be 1.8212878 -0.1299114 -0.0672570 -0.1195246 1.6232921 0.0982029 -0.0800093 0.0048811 1.6116717 24 Be 1.8212878 0.1299114 0.0672570 0.1195246 1.6232921 0.0982029 0.0800093 0.0048811 1.6116717 25 N -2.4824860 0.0000000 -0.1996588 0.0000000 -2.4611826 0.0000000 -0.3080086 0.0000000 -2.6103503 26 N -2.4611826 0.0000000 0.0000000 0.0000000 -2.6103503 -0.3080086 0.0000000 -0.1996588 -2.4824860 27 N -2.6103503 -0.3080086 0.0000000 -0.1996588 -2.4824860 0.0000000 0.0000000 0.0000000 -2.4611826 28 N -2.4611826 0.0000000 0.0000000 0.0000000 -2.6103503 0.3080086 0.0000000 0.1996588 -2.4824860 29 N -2.6103503 0.3080086 0.0000000 0.1996588 -2.4824860 0.0000000 0.0000000 0.0000000 -2.4611826 30 N -2.4824860 0.0000000 0.1996588 0.0000000 -2.4611826 0.0000000 0.3080086 0.0000000 -2.6103503 31 N -2.4824860 0.0000000 -0.1996588 0.0000000 -2.4611826 0.0000000 -0.3080086 0.0000000 -2.6103503 32 N -2.4611826 0.0000000 0.0000000 0.0000000 -2.6103503 -0.3080086 0.0000000 -0.1996588 -2.4824860 33 N -2.6103503 -0.3080086 0.0000000 -0.1996588 -2.4824860 0.0000000 0.0000000 0.0000000 -2.4611826 34 N -2.4611826 0.0000000 0.0000000 0.0000000 -2.6103503 0.3080086 0.0000000 0.1996588 -2.4824860 35 N -2.6103503 0.3080086 0.0000000 0.1996588 -2.4824860 0.0000000 0.0000000 0.0000000 -2.4611826 36 N -2.4824860 0.0000000 0.1996588 0.0000000 -2.4611826 0.0000000 0.3080086 0.0000000 -2.6103503 37 N -2.5584842 -0.1755649 0.3051801 -0.3051801 -2.5584842 -0.1755649 0.1755649 -0.3051801 -2.5584842 38 N -2.5584842 -0.1755649 -0.3051801 -0.3051801 -2.5584842 0.1755649 -0.1755649 0.3051801 -2.5584842 39 N -2.5584842 0.1755649 -0.3051801 0.3051801 -2.5584842 -0.1755649 -0.1755649 -0.3051801 -2.5584842 40 N -2.5584842 0.1755649 0.3051801 0.3051801 -2.5584842 0.1755649 0.1755649 0.3051801 -2.5584842 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.64, Number of G-points: 321, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 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 11.401 ( 0.000 0.000 0.000) 0.000 11.401 ( 0.000 0.000 0.000) 0.000 11.401 ( 0.000 0.000 0.000) 0.000 11.576 ( 0.000 0.000 0.000) 0.000 12.016 ( 0.000 0.000 0.000) 0.000 12.016 ( 0.000 0.000 0.000) 0.000 12.016 ( 0.000 0.000 0.000) 0.000 12.141 ( 0.000 0.000 0.000) 0.000 12.141 ( 0.000 0.000 0.000) 0.000 12.296 ( 0.000 0.000 0.000) 0.000 12.309 ( 0.000 0.000 0.000) 0.000 12.309 ( 0.000 0.000 0.000) 0.000 12.309 ( 0.000 0.000 0.000) 0.000 12.420 ( 0.000 0.000 0.000) 0.000 12.420 ( 0.000 0.000 0.000) 0.000 12.420 ( 0.000 0.000 0.000) 0.000 12.620 ( 0.000 0.000 0.000) 0.000 12.620 ( 0.000 0.000 0.000) 0.000 12.620 ( 0.000 0.000 0.000) 0.000 13.111 ( 0.000 0.000 0.000) 0.000 13.111 ( 0.000 0.000 0.000) 0.000 13.199 ( 0.000 0.000 0.000) 0.000 13.199 ( 0.000 0.000 0.000) 0.000 13.199 ( 0.000 0.000 0.000) 0.000 14.018 ( 0.000 0.000 0.000) 0.000 14.018 ( 0.000 0.000 0.000) 0.000 14.018 ( 0.000 0.000 0.000) 0.000 14.731 ( 0.000 0.000 0.000) 0.000 14.731 ( 0.000 0.000 0.000) 0.000 14.731 ( 0.000 0.000 0.000) 0.000 14.948 ( 0.000 0.000 0.000) 0.000 14.948 ( 0.000 0.000 0.000) 0.000 14.969 ( 0.000 0.000 0.000) 0.000 14.969 ( 0.000 0.000 0.000) 0.000 14.969 ( 0.000 0.000 0.000) 0.000 15.799 ( 0.000 0.000 0.000) 0.000 15.799 ( 0.000 0.000 0.000) 0.000 16.096 ( 0.000 0.000 0.000) 0.000 16.809 ( 0.000 0.000 0.000) 0.000 16.809 ( 0.000 0.000 0.000) 0.000 16.809 ( 0.000 0.000 0.000) 0.000 17.289 ( 0.000 0.000 0.000) 0.000 17.289 ( 0.000 0.000 0.000) 0.000 17.289 ( 0.000 0.000 0.000) 0.000 17.631 ( 0.000 0.000 0.000) 0.000 17.631 ( 0.000 0.000 0.000) 0.000 17.631 ( 0.000 0.000 0.000) 0.000 17.864 ( 0.000 0.000 0.000) 0.000 17.864 ( 0.000 0.000 0.000) 0.000 17.864 ( 0.000 0.000 0.000) 0.000 18.103 ( 0.000 0.000 0.000) 0.000 18.103 ( 0.000 0.000 0.000) 0.000 18.103 ( 0.000 0.000 0.000) 0.000 18.144 ( 0.000 0.000 0.000) 0.000 18.176 ( 0.000 0.000 0.000) 0.000 18.176 ( 0.000 0.000 0.000) 0.000 18.176 ( 0.000 0.000 0.000) 0.000 18.663 ( 0.000 0.000 0.000) 0.000 18.663 ( 0.000 0.000 0.000) 0.000 18.663 ( 0.000 0.000 0.000) 0.000 19.123 ( 0.000 0.000 0.000) 0.000 19.642 ( 0.000 0.000 0.000) 0.000 19.642 ( 0.000 0.000 0.000) 0.000 19.642 ( 0.000 0.000 0.000) 0.000 19.722 ( 0.000 0.000 0.000) 0.000 19.722 ( 0.000 0.000 0.000) 0.000 19.959 ( 0.000 0.000 0.000) 0.000 19.959 ( 0.000 0.000 0.000) 0.000 19.959 ( 0.000 0.000 0.000) 0.000 20.514 ( 0.000 0.000 0.000) 0.000 20.514 ( 0.000 0.000 0.000) 0.000 20.514 ( 0.000 0.000 0.000) 0.000 21.045 ( 0.000 0.000 0.000) 0.000 21.045 ( 0.000 0.000 0.000) 0.000 21.045 ( 0.000 0.000 0.000) 0.000 21.422 ( 0.000 0.000 0.000) 0.000 21.422 ( 0.000 0.000 0.000) 0.000 21.579 ( 0.000 0.000 0.000) 0.000 21.579 ( 0.000 0.000 0.000) 0.000 21.579 ( 0.000 0.000 0.000) 0.000 21.772 ( 0.000 0.000 0.000) 0.000 21.772 ( 0.000 0.000 0.000) 0.000 21.772 ( 0.000 0.000 0.000) 0.000 22.210 ( 0.000 0.000 0.000) 0.000 22.210 ( 0.000 0.000 0.000) 0.000 22.538 ( 0.000 0.000 0.000) 0.000 22.623 ( 0.000 0.000 0.000) 0.000 22.623 ( 0.000 0.000 0.000) 0.000 22.623 ( 0.000 0.000 0.000) 0.000 22.831 ( 0.000 0.000 0.000) 0.000 22.836 ( 0.000 0.000 0.000) 0.000 22.836 ( 0.000 0.000 0.000) 0.000 22.836 ( 0.000 0.000 0.000) 0.000 22.902 ( 0.000 0.000 0.000) 0.000 22.902 ( 0.000 0.000 0.000) 0.000 22.902 ( 0.000 0.000 0.000) 0.000 23.755 ( 0.000 0.000 0.000) 0.000 23.755 ( 0.000 0.000 0.000) 0.000 23.755 ( 0.000 0.000 0.000) 0.000 24.597 ( 0.000 0.000 0.000) 0.000 24.597 ( 0.000 0.000 0.000) 0.000 24.597 ( 0.000 0.000 0.000) 0.000 25.381 ( 0.000 0.000 0.000) 0.000 26.794 ( 0.000 0.000 0.000) 0.000 26.794 ( 0.000 0.000 0.000) 0.000 26.794 ( 0.000 0.000 0.000) 0.000 28.079 ( 0.000 0.000 0.000) 0.000 28.079 ( 0.000 0.000 0.000) 0.000 28.079 ( 0.000 0.000 0.000) 0.000 28.792 ( 0.000 0.000 0.000) 0.000 29.312 ( 0.000 0.000 0.000) 0.000 29.312 ( 0.000 0.000 0.000) 0.000 29.326 ( 0.000 0.000 0.000) 0.000 29.326 ( 0.000 0.000 0.000) 0.000 29.655 ( 0.000 0.000 0.000) 0.000 29.655 ( 0.000 0.000 0.000) 0.000 29.655 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -0.000 60.273 60.159) 85.159 1.684 ( -0.000 60.793 60.936) 86.076 2.473 ( -0.000 89.681 89.659) 126.812 10.910 ( 0.000 -32.110 -33.073) 46.096 11.134 ( 0.000 -18.348 -17.508) 25.361 11.232 ( 0.000 -10.872 -10.866) 15.371 11.291 ( 0.000 -27.716 -27.278) 38.888 11.466 ( 0.000 -12.681 -8.982) 15.540 11.530 ( 0.000 -31.933 -32.514) 45.573 11.605 ( 0.000 -8.789 -12.306) 15.122 11.786 ( 0.000 -17.805 -18.913) 25.976 12.033 ( 0.000 -6.145 -16.703) 17.797 12.136 ( 0.000 -17.880 0.370) 17.884 12.331 ( 0.000 -5.256 -14.047) 14.999 12.340 ( -0.000 2.636 1.617) 3.092 12.443 ( 0.000 2.034 -7.470) 7.742 12.495 ( 0.000 -14.842 8.992) 17.354 12.659 ( -0.000 7.924 5.812) 9.827 12.704 ( -0.000 22.186 12.546) 25.487 12.840 ( -0.000 15.724 24.418) 29.043 12.868 ( -0.000 19.393 -10.829) 22.212 12.921 ( -0.000 8.220 26.280) 27.535 13.229 ( -0.000 -0.395 15.495) 15.500 13.282 ( -0.000 18.082 7.733) 19.666 13.358 ( -0.000 9.345 10.053) 13.726 13.394 ( -0.000 13.768 15.826) 20.977 13.548 ( -0.000 20.968 16.815) 26.877 14.039 ( -0.000 -1.308 1.435) 1.942 14.071 ( -0.000 5.868 0.943) 5.944 14.078 ( -0.000 3.608 5.100) 6.247 14.351 ( 0.000 -7.841 -23.445) 24.721 14.448 ( 0.000 -22.095 2.249) 22.209 14.693 ( 0.000 3.231 -5.238) 6.154 14.913 ( 0.000 -1.719 1.165) 2.076 14.936 ( -0.000 2.550 0.108) 2.552 15.111 ( -0.000 11.458 3.078) 11.864 15.272 ( -0.000 4.879 20.079) 20.664 15.411 ( -0.000 23.271 15.849) 28.156 15.836 ( 0.000 0.882 -1.436) 1.686 15.975 ( -0.000 0.677 8.451) 8.478 16.019 ( 0.000 2.164 -2.466) 3.281 16.694 ( 0.000 -0.028 -14.320) 14.320 16.784 ( 0.000 -17.427 9.370) 19.786 16.883 ( -0.000 7.549 -4.479) 8.778 17.192 ( 0.000 -9.294 -0.907) 9.338 17.202 ( 0.000 -1.235 -13.110) 13.168 17.379 ( -0.000 -1.980 5.448) 5.796 17.442 ( 0.000 -11.668 -10.188) 15.490 17.518 ( 0.000 -3.389 -14.219) 14.617 17.584 ( 0.000 1.025 -1.465) 1.788 17.667 ( 0.000 -7.415 1.047) 7.489 17.864 ( -0.000 3.671 2.053) 4.206 17.953 ( -0.000 4.486 7.063) 8.367 18.044 ( 0.000 -4.653 -4.918) 6.771 18.145 ( -0.000 -4.826 7.391) 8.827 18.215 ( -0.000 8.411 -6.789) 10.809 18.241 ( -0.000 15.962 -0.869) 15.985 18.338 ( -0.000 -2.030 18.173) 18.286 18.456 ( -0.000 6.226 15.286) 16.505 18.510 ( -0.000 20.488 8.910) 22.341 18.570 ( 0.000 -4.770 -5.053) 6.949 18.661 ( -0.000 0.172 0.616) 0.640 18.690 ( -0.000 2.090 2.298) 3.107 19.044 ( 0.000 -4.576 -4.688) 6.551 19.525 ( 0.000 -4.904 -11.798) 12.777 19.529 ( 0.000 -10.168 -3.243) 10.673 19.620 ( 0.000 -2.564 -1.315) 2.881 19.732 ( 0.000 -2.881 -2.159) 3.600 19.789 ( -0.000 5.103 3.560) 6.222 19.893 ( 0.000 -4.068 -3.867) 5.613 19.922 ( -0.000 3.335 0.354) 3.354 20.086 ( -0.000 2.292 4.755) 5.278 20.405 ( 0.000 -7.361 -7.504) 10.512 20.490 ( 0.000 -2.045 -3.702) 4.230 20.582 ( -0.000 1.131 2.225) 2.496 21.092 ( -0.000 -0.187 5.599) 5.603 21.108 ( -0.000 4.428 0.922) 4.523 21.290 ( 0.000 2.018 -14.545) 14.684 21.334 ( 0.000 -12.026 5.284) 13.136 21.421 ( 0.000 -3.488 -7.011) 7.830 21.510 ( 0.000 -9.574 1.984) 9.778 21.520 ( -0.000 7.394 -5.251) 9.069 21.655 ( -0.000 6.556 11.309) 13.072 21.886 ( -0.000 13.510 -3.024) 13.845 21.921 ( -0.000 -2.391 12.243) 12.474 22.043 ( 0.000 -5.473 -8.876) 10.428 22.151 ( 0.000 -5.537 -1.308) 5.689 22.532 ( 0.000 -0.347 -1.092) 1.146 22.639 ( 0.000 -5.637 -1.441) 5.818 22.643 ( -0.000 8.194 -1.209) 8.283 22.689 ( 0.000 -4.034 -4.331) 5.919 22.702 ( 0.000 -9.193 -0.152) 9.195 22.801 ( -0.000 11.618 1.772) 11.752 22.822 ( 0.000 -6.363 -2.905) 6.995 22.934 ( -0.000 13.196 15.226) 20.148 23.031 ( -0.000 5.827 8.977) 10.702 23.068 ( -0.000 9.771 3.146) 10.265 23.117 ( -0.000 9.923 13.228) 16.536 23.732 ( -0.000 0.182 0.961) 0.978 23.792 ( -0.000 3.641 1.811) 4.066 23.793 ( -0.000 1.911 3.123) 3.661 24.512 ( 0.000 -2.904 -3.408) 4.478 24.547 ( 0.000 -3.834 -2.656) 4.664 24.582 ( 0.000 -0.850 -1.529) 1.750 25.495 ( -0.000 8.139 8.127) 11.502 26.745 ( 0.000 -5.020 -1.753) 5.317 26.772 ( 0.000 0.727 -4.215) 4.277 26.855 ( -0.000 3.298 5.006) 5.995 27.934 ( 0.000 -8.726 -9.600) 12.973 28.045 ( 0.000 -3.237 -0.903) 3.360 28.088 ( -0.000 1.288 -0.135) 1.295 28.800 ( 0.000 -1.264 -1.404) 1.889 29.150 ( 0.000 -9.601 -9.396) 13.434 29.265 ( 0.000 -2.454 -2.900) 3.799 29.275 ( 0.000 -2.570 -2.967) 3.926 29.337 ( -0.000 1.146 1.772) 2.110 29.668 ( -0.000 -0.033 2.507) 2.507 29.731 ( -0.000 6.794 2.631) 7.285 29.796 ( -0.000 6.371 8.086) 10.294 31.300 ( 0.000 -2.954 -2.967) 4.187 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -0.000 59.168 59.071) 83.608 3.316 ( -0.000 58.003 58.232) 82.191 4.890 ( -0.000 86.569 86.487) 122.369 9.896 ( 0.000 -38.932 -40.485) 56.167 10.490 ( 0.000 -41.261 -41.685) 58.652 10.515 ( 0.000 -28.739 -26.914) 39.374 10.528 ( 0.000 -25.579 -23.975) 35.058 10.915 ( 0.000 -11.063 -12.857) 16.962 11.057 ( 0.000 -15.489 -13.008) 20.227 11.276 ( 0.000 -11.509 -23.183) 25.883 11.485 ( 0.000 -9.924 1.141) 9.989 11.619 ( 0.000 -18.321 -13.391) 22.693 11.792 ( 0.000 -15.156 -19.930) 25.038 12.127 ( 0.000 -5.365 2.014) 5.731 12.255 ( 0.000 -4.123 -5.147) 6.595 12.444 ( 0.000 3.194 -3.816) 4.977 12.548 ( -0.000 11.233 -5.005) 12.297 12.787 ( -0.000 -4.082 3.831) 5.598 12.901 ( -0.000 3.840 3.558) 5.235 13.060 ( -0.000 5.106 7.107) 8.751 13.148 ( -0.000 3.595 7.084) 7.944 13.359 ( -0.000 3.380 16.477) 16.820 13.454 ( -0.000 3.706 13.617) 14.112 13.735 ( -0.000 19.850 17.257) 26.302 13.744 ( -0.000 20.007 12.186) 23.425 13.834 ( 0.000 -5.933 -16.285) 17.332 13.857 ( -0.000 12.584 14.909) 19.510 13.954 ( -0.000 10.547 0.812) 10.578 14.153 ( -0.000 6.700 2.142) 7.034 14.169 ( -0.000 3.363 2.410) 4.137 14.299 ( -0.000 10.518 12.246) 16.143 14.372 ( -0.000 -2.263 17.038) 17.187 14.762 ( -0.000 10.825 0.673) 10.846 14.950 ( -0.000 4.119 3.007) 5.100 15.028 ( -0.000 3.822 5.992) 7.107 15.341 ( -0.000 12.895 5.602) 14.059 15.446 ( 0.000 -18.720 -29.878) 35.258 15.574 ( -0.000 4.698 11.185) 12.132 15.915 ( -0.000 19.457 13.257) 23.544 15.955 ( -0.000 -3.923 6.332) 7.449 16.159 ( -0.000 -3.297 8.793) 9.391 16.583 ( 0.000 -29.243 9.897) 30.872 16.653 ( -0.000 14.127 -8.210) 16.340 16.897 ( 0.000 8.976 -12.996) 15.794 17.033 ( 0.000 -1.127 -6.130) 6.233 17.056 ( 0.000 -6.407 -6.396) 9.053 17.225 ( 0.000 -2.883 -0.858) 3.008 17.349 ( 0.000 -2.111 -0.471) 2.163 17.435 ( -0.000 -0.721 1.438) 1.609 17.584 ( 0.000 3.108 -7.364) 7.993 17.615 ( 0.000 -8.405 3.536) 9.118 17.836 ( 0.000 -8.770 -7.020) 11.234 17.920 ( 0.000 -2.665 -1.254) 2.945 18.079 ( -0.000 2.605 2.913) 3.908 18.215 ( -0.000 -1.500 8.760) 8.887 18.334 ( -0.000 14.369 1.131) 14.413 18.338 ( 0.000 -1.975 -6.315) 6.616 18.442 ( -0.000 4.391 6.325) 7.700 18.516 ( 0.000 -1.702 -1.964) 2.599 18.623 ( -0.000 7.540 9.322) 11.990 18.712 ( -0.000 0.039 1.238) 1.238 18.876 ( -0.000 8.028 16.124) 18.012 18.919 ( -0.000 6.500 -0.131) 6.501 19.001 ( -0.000 14.830 7.429) 16.587 19.238 ( 0.000 -10.442 -11.344) 15.418 19.339 ( 0.000 -9.704 -3.601) 10.351 19.553 ( 0.000 -2.761 -1.262) 3.036 19.593 ( 0.000 -5.999 -3.788) 7.095 19.775 ( 0.000 -0.494 -8.462) 8.477 19.894 ( -0.000 2.186 -1.342) 2.565 20.014 ( 0.000 -3.939 0.405) 3.959 20.167 ( -0.000 -3.716 4.719) 6.006 20.260 ( -0.000 3.661 1.316) 3.890 20.347 ( 0.000 -2.825 -9.802) 10.201 20.489 ( 0.000 -7.212 -5.211) 8.897 21.093 ( 0.000 -2.462 -3.690) 4.435 21.109 ( 0.000 -2.421 1.574) 2.887 21.171 ( 0.000 -4.347 -0.532) 4.380 21.303 ( -0.000 2.061 -0.171) 2.069 21.415 ( 0.000 -6.983 1.310) 7.104 21.452 ( -0.000 9.222 -3.793) 9.971 21.550 ( -0.000 2.296 0.227) 2.307 21.860 ( -0.000 -5.995 4.928) 7.760 21.869 ( 0.000 0.372 -6.913) 6.923 22.029 ( -0.000 4.563 12.122) 12.952 22.037 ( 0.000 -9.544 0.432) 9.554 22.062 ( -0.000 14.625 -2.789) 14.888 22.463 ( 0.000 -3.320 -7.175) 7.906 22.537 ( 0.000 -1.174 -5.321) 5.449 22.576 ( 0.000 -13.333 -0.112) 13.334 22.615 ( -0.000 -3.149 3.458) 4.677 22.655 ( 0.000 -1.138 -1.510) 1.890 22.913 ( -0.000 16.199 9.950) 19.011 23.000 ( -0.000 10.356 -0.865) 10.392 23.177 ( -0.000 5.408 8.673) 10.221 23.212 ( -0.000 6.815 1.874) 7.068 23.362 ( -0.000 12.020 16.084) 20.079 23.478 ( -0.000 12.371 14.461) 19.031 23.757 ( -0.000 -1.183 3.405) 3.604 23.857 ( -0.000 1.042 1.705) 1.998 23.901 ( -0.000 6.260 3.484) 7.164 24.412 ( 0.000 -4.097 -3.337) 5.284 24.460 ( 0.000 -2.366 -2.172) 3.211 24.530 ( 0.000 -2.008 -3.178) 3.759 25.799 ( -0.000 13.417 13.239) 18.849 26.633 ( 0.000 -6.340 -2.049) 6.663 26.690 ( 0.000 -0.366 -8.194) 8.202 26.994 ( -0.000 3.243 7.398) 8.078 27.624 ( 0.000 -12.128 -13.655) 18.263 27.996 ( 0.000 -2.360 0.285) 2.377 28.103 ( -0.000 0.888 -0.076) 0.891 28.626 ( 0.000 -10.889 -12.044) 16.237 28.899 ( 0.000 -8.486 -7.353) 11.229 29.201 ( 0.000 0.070 -4.733) 4.734 29.214 ( 0.000 -0.220 -2.424) 2.434 29.371 ( -0.000 -2.851 4.459) 5.293 29.740 ( -0.000 2.310 5.696) 6.146 29.876 ( -0.000 10.012 0.750) 10.040 29.990 ( -0.000 4.516 9.353) 10.386 31.178 ( 0.000 -5.880 -5.989) 8.393 ======================= Grid point 3 (4/45) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.853 ( -0.000 53.867 54.267) 76.463 4.886 ( -0.000 57.366 57.334) 81.105 7.185 ( -0.000 80.579 80.403) 113.832 8.770 ( 0.000 -41.741 -43.151) 60.036 9.261 ( 0.000 -47.167 -47.752) 67.120 9.837 ( 0.000 -22.208 -18.821) 29.110 9.900 ( 0.000 -18.714 -20.872) 28.033 10.630 ( 0.000 -8.633 -8.102) 11.839 10.729 ( 0.000 -11.261 -8.691) 14.225 10.868 ( 0.000 -5.964 -16.547) 17.589 11.166 ( 0.000 -23.511 -9.137) 25.224 11.354 ( 0.000 -9.201 -0.286) 9.205 11.412 ( 0.000 -3.374 -14.863) 15.241 12.043 ( 0.000 -15.907 -14.416) 21.468 12.144 ( -0.000 -2.146 6.553) 6.896 12.402 ( 0.000 2.864 -7.169) 7.720 12.596 ( 0.000 14.744 -15.832) 21.634 12.726 ( 0.000 5.591 -7.013) 8.969 12.901 ( 0.000 -20.090 -11.133) 22.969 13.094 ( -0.000 -8.469 25.358) 26.735 13.221 ( 0.000 -1.357 -11.015) 11.099 13.335 ( -0.000 -20.124 18.320) 27.214 13.651 ( -0.000 0.774 7.760) 7.798 13.757 ( -0.000 12.731 -9.685) 15.996 13.809 ( 0.000 -4.179 -3.384) 5.377 14.061 ( -0.000 2.873 -1.865) 3.425 14.205 ( -0.000 12.150 11.272) 16.573 14.208 ( -0.000 14.706 6.203) 15.961 14.301 ( -0.000 12.030 -5.356) 13.168 14.320 ( -0.000 -0.408 13.056) 13.063 14.649 ( -0.000 10.972 9.900) 14.778 14.723 ( -0.000 19.554 7.150) 20.820 14.872 ( -0.000 8.964 5.175) 10.350 15.091 ( -0.000 5.940 5.077) 7.814 15.126 ( -0.000 8.275 10.723) 13.544 15.175 ( -0.000 6.151 4.730) 7.759 15.604 ( -0.000 10.581 8.580) 13.622 15.723 ( -0.000 4.168 6.328) 7.578 15.974 ( 0.000 -0.244 -0.314) 0.397 16.237 ( -0.000 -5.804 10.242) 11.773 16.345 ( -0.000 -4.178 24.386) 24.741 16.351 ( 0.000 -7.787 4.297) 8.894 16.562 ( 0.000 -2.035 -15.394) 15.528 16.790 ( 0.000 7.613 -19.015) 20.482 16.901 ( 0.000 -6.763 -2.626) 7.255 16.922 ( 0.000 -7.742 -4.205) 8.811 17.212 ( 0.000 0.155 -1.602) 1.609 17.332 ( 0.000 -0.405 -13.945) 13.951 17.406 ( 0.000 -8.214 -9.157) 12.301 17.437 ( 0.000 -19.239 -2.007) 19.344 17.559 ( -0.000 15.349 10.592) 18.649 17.728 ( 0.000 -0.827 -0.048) 0.828 17.797 ( 0.000 1.004 -7.658) 7.723 18.160 ( -0.000 0.191 5.077) 5.081 18.264 ( 0.000 -4.495 -2.775) 5.283 18.281 ( 0.000 -3.303 2.625) 4.219 18.452 ( -0.000 3.131 -0.961) 3.275 18.554 ( -0.000 12.450 1.614) 12.555 18.583 ( -0.000 -3.386 12.320) 12.777 18.650 ( 0.000 -6.101 -1.538) 6.292 18.912 ( -0.000 15.046 5.121) 15.894 18.987 ( -0.000 8.059 -6.276) 10.215 19.038 ( -0.000 -3.116 4.944) 5.844 19.160 ( -0.000 0.142 2.309) 2.313 19.247 ( -0.000 7.617 6.958) 10.317 19.318 ( -0.000 12.904 -0.276) 12.907 19.493 ( 0.000 -8.235 2.342) 8.562 19.579 ( -0.000 3.238 0.411) 3.264 19.670 ( 0.000 2.257 -2.028) 3.034 19.683 ( 0.000 -9.693 -8.196) 12.693 20.052 ( 0.000 -3.701 -0.364) 3.719 20.055 ( 0.000 -4.726 -5.912) 7.569 20.138 ( 0.000 -5.425 -2.092) 5.814 20.206 ( 0.000 -9.238 -2.219) 9.501 20.619 ( -0.000 9.856 10.356) 14.296 21.023 ( 0.000 0.389 -3.915) 3.934 21.084 ( 0.000 -9.775 0.891) 9.816 21.130 ( -0.000 -0.169 0.525) 0.551 21.264 ( 0.000 -9.729 -5.874) 11.364 21.297 ( 0.000 3.882 -9.077) 9.872 21.452 ( 0.000 6.194 -8.548) 10.556 21.607 ( -0.000 0.758 5.494) 5.546 21.738 ( 0.000 -10.239 -2.108) 10.454 21.831 ( 0.000 -2.920 0.656) 2.993 21.932 ( 0.000 -5.674 0.754) 5.724 22.084 ( 0.000 -3.080 -9.175) 9.678 22.218 ( -0.000 11.043 -1.778) 11.186 22.397 ( 0.000 -15.818 8.639) 18.023 22.445 ( -0.000 7.755 -0.199) 7.758 22.489 ( 0.000 2.317 -2.182) 3.183 22.684 ( -0.000 2.771 1.306) 3.063 22.692 ( -0.000 0.445 7.758) 7.771 23.055 ( -0.000 10.130 -7.059) 12.347 23.260 ( -0.000 5.481 8.798) 10.366 23.371 ( -0.000 12.154 9.140) 15.208 23.409 ( -0.000 9.489 8.039) 12.437 23.692 ( -0.000 6.415 11.992) 13.600 23.779 ( -0.000 -3.297 4.451) 5.540 23.813 ( -0.000 10.372 11.607) 15.566 23.862 ( 0.000 -0.563 -0.432) 0.710 24.020 ( -0.000 3.907 1.753) 4.282 24.318 ( 0.000 -3.373 -2.821) 4.397 24.437 ( 0.000 0.657 -0.602) 0.891 24.453 ( 0.000 -2.008 -3.118) 3.709 26.175 ( -0.000 13.460 12.940) 18.671 26.546 ( 0.000 -3.833 -0.010) 3.833 26.556 ( 0.000 -0.993 -8.604) 8.661 27.126 ( -0.000 1.763 7.859) 8.054 27.248 ( 0.000 -13.493 -15.014) 20.186 27.993 ( -0.000 -0.163 0.658) 0.678 28.107 ( 0.000 -0.315 0.143) 0.346 28.228 ( 0.000 -14.893 -17.343) 22.860 28.762 ( 0.000 -3.905 0.777) 3.981 29.108 ( 0.000 1.180 -10.290) 10.357 29.211 ( -0.000 4.263 -2.115) 4.759 29.373 ( -0.000 -8.770 7.308) 11.416 29.868 ( -0.000 3.115 6.537) 7.242 29.997 ( -0.000 8.617 -2.659) 9.018 30.193 ( -0.000 5.468 11.073) 12.349 30.979 ( 0.000 -8.325 -8.739) 12.070 ======================= Grid point 4 (5/45) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.271 ( -0.000 49.182 49.861) 70.036 6.424 ( -0.000 54.859 54.959) 77.653 7.569 ( 0.000 -44.930 -45.993) 64.297 7.882 ( 0.000 -51.153 -51.247) 72.408 9.203 ( -0.000 49.125 46.503) 67.645 9.445 ( 0.000 -9.719 -5.528) 11.181 9.601 ( -0.000 16.353 14.202) 21.659 10.479 ( 0.000 -2.749 -1.886) 3.334 10.511 ( 0.000 -5.178 -5.366) 7.457 10.695 ( 0.000 1.166 -5.941) 6.055 10.815 ( 0.000 -14.739 -2.077) 14.884 11.113 ( 0.000 -48.403 -52.118) 71.128 11.258 ( 0.000 1.221 -6.408) 6.523 11.258 ( 0.000 -6.807 0.747) 6.848 12.231 ( -0.000 -0.684 8.564) 8.591 12.337 ( 0.000 3.320 -9.594) 10.152 12.537 ( 0.000 9.852 -13.944) 17.073 12.558 ( 0.000 -16.748 5.884) 17.751 12.797 ( -0.000 12.751 -2.890) 13.074 12.978 ( 0.000 -12.206 -4.208) 12.911 13.314 ( -0.000 -5.073 18.202) 18.895 13.382 ( -0.000 -6.642 8.910) 11.114 13.628 ( 0.000 -1.865 -1.608) 2.462 13.697 ( 0.000 7.608 -18.384) 19.896 13.835 ( -0.000 -2.743 8.833) 9.249 13.923 ( 0.000 0.832 -9.357) 9.394 14.364 ( -0.000 -2.142 7.244) 7.554 14.368 ( -0.000 5.495 -0.257) 5.501 14.472 ( -0.000 12.998 -3.294) 13.409 14.487 ( -0.000 1.431 6.057) 6.224 14.864 ( -0.000 3.065 7.629) 8.221 14.930 ( -0.000 7.329 -4.390) 8.543 15.253 ( -0.000 11.295 11.718) 16.275 15.307 ( -0.000 4.036 2.979) 5.017 15.314 ( -0.000 9.208 7.680) 11.990 15.412 ( -0.000 4.256 9.344) 10.268 15.801 ( -0.000 3.142 4.409) 5.414 15.868 ( -0.000 -2.731 5.039) 5.732 16.054 ( -0.000 16.968 3.400) 17.305 16.176 ( -0.000 -6.625 9.735) 11.775 16.305 ( 0.000 -5.189 -10.863) 12.038 16.381 ( 0.000 -4.084 -6.861) 7.985 16.537 ( -0.000 -16.038 17.932) 24.058 16.546 ( 0.000 -1.231 -14.653) 14.705 16.790 ( 0.000 7.023 -11.162) 13.188 16.800 ( 0.000 -10.384 5.636) 11.815 17.081 ( 0.000 -6.830 -4.069) 7.950 17.111 ( 0.000 2.452 -14.646) 14.849 17.268 ( 0.000 1.447 -2.989) 3.321 17.276 ( 0.000 -5.972 2.671) 6.542 17.734 ( -0.000 -0.504 1.449) 1.534 17.751 ( 0.000 2.050 -3.540) 4.090 17.867 ( -0.000 11.053 5.529) 12.358 18.086 ( 0.000 -10.099 -5.644) 11.569 18.223 ( -0.000 0.086 3.209) 3.210 18.263 ( -0.000 -0.757 0.705) 1.034 18.525 ( -0.000 6.211 -0.109) 6.212 18.585 ( 0.000 -5.358 2.606) 5.958 18.683 ( -0.000 -3.608 8.305) 9.055 18.686 ( -0.000 7.452 -2.764) 7.948 18.999 ( -0.000 1.953 1.474) 2.447 19.046 ( 0.000 -2.851 1.275) 3.123 19.166 ( -0.000 9.326 0.077) 9.326 19.200 ( -0.000 3.113 4.255) 5.272 19.358 ( 0.000 -7.239 -0.812) 7.284 19.371 ( 0.000 1.556 -6.414) 6.600 19.485 ( -0.000 8.395 2.157) 8.667 19.529 ( -0.000 5.651 -4.133) 7.001 19.637 ( -0.000 7.328 3.544) 8.140 19.724 ( 0.000 2.863 -5.259) 5.987 19.808 ( 0.000 -11.915 -4.593) 12.770 19.888 ( 0.000 -19.949 -1.739) 20.025 20.240 ( -0.000 11.883 11.516) 16.548 20.313 ( -0.000 4.010 13.784) 14.355 20.815 ( 0.000 -1.389 0.669) 1.542 20.875 ( 0.000 -11.976 -9.197) 15.100 20.903 ( 0.000 -0.093 -12.058) 12.059 20.971 ( 0.000 -3.135 -2.253) 3.860 21.193 ( 0.000 -5.681 3.674) 6.766 21.197 ( 0.000 1.580 -6.441) 6.632 21.503 ( -0.000 11.365 -2.786) 11.702 21.597 ( 0.000 -5.045 -1.099) 5.163 21.713 ( -0.000 4.335 3.282) 5.437 21.792 ( 0.000 -9.069 5.832) 10.783 21.877 ( 0.000 0.221 -2.415) 2.425 21.935 ( 0.000 -4.051 -4.919) 6.372 22.295 ( -0.000 6.238 -4.059) 7.442 22.313 ( 0.000 -7.414 4.906) 8.890 22.522 ( -0.000 1.293 1.897) 2.295 22.537 ( -0.000 3.493 -1.261) 3.714 22.736 ( -0.000 2.656 0.380) 2.683 22.757 ( -0.000 -2.233 2.896) 3.657 23.163 ( -0.000 16.636 -4.770) 17.307 23.301 ( 0.000 -10.790 5.312) 12.027 23.614 ( -0.000 8.620 2.682) 9.028 23.654 ( -0.000 1.230 9.378) 9.458 23.824 ( -0.000 3.857 1.567) 4.163 23.843 ( -0.000 -0.689 4.632) 4.683 23.863 ( -0.000 2.220 2.083) 3.045 23.998 ( 0.000 -3.622 -4.516) 5.789 24.078 ( -0.000 7.240 7.798) 10.641 24.232 ( 0.000 -3.213 -4.375) 5.428 24.418 ( -0.000 -0.094 0.255) 0.272 24.432 ( 0.000 0.121 -1.157) 1.164 26.468 ( -0.000 4.976 1.668) 5.248 26.470 ( 0.000 1.529 -3.614) 3.924 26.544 ( -0.000 2.796 10.688) 11.047 26.863 ( 0.000 -12.512 -14.391) 19.070 27.330 ( -0.000 8.861 13.603) 16.235 27.727 ( 0.000 -15.320 -17.843) 23.518 28.060 ( -0.000 2.269 0.349) 2.295 28.095 ( 0.000 -1.630 -0.208) 1.644 28.809 ( -0.000 -0.749 9.566) 9.595 28.960 ( 0.000 0.716 -12.611) 12.631 29.263 ( -0.000 8.664 -3.724) 9.430 29.331 ( 0.000 -10.758 6.309) 12.472 29.981 ( -0.000 0.475 5.909) 5.928 30.032 ( 0.000 3.894 -4.622) 6.044 30.445 ( -0.000 8.429 11.365) 14.149 30.721 ( 0.000 -9.439 -10.628) 14.214 ======================= Grid point 10 (6/45) ======================= q-point: ( 0.11 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 34.140 34.082 66.876) 82.460 2.878 ( 34.105 34.216 68.572) 83.881 4.262 ( 50.359 50.324 102.563) 124.851 10.399 ( -4.198 -35.069 -36.749) 50.970 10.422 ( -36.369 -3.714 -34.931) 50.564 10.790 ( -27.012 -29.122 -11.720) 41.413 10.838 ( -16.254 -19.123 -29.791) 38.954 10.896 ( -27.115 -25.359 -27.881) 46.429 10.999 ( -23.864 -21.139 -26.432) 41.413 11.427 ( 11.044 6.915 -26.602) 29.621 11.722 ( 2.175 4.781 -5.771) 7.804 11.835 ( -7.458 -4.939 -7.061) 11.396 12.010 ( -4.473 0.117 -16.074) 16.685 12.061 ( 3.394 -1.546 -15.855) 16.288 12.227 ( 6.716 6.977 -12.421) 15.750 12.448 ( 14.056 6.025 -13.193) 20.197 12.490 ( 7.396 8.354 -6.552) 12.939 12.672 ( -0.215 6.958 -8.081) 10.666 12.920 ( 6.404 -0.498 11.820) 13.453 12.966 ( 0.572 -1.261 7.928) 8.048 13.236 ( -1.488 0.895 26.550) 26.607 13.267 ( -4.261 4.651 20.914) 21.845 13.427 ( 1.958 7.370 19.269) 20.723 13.464 ( 2.652 -0.502 18.819) 19.012 13.667 ( 14.078 11.152 13.308) 22.354 13.804 ( 6.203 13.218 17.794) 23.018 13.827 ( 10.380 0.166 19.439) 22.038 13.973 ( 0.262 1.570 -14.976) 15.060 14.044 ( 7.914 -2.348 -9.936) 12.918 14.177 ( 1.946 2.310 1.698) 3.465 14.248 ( 9.508 7.646 9.937) 15.735 14.379 ( -9.882 7.131 5.023) 13.181 14.675 ( 2.407 -5.566 6.435) 8.842 14.938 ( 2.943 2.060 2.832) 4.574 15.043 ( -2.482 -0.764 9.376) 9.729 15.182 ( 3.085 -0.365 7.098) 7.748 15.601 ( 3.978 10.270 11.639) 16.024 15.657 ( 7.855 1.800 7.642) 11.106 15.761 ( 3.158 -7.869 -14.802) 17.059 15.908 ( -4.000 8.127 -0.608) 9.078 16.144 ( -8.369 -4.657 12.400) 15.668 16.500 ( 7.179 8.212 -20.984) 23.649 16.741 ( -6.074 2.270 -0.258) 6.490 16.908 ( -0.022 -11.569 10.166) 15.401 17.068 ( 1.111 -2.792 -5.515) 6.281 17.145 ( -2.294 -8.702 -8.314) 12.252 17.157 ( -10.629 -2.727 -0.865) 11.007 17.315 ( -6.291 -4.521 -3.670) 8.572 17.557 ( 6.705 4.031 -12.080) 14.392 17.591 ( -0.236 7.811 -1.799) 8.019 17.651 ( 5.926 -0.449 3.064) 6.686 17.894 ( -2.737 -1.659 -10.874) 11.335 17.980 ( -6.672 4.041 6.907) 10.419 18.022 ( 1.344 -4.374 8.740) 9.866 18.135 ( 1.297 2.079 1.078) 2.677 18.252 ( -1.216 -5.620 8.412) 10.189 18.324 ( 9.566 7.549 -5.111) 13.214 18.429 ( -2.234 -2.477 -3.363) 4.737 18.579 ( 2.676 2.517 1.075) 3.828 18.656 ( 3.197 -2.741 -0.296) 4.222 18.670 ( -2.213 8.359 17.043) 19.111 18.695 ( 3.928 4.486 7.247) 9.385 18.875 ( 8.101 4.687 18.586) 20.809 18.959 ( -1.868 -3.127 -0.472) 3.673 19.309 ( -5.889 -7.739 -9.748) 13.769 19.359 ( -11.250 -7.817 -7.236) 15.493 19.591 ( 0.475 2.126 -3.122) 3.807 19.718 ( -4.930 2.819 -7.067) 9.066 19.746 ( 5.257 -5.585 -3.828) 8.572 19.964 ( 7.443 -0.762 3.371) 8.207 19.983 ( 1.650 8.243 5.523) 10.059 20.139 ( -2.963 1.444 3.958) 5.151 20.263 ( -7.532 -4.205 -7.660) 11.536 20.300 ( -5.305 -11.205 -5.713) 13.650 20.622 ( 3.276 2.971 -8.143) 9.266 21.060 ( 0.778 0.712 -8.080) 8.149 21.135 ( -1.614 3.452 -3.563) 5.217 21.227 ( 7.074 -1.275 -0.537) 7.208 21.245 ( -9.246 -3.553 -1.039) 9.960 21.412 ( 2.220 -0.263 -3.457) 4.117 21.476 ( -0.381 2.890 4.988) 5.778 21.596 ( 1.124 -5.148 4.776) 7.111 21.710 ( -1.938 2.367 7.883) 8.456 21.880 ( 2.714 2.220 -9.030) 9.687 22.005 ( 5.546 4.094 -1.368) 7.028 22.100 ( 2.001 3.551 1.400) 4.310 22.109 ( -1.508 -0.223 5.123) 5.344 22.492 ( -0.992 -2.694 -3.269) 4.351 22.564 ( -0.883 -2.479 -6.325) 6.851 22.606 ( -2.687 -0.262 -4.046) 4.864 22.621 ( -1.891 5.165 -1.389) 5.673 22.681 ( -2.641 -1.775 -4.333) 5.376 22.741 ( -0.957 -7.338 10.098) 12.519 23.019 ( 13.753 9.293 7.021) 18.022 23.144 ( 2.067 4.527 5.145) 7.158 23.175 ( 4.064 0.679 9.951) 10.770 23.263 ( 2.779 3.668 18.025) 18.603 23.342 ( 5.827 8.086 14.709) 17.768 23.732 ( -1.803 -0.276 1.351) 2.270 23.856 ( 2.640 3.481 3.085) 5.349 23.879 ( 3.381 1.862 5.594) 6.796 24.425 ( -0.398 -0.333 -6.499) 6.519 24.512 ( -4.232 -2.144 -1.642) 5.020 24.528 ( -1.943 -4.142 -1.227) 4.737 25.705 ( 7.863 7.797 13.849) 17.731 26.663 ( -2.708 -0.425 -6.395) 6.958 26.722 ( -2.007 -6.072 -1.322) 6.530 26.956 ( 4.505 6.494 4.124) 8.915 27.723 ( -3.048 -3.909 -16.179) 16.921 28.032 ( -3.844 0.868 -0.932) 4.050 28.059 ( 0.005 -3.773 -0.094) 3.774 28.739 ( 2.937 2.385 -12.613) 13.168 28.941 ( 0.231 0.755 -18.704) 18.721 29.133 ( 0.602 -0.587 -12.590) 12.618 29.246 ( -7.214 -7.505 6.092) 12.062 29.421 ( -7.319 -5.795 13.963) 16.796 29.718 ( 0.892 3.411 3.450) 4.933 29.821 ( 7.616 2.917 3.771) 8.986 29.944 ( -0.830 1.063 11.938) 12.013 31.220 ( -5.806 -5.846 -2.946) 8.751 ======================= Grid point 11 (7/45) ======================= q-point: ( 0.22 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.284 ( 18.444 43.701 62.656) 78.586 4.329 ( 20.451 41.314 65.566) 80.150 6.419 ( 33.710 62.665 95.677) 119.237 9.354 ( -0.600 -41.651 -37.927) 56.335 9.800 ( -19.170 -32.643 -38.767) 54.185 9.890 ( -21.356 -23.380 -33.552) 46.135 10.130 ( -12.740 -31.938 -16.151) 37.990 10.355 ( -43.060 -8.738 -21.084) 48.734 10.524 ( -37.731 -15.149 -10.867) 42.086 11.096 ( 14.713 -4.008 -21.440) 26.310 11.480 ( 12.089 -17.309 -11.605) 24.091 11.684 ( 11.714 -3.172 -12.397) 17.348 11.770 ( 16.525 0.521 -11.799) 20.312 12.010 ( -5.014 9.674 -3.273) 11.377 12.175 ( 11.658 8.029 -11.878) 18.479 12.363 ( 8.070 14.938 -19.981) 26.220 12.455 ( 6.992 -0.434 -7.481) 10.249 12.653 ( 2.988 8.823 -10.688) 14.177 13.004 ( 2.166 5.999 -10.941) 12.664 13.069 ( -12.013 -10.321 20.540) 25.937 13.401 ( 1.854 -11.193 0.833) 11.376 13.533 ( -7.796 3.594 -4.686) 9.780 13.578 ( 2.407 -1.615 15.093) 15.369 13.760 ( 11.434 -0.493 3.791) 12.056 13.830 ( 1.766 6.165 -2.077) 6.741 13.945 ( 1.233 6.446 15.034) 16.404 13.971 ( 3.433 15.497 1.915) 15.988 14.104 ( 5.624 5.278 12.807) 14.950 14.269 ( 1.772 10.298 11.690) 15.680 14.316 ( 10.035 4.757 9.697) 14.743 14.566 ( 5.227 4.149 13.994) 15.504 14.588 ( 0.761 5.490 11.658) 12.908 14.761 ( -1.222 3.055 3.203) 4.592 15.047 ( 2.123 3.876 6.104) 7.536 15.067 ( -0.063 -5.330 -8.725) 10.224 15.175 ( 2.897 -2.100 8.413) 9.142 15.451 ( 1.510 8.403 6.291) 10.605 15.685 ( -5.412 1.440 -1.611) 5.827 15.950 ( -5.865 -3.272 0.377) 6.726 16.043 ( -2.201 14.726 10.640) 18.301 16.263 ( -10.387 -1.031 11.860) 15.799 16.475 ( -1.655 3.922 -6.257) 7.567 16.639 ( 1.152 -5.234 -6.340) 8.301 16.890 ( 14.778 -7.974 0.060) 16.792 16.933 ( -2.615 -4.345 -4.753) 6.950 17.033 ( 2.872 -1.817 3.998) 5.247 17.143 ( -5.971 0.192 -0.574) 6.001 17.274 ( -10.727 2.379 -1.474) 11.086 17.434 ( 6.435 3.916 -10.312) 12.771 17.578 ( -0.306 -10.718 -2.712) 11.060 17.641 ( 0.558 -0.100 -0.077) 0.572 17.755 ( 0.898 -3.528 -2.451) 4.388 17.894 ( 4.141 -15.348 -5.826) 16.931 18.084 ( -8.777 1.196 1.272) 8.949 18.232 ( -6.025 -0.415 -0.590) 6.068 18.275 ( -3.884 9.320 3.510) 10.690 18.376 ( 1.265 -1.444 5.694) 6.009 18.483 ( 0.179 4.603 2.675) 5.327 18.589 ( -0.721 -3.336 0.705) 3.485 18.654 ( -3.843 7.235 0.152) 8.194 18.768 ( 3.666 -5.678 3.234) 7.493 18.924 ( 5.260 8.253 2.270) 10.047 18.994 ( -8.170 2.651 10.729) 13.744 19.136 ( -1.220 -4.532 -1.068) 4.813 19.181 ( 1.485 -1.186 4.755) 5.121 19.321 ( 5.487 10.277 12.956) 17.423 19.573 ( 3.658 0.163 -3.222) 4.878 19.595 ( 0.674 0.435 -7.517) 7.559 19.645 ( 2.512 -3.508 -2.927) 5.214 19.836 ( -1.834 -11.286 -8.154) 14.044 20.022 ( -10.006 -7.052 -9.413) 15.442 20.138 ( 8.054 -0.196 9.113) 12.164 20.258 ( 2.583 3.656 -5.214) 6.872 20.265 ( -3.624 -0.977 6.062) 7.130 20.505 ( 0.869 2.184 0.327) 2.373 20.940 ( -2.782 0.147 -8.729) 9.163 21.126 ( -3.709 5.329 -6.104) 8.911 21.173 ( -6.329 -6.983 2.921) 9.867 21.237 ( 5.323 -1.144 -2.002) 5.801 21.392 ( -0.143 3.811 -5.434) 6.639 21.488 ( 8.330 -9.384 -0.667) 12.565 21.593 ( 1.563 1.434 2.757) 3.479 21.786 ( -2.115 2.883 -6.394) 7.326 21.845 ( -6.396 0.295 2.310) 6.807 22.004 ( -0.935 -0.204 0.753) 1.218 22.039 ( 5.678 -4.538 -9.235) 11.752 22.203 ( 5.846 8.379 -3.390) 10.764 22.387 ( -0.065 0.680 -3.080) 3.155 22.474 ( 0.499 -0.850 -2.101) 2.321 22.602 ( 1.135 -11.631 4.514) 12.528 22.637 ( 0.018 4.312 2.754) 5.116 22.702 ( 1.293 2.165 2.681) 3.681 22.884 ( -5.005 8.113 6.510) 11.544 23.175 ( 7.986 4.799 4.025) 10.149 23.285 ( 0.429 3.727 9.017) 9.767 23.338 ( 4.702 6.050 10.214) 12.768 23.573 ( -3.882 4.194 15.871) 16.868 23.660 ( -1.180 7.748 13.038) 15.213 23.779 ( -3.364 1.222 4.923) 6.086 23.913 ( 2.850 -1.238 1.876) 3.630 23.985 ( 2.533 3.073 4.145) 5.748 24.348 ( -2.269 -2.603 -2.927) 4.527 24.445 ( -0.241 -2.467 -0.566) 2.543 24.468 ( -1.815 -1.833 -2.268) 3.435 26.048 ( 7.437 12.112 14.430) 20.255 26.569 ( 0.319 0.590 -6.953) 6.985 26.611 ( 0.355 -5.218 -1.889) 5.561 27.103 ( 3.648 6.258 3.032) 7.853 27.418 ( 2.086 -6.770 -16.699) 18.140 27.998 ( 0.917 -0.777 -2.200) 2.507 28.041 ( -4.375 2.461 -3.164) 5.933 28.477 ( 9.724 -6.524 -20.020) 23.193 28.726 ( 0.824 5.672 -17.399) 18.318 28.967 ( -3.840 7.072 -17.859) 19.588 29.246 ( -4.790 -9.051 10.615) 14.749 29.511 ( -7.472 -12.718 16.916) 22.444 29.840 ( -0.722 2.755 7.479) 8.003 29.919 ( 4.044 2.588 4.708) 6.725 30.126 ( -3.121 1.426 12.246) 12.718 31.060 ( -6.364 -9.661 -4.812) 12.530 ======================= Grid point 12 (8/45) ======================= q-point: ( 0.33 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.709 ( 10.584 43.789 56.743) 72.452 5.786 ( 11.015 43.941 61.981) 76.771 8.226 ( 2.772 -44.827 -37.392) 58.441 8.465 ( 15.210 19.068 41.231) 47.906 8.633 ( 5.566 -12.151 -3.947) 13.936 9.357 ( -26.902 -4.409 -21.377) 34.643 9.594 ( -12.547 -21.657 -4.571) 25.443 10.063 ( -50.512 1.276 -14.717) 52.627 10.251 ( -40.712 -10.454 -3.252) 42.159 10.809 ( 18.016 -2.288 -12.177) 21.866 11.076 ( 13.655 -17.489 -7.445) 23.405 11.542 ( 24.333 5.023 -11.846) 27.526 11.653 ( 24.784 -2.299 -3.448) 25.128 11.866 ( 18.629 -30.366 -27.458) 44.979 12.123 ( -4.879 10.153 -5.223) 12.417 12.288 ( 3.398 5.896 -8.465) 10.861 12.351 ( 4.006 14.856 -17.841) 23.559 12.626 ( 4.511 7.707 -9.350) 12.929 12.783 ( 0.564 -8.462 -12.308) 14.947 13.062 ( 5.187 -3.027 -13.109) 14.419 13.237 ( -15.316 -11.688 17.187) 25.818 13.455 ( -5.772 2.217 -12.330) 13.793 13.698 ( 14.807 12.298 -20.532) 28.143 13.761 ( 0.948 -8.236 18.493) 20.266 13.853 ( 5.402 -0.316 -7.672) 9.388 14.019 ( 4.241 -3.436 0.382) 5.472 14.191 ( 1.458 18.156 -2.354) 18.366 14.313 ( -0.237 7.440 8.677) 11.432 14.439 ( 3.647 -3.958 14.993) 15.930 14.551 ( 7.470 2.293 11.194) 13.651 14.726 ( -0.523 10.797 4.319) 11.640 14.798 ( -0.669 6.592 3.830) 7.653 15.042 ( -3.005 13.217 15.686) 20.731 15.210 ( -2.622 7.282 6.797) 10.301 15.245 ( 2.289 4.985 11.190) 12.462 15.336 ( 0.167 2.701 14.129) 14.386 15.700 ( -6.290 12.429 4.180) 14.543 15.744 ( -5.019 6.806 1.369) 8.567 15.885 ( -10.059 -8.654 4.535) 14.023 16.269 ( -1.988 3.893 -4.317) 6.144 16.327 ( 0.780 0.802 -3.646) 3.813 16.344 ( -2.625 -6.119 2.838) 7.238 16.536 ( 1.347 -1.559 -6.235) 6.566 16.799 ( -3.761 -7.799 1.982) 8.882 16.847 ( 10.717 -6.631 3.669) 13.126 17.012 ( 8.160 -11.861 3.522) 14.821 17.078 ( -0.988 1.669 -9.262) 9.463 17.169 ( -3.012 -4.300 -4.660) 7.020 17.375 ( -0.457 -11.959 -3.733) 12.536 17.411 ( 0.543 -12.087 0.549) 12.112 17.635 ( -2.802 7.209 5.259) 9.352 17.720 ( -2.214 4.959 -0.360) 5.443 17.759 ( 1.798 -1.883 1.640) 3.077 18.084 ( -13.414 -1.865 -0.361) 13.548 18.174 ( -9.126 -5.516 -2.527) 10.959 18.331 ( 2.242 -2.499 -1.033) 3.512 18.414 ( -4.041 0.029 1.641) 4.362 18.534 ( -13.844 3.310 -2.401) 14.436 18.609 ( -2.030 -2.252 1.910) 3.584 18.664 ( -4.510 1.786 3.767) 6.141 18.929 ( 5.586 11.998 4.185) 13.880 19.044 ( 6.876 8.750 -0.185) 11.130 19.089 ( -0.608 2.012 3.497) 4.080 19.176 ( 2.608 0.640 3.960) 4.785 19.258 ( 1.791 3.418 4.629) 6.026 19.482 ( 9.442 3.662 -5.847) 11.694 19.501 ( 0.701 1.390 -7.420) 7.581 19.521 ( 1.395 -8.422 -4.094) 9.467 19.649 ( 1.620 -0.175 7.798) 7.967 19.695 ( -0.272 -0.367 -1.646) 1.708 19.880 ( -8.975 -2.147 3.147) 9.750 20.067 ( 1.665 -6.893 -5.816) 9.171 20.258 ( 4.390 -8.022 6.253) 11.078 20.322 ( 7.960 1.257 13.777) 15.961 20.707 ( -4.709 8.396 6.476) 11.602 20.828 ( -7.213 1.955 -11.395) 13.627 21.041 ( -2.652 -6.212 -9.278) 11.476 21.090 ( 0.556 -6.409 -3.678) 7.410 21.157 ( 3.448 -2.511 -3.870) 5.760 21.297 ( 0.038 -6.801 -2.138) 7.129 21.402 ( 5.272 5.618 -1.805) 7.912 21.660 ( 2.856 3.003 0.278) 4.154 21.679 ( 3.309 0.937 -9.660) 10.254 21.823 ( -5.137 0.297 -2.688) 5.805 21.903 ( 3.670 -1.955 -1.868) 4.558 22.036 ( 1.352 0.180 0.413) 1.425 22.229 ( 4.475 3.807 -3.591) 6.886 22.373 ( 0.407 -0.395 -4.390) 4.427 22.479 ( -2.465 0.097 3.354) 4.164 22.533 ( -0.516 -6.037 6.141) 8.627 22.715 ( 2.428 3.240 0.867) 4.140 22.791 ( 0.093 -0.096 3.794) 3.796 22.983 ( 2.556 10.288 -4.111) 11.370 23.350 ( -2.768 1.530 8.344) 8.923 23.503 ( -1.756 4.347 11.833) 12.728 23.577 ( 1.601 7.802 11.431) 13.932 23.753 ( -7.951 -1.829 7.445) 11.045 23.809 ( -6.274 -2.385 5.958) 8.975 23.893 ( 0.484 -3.833 2.614) 4.665 23.972 ( 0.411 8.096 9.023) 12.130 24.027 ( -1.241 -2.070 -0.299) 2.432 24.260 ( -2.616 -4.167 -2.325) 5.442 24.423 ( -0.199 -0.131 -1.724) 1.740 24.435 ( 0.824 -0.336 0.113) 0.897 26.375 ( 6.833 11.546 7.442) 15.342 26.500 ( 7.283 2.837 -5.513) 9.565 26.581 ( 3.222 -0.368 3.969) 5.126 27.042 ( 2.907 -8.075 -15.241) 17.491 27.274 ( 7.615 7.033 3.694) 11.004 27.895 ( -0.859 -5.781 -15.587) 16.646 28.016 ( 0.878 4.256 -4.902) 6.551 28.148 ( 8.563 -1.993 -10.708) 13.855 28.656 ( -1.805 15.331 -13.641) 20.600 28.821 ( -3.280 10.898 -21.684) 24.489 29.287 ( -3.675 -10.858 14.990) 18.871 29.526 ( -6.536 -18.448 16.415) 25.544 29.967 ( -1.983 1.907 4.592) 5.354 30.010 ( 1.326 -2.426 8.845) 9.267 30.331 ( -4.748 3.377 13.220) 14.447 30.830 ( -6.141 -12.202 -6.667) 15.200 ======================= Grid point 13 (9/45) ======================= q-point: ( 0.44 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.003 ( 6.111 -31.137 -24.626) 40.166 7.020 ( 6.691 24.120 32.590) 41.093 7.221 ( 2.581 -18.171 -3.055) 18.606 7.236 ( 3.603 1.877 18.888) 19.320 9.108 ( -27.830 8.502 -8.649) 30.358 9.351 ( -13.277 -9.182 9.094) 18.528 9.971 ( -51.546 7.417 -8.701) 52.799 10.122 ( -40.247 -1.639 5.715) 40.683 10.493 ( 21.564 18.313 27.402) 39.386 10.521 ( 21.838 -33.559 -21.051) 45.236 10.732 ( 18.060 4.497 -2.789) 18.819 10.901 ( 15.200 -6.576 9.518) 19.102 11.493 ( 27.790 8.651 -9.088) 30.491 11.615 ( 28.144 -0.115 0.327) 28.146 12.190 ( 2.685 7.593 -10.808) 13.479 12.259 ( -2.885 13.630 -6.548) 15.394 12.368 ( -1.664 5.799 -3.907) 7.188 12.611 ( -2.159 -2.764 2.985) 4.606 12.675 ( -0.067 19.655 -16.930) 25.941 12.920 ( 7.773 2.511 -6.273) 10.300 13.261 ( -3.042 0.043 -10.846) 11.265 13.334 ( -6.101 -4.247 5.094) 9.011 13.549 ( 5.820 9.015 -16.940) 20.052 13.805 ( 4.092 8.078 -8.831) 12.648 13.906 ( 4.256 -2.538 13.986) 14.838 14.035 ( 9.272 -6.774 7.784) 13.872 14.343 ( 7.024 6.859 -3.404) 10.391 14.447 ( -5.746 6.618 -0.902) 8.811 14.514 ( 2.980 -10.534 9.742) 14.654 14.650 ( 5.801 -6.395 7.703) 11.571 14.794 ( -5.663 3.687 -9.979) 12.052 14.931 ( -2.577 3.374 4.256) 6.012 15.263 ( -5.102 2.096 -7.117) 9.005 15.321 ( -4.933 2.916 4.378) 7.211 15.382 ( 1.953 -4.593 3.789) 6.267 15.501 ( -2.324 -9.158 5.258) 10.813 15.722 ( -13.997 -0.867 -9.987) 17.216 15.806 ( -5.549 -4.343 1.620) 7.230 16.005 ( -1.798 14.336 5.855) 15.590 16.151 ( 1.740 6.912 -15.860) 17.388 16.287 ( 2.067 -3.556 1.030) 4.240 16.372 ( 13.420 5.106 -5.704) 15.450 16.442 ( -4.349 -7.431 10.598) 13.655 16.670 ( -2.905 -9.415 -0.461) 9.863 16.784 ( 8.904 -7.090 -0.003) 11.382 16.900 ( -1.191 -6.006 7.111) 9.384 17.042 ( 1.732 0.906 1.447) 2.432 17.136 ( -2.985 -4.938 13.353) 14.546 17.260 ( 1.927 -1.152 -0.441) 2.288 17.378 ( 1.947 -7.839 8.704) 11.875 17.686 ( -4.817 1.705 -1.212) 5.251 17.765 ( -0.641 -2.310 4.361) 4.977 17.901 ( -5.496 8.987 3.480) 11.095 17.946 ( -6.679 -6.195 -4.153) 10.012 18.206 ( -7.028 3.537 3.388) 8.567 18.223 ( -4.352 -6.213 -5.036) 9.105 18.415 ( -11.003 2.928 -4.221) 12.143 18.524 ( -10.286 -2.941 3.740) 11.333 18.621 ( -1.954 2.457 -4.627) 5.592 18.712 ( -5.430 -0.914 1.820) 5.800 19.052 ( 7.721 4.617 -3.463) 9.640 19.097 ( 7.808 -2.880 -1.742) 8.503 19.151 ( 1.857 6.942 -3.379) 7.941 19.279 ( 2.411 4.535 4.460) 6.803 19.334 ( 2.917 -3.516 -6.435) 7.892 19.345 ( 4.250 5.931 0.257) 7.301 19.476 ( -2.054 2.746 3.848) 5.154 19.555 ( -2.543 -8.084 -0.104) 8.475 19.631 ( -1.602 9.851 0.493) 9.993 19.757 ( 4.549 4.750 1.800) 6.819 19.798 ( -2.106 -11.255 5.253) 12.598 19.963 ( 5.241 -11.200 5.745) 13.635 20.334 ( 1.059 0.757 -1.607) 2.068 20.405 ( 1.907 -10.707 -5.888) 12.367 20.729 ( -1.176 7.940 1.005) 8.090 20.806 ( -1.256 0.036 1.461) 1.927 20.905 ( 2.693 0.237 3.055) 4.080 20.936 ( -2.059 -4.605 1.100) 5.163 21.124 ( -0.910 3.621 -4.465) 5.820 21.243 ( 1.812 -2.167 3.240) 4.299 21.520 ( 4.428 9.302 0.488) 10.314 21.628 ( 5.872 0.809 -1.981) 6.249 21.677 ( -0.460 4.773 -5.684) 7.436 21.738 ( -3.484 -0.730 -4.767) 5.949 21.921 ( 6.377 -0.028 -2.756) 6.947 22.010 ( 7.318 -2.424 4.230) 8.793 22.217 ( 0.148 4.179 -5.416) 6.842 22.304 ( -3.202 -1.251 -1.707) 3.838 22.519 ( -3.355 -1.757 2.908) 4.775 22.570 ( -1.582 -2.359 5.005) 5.755 22.752 ( 2.567 1.879 -1.019) 3.340 22.782 ( 0.995 -2.162 -0.425) 2.417 23.113 ( -0.838 13.461 -3.709) 13.988 23.379 ( -0.190 -12.232 7.296) 14.244 23.624 ( -2.213 0.350 1.548) 2.723 23.725 ( -3.392 -9.399 3.699) 10.656 23.777 ( -6.801 -0.531 -1.123) 6.914 23.848 ( -4.745 -4.645 2.935) 7.259 23.892 ( -4.151 0.997 1.280) 4.456 23.952 ( -1.066 -3.128 4.080) 5.251 24.159 ( -1.198 -4.825 -4.018) 6.392 24.171 ( -1.364 3.408 6.067) 7.091 24.408 ( -1.013 1.008 -1.289) 1.924 24.436 ( 0.259 -0.479 1.260) 1.373 26.487 ( 7.685 4.006 -4.329) 9.687 26.528 ( 8.127 4.359 1.556) 9.353 26.709 ( 6.709 -8.980 -13.891) 17.849 26.750 ( 6.269 8.708 10.616) 15.094 27.497 ( 5.574 -7.290 -18.789) 20.910 27.549 ( 5.946 14.482 10.116) 18.639 28.023 ( -0.212 7.216 -7.179) 10.181 28.087 ( 3.830 2.840 -2.953) 5.609 28.667 ( -2.919 13.658 -21.336) 25.501 28.757 ( -2.651 20.522 -12.263) 24.053 29.348 ( -4.011 -12.627 16.686) 21.306 29.466 ( -5.131 -20.542 14.629) 25.735 29.994 ( -1.771 -2.571 0.800) 3.223 30.093 ( -0.657 -6.311 10.753) 12.486 30.556 ( -5.468 -12.889 -7.801) 16.028 30.578 ( -5.791 5.547 13.534) 15.731 ======================= Grid point 15 (10/45) ======================= q-point: (-0.44 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.703 ( 10.790 -56.347 -43.858) 72.215 5.786 ( 11.012 -61.832 -44.032) 76.703 8.244 ( 2.917 37.764 46.997) 60.360 8.442 ( 12.984 -35.195 -16.158) 40.846 8.670 ( 7.962 -5.537 8.569) 12.941 9.320 ( -27.589 23.070 4.351) 36.226 9.613 ( -13.548 5.023 20.407) 25.005 10.094 ( -48.886 15.695 -0.554) 51.346 10.211 ( -40.624 2.604 9.314) 41.759 10.852 ( 13.934 10.901 4.217) 18.188 11.008 ( 19.073 10.591 13.492) 25.651 11.519 ( 22.604 12.572 -5.713) 26.488 11.655 ( 24.062 3.939 2.774) 24.540 11.855 ( 17.129 25.560 25.923) 40.233 12.093 ( 6.135 6.045 -12.713) 15.356 12.378 ( -4.381 2.370 -1.777) 5.288 12.560 ( 0.205 21.439 10.086) 23.694 12.636 ( -1.089 14.092 -4.684) 14.890 12.725 ( -2.785 5.939 -2.988) 7.208 12.945 ( 4.650 6.846 -3.655) 9.047 13.168 ( 5.208 3.410 1.723) 6.459 13.296 ( 7.031 6.938 -14.163) 17.267 13.551 ( -9.585 3.236 3.560) 10.724 13.774 ( 6.439 6.082 -9.955) 13.325 13.992 ( 11.435 -6.281 1.919) 13.187 14.111 ( -1.907 1.755 10.200) 10.524 14.277 ( 5.548 -12.593 0.194) 13.762 14.397 ( -4.738 -10.059 -0.932) 11.158 14.434 ( 9.765 -5.134 -7.394) 13.281 14.575 ( 3.743 -15.526 1.568) 16.047 14.715 ( -6.305 4.312 -8.947) 11.764 14.892 ( -7.298 -9.978 -4.129) 13.034 15.072 ( -2.431 -17.748 -11.610) 21.347 15.131 ( -2.984 -6.122 -4.952) 8.421 15.240 ( 1.479 -8.161 -8.935) 12.191 15.366 ( 3.120 -14.924 -1.159) 15.290 15.565 ( -11.182 6.346 -11.281) 17.105 15.711 ( -6.727 -8.044 -8.181) 13.300 15.971 ( -0.617 -3.393 -2.156) 4.067 16.094 ( 3.544 -3.346 -4.272) 6.481 16.346 ( 3.943 6.371 -6.424) 9.869 16.444 ( 10.102 9.486 -0.570) 13.869 16.511 ( -5.303 -10.748 7.148) 13.955 16.655 ( -4.685 11.373 8.269) 14.821 16.872 ( 9.299 9.671 2.764) 13.698 16.948 ( -2.821 -7.811 13.283) 15.665 17.145 ( -1.428 5.590 3.195) 6.595 17.257 ( -0.577 2.297 5.063) 5.589 17.314 ( 1.233 2.336 5.945) 6.505 17.430 ( -1.321 -5.015 15.847) 16.674 17.682 ( -1.387 -3.866 -2.193) 4.657 17.769 ( -5.240 -7.719 -4.516) 10.365 17.812 ( -0.389 -1.898 5.624) 5.949 18.050 ( -6.395 3.958 1.386) 7.647 18.149 ( -7.110 4.056 3.566) 8.929 18.252 ( -4.901 5.032 -5.564) 8.961 18.407 ( -6.200 -1.819 1.523) 6.638 18.537 ( -2.707 -0.663 -7.771) 8.255 18.564 ( -3.005 1.780 2.869) 4.520 18.698 ( -4.760 -4.342 1.617) 6.643 18.969 ( 2.781 -1.438 -5.320) 6.173 19.041 ( 6.475 -0.311 -7.144) 9.647 19.126 ( -0.855 -7.755 -3.510) 8.555 19.185 ( 2.911 -3.157 -3.593) 5.599 19.331 ( -4.744 -12.354 0.059) 13.233 19.397 ( 2.599 7.973 0.558) 8.404 19.540 ( 2.183 5.292 4.207) 7.104 19.577 ( -0.579 2.799 5.556) 6.248 19.691 ( 0.725 -4.179 2.178) 4.768 19.749 ( 1.843 -12.945 -7.640) 15.144 19.840 ( -6.601 6.536 5.836) 10.970 20.028 ( 12.357 7.757 5.209) 15.493 20.173 ( 2.796 -1.248 -2.050) 3.685 20.218 ( 6.370 -3.583 1.476) 7.456 20.687 ( -4.990 -5.769 -9.342) 12.060 20.902 ( -2.155 7.601 -1.768) 8.096 21.023 ( -1.923 0.758 8.020) 8.282 21.089 ( -5.030 5.350 -0.466) 7.358 21.147 ( 3.428 7.896 7.896) 11.681 21.328 ( 1.484 0.066 9.130) 9.250 21.526 ( -1.569 -3.453 -2.932) 4.794 21.611 ( 3.556 6.430 -3.387) 8.091 21.709 ( 4.386 -1.252 -0.651) 4.607 21.771 ( 6.114 12.092 -0.427) 13.556 21.842 ( -1.895 -0.770 0.084) 2.047 22.073 ( 2.846 3.254 -0.088) 4.324 22.231 ( 2.536 6.706 -3.211) 7.856 22.278 ( -3.314 0.684 -2.250) 4.064 22.527 ( -1.206 -3.420 3.160) 4.810 22.554 ( 0.467 -5.989 1.927) 6.309 22.722 ( 2.377 -0.986 -4.063) 4.809 22.741 ( 2.590 -2.123 -2.049) 3.927 23.162 ( -5.913 -0.703 -5.042) 7.802 23.289 ( 2.778 -9.054 4.360) 10.426 23.499 ( -3.899 -11.515 -5.420) 13.311 23.604 ( 3.304 -9.910 -4.171) 11.248 23.696 ( -6.888 -4.901 -2.981) 8.964 23.762 ( -5.761 -5.234 -1.856) 8.002 23.859 ( 0.890 -1.742 -0.325) 1.983 23.972 ( 0.693 -7.851 -5.512) 9.618 24.058 ( -1.328 -2.074 3.209) 4.045 24.266 ( -2.616 1.493 3.782) 4.835 24.424 ( -0.625 1.639 0.963) 2.001 24.449 ( 0.117 -0.543 0.929) 1.082 26.395 ( 7.020 -10.400 -12.568) 17.760 26.499 ( 2.744 4.000 -1.121) 4.979 26.594 ( 6.507 -0.114 2.735) 7.060 27.051 ( 1.761 12.775 7.075) 14.709 27.218 ( 9.935 1.373 -9.212) 13.618 27.924 ( 1.116 12.964 6.752) 14.659 28.005 ( -1.785 4.701 -5.531) 7.475 28.154 ( 8.450 10.998 2.999) 14.190 28.605 ( -0.535 15.278 -14.434) 21.025 28.886 ( -4.472 21.779 -12.691) 25.601 29.338 ( -6.785 -17.565 11.484) 22.056 29.435 ( -1.903 -14.026 16.446) 21.699 29.931 ( -1.282 -6.567 -0.503) 6.710 30.114 ( -0.846 -9.524 7.806) 12.343 30.278 ( -4.271 -11.045 -8.178) 14.391 30.837 ( -6.358 5.880 12.316) 15.056 ======================= Grid point 16 (11/45) ======================= q-point: (-0.33 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.283 ( 18.494 -62.516 -43.618) 78.440 4.328 ( 20.537 -65.529 -41.377) 80.174 6.420 ( 33.630 -95.766 -62.668) 119.287 9.376 ( -0.293 36.625 43.281) 56.699 9.763 ( -23.872 37.054 24.642) 50.499 9.904 ( -15.949 35.783 31.567) 50.311 10.128 ( -16.707 17.987 28.014) 37.248 10.424 ( -39.610 22.527 10.785) 46.827 10.454 ( -37.174 8.608 14.818) 40.934 11.133 ( 9.428 19.664 4.493) 22.265 11.421 ( 19.527 15.881 16.231) 29.949 11.654 ( 12.476 14.581 -0.595) 19.200 11.781 ( 10.548 8.332 4.072) 14.045 11.992 ( 8.980 7.864 -12.832) 17.526 12.192 ( 5.871 12.036 -3.926) 13.955 12.408 ( -1.579 9.156 -5.181) 10.638 12.569 ( 2.970 10.506 -17.940) 21.001 12.661 ( 0.492 3.553 -8.254) 9.000 12.955 ( -5.385 -4.505 9.962) 12.187 13.102 ( 7.636 5.945 -7.528) 12.261 13.224 ( 5.504 -0.823 11.164) 12.474 13.381 ( 2.345 5.339 8.146) 10.018 13.596 ( 4.687 -8.254 2.273) 9.760 13.781 ( -0.830 12.182 -7.524) 14.343 13.885 ( 2.321 -7.707 -0.652) 8.075 13.969 ( -1.270 -14.379 -10.205) 17.678 14.065 ( 1.829 -15.029 -4.853) 15.899 14.151 ( -1.256 -8.777 -14.597) 17.079 14.214 ( 7.110 -20.265 -8.220) 22.996 14.353 ( 9.086 -10.402 -0.513) 13.821 14.504 ( 7.002 -8.482 -13.446) 17.371 14.630 ( 0.950 -22.607 -6.465) 23.532 14.813 ( -5.459 -6.163 -1.761) 8.419 15.044 ( 1.928 -5.603 -2.931) 6.611 15.140 ( -0.822 -7.794 -2.592) 8.255 15.204 ( -2.235 4.412 14.743) 15.550 15.503 ( 1.060 -5.200 1.107) 5.422 15.576 ( -12.776 13.199 -8.025) 20.046 15.879 ( 9.699 -2.948 -12.006) 15.713 16.008 ( -9.583 -7.710 4.885) 13.234 16.241 ( 1.346 -8.911 -7.005) 11.415 16.371 ( 17.787 11.820 -9.529) 23.386 16.669 ( -9.508 0.254 10.845) 14.424 16.920 ( -4.056 10.207 6.214) 12.619 17.007 ( 3.672 1.566 2.897) 4.933 17.040 ( -0.320 -5.450 12.044) 13.224 17.165 ( -5.294 -3.083 0.020) 6.126 17.286 ( -10.953 -7.902 -11.842) 17.962 17.442 ( 3.069 12.762 -0.848) 13.153 17.492 ( 6.414 10.038 4.080) 12.591 17.669 ( 1.247 -3.022 10.495) 10.992 17.754 ( 2.532 2.934 0.582) 3.919 17.906 ( -0.426 0.083 9.154) 9.164 18.087 ( -3.069 -0.859 0.045) 3.187 18.214 ( -1.372 -0.774 -1.947) 2.505 18.266 ( -10.605 2.434 -1.091) 10.936 18.409 ( -1.785 -5.187 1.861) 5.792 18.422 ( 4.322 4.499 -6.398) 8.936 18.578 ( -1.266 -5.151 -0.490) 5.327 18.681 ( -1.054 0.950 0.876) 1.667 18.854 ( 3.355 -13.261 -0.562) 13.690 18.912 ( -7.245 -1.244 -5.907) 9.430 18.967 ( -1.738 -7.369 -5.170) 9.168 19.162 ( 1.428 -4.923 3.339) 6.117 19.171 ( -2.095 2.518 3.095) 4.506 19.331 ( 4.065 -19.825 -11.608) 23.331 19.531 ( 4.138 6.996 0.297) 8.134 19.588 ( 4.763 3.184 0.269) 5.736 19.713 ( -2.389 4.121 3.056) 5.659 19.835 ( -0.887 10.001 10.413) 14.465 20.035 ( -9.702 3.624 6.109) 12.024 20.096 ( 8.859 -1.796 0.749) 9.070 20.167 ( -0.766 3.828 0.930) 4.013 20.352 ( 0.696 -4.648 -0.670) 4.747 20.478 ( 1.330 4.219 -2.055) 4.877 20.970 ( -2.373 8.083 -2.741) 8.859 21.079 ( 1.023 4.777 -4.312) 6.516 21.118 ( -3.007 -0.098 7.486) 8.068 21.321 ( -3.214 -2.901 2.698) 5.101 21.374 ( 1.609 4.764 -3.154) 5.936 21.555 ( 2.939 -2.173 4.267) 5.618 21.594 ( 4.899 0.417 -1.140) 5.047 21.732 ( -1.171 4.910 0.469) 5.070 21.838 ( -7.675 -0.361 -0.864) 7.732 21.963 ( 6.872 6.946 5.047) 10.998 22.120 ( 0.577 -4.805 0.089) 4.841 22.203 ( 0.433 11.527 -12.906) 17.310 22.339 ( 2.494 6.109 5.039) 8.303 22.484 ( -0.498 -2.388 2.373) 3.403 22.565 ( 4.154 -2.324 5.141) 7.006 22.623 ( 4.444 -1.720 -5.190) 7.046 22.677 ( 1.508 -1.997 -1.946) 3.170 22.977 ( -10.713 -12.445 -6.956) 17.833 23.225 ( 3.745 -5.469 -0.835) 6.681 23.287 ( -0.495 -8.492 -4.811) 9.772 23.353 ( 5.102 -11.551 -6.637) 14.266 23.535 ( -1.995 -13.540 -3.466) 14.118 23.639 ( -0.541 -11.249 -7.567) 13.568 23.741 ( 1.029 -2.075 -1.722) 2.886 23.904 ( 3.315 -1.222 0.328) 3.548 24.004 ( 0.938 -5.626 -2.321) 6.158 24.340 ( -1.543 3.202 2.432) 4.307 24.450 ( -0.412 -0.044 1.745) 1.794 24.477 ( -2.845 1.742 2.476) 4.154 26.050 ( 7.262 -14.671 -12.147) 20.384 26.555 ( 0.750 5.339 0.436) 5.409 26.652 ( -2.812 1.299 4.824) 5.732 27.066 ( 7.257 0.226 -6.845) 9.979 27.428 ( 1.002 16.161 7.153) 17.702 27.981 ( 1.770 2.377 -1.039) 3.140 28.050 ( -4.164 3.155 -1.171) 5.354 28.488 ( 8.623 19.115 6.885) 22.071 28.708 ( 1.027 18.129 -4.516) 18.712 28.998 ( -4.423 18.068 -10.202) 21.216 29.262 ( -6.965 -12.855 9.112) 17.228 29.462 ( -3.063 -13.506 13.941) 19.650 29.815 ( 0.832 -6.967 -2.073) 7.317 30.008 ( -1.374 -9.601 -4.993) 10.909 30.078 ( -0.869 -9.653 0.796) 9.725 31.062 ( -6.489 4.619 9.619) 12.489 ======================= Grid point 21 (12/45) ======================= q-point: ( 0.22 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.449 ( 28.163 28.385 59.312) 71.531 5.569 ( 27.902 27.988 65.099) 76.156 8.260 ( 43.965 43.913 86.264) 106.315 8.823 ( -14.256 -23.848 -30.575) 41.313 8.900 ( -25.212 -17.641 -34.168) 45.982 9.267 ( -27.401 -27.480 -26.382) 46.925 9.370 ( -27.934 -23.396 -27.082) 45.400 9.780 ( -17.150 -28.029 -7.612) 33.730 9.918 ( -32.315 -24.034 -1.775) 40.312 11.027 ( 10.263 8.308 -14.561) 19.657 11.464 ( 1.539 1.128 -11.202) 11.363 11.530 ( -0.863 15.443 -15.320) 21.770 11.673 ( 7.457 -3.158 -6.374) 10.306 12.059 ( 8.779 3.147 -7.423) 11.919 12.177 ( 11.942 25.012 -16.457) 32.235 12.282 ( 9.597 2.072 -9.658) 13.772 12.452 ( 10.426 -3.599 -9.438) 14.516 12.630 ( 12.647 7.770 -11.673) 18.883 12.872 ( 2.342 0.636 -10.888) 11.155 13.082 ( -11.871 5.470 -9.191) 15.979 13.279 ( 7.331 11.335 -18.083) 22.566 13.342 ( -12.916 -2.698 5.176) 14.174 13.554 ( -10.273 2.887 -12.221) 16.224 13.714 ( 9.240 8.318 -10.634) 16.360 13.951 ( 8.427 -9.308 -17.903) 21.867 14.051 ( 1.415 -3.871 5.201) 6.636 14.262 ( 9.816 -6.099 14.764) 18.749 14.323 ( 4.111 5.604 12.139) 13.988 14.478 ( 0.881 -0.926 11.960) 12.028 14.598 ( -0.690 7.233 6.626) 9.833 14.625 ( 6.728 3.251 13.798) 15.691 14.749 ( 4.660 3.800 5.170) 7.930 14.943 ( 5.467 0.638 12.377) 13.546 15.109 ( -3.053 0.041 4.075) 5.092 15.231 ( 1.085 5.486 14.068) 15.139 15.307 ( 3.894 2.853 12.397) 13.304 15.529 ( -0.424 -1.717 11.367) 11.504 15.587 ( -1.874 7.705 3.006) 8.480 15.930 ( -2.746 -7.369 5.570) 9.637 16.134 ( 1.441 8.500 2.058) 8.864 16.329 ( 3.405 2.976 -1.728) 4.841 16.460 ( -6.083 -13.867 10.570) 18.466 16.547 ( 5.437 8.291 -10.942) 14.766 16.749 ( -10.969 -2.174 -2.296) 11.415 17.009 ( -1.563 4.717 -10.478) 11.597 17.062 ( -2.011 -3.522 1.889) 4.475 17.105 ( -3.572 -2.958 -0.899) 4.724 17.253 ( 6.755 -4.118 4.242) 8.977 17.390 ( -3.964 -0.366 0.688) 4.040 17.503 ( -1.974 -1.855 3.810) 4.675 17.585 ( -4.209 -7.351 -1.036) 8.534 17.754 ( -1.623 -2.227 -0.957) 2.917 17.897 ( -7.051 -3.898 -0.686) 8.085 17.941 ( 3.255 -13.269 -2.480) 13.886 18.098 ( -7.882 -2.372 -3.525) 8.954 18.189 ( -12.619 1.365 -3.661) 13.210 18.429 ( 1.354 -3.357 4.463) 5.746 18.467 ( -6.794 -6.598 -1.996) 9.679 18.546 ( -2.777 1.031 4.137) 5.088 18.645 ( -1.410 -4.447 -0.001) 4.665 18.926 ( 7.564 4.422 4.821) 10.001 19.035 ( 8.124 7.514 0.140) 11.067 19.085 ( 3.248 2.410 9.666) 10.478 19.171 ( 2.337 2.185 3.406) 4.673 19.290 ( 1.404 -0.806 8.620) 8.771 19.457 ( -0.258 3.931 -9.385) 10.179 19.547 ( 2.967 -0.836 -6.004) 6.749 19.624 ( 5.526 1.342 -2.061) 6.048 19.667 ( 0.307 -3.148 3.333) 4.595 19.705 ( -3.399 1.128 6.173) 7.136 19.819 ( -5.297 -7.510 -3.079) 9.692 20.143 ( -0.893 -0.904 -7.890) 7.991 20.277 ( -3.918 6.130 5.349) 9.029 20.449 ( -1.367 2.537 3.603) 4.614 20.493 ( 3.243 5.472 9.801) 11.684 20.819 ( 1.201 -5.894 -6.550) 8.893 21.021 ( 0.026 -0.350 -4.221) 4.235 21.082 ( -4.116 -1.485 -2.388) 4.985 21.271 ( -4.293 1.801 -7.569) 8.886 21.336 ( 6.109 -4.400 0.866) 7.578 21.569 ( 0.858 -9.050 -6.187) 10.996 21.581 ( -0.381 6.010 -6.218) 8.656 21.638 ( 1.244 4.408 0.389) 4.597 21.852 ( 3.933 -0.164 -3.554) 5.303 21.940 ( 4.523 6.239 -11.017) 13.445 21.988 ( -2.921 1.324 0.370) 3.228 22.209 ( 2.887 1.807 -2.007) 3.953 22.320 ( -4.359 2.809 0.654) 5.227 22.511 ( 2.392 -2.376 2.121) 3.983 22.657 ( -2.162 1.833 -1.164) 3.065 22.709 ( 3.317 3.259 1.611) 4.921 22.725 ( -1.081 -1.231 6.119) 6.334 22.983 ( 7.655 -1.437 -0.800) 7.830 23.325 ( 3.329 -0.171 9.869) 10.416 23.441 ( -2.570 0.405 14.498) 14.729 23.553 ( 4.226 1.733 9.624) 10.653 23.682 ( -4.551 -1.336 9.857) 10.939 23.736 ( -6.421 -1.329 8.066) 10.395 23.882 ( 0.865 4.845 5.356) 7.273 23.936 ( -0.743 -2.197 4.401) 4.975 24.051 ( -0.611 -3.004 2.843) 4.180 24.275 ( -3.695 -3.837 -1.394) 5.506 24.423 ( -1.095 -1.320 -2.023) 2.652 24.451 ( 0.181 -0.542 0.650) 0.865 26.351 ( 11.435 10.545 8.878) 17.910 26.527 ( 3.916 5.221 -3.838) 7.572 26.635 ( 4.273 1.099 2.401) 5.024 27.102 ( 1.416 2.862 -10.564) 11.036 27.291 ( 6.133 8.414 -7.388) 12.767 27.919 ( 2.291 -0.952 -9.186) 9.515 27.975 ( 1.482 3.832 -6.582) 7.759 28.294 ( 4.294 3.962 -21.543) 22.321 28.499 ( 4.516 6.655 -18.343) 20.029 28.695 ( 4.475 1.548 -20.601) 21.138 29.359 ( -8.776 -10.858 18.573) 23.235 29.582 ( -14.423 -9.857 15.700) 23.487 29.925 ( -1.438 -0.271 7.699) 7.837 30.110 ( 4.457 -5.500 12.668) 14.512 30.223 ( -7.419 -0.034 12.264) 14.334 30.876 ( -10.912 -11.306 -4.547) 16.357 ======================= Grid point 22 (13/45) ======================= q-point: ( 0.33 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.645 ( 15.424 32.750 53.164) 64.319 6.837 ( 17.284 29.459 60.713) 69.661 7.801 ( 6.754 -46.335 -30.815) 56.054 8.064 ( 3.610 -53.106 -30.289) 61.243 8.555 ( -35.812 0.443 -21.563) 41.805 9.070 ( -58.756 9.876 -17.175) 62.006 9.352 ( -15.194 -20.547 9.839) 27.383 9.667 ( -36.060 -12.127 6.458) 38.589 10.233 ( 36.940 46.667 73.314) 94.431 10.969 ( 22.113 5.337 -6.853) 23.758 11.241 ( 19.345 -8.497 -4.351) 21.572 11.563 ( 4.801 12.103 -12.152) 17.811 11.705 ( -2.038 17.143 -9.099) 19.514 11.790 ( 30.756 -46.844 -33.247) 65.158 12.005 ( 3.815 3.529 -5.604) 7.643 12.226 ( 1.357 1.625 -8.874) 9.123 12.299 ( 9.674 10.582 -10.560) 17.807 12.513 ( 5.668 10.049 -19.076) 22.294 12.677 ( 12.713 0.419 -11.860) 17.392 13.033 ( 8.940 1.570 -10.390) 13.797 13.076 ( -11.122 14.552 -15.056) 23.709 13.402 ( 2.769 -2.705 4.450) 5.898 13.486 ( -13.881 18.099 -23.233) 32.558 13.616 ( -0.085 16.029 -19.402) 25.167 13.685 ( 3.310 12.365 -13.525) 18.622 14.052 ( -9.486 -5.554 6.079) 12.561 14.380 ( 12.319 -3.791 10.308) 16.504 14.560 ( 9.555 -2.943 12.843) 16.276 14.632 ( -0.175 -1.018 8.251) 8.315 14.747 ( 4.544 -5.094 5.073) 8.505 14.823 ( -2.036 5.346 6.715) 8.821 14.844 ( 4.395 -1.277 6.799) 8.196 15.144 ( -5.805 1.914 -3.225) 6.911 15.195 ( -0.205 9.622 11.613) 15.083 15.456 ( -2.934 0.091 7.102) 7.685 15.502 ( 1.309 -0.036 9.910) 9.996 15.583 ( -0.290 -0.766 1.883) 2.053 15.792 ( -3.720 7.631 4.573) 9.643 15.916 ( -5.078 -12.953 10.049) 17.162 16.108 ( 3.283 4.760 -13.119) 14.337 16.322 ( 4.350 7.272 -3.496) 9.167 16.385 ( 3.826 -1.425 -4.317) 5.942 16.592 ( -0.548 -6.355 12.632) 14.151 16.725 ( -15.016 -14.362 10.959) 23.492 16.912 ( -1.143 -0.478 -2.585) 2.867 16.986 ( -2.251 -6.675 -7.801) 10.511 17.108 ( 6.514 -0.233 2.863) 7.120 17.219 ( 1.252 -7.741 6.175) 9.981 17.351 ( 2.352 -4.211 -1.235) 4.979 17.459 ( 1.553 -6.349 4.693) 8.047 17.587 ( -7.305 -0.187 3.482) 8.095 17.738 ( -3.297 2.144 3.858) 5.509 17.815 ( -1.222 -4.584 1.056) 4.861 17.878 ( -12.196 -4.976 1.188) 13.225 18.040 ( -9.867 -0.593 4.008) 10.667 18.154 ( -12.174 6.282 -9.243) 16.526 18.271 ( -9.957 -11.076 -4.375) 15.523 18.460 ( -1.951 -3.703 6.908) 8.077 18.599 ( -2.420 -3.246 0.361) 4.065 18.624 ( -6.118 1.879 1.143) 6.501 19.071 ( 8.212 8.085 0.902) 11.559 19.124 ( 7.790 6.525 -2.183) 10.393 19.202 ( 7.252 2.430 3.000) 8.215 19.246 ( -0.699 2.293 1.260) 2.708 19.342 ( 4.436 0.104 -3.017) 5.366 19.405 ( 0.452 2.049 -7.532) 7.819 19.490 ( 2.173 -2.791 2.943) 4.601 19.514 ( 4.866 8.635 -4.116) 10.732 19.639 ( 1.022 -2.484 -3.539) 4.443 19.778 ( 0.049 -3.736 7.975) 8.807 19.892 ( -5.173 -4.479 7.676) 10.283 19.975 ( -8.132 -6.664 -0.237) 10.516 20.383 ( -1.123 -1.550 2.639) 3.260 20.574 ( -1.824 9.803 -3.482) 10.561 20.606 ( 7.271 -6.826 1.406) 10.072 20.739 ( -0.008 3.040 5.827) 6.572 20.936 ( -1.528 -2.598 -2.153) 3.704 21.049 ( -1.853 2.742 -3.182) 4.591 21.155 ( 5.395 -12.834 -5.227) 14.871 21.239 ( -0.148 3.576 -2.045) 4.122 21.520 ( 4.476 1.609 6.560) 8.103 21.592 ( 2.798 7.718 -6.606) 10.537 21.683 ( 8.086 6.464 -8.834) 13.609 21.725 ( 2.636 0.516 -9.128) 9.515 21.957 ( 2.374 4.064 3.147) 5.662 22.047 ( -0.446 1.714 0.358) 1.807 22.147 ( -2.804 2.110 -9.095) 9.748 22.403 ( 3.931 -3.233 4.455) 6.764 22.510 ( -1.175 -1.382 4.078) 4.464 22.590 ( 0.365 -5.975 1.723) 6.230 22.753 ( 1.209 1.686 0.022) 2.075 22.793 ( -4.455 -1.507 2.671) 5.408 22.955 ( 2.371 8.365 -6.750) 11.007 23.455 ( 0.493 -1.983 9.217) 9.441 23.625 ( -2.946 -2.211 8.479) 9.244 23.685 ( -6.941 -2.190 5.663) 9.222 23.740 ( -6.318 -3.381 9.997) 12.300 23.826 ( -2.865 -1.826 4.338) 5.510 23.860 ( -6.463 -6.688 4.264) 10.231 23.995 ( -3.292 -6.182 0.038) 7.004 24.098 ( -0.659 3.824 8.617) 9.450 24.202 ( -1.875 -4.510 -1.242) 5.040 24.375 ( -2.492 -0.349 -2.887) 3.830 24.446 ( -0.779 -1.363 0.860) 1.790 26.539 ( 10.174 9.953 -2.561) 14.461 26.574 ( 12.891 7.218 -1.708) 14.873 26.756 ( 7.611 6.446 4.533) 10.955 26.910 ( 6.917 -3.140 -12.865) 14.940 27.437 ( 10.033 15.942 2.492) 19.000 27.699 ( 8.204 -4.875 -18.103) 20.465 27.912 ( 0.258 8.437 -13.668) 16.064 28.121 ( 7.720 3.928 -8.384) 12.055 28.412 ( 0.493 14.763 -16.514) 22.156 28.508 ( 0.271 11.907 -19.575) 22.914 29.459 ( -8.145 -14.066 20.225) 25.947 29.606 ( -13.103 -16.943 14.894) 26.088 29.998 ( -3.326 -3.218 5.878) 7.481 30.201 ( 1.413 -8.825 14.376) 16.928 30.415 ( -10.128 2.092 13.763) 17.215 30.635 ( -10.474 -14.217 -4.763) 18.290 ======================= Grid point 23 (14/45) ======================= q-point: (-0.56 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.639 ( 15.884 -52.625 -32.324) 63.769 6.837 ( 17.420 -61.306 -29.767) 70.342 7.798 ( 5.048 33.188 46.468) 57.325 8.097 ( 6.864 27.917 56.843) 63.699 8.526 ( -38.818 21.364 -4.649) 44.552 9.071 ( -57.133 17.040 -9.322) 60.345 9.363 ( -15.710 -9.492 20.116) 27.231 9.663 ( -37.217 -5.772 12.750) 39.761 10.235 ( 37.725 -74.488 -47.646) 96.134 10.981 ( 20.577 6.804 -4.923) 22.225 11.214 ( 24.055 5.263 8.131) 25.932 11.507 ( 5.065 11.750 -9.621) 16.009 11.678 ( 7.068 20.397 3.040) 21.800 11.835 ( 15.061 11.676 15.623) 24.642 12.185 ( 1.608 25.100 9.084) 26.742 12.201 ( 15.078 8.606 -10.272) 20.172 12.294 ( 1.308 8.913 9.307) 12.953 12.472 ( 4.295 13.252 -11.954) 18.357 12.608 ( 2.435 11.846 -11.877) 16.951 12.952 ( 10.940 9.665 -15.608) 21.370 13.132 ( 5.613 17.330 -8.499) 20.101 13.368 ( 11.161 3.411 -10.469) 15.678 13.421 ( -12.527 -3.074 3.605) 13.393 13.697 ( 0.745 17.268 -13.318) 21.819 13.734 ( -13.828 30.884 -17.190) 37.954 14.070 ( -11.503 -4.247 5.709) 13.525 14.415 ( 12.266 -5.655 2.898) 13.814 14.581 ( 8.753 -10.890 5.825) 15.137 14.616 ( -2.336 -9.512 -5.451) 11.209 14.678 ( 4.973 -10.969 5.893) 13.408 14.783 ( 2.344 -9.149 3.886) 10.213 14.929 ( -1.329 -3.501 -3.285) 4.981 15.102 ( -1.298 1.104 -3.383) 3.788 15.274 ( -6.259 -12.267 -10.684) 17.430 15.386 ( 1.265 -6.096 0.982) 6.303 15.538 ( -2.686 -7.639 -1.076) 8.169 15.569 ( 6.706 -3.031 4.957) 8.873 15.724 ( -4.637 -9.596 -3.118) 11.104 16.012 ( -4.441 0.092 -1.076) 4.570 16.079 ( 1.650 6.077 2.215) 6.675 16.303 ( 3.550 1.129 -3.387) 5.035 16.428 ( 4.387 12.150 -4.425) 13.655 16.610 ( 4.376 -4.591 3.977) 7.486 16.635 ( -11.895 -23.008 14.873) 29.868 16.880 ( 5.051 5.340 0.536) 7.370 16.964 ( -6.556 -3.956 9.688) 12.349 17.130 ( 4.517 -0.073 0.994) 4.626 17.256 ( -0.128 -3.262 3.506) 4.791 17.310 ( 0.154 1.582 6.830) 7.012 17.486 ( -1.490 -7.215 6.924) 10.110 17.638 ( -4.255 1.150 3.764) 5.796 17.747 ( -10.155 -5.382 -4.318) 12.278 17.798 ( -3.603 0.002 6.175) 7.149 17.922 ( -7.525 3.866 6.872) 10.899 18.028 ( -9.764 2.753 -7.800) 12.797 18.073 ( -7.095 -6.761 0.319) 9.806 18.293 ( -10.793 6.873 9.181) 15.749 18.512 ( 0.844 -0.868 3.929) 4.111 18.530 ( -4.834 -5.179 -0.985) 7.153 18.639 ( -6.151 -1.284 1.144) 6.387 19.077 ( 8.025 -0.272 -8.046) 11.367 19.144 ( 5.110 -0.129 -5.339) 7.392 19.179 ( 5.739 1.972 -0.866) 6.129 19.270 ( 2.815 -2.127 -7.663) 8.436 19.352 ( 3.252 5.716 0.871) 6.633 19.421 ( -2.857 9.125 0.824) 9.598 19.469 ( 5.212 -4.017 -4.117) 7.763 19.527 ( 1.471 -0.335 -0.249) 1.529 19.649 ( -1.265 4.561 2.471) 5.339 19.823 ( -1.657 -4.086 6.006) 7.451 19.829 ( -6.171 -12.400 4.951) 14.709 20.025 ( -6.144 5.040 2.446) 8.315 20.311 ( 6.017 -4.662 -1.594) 7.777 20.440 ( 9.747 -5.719 -0.440) 11.309 20.705 ( -1.364 -4.769 -3.945) 6.338 20.783 ( -2.706 3.816 -0.302) 4.688 20.952 ( -0.624 5.219 1.005) 5.351 21.014 ( -1.382 -1.862 2.035) 3.085 21.097 ( 3.639 4.218 5.442) 7.788 21.322 ( -1.669 4.327 4.098) 6.189 21.562 ( 1.674 -2.234 -8.249) 8.709 21.602 ( 0.192 3.272 -5.228) 6.171 21.635 ( 8.528 4.799 -4.345) 10.707 21.714 ( 6.965 13.551 0.480) 15.244 21.982 ( 6.060 -3.546 -3.704) 7.938 22.034 ( -1.040 0.907 -7.846) 7.966 22.130 ( -4.712 7.218 2.794) 9.061 22.355 ( 6.617 -7.953 2.674) 10.686 22.545 ( -2.756 -3.041 4.944) 6.426 22.590 ( 0.712 0.905 1.146) 1.625 22.755 ( 0.947 -0.212 -1.326) 1.643 22.782 ( -2.226 -2.673 0.626) 3.534 23.002 ( -3.397 9.198 -6.483) 11.754 23.490 ( 0.806 -9.507 4.467) 10.535 23.592 ( -5.731 -11.531 0.815) 12.902 23.642 ( -3.176 -3.542 2.219) 5.249 23.766 ( -5.456 -8.484 5.190) 11.344 23.801 ( -0.846 -10.132 -0.174) 10.168 23.856 ( -4.994 -1.344 4.480) 6.842 24.010 ( -5.112 -0.616 7.154) 8.815 24.089 ( -0.639 -7.335 -2.932) 7.925 24.216 ( -2.423 0.673 3.733) 4.501 24.373 ( -2.519 2.891 0.438) 3.860 24.449 ( -1.203 -0.677 1.480) 2.025 26.527 ( 10.339 3.898 -8.270) 13.801 26.620 ( 9.739 -2.106 -10.636) 14.574 26.714 ( 10.703 1.617 -2.967) 11.224 26.937 ( 4.724 9.814 2.212) 11.114 27.383 ( 14.229 -1.271 -15.027) 20.733 27.763 ( 6.787 17.287 5.985) 19.512 27.880 ( -0.630 12.543 -11.153) 16.797 28.123 ( 7.362 8.306 -3.908) 11.767 28.396 ( 2.671 15.517 -14.203) 21.205 28.528 ( -1.744 21.149 -12.616) 24.688 29.480 ( -10.085 -19.584 13.973) 26.086 29.575 ( -9.932 -16.180 16.664) 25.262 29.994 ( -3.365 -6.851 3.790) 8.522 30.247 ( -0.184 -11.361 12.046) 16.559 30.369 ( -8.697 -14.681 -4.703) 17.700 30.647 ( -11.329 3.966 13.486) 18.054 ======================= Grid point 31 (15/45) ======================= q-point: ( 0.33 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.465 ( -1.398 -1.398 1.398) 2.422 7.573 ( -10.249 -17.671 -19.439) 28.199 7.573 ( 4.595 12.017 25.093) 28.199 8.016 ( -17.046 -25.888 -18.324) 36.008 8.016 ( 0.639 9.482 34.731) 36.008 8.059 ( -9.137 -9.137 9.137) 15.826 9.372 ( -20.149 -22.136 12.203) 32.325 9.372 ( -16.176 -14.190 24.122) 32.325 11.119 ( 11.502 11.502 -11.502) 19.922 11.396 ( 8.470 8.470 -8.470) 14.670 11.418 ( 9.751 9.276 -11.653) 17.802 11.418 ( 10.702 11.178 -8.801) 17.802 11.792 ( 5.057 5.057 -5.057) 8.758 11.882 ( -4.944 -12.753 -26.293) 29.638 11.882 ( 10.674 18.484 20.563) 29.638 12.070 ( 2.076 -0.425 -12.083) 12.267 12.070 ( 7.079 9.581 2.927) 12.267 12.431 ( 4.680 3.463 -9.549) 11.184 12.431 ( 7.114 8.332 -2.246) 11.184 12.781 ( 17.403 17.403 -17.403) 30.143 13.137 ( 9.316 6.984 -18.645) 21.982 13.137 ( 13.981 16.313 -4.651) 21.982 13.517 ( 1.499 1.326 -2.189) 2.966 13.517 ( 1.844 2.017 -1.154) 2.966 13.582 ( 20.623 20.623 -20.623) 35.720 14.024 ( -8.553 -8.553 8.553) 14.813 14.600 ( -3.248 -4.796 -2.942) 6.497 14.600 ( -0.153 1.395 6.343) 6.497 14.743 ( -4.438 -4.438 4.438) 7.688 14.893 ( -3.051 -3.796 0.068) 4.870 14.893 ( -1.559 -0.814 4.542) 4.870 14.935 ( -1.552 -1.552 1.552) 2.687 15.011 ( 1.470 1.470 -1.470) 2.545 15.361 ( -2.127 -4.082 -5.694) 7.322 15.361 ( 1.784 3.739 6.038) 7.322 15.557 ( -6.645 -6.645 6.645) 11.510 15.705 ( 2.692 0.947 -9.674) 10.086 15.705 ( 6.183 7.929 0.799) 10.086 15.932 ( -13.440 -13.440 13.440) 23.278 16.130 ( 2.290 2.290 -2.290) 3.966 16.340 ( 4.271 3.939 -5.600) 8.069 16.340 ( 4.936 5.268 -3.607) 8.069 16.705 ( -25.671 -25.671 25.671) 44.463 16.767 ( -1.115 -3.541 -8.587) 9.355 16.767 ( 3.736 6.162 5.966) 9.355 16.945 ( -7.448 -7.448 7.448) 12.900 17.234 ( -0.377 -1.987 -6.060) 6.389 17.234 ( 2.841 4.451 3.596) 6.389 17.334 ( -3.524 -3.524 3.524) 6.103 17.578 ( -3.379 -4.867 -2.573) 6.459 17.578 ( -0.403 1.085 6.355) 6.459 17.727 ( -5.365 -6.328 1.515) 8.433 17.727 ( -3.440 -2.477 7.290) 8.433 17.785 ( 0.719 0.719 -0.719) 1.246 18.042 ( 0.709 0.709 -0.709) 1.228 18.063 ( -9.559 -11.300 2.595) 15.027 18.063 ( -6.077 -4.336 13.041) 15.027 18.550 ( -3.454 -4.087 0.922) 5.430 18.550 ( -2.188 -1.555 4.720) 5.430 18.578 ( -1.821 -1.821 1.821) 3.153 19.168 ( 2.360 2.360 -2.360) 4.087 19.187 ( 3.135 1.840 -8.316) 9.076 19.187 ( 5.726 7.021 -0.544) 9.076 19.300 ( 1.636 0.916 -4.514) 4.888 19.300 ( 3.075 3.795 -0.196) 4.888 19.357 ( 3.444 3.444 -3.444) 5.965 19.528 ( 4.629 3.886 -7.602) 9.712 19.528 ( 6.116 6.859 -3.142) 9.712 19.676 ( -2.333 -2.333 2.333) 4.041 19.861 ( -4.919 -5.603 2.182) 7.769 19.861 ( -3.550 -2.866 6.288) 7.769 19.897 ( -12.081 -12.081 12.081) 20.924 20.430 ( -0.024 -1.593 -6.253) 6.453 20.430 ( 3.115 4.684 3.163) 6.453 20.770 ( -0.181 -0.888 -2.645) 2.796 20.770 ( 1.232 1.938 1.594) 2.796 20.869 ( 2.374 2.374 -2.374) 4.112 21.103 ( -3.160 -4.638 -2.750) 6.250 21.103 ( -0.205 1.273 6.115) 6.250 21.213 ( 0.735 0.735 -0.735) 1.273 21.577 ( 6.609 6.609 -6.609) 11.446 21.628 ( 5.804 4.838 -9.667) 12.269 21.628 ( 7.735 8.701 -3.873) 12.269 21.719 ( 2.498 2.498 -2.498) 4.326 21.994 ( -0.584 -1.413 -2.732) 3.131 21.994 ( 1.074 1.903 2.242) 3.131 22.087 ( 1.696 1.696 -1.696) 2.937 22.519 ( -1.406 -2.354 -2.388) 3.636 22.519 ( 0.491 1.440 3.303) 3.636 22.584 ( -3.477 -3.477 3.477) 6.022 22.763 ( -2.702 -2.984 1.573) 4.322 22.763 ( -2.138 -1.855 3.266) 4.322 22.906 ( 5.816 5.816 -5.816) 10.074 23.571 ( -4.391 -5.475 0.053) 7.019 23.571 ( -2.222 -1.137 6.560) 7.019 23.721 ( -8.590 -8.590 8.590) 14.879 23.789 ( -6.189 -6.851 3.540) 9.888 23.789 ( -4.865 -4.203 7.513) 9.888 23.922 ( -5.765 -7.103 0.416) 9.158 23.922 ( -3.091 -1.754 8.440) 9.158 24.177 ( -2.148 -2.733 -0.190) 3.481 24.177 ( -0.979 -0.394 3.318) 3.481 24.311 ( -0.725 -0.725 0.725) 1.255 24.444 ( -1.713 -1.713 1.713) 2.966 26.594 ( 9.142 9.142 -9.142) 15.835 26.737 ( 6.499 4.975 -12.596) 15.021 26.737 ( 9.547 11.071 -3.451) 15.021 26.918 ( 3.600 3.600 -3.600) 6.236 27.639 ( 8.218 5.468 -19.216) 21.603 27.639 ( 13.717 16.467 -2.718) 21.603 27.676 ( 4.871 4.871 -4.871) 8.437 28.129 ( 7.067 7.067 -7.067) 12.241 28.326 ( 9.602 8.672 -13.319) 18.569 28.326 ( 11.460 12.390 -7.743) 18.569 29.582 ( -16.167 -17.105 12.416) 26.611 29.582 ( -14.292 -13.354 18.043) 26.611 30.019 ( -5.528 -5.528 5.528) 9.575 30.423 ( -9.909 -11.711 2.702) 15.577 30.423 ( -6.305 -4.504 13.513) 15.577 30.433 ( -7.764 -7.764 7.764) 13.448 ======================= Grid point 102 (16/45) ======================= q-point: ( 0.11 0.11 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( 45.290 45.290 45.290) 78.445 3.983 ( 45.290 45.290 45.290) 78.445 5.982 ( 70.780 70.780 70.780) 122.595 9.858 ( -25.343 -25.343 -25.343) 43.896 9.868 ( -25.752 -25.752 -25.752) 44.604 9.868 ( -25.752 -25.752 -25.752) 44.604 10.149 ( -28.299 -28.299 -28.299) 49.015 10.149 ( -28.299 -28.299 -28.299) 49.015 10.288 ( -27.077 -27.077 -27.077) 46.899 11.531 ( -5.772 -5.772 -5.772) 9.997 11.531 ( -5.772 -5.772 -5.772) 9.997 11.906 ( 4.204 4.204 4.204) 7.282 11.948 ( -4.540 -4.540 -4.540) 7.864 11.948 ( -4.540 -4.540 -4.540) 7.864 12.421 ( 2.060 2.060 2.060) 3.568 12.515 ( 0.000 0.000 0.000) 0.000 12.708 ( -2.565 -2.565 -2.565) 4.442 12.708 ( -2.565 -2.565 -2.565) 4.442 12.781 ( 8.170 8.170 8.170) 14.150 13.256 ( 1.166 1.166 1.166) 2.019 13.256 ( 1.166 1.166 1.166) 2.019 13.299 ( 10.084 10.084 10.084) 17.467 13.670 ( 11.919 11.919 11.919) 20.644 13.670 ( 11.919 11.919 11.919) 20.644 13.891 ( -2.397 -2.397 -2.397) 4.152 13.946 ( 2.815 2.815 2.815) 4.876 13.946 ( 2.815 2.815 2.815) 4.876 14.126 ( 7.975 7.975 7.975) 13.814 14.126 ( 7.975 7.975 7.975) 13.814 14.295 ( 9.684 9.684 9.684) 16.774 14.529 ( 9.113 9.113 9.113) 15.785 14.529 ( 9.113 9.113 9.113) 15.785 14.663 ( 3.254 3.254 3.254) 5.636 15.038 ( 3.106 3.106 3.106) 5.380 15.038 ( 3.106 3.106 3.106) 5.380 15.222 ( -0.877 -0.877 -0.877) 1.518 15.643 ( -3.764 -3.764 -3.764) 6.519 15.658 ( -6.542 -6.542 -6.542) 11.332 15.658 ( -6.542 -6.542 -6.542) 11.332 16.046 ( 5.686 5.686 5.686) 9.849 16.046 ( 5.686 5.686 5.686) 9.849 16.494 ( -5.816 -5.816 -5.816) 10.073 16.828 ( 4.869 4.869 4.869) 8.433 16.828 ( 4.869 4.869 4.869) 8.433 16.973 ( -7.128 -7.128 -7.128) 12.347 17.068 ( -0.022 -0.022 -0.022) 0.038 17.068 ( -0.022 -0.022 -0.022) 0.038 17.155 ( -5.905 -5.905 -5.905) 10.228 17.635 ( -3.862 -3.862 -3.862) 6.689 17.639 ( -1.158 -1.158 -1.158) 2.006 17.639 ( -1.158 -1.158 -1.158) 2.006 17.789 ( -6.851 -6.851 -6.851) 11.866 17.963 ( -0.732 -0.732 -0.732) 1.268 17.963 ( -0.732 -0.732 -0.732) 1.268 18.245 ( 2.428 2.428 2.428) 4.206 18.245 ( 2.428 2.428 2.428) 4.206 18.248 ( -4.460 -4.460 -4.460) 7.725 18.511 ( -2.831 -2.831 -2.831) 4.904 18.511 ( -2.831 -2.831 -2.831) 4.904 18.757 ( -0.940 -0.940 -0.940) 1.629 18.759 ( 5.805 5.805 5.805) 10.054 18.759 ( 5.805 5.805 5.805) 10.054 18.930 ( 4.182 4.182 4.182) 7.243 19.160 ( -2.485 -2.485 -2.485) 4.305 19.160 ( -2.485 -2.485 -2.485) 4.305 19.208 ( 14.180 14.180 14.180) 24.561 19.628 ( 0.330 0.330 0.330) 0.572 19.702 ( -2.442 -2.442 -2.442) 4.229 19.702 ( -2.442 -2.442 -2.442) 4.229 19.944 ( -6.812 -6.812 -6.812) 11.799 19.944 ( -6.812 -6.812 -6.812) 11.799 20.154 ( 1.762 1.762 1.762) 3.051 20.214 ( 4.119 4.119 4.119) 7.134 20.214 ( 4.119 4.119 4.119) 7.134 20.576 ( -6.115 -6.115 -6.115) 10.591 21.048 ( -3.898 -3.898 -3.898) 6.752 21.048 ( -3.898 -3.898 -3.898) 6.752 21.208 ( -0.108 -0.108 -0.108) 0.187 21.208 ( -0.108 -0.108 -0.108) 0.187 21.367 ( -1.785 -1.785 -1.785) 3.093 21.636 ( 4.912 4.912 4.912) 8.508 21.636 ( 4.912 4.912 4.912) 8.508 21.699 ( -0.750 -0.750 -0.750) 1.299 21.884 ( -3.888 -3.888 -3.888) 6.734 21.884 ( -3.888 -3.888 -3.888) 6.734 22.268 ( 5.080 5.080 5.080) 8.798 22.268 ( 5.080 5.080 5.080) 8.798 22.380 ( -7.159 -7.159 -7.159) 12.400 22.489 ( -3.483 -3.483 -3.483) 6.033 22.606 ( 3.266 3.266 3.266) 5.658 22.635 ( 0.119 0.119 0.119) 0.207 22.635 ( 0.119 0.119 0.119) 0.207 22.770 ( 6.521 6.521 6.521) 11.294 23.224 ( 2.662 2.662 2.662) 4.611 23.224 ( 2.662 2.662 2.662) 4.611 23.363 ( 7.280 7.280 7.280) 12.609 23.363 ( 7.280 7.280 7.280) 12.609 23.542 ( 6.467 6.467 6.467) 11.201 23.718 ( 1.260 1.260 1.260) 2.182 23.952 ( 2.332 2.332 2.332) 4.040 23.952 ( 2.332 2.332 2.332) 4.040 24.357 ( -4.062 -4.062 -4.062) 7.036 24.455 ( -1.288 -1.288 -1.288) 2.231 24.455 ( -1.288 -1.288 -1.288) 2.231 25.998 ( 12.892 12.892 12.892) 22.329 26.621 ( -1.972 -1.972 -1.972) 3.415 26.621 ( -1.972 -1.972 -1.972) 3.415 27.117 ( 5.712 5.712 5.712) 9.893 27.566 ( -7.313 -7.313 -7.313) 12.667 28.018 ( -0.329 -0.329 -0.329) 0.570 28.018 ( -0.329 -0.329 -0.329) 0.570 28.746 ( -3.939 -3.939 -3.939) 6.823 28.946 ( -4.733 -4.733 -4.733) 8.197 28.946 ( -4.733 -4.733 -4.733) 8.197 29.222 ( -2.281 -2.281 -2.281) 3.951 29.222 ( -2.281 -2.281 -2.281) 3.951 29.789 ( 3.173 3.173 3.173) 5.495 29.961 ( 3.007 3.007 3.007) 5.209 29.961 ( 3.007 3.007 3.007) 5.209 31.042 ( -7.176 -7.176 -7.176) 12.428 ======================= Grid point 103 (17/45) ======================= q-point: ( 0.22 0.11 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.260 ( 27.870 47.764 48.027) 73.244 5.271 ( 28.877 47.336 47.159) 72.791 7.964 ( 50.817 70.766 70.736) 112.222 8.831 ( 4.098 -38.120 -39.671) 55.170 9.061 ( -10.581 -38.854 -38.222) 55.520 9.322 ( -29.031 -20.434 -20.895) 41.194 9.392 ( -28.910 -21.248 -15.087) 38.921 9.624 ( -46.351 -4.538 -21.056) 51.112 9.702 ( -42.080 -20.418 -8.720) 47.578 11.221 ( 16.814 -8.673 -9.271) 21.069 11.472 ( 12.612 -10.150 -10.328) 19.203 11.669 ( 1.024 -2.731 0.022) 2.916 11.923 ( 2.841 -4.929 2.737) 6.314 12.071 ( -8.613 11.511 -2.659) 14.620 12.344 ( -6.465 -6.690 -2.868) 9.735 12.415 ( 21.078 -11.496 -5.142) 24.553 12.610 ( -0.841 4.305 -12.936) 13.659 12.743 ( -2.140 -0.316 9.474) 9.717 12.955 ( 13.279 -3.532 -1.749) 13.851 13.070 ( 8.858 -4.891 -10.980) 14.932 13.274 ( -4.092 -4.395 -2.624) 6.553 13.554 ( 16.529 -3.064 16.267) 23.392 13.594 ( 6.570 -10.183 -13.311) 18.001 13.959 ( 6.025 1.433 10.531) 12.218 14.003 ( 8.495 7.837 0.432) 11.566 14.095 ( -4.617 14.897 12.068) 19.719 14.153 ( -2.188 13.715 6.797) 15.462 14.235 ( 8.334 -1.376 -12.572) 15.146 14.380 ( 5.174 11.366 4.463) 13.262 14.470 ( -3.602 2.055 14.314) 14.903 14.708 ( 5.280 7.796 1.640) 9.557 14.727 ( 1.750 0.669 3.835) 4.268 14.852 ( 1.141 10.729 9.341) 14.271 15.083 ( 3.285 1.108 3.540) 4.955 15.171 ( 2.324 7.183 7.820) 10.870 15.224 ( 1.936 6.129 4.054) 7.599 15.491 ( -8.826 0.366 7.990) 11.911 15.596 ( -10.793 -4.964 5.356) 13.032 15.686 ( -10.356 8.941 -5.431) 14.721 16.145 ( 8.467 -0.052 7.574) 11.360 16.298 ( -2.800 11.046 4.025) 12.085 16.381 ( -1.120 -2.167 -2.376) 3.405 16.718 ( -2.635 -8.271 -11.983) 14.797 16.814 ( 10.875 -3.981 -0.210) 11.582 16.922 ( 3.328 -9.145 0.686) 9.756 17.066 ( 5.097 -1.381 1.539) 5.501 17.117 ( -2.242 4.397 0.711) 4.986 17.197 ( -11.814 11.286 0.372) 16.343 17.426 ( -1.667 -14.404 -8.773) 16.948 17.442 ( 2.711 -9.427 -8.755) 13.148 17.585 ( -3.737 -2.501 0.074) 4.497 17.681 ( -8.698 3.625 -3.293) 9.982 17.823 ( 3.372 -7.786 -4.880) 9.788 17.965 ( -8.805 1.451 -4.750) 10.109 18.110 ( -5.845 -5.297 -8.007) 11.239 18.215 ( -8.566 -10.234 7.882) 15.500 18.330 ( -16.131 7.702 -3.097) 18.142 18.416 ( 1.817 -2.939 -3.969) 5.262 18.515 ( -3.786 0.930 3.094) 4.977 18.662 ( 0.250 -3.006 -2.956) 4.224 18.957 ( 7.409 12.004 5.453) 15.124 18.982 ( 1.712 4.972 10.417) 11.669 19.091 ( 4.771 6.131 6.411) 10.072 19.180 ( 5.744 5.621 2.098) 8.306 19.218 ( 2.741 3.278 5.268) 6.783 19.553 ( 3.266 2.461 6.661) 7.816 19.570 ( 0.693 -2.461 -5.145) 5.745 19.603 ( 0.254 -2.592 -2.612) 3.689 19.658 ( 0.193 3.520 2.350) 4.237 19.711 ( -0.173 -6.396 -6.569) 9.170 19.797 ( -7.580 -4.178 -6.176) 10.633 20.231 ( 1.449 0.029 2.846) 3.194 20.283 ( 7.395 0.186 -11.837) 13.958 20.297 ( 10.436 -4.195 9.127) 14.485 20.518 ( -6.420 7.644 9.121) 13.522 20.901 ( -2.923 -1.556 -7.056) 7.794 20.988 ( -6.166 -3.987 -1.532) 7.501 21.145 ( 1.613 -2.755 -1.436) 3.500 21.225 ( -1.212 -2.128 -0.512) 2.502 21.344 ( -4.261 -1.140 -1.545) 4.674 21.518 ( 5.094 -5.113 -10.259) 12.543 21.741 ( -5.566 -2.288 -0.887) 6.083 21.758 ( 9.864 3.758 2.608) 10.873 21.787 ( 4.728 0.542 2.954) 5.601 21.928 ( -5.016 3.689 4.043) 7.424 22.110 ( 3.045 -6.833 -8.403) 11.251 22.287 ( 1.443 -2.007 -2.216) 3.320 22.411 ( 0.582 -8.070 10.455) 13.220 22.431 ( -1.035 5.321 -5.087) 7.434 22.552 ( 6.344 -0.284 -6.609) 9.166 22.707 ( 0.618 2.540 2.961) 3.949 22.721 ( -4.388 2.726 3.770) 6.395 23.032 ( 5.411 11.299 7.450) 14.575 23.260 ( 1.384 1.339 1.012) 2.176 23.332 ( -2.020 5.179 6.253) 8.367 23.525 ( 4.361 7.821 5.061) 10.286 23.574 ( -1.841 3.773 6.366) 7.625 23.630 ( -6.589 0.239 2.356) 7.002 23.850 ( 2.891 5.800 6.797) 9.391 23.929 ( 0.797 -1.974 -1.648) 2.692 24.003 ( -3.559 0.538 -0.640) 3.655 24.256 ( -3.202 -2.959 -3.044) 5.317 24.434 ( -0.888 -1.025 -0.723) 1.537 24.438 ( -0.407 0.075 -0.476) 0.631 26.366 ( 12.307 13.176 12.893) 22.166 26.594 ( 4.654 -1.017 2.322) 5.299 26.626 ( 3.593 4.164 0.253) 5.506 27.195 ( 2.773 -3.053 -2.406) 4.775 27.401 ( 8.020 -2.002 -1.522) 8.405 27.997 ( -0.225 -1.194 -3.463) 3.670 28.027 ( 0.156 0.207 2.225) 2.240 28.483 ( 9.332 -13.090 -13.118) 20.750 28.760 ( 0.998 -5.933 -1.933) 6.319 28.921 ( -10.058 1.930 -5.250) 11.509 29.138 ( -5.428 -0.784 -0.202) 5.488 29.246 ( -9.187 -1.593 1.306) 9.415 29.882 ( 1.989 2.223 4.509) 5.406 30.002 ( 1.289 4.529 -1.985) 5.110 30.103 ( -5.426 4.287 8.228) 10.749 30.824 ( -9.494 -8.667 -8.783) 15.569 ======================= Grid point 104 (18/45) ======================= q-point: ( 0.33 0.11 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.537 ( 18.795 44.779 45.185) 66.333 6.575 ( 13.199 47.766 47.759) 68.824 7.726 ( 11.173 -41.245 -42.345) 60.158 7.854 ( 1.115 -45.349 -45.146) 64.000 8.925 ( -28.587 -17.962 3.711) 33.965 8.937 ( -26.454 3.584 -17.530) 31.937 9.381 ( -48.971 0.308 -2.405) 49.031 9.418 ( -49.737 -5.881 -3.429) 50.200 10.046 ( 39.903 63.218 63.222) 97.907 11.078 ( 22.481 -0.464 -1.411) 22.530 11.175 ( 24.520 -9.092 -7.559) 27.222 11.641 ( 26.273 -36.559 -32.968) 55.801 11.789 ( 11.111 -5.870 -8.102) 14.951 11.876 ( 10.344 -6.340 -3.054) 12.511 12.197 ( -8.152 11.413 -4.640) 14.773 12.282 ( -5.952 -3.701 -1.618) 7.193 12.486 ( -3.984 2.030 -9.034) 10.080 12.517 ( -1.634 -18.586 1.334) 18.706 12.886 ( 7.348 2.457 8.523) 11.518 13.043 ( 11.210 -3.814 -6.744) 13.627 13.200 ( 6.491 9.661 -2.654) 11.938 13.348 ( -0.202 -11.422 -1.288) 11.497 13.742 ( 8.805 -1.980 14.532) 17.107 13.916 ( 1.302 -2.546 -11.118) 11.480 14.090 ( 12.335 0.553 4.157) 13.029 14.120 ( 14.945 6.975 -6.152) 17.602 14.371 ( -5.746 7.680 5.202) 10.911 14.409 ( 4.031 6.326 5.510) 9.307 14.503 ( -2.677 12.024 -8.547) 14.993 14.637 ( 1.014 -13.586 2.932) 13.936 14.734 ( -6.102 -0.866 17.763) 18.802 14.849 ( -1.813 7.851 -4.443) 9.202 15.139 ( -6.323 10.648 8.148) 14.824 15.255 ( -2.441 3.818 6.049) 7.558 15.303 ( -5.767 3.934 -0.233) 6.985 15.367 ( 2.593 0.815 4.516) 5.271 15.551 ( -8.772 -2.637 8.926) 12.790 15.660 ( -9.756 -2.043 -4.786) 11.057 15.879 ( -5.113 23.073 7.877) 24.911 16.204 ( 2.479 -8.981 5.125) 10.634 16.319 ( 3.704 1.623 -3.430) 5.303 16.409 ( -1.107 -10.179 -6.418) 12.084 16.527 ( 0.555 11.114 1.043) 11.176 16.702 ( 3.003 -4.719 -5.547) 7.878 16.854 ( 6.331 -10.754 7.701) 14.665 16.957 ( 7.787 -8.079 -7.011) 13.231 17.087 ( 1.489 -0.847 -7.517) 7.710 17.101 ( 1.110 -0.658 -6.572) 6.697 17.300 ( 0.421 -2.411 3.446) 4.227 17.331 ( 0.790 1.307 -1.809) 2.368 17.630 ( -9.366 6.145 -2.713) 11.526 17.681 ( -4.636 -6.783 2.148) 8.492 17.764 ( -7.692 4.715 1.614) 9.165 17.883 ( -11.151 -3.633 -6.074) 13.207 18.006 ( -10.710 3.868 2.987) 11.773 18.178 ( -14.741 -8.013 -1.585) 16.853 18.313 ( -5.083 -3.020 3.940) 7.104 18.374 ( -7.099 3.978 -8.200) 11.553 18.557 ( -5.028 1.019 4.162) 6.606 18.622 ( -5.322 -1.597 -0.975) 5.641 19.153 ( 8.981 3.854 6.269) 11.611 19.190 ( 3.298 8.010 4.914) 9.959 19.217 ( 6.001 0.602 2.914) 6.698 19.280 ( 5.309 5.494 -2.793) 8.134 19.350 ( 2.946 4.257 5.493) 7.548 19.426 ( 3.703 -1.779 -1.874) 4.516 19.493 ( 1.849 -4.292 -4.640) 6.585 19.552 ( 0.590 -9.242 -1.380) 9.363 19.614 ( -2.583 4.831 0.321) 5.487 19.713 ( -4.070 -1.340 -2.887) 5.167 19.822 ( -4.138 1.602 6.384) 7.775 19.985 ( -2.021 -5.268 -12.906) 14.086 20.365 ( 13.988 6.417 4.866) 16.141 20.424 ( 8.563 -3.143 10.015) 13.547 20.706 ( -2.901 4.453 5.146) 7.397 20.846 ( -1.691 8.275 -9.693) 12.857 20.879 ( -3.436 -7.341 0.061) 8.105 21.009 ( 4.888 -10.982 -5.911) 13.395 21.180 ( 1.043 -5.108 4.606) 6.956 21.229 ( 1.005 1.177 -8.327) 8.470 21.505 ( -2.852 8.868 1.338) 9.411 21.672 ( -2.486 -9.022 -1.833) 9.536 21.785 ( 7.068 1.560 2.411) 7.629 21.844 ( 8.551 1.419 -3.496) 9.346 21.975 ( 4.626 2.108 6.046) 7.899 22.075 ( 1.979 2.729 -2.829) 4.400 22.239 ( -0.982 -2.630 2.375) 3.677 22.319 ( 4.140 -8.162 -1.155) 9.225 22.476 ( -3.448 -0.026 1.873) 3.924 22.495 ( -0.180 3.876 -5.489) 6.722 22.760 ( -1.327 1.157 1.366) 2.228 22.773 ( -2.590 0.181 0.839) 2.729 23.199 ( 3.168 10.338 -2.495) 11.096 23.272 ( -0.765 -6.071 3.920) 7.267 23.527 ( -5.256 5.228 6.914) 10.137 23.612 ( -5.031 -0.259 -1.191) 5.176 23.681 ( -4.387 2.394 4.506) 6.730 23.705 ( -4.606 3.077 3.677) 6.649 23.844 ( -1.929 -0.330 -1.307) 2.353 23.934 ( -4.537 -4.363 -4.159) 7.544 24.061 ( -1.463 6.047 6.303) 8.856 24.186 ( -1.710 -2.424 -3.232) 4.387 24.406 ( -2.283 -0.996 -0.391) 2.521 24.418 ( -2.041 -0.807 -1.491) 2.653 26.629 ( 11.797 4.142 4.039) 13.139 26.687 ( 10.460 2.643 -0.107) 10.790 26.712 ( 11.500 7.703 10.194) 17.191 26.989 ( 6.975 -9.507 -10.137) 15.550 27.510 ( 11.617 7.395 10.250) 17.167 27.821 ( 5.777 -9.614 -12.701) 16.945 28.080 ( 1.053 1.741 3.403) 3.965 28.188 ( 5.820 -6.368 -6.716) 10.933 28.744 ( -3.461 -0.742 5.497) 6.538 28.843 ( -7.038 0.357 -8.091) 10.729 29.162 ( -7.467 3.335 0.354) 8.185 29.217 ( -8.114 -4.497 0.889) 9.320 29.964 ( -0.148 -0.263 5.237) 5.245 30.010 ( -0.636 2.935 -4.441) 5.361 30.313 ( -8.632 7.767 9.934) 15.282 30.570 ( -9.829 -9.265 -9.940) 16.771 ======================= Grid point 109 (19/45) ======================= q-point: (-0.11 0.11 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 84.011 -0.000 -0.000) 84.011 2.332 ( 84.086 -0.000 -0.000) 84.086 3.522 ( 127.134 -0.000 -0.000) 127.134 10.819 ( -32.168 0.000 0.000) 32.168 10.866 ( -27.685 0.000 0.000) 27.685 10.925 ( -38.666 0.000 0.000) 38.666 11.084 ( -27.707 0.000 0.000) 27.707 11.218 ( -14.678 0.000 0.000) 14.678 11.402 ( -32.938 0.000 0.000) 32.938 11.488 ( -24.594 0.000 0.000) 24.594 11.709 ( -27.123 0.000 0.000) 27.123 11.767 ( -13.299 0.000 0.000) 13.299 11.951 ( -31.432 0.000 0.000) 31.432 12.113 ( -2.463 0.000 0.000) 2.463 12.136 ( -10.864 0.000 0.000) 10.864 12.244 ( -17.247 0.000 0.000) 17.247 12.411 ( -8.706 0.000 0.000) 8.706 12.497 ( -18.128 0.000 0.000) 18.128 12.772 ( 11.781 -0.000 -0.000) 11.781 13.123 ( 31.239 -0.000 -0.000) 31.239 13.237 ( 28.582 -0.000 -0.000) 28.582 13.351 ( 17.665 -0.000 -0.000) 17.665 13.368 ( 26.160 -0.000 -0.000) 26.160 13.369 ( 21.361 -0.000 -0.000) 21.361 13.588 ( 20.339 -0.000 -0.000) 20.339 13.603 ( 20.269 -0.000 -0.000) 20.269 13.694 ( 30.702 -0.000 -0.000) 30.702 13.941 ( -12.498 0.000 0.000) 12.498 14.021 ( -23.119 0.000 0.000) 23.119 14.083 ( 3.442 -0.000 -0.000) 3.442 14.162 ( 4.724 -0.000 -0.000) 4.724 14.535 ( -6.046 0.000 0.000) 6.046 14.593 ( 4.324 -0.000 -0.000) 4.324 14.903 ( 4.376 -0.000 -0.000) 4.376 15.071 ( 8.534 -0.000 -0.000) 8.534 15.313 ( 13.610 -0.000 -0.000) 13.610 15.324 ( 14.890 -0.000 -0.000) 14.890 15.602 ( 24.705 -0.000 -0.000) 24.705 15.755 ( -5.884 0.000 0.000) 5.884 15.926 ( -8.711 0.000 0.000) 8.711 16.260 ( 23.869 -0.000 -0.000) 23.869 16.362 ( -29.950 0.000 0.000) 29.950 16.721 ( -8.514 0.000 0.000) 8.514 16.999 ( 5.718 -0.000 -0.000) 5.718 17.079 ( -6.691 0.000 0.000) 6.691 17.261 ( -20.108 0.000 0.000) 20.108 17.280 ( -0.901 0.000 0.000) 0.901 17.416 ( -2.126 0.000 0.000) 2.126 17.474 ( -9.855 0.000 0.000) 9.855 17.541 ( -11.367 0.000 0.000) 11.367 17.602 ( 14.155 -0.000 -0.000) 14.155 17.916 ( -13.871 0.000 0.000) 13.871 17.976 ( 7.066 -0.000 -0.000) 7.066 18.032 ( 11.368 -0.000 -0.000) 11.368 18.110 ( -1.634 0.000 0.000) 1.634 18.149 ( 6.572 -0.000 -0.000) 6.572 18.363 ( 5.542 -0.000 -0.000) 5.542 18.507 ( -8.052 0.000 0.000) 8.052 18.530 ( 11.721 -0.000 -0.000) 11.721 18.554 ( 21.956 -0.000 -0.000) 21.956 18.607 ( -4.489 0.000 0.000) 4.489 18.630 ( -0.894 0.000 0.000) 0.894 18.820 ( 29.242 -0.000 -0.000) 29.242 19.013 ( -3.974 0.000 0.000) 3.974 19.395 ( -10.586 0.000 0.000) 10.586 19.532 ( -7.508 0.000 0.000) 7.508 19.596 ( -4.596 0.000 0.000) 4.596 19.741 ( -12.373 0.000 0.000) 12.373 19.804 ( 6.546 -0.000 -0.000) 6.546 19.838 ( -8.225 0.000 0.000) 8.225 19.884 ( 11.164 -0.000 -0.000) 11.164 20.145 ( 6.352 -0.000 -0.000) 6.352 20.410 ( -10.205 0.000 0.000) 10.205 20.467 ( -8.086 0.000 0.000) 8.086 20.470 ( -3.058 0.000 0.000) 3.058 21.067 ( -11.968 0.000 0.000) 11.968 21.107 ( 3.276 -0.000 -0.000) 3.276 21.129 ( -3.372 0.000 0.000) 3.372 21.331 ( -9.516 0.000 0.000) 9.516 21.450 ( 1.863 -0.000 -0.000) 1.863 21.512 ( 9.544 -0.000 -0.000) 9.544 21.570 ( -2.677 0.000 0.000) 2.677 21.725 ( -4.365 0.000 0.000) 4.365 21.779 ( 10.937 -0.000 -0.000) 10.937 21.921 ( -6.825 0.000 0.000) 6.825 22.070 ( 9.260 -0.000 -0.000) 9.260 22.211 ( -2.646 0.000 0.000) 2.646 22.529 ( -4.478 0.000 0.000) 4.478 22.538 ( -0.726 0.000 0.000) 0.726 22.584 ( -6.030 0.000 0.000) 6.030 22.681 ( -4.018 0.000 0.000) 4.018 22.712 ( -12.566 0.000 0.000) 12.566 22.767 ( 9.463 -0.000 -0.000) 9.463 22.867 ( 8.201 -0.000 -0.000) 8.201 23.082 ( 7.766 -0.000 -0.000) 7.766 23.180 ( 21.557 -0.000 -0.000) 21.557 23.200 ( 21.044 -0.000 -0.000) 21.044 23.204 ( 10.967 -0.000 -0.000) 10.967 23.746 ( 1.572 -0.000 -0.000) 1.572 23.802 ( 3.355 -0.000 -0.000) 3.355 23.853 ( 6.903 -0.000 -0.000) 6.903 24.421 ( -6.906 0.000 0.000) 6.906 24.562 ( -2.440 0.000 0.000) 2.440 24.580 ( -1.265 0.000 0.000) 1.265 25.595 ( 14.249 -0.000 -0.000) 14.249 26.691 ( -7.171 0.000 0.000) 7.171 26.819 ( 1.190 -0.000 -0.000) 1.190 26.836 ( 1.715 -0.000 -0.000) 1.715 27.762 ( -18.385 0.000 0.000) 18.385 28.065 ( -1.700 0.000 0.000) 1.700 28.095 ( -0.776 0.000 0.000) 0.776 28.685 ( -13.911 0.000 0.000) 13.911 28.932 ( -20.806 0.000 0.000) 20.806 29.115 ( -14.052 0.000 0.000) 14.052 29.399 ( 6.244 -0.000 -0.000) 6.244 29.522 ( 16.332 -0.000 -0.000) 16.332 29.663 ( 1.811 -0.000 -0.000) 1.811 29.735 ( 7.089 -0.000 -0.000) 7.089 29.944 ( 13.738 -0.000 -0.000) 13.738 31.320 ( -1.455 0.000 0.000) 1.455 ======================= Grid point 112 (20/45) ======================= q-point: ( 0.22 0.22 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.305 ( 33.354 33.405 44.177) 64.653 6.375 ( 30.689 30.747 51.461) 67.346 8.316 ( -13.092 -12.623 -35.746) 40.107 8.394 ( -11.254 -18.587 -36.026) 42.071 8.575 ( -31.904 -11.166 -23.929) 41.414 8.650 ( -15.029 -28.499 -24.973) 40.764 8.974 ( -25.368 -28.053 4.741) 38.119 9.081 ( -32.320 -30.189 7.746) 44.900 9.886 ( 54.450 54.445 67.577) 102.449 11.303 ( 10.924 10.978 -7.195) 17.077 11.509 ( 3.461 0.972 0.618) 3.648 11.728 ( 0.400 13.463 -12.599) 18.443 11.780 ( 9.647 2.178 -2.889) 10.304 12.075 ( -0.128 -7.171 -0.374) 7.182 12.188 ( -11.685 -5.519 1.269) 12.985 12.428 ( -0.164 -1.603 -7.757) 7.923 12.466 ( -3.345 -8.975 -6.375) 11.505 12.776 ( 15.279 -2.049 -12.021) 19.549 12.921 ( -26.025 19.356 -20.714) 38.484 13.067 ( 11.716 -7.914 -7.090) 15.816 13.273 ( 5.110 -1.387 3.164) 6.168 13.456 ( 1.488 1.709 -19.196) 19.330 13.712 ( -6.197 9.757 -18.108) 21.482 13.871 ( 14.880 11.409 -5.604) 19.570 13.996 ( 11.023 -1.487 -16.548) 19.939 14.162 ( 5.618 6.550 1.136) 8.704 14.353 ( 7.365 -4.620 10.486) 13.621 14.390 ( 2.418 6.221 17.970) 19.170 14.546 ( 3.145 2.560 9.339) 10.182 14.589 ( -10.288 -0.322 16.762) 19.670 14.696 ( 0.361 6.128 -4.269) 7.477 14.845 ( 3.563 -0.089 6.219) 7.168 15.037 ( 4.028 0.367 13.099) 13.709 15.112 ( -0.656 -0.340 -0.918) 1.179 15.279 ( -6.836 -5.698 12.642) 15.460 15.397 ( 2.680 1.891 9.976) 10.501 15.513 ( -1.543 7.309 4.968) 8.971 15.611 ( 2.804 -1.631 1.589) 3.612 15.695 ( -0.216 -5.290 16.121) 16.968 16.254 ( 1.895 8.070 -4.578) 9.469 16.366 ( 3.051 -4.659 1.340) 5.728 16.402 ( -0.335 4.470 2.752) 5.260 16.494 ( -3.724 -6.232 -5.215) 8.939 16.772 ( 4.854 -1.784 -8.575) 10.014 16.915 ( -8.329 8.112 -10.664) 15.777 17.073 ( 4.212 3.291 -10.405) 11.698 17.160 ( 5.144 1.423 2.579) 5.928 17.229 ( 2.268 -9.497 2.288) 10.028 17.274 ( -7.186 -0.562 9.988) 12.318 17.398 ( -8.709 0.447 -0.928) 8.770 17.450 ( -0.453 -7.746 0.062) 7.760 17.613 ( -7.481 -8.607 6.882) 13.320 17.738 ( -7.630 -4.170 -5.223) 10.143 17.814 ( -5.345 -10.302 -2.259) 11.824 17.917 ( -5.382 -7.793 -6.482) 11.477 18.024 ( -12.618 -6.331 -2.248) 14.295 18.255 ( -1.145 -1.247 -1.040) 1.987 18.398 ( 1.887 -3.772 0.012) 4.218 18.495 ( -5.593 -1.200 3.182) 6.546 18.594 ( -2.550 -2.389 -3.041) 4.632 19.136 ( 8.086 8.054 4.639) 12.320 19.190 ( 4.643 5.594 7.115) 10.172 19.243 ( 6.490 5.782 4.604) 9.836 19.291 ( 7.364 4.760 0.322) 8.775 19.365 ( 3.894 3.759 8.716) 10.259 19.493 ( -0.275 2.627 -6.090) 6.638 19.505 ( -0.699 -2.911 -7.361) 7.946 19.607 ( -0.140 -2.929 -0.271) 2.945 19.633 ( -4.839 1.636 -0.519) 5.134 19.689 ( -0.286 -6.698 -0.396) 6.716 19.707 ( -4.804 -0.332 5.561) 7.356 20.029 ( -8.617 -10.898 -11.398) 17.971 20.415 ( 10.592 10.142 -1.218) 14.715 20.593 ( 2.578 17.124 7.342) 18.809 20.599 ( 5.779 0.605 10.021) 11.584 20.764 ( 3.053 -5.205 -7.463) 9.597 20.914 ( -5.237 -6.263 2.666) 8.588 21.092 ( 1.162 2.702 -7.017) 7.608 21.201 ( -5.695 1.255 -2.684) 6.419 21.295 ( 0.128 -4.428 -0.114) 4.431 21.466 ( -0.436 -5.312 1.293) 5.484 21.665 ( 0.253 4.477 -3.672) 5.795 21.809 ( -0.545 -1.322 0.877) 1.677 21.886 ( 4.994 2.067 -7.911) 9.581 21.995 ( -0.997 3.375 1.427) 3.797 22.065 ( 8.780 4.446 5.734) 11.390 22.272 ( 0.809 4.652 -8.655) 9.859 22.341 ( 2.033 3.365 -3.337) 5.157 22.469 ( -3.575 -1.295 3.822) 5.391 22.616 ( 5.823 -11.582 0.227) 12.965 22.651 ( -10.074 3.249 2.623) 10.905 22.740 ( -1.091 -1.545 1.602) 2.479 23.146 ( 8.265 5.986 -7.918) 12.916 23.361 ( 1.834 -1.383 9.298) 9.578 23.395 ( -4.780 0.438 9.612) 10.744 23.565 ( -4.512 -5.139 2.028) 7.133 23.615 ( 1.230 1.608 3.227) 3.810 23.671 ( -0.502 0.227 7.875) 7.894 23.846 ( -2.180 -2.650 -5.868) 6.797 23.931 ( -5.709 -5.353 -0.047) 7.827 23.993 ( 2.889 2.777 7.542) 8.541 24.199 ( -1.232 -1.529 -1.101) 2.251 24.384 ( -2.241 -2.122 -3.495) 4.662 24.415 ( -2.695 -2.819 -0.182) 3.904 26.681 ( 13.187 11.262 5.550) 18.208 26.713 ( 7.093 10.455 2.900) 12.962 26.780 ( 7.739 5.894 7.818) 12.480 27.115 ( -0.414 -0.352 -8.788) 8.805 27.552 ( 9.999 10.945 2.898) 15.106 27.947 ( 3.018 0.392 -7.480) 8.076 28.037 ( 0.274 2.368 -1.519) 2.826 28.341 ( -1.771 -1.401 -14.473) 14.648 28.646 ( 4.484 5.624 -12.605) 14.513 28.756 ( 2.248 -0.116 -12.388) 12.590 29.099 ( -8.297 -8.364 11.425) 16.411 29.220 ( -13.601 -12.641 12.187) 22.211 29.937 ( 1.315 2.753 0.001) 3.051 30.082 ( 2.686 -5.462 8.274) 10.272 30.128 ( -6.282 0.470 8.367) 10.473 30.568 ( -11.052 -11.234 -7.867) 17.614 ======================= Grid point 113 (21/45) ======================= q-point: ( 0.33 0.22 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.339 ( 19.084 -27.472 -26.751) 42.832 7.355 ( 18.758 33.516 35.690) 52.430 7.492 ( 17.714 -46.362 -24.536) 55.364 7.523 ( 18.371 15.723 41.474) 48.008 8.190 ( -35.345 18.991 -21.357) 45.454 8.478 ( -52.240 17.235 -16.379) 57.396 8.778 ( -23.788 -21.446 22.376) 39.071 8.935 ( -39.156 -16.804 16.104) 45.551 11.349 ( 20.181 5.645 -6.077) 21.819 11.437 ( 26.960 -1.860 -0.748) 27.034 11.536 ( 41.943 28.865 31.728) 59.992 11.574 ( 37.698 -36.746 -27.496) 59.392 11.762 ( 7.563 6.474 -11.358) 15.104 11.893 ( 2.543 9.682 -5.414) 11.381 12.030 ( -2.432 6.358 9.074) 11.343 12.157 ( -10.003 0.408 -2.309) 10.274 12.368 ( -6.069 -2.530 2.447) 7.016 12.419 ( -10.080 -8.008 2.757) 13.166 12.869 ( -16.205 20.741 -29.005) 39.168 13.135 ( 2.916 7.909 -5.785) 10.223 13.174 ( 6.046 2.704 7.394) 9.926 13.361 ( -4.270 1.429 -5.099) 6.802 13.640 ( -21.318 6.437 -10.113) 24.457 13.903 ( 22.314 15.254 -14.295) 30.577 13.968 ( 16.578 18.541 -16.325) 29.751 14.242 ( 10.659 3.795 -4.944) 12.347 14.433 ( -5.902 -7.664 11.811) 15.267 14.543 ( 4.666 -0.216 1.730) 4.981 14.604 ( 5.455 -6.484 7.495) 11.313 14.664 ( 0.093 -7.544 0.532) 7.563 14.768 ( 2.689 -5.164 2.680) 6.410 14.921 ( 2.215 -1.707 3.499) 4.479 15.050 ( -12.617 -0.805 1.008) 12.683 15.222 ( -4.847 -2.961 11.658) 12.968 15.344 ( -7.382 -10.037 -4.031) 13.095 15.407 ( -14.540 -8.131 14.900) 22.350 15.528 ( 4.022 1.793 -2.742) 5.187 15.669 ( 11.488 -6.311 4.938) 14.006 15.956 ( -3.437 12.707 -2.163) 13.340 16.113 ( -6.224 -10.218 -0.134) 11.965 16.329 ( 1.211 3.134 -0.709) 3.434 16.424 ( 5.432 -1.865 -0.261) 5.750 16.517 ( -0.599 7.882 -5.254) 9.492 16.711 ( -4.194 -6.277 8.997) 11.744 16.833 ( 8.664 6.088 -11.705) 15.784 16.976 ( 2.822 9.253 -9.939) 13.869 17.174 ( 7.367 -5.929 12.658) 15.800 17.196 ( 7.209 -5.046 2.442) 9.132 17.316 ( 0.076 -1.403 -4.022) 4.260 17.401 ( 2.384 -5.451 7.239) 9.370 17.504 ( -8.215 2.363 4.663) 9.738 17.613 ( -9.622 -9.111 1.640) 13.352 17.660 ( -11.784 -4.160 -1.445) 12.580 17.678 ( -10.672 -0.057 8.362) 13.558 17.859 ( -16.213 -1.065 2.862) 16.498 17.912 ( -18.468 -5.539 3.654) 19.624 18.213 ( 3.003 7.662 -8.513) 11.840 18.408 ( 1.953 -4.388 7.771) 9.135 18.518 ( -4.379 -3.424 -2.790) 6.220 18.534 ( -5.533 0.392 3.091) 6.350 19.244 ( 3.999 2.229 -5.278) 6.987 19.291 ( 7.877 4.844 -3.328) 9.828 19.320 ( 6.216 2.916 -1.220) 6.973 19.343 ( 6.110 1.239 2.822) 6.843 19.411 ( 2.931 2.147 -5.852) 6.888 19.434 ( 0.192 3.583 -4.473) 5.735 19.533 ( 5.144 -1.338 8.149) 9.729 19.559 ( 2.325 -6.267 0.797) 6.732 19.624 ( -1.041 -0.546 -0.316) 1.217 19.661 ( -5.433 -3.245 4.838) 7.966 19.763 ( -7.504 -5.864 -5.162) 10.833 19.803 ( -12.392 3.078 7.065) 14.592 20.501 ( 11.057 6.148 -4.635) 13.474 20.597 ( 5.081 0.243 -5.676) 7.622 20.734 ( 1.141 0.060 0.082) 1.145 20.778 ( -0.419 0.874 1.955) 2.182 20.949 ( 5.924 5.932 2.899) 8.871 21.016 ( 3.819 -7.252 -1.123) 8.273 21.130 ( 1.724 1.922 -6.309) 6.817 21.253 ( -1.879 0.816 2.818) 3.484 21.549 ( 0.867 2.892 7.789) 8.354 21.602 ( -1.554 -9.972 -1.778) 10.248 21.773 ( -8.399 5.890 -2.495) 10.557 21.861 ( 1.387 0.098 -1.982) 2.421 22.086 ( 8.392 0.805 -5.452) 10.040 22.115 ( 9.685 10.169 -0.709) 14.061 22.210 ( 3.739 7.225 -12.053) 14.542 22.410 ( 5.619 -6.738 4.600) 9.906 22.442 ( -0.008 -3.339 1.905) 3.844 22.532 ( -1.226 -1.818 6.309) 6.679 22.696 ( -8.377 -1.295 0.017) 8.476 22.722 ( -6.253 -1.058 1.513) 6.520 23.127 ( 3.866 10.107 -9.350) 14.301 23.397 ( 1.081 -8.442 9.417) 12.693 23.508 ( -7.084 -5.683 -0.459) 9.093 23.530 ( -7.390 -1.317 6.014) 9.619 23.669 ( 0.198 -1.089 0.242) 1.133 23.722 ( -2.905 -2.427 2.385) 4.474 23.796 ( -2.273 0.019 0.979) 2.475 23.855 ( -5.820 -2.972 2.742) 7.087 24.134 ( 1.370 -2.696 -1.540) 3.393 24.145 ( 1.416 0.920 3.356) 3.757 24.324 ( -5.340 1.561 -1.707) 5.820 24.384 ( -4.085 -2.411 2.470) 5.348 26.797 ( 11.646 4.377 -5.968) 13.799 26.848 ( 12.305 3.581 0.215) 12.817 26.942 ( 6.699 0.773 -7.090) 9.785 26.976 ( 6.512 2.730 1.588) 7.237 27.767 ( 11.009 -4.102 -10.957) 16.065 27.787 ( 11.830 10.609 5.489) 16.811 28.027 ( -1.770 9.735 -11.341) 15.051 28.203 ( 1.847 -1.972 2.125) 3.438 28.609 ( 2.469 11.126 -11.404) 16.123 28.663 ( -1.315 11.302 -10.630) 15.571 29.146 ( -9.975 -12.810 13.359) 21.025 29.197 ( -13.629 -13.707 12.932) 23.257 29.950 ( 0.057 1.147 -1.620) 1.986 30.105 ( 2.759 -8.674 10.205) 13.674 30.310 ( -10.883 -10.211 -5.984) 16.078 30.318 ( -11.298 5.037 10.153) 16.003 ======================= Grid point 118 (22/45) ======================= q-point: (-0.22 0.22 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.659 ( 77.690 -26.827 -0.000) 82.192 3.666 ( 76.820 -27.626 -0.000) 81.637 5.490 ( 117.214 -35.546 -0.000) 122.485 9.983 ( -32.458 42.364 0.000) 53.369 10.334 ( -30.257 9.454 0.000) 31.700 10.388 ( -31.545 16.677 0.000) 35.682 10.544 ( -34.739 40.202 0.000) 53.132 10.847 ( -26.290 -3.557 0.000) 26.529 11.005 ( -11.712 18.379 0.000) 21.794 11.045 ( -26.397 -14.039 0.000) 29.898 11.390 ( -29.107 4.294 0.000) 29.422 11.456 ( -10.873 13.763 0.000) 17.540 11.711 ( -26.587 -19.653 0.000) 33.063 11.882 ( -10.542 12.405 0.000) 16.279 12.064 ( -13.310 -8.301 0.000) 15.686 12.200 ( -11.261 -22.323 -0.000) 25.002 12.332 ( -10.531 -7.261 0.000) 12.791 12.435 ( -16.350 -20.272 -0.000) 26.044 12.892 ( -3.142 -7.129 -0.000) 7.790 13.303 ( 10.871 13.297 0.000) 17.175 13.310 ( 10.407 19.635 0.000) 22.222 13.476 ( -7.737 9.520 0.000) 12.268 13.666 ( -18.181 -9.552 0.000) 20.537 13.721 ( 20.677 13.760 -0.000) 24.837 13.744 ( 18.881 -16.580 -0.000) 25.127 13.934 ( 15.863 -2.175 -0.000) 16.012 13.949 ( 18.022 -8.837 -0.000) 20.072 13.960 ( 13.904 -15.442 -0.000) 20.779 14.092 ( 13.460 -1.579 -0.000) 13.552 14.225 ( 12.091 -10.381 -0.000) 15.936 14.370 ( 6.537 10.508 0.000) 12.375 14.481 ( 27.994 -11.776 -0.000) 30.370 14.812 ( 6.676 -7.079 -0.000) 9.730 15.008 ( 7.970 -1.984 -0.000) 8.214 15.154 ( 11.081 5.637 -0.000) 12.432 15.473 ( -4.380 6.265 0.000) 7.644 15.475 ( 11.333 -0.138 -0.000) 11.334 15.650 ( -7.615 -9.810 -0.000) 12.419 15.751 ( -1.264 13.206 0.000) 13.267 15.972 ( -8.384 -6.003 0.000) 10.311 16.036 ( -2.559 -13.238 -0.000) 13.483 16.267 ( 3.330 13.938 0.000) 14.330 16.826 ( 4.168 -6.742 -0.000) 7.927 17.012 ( -11.017 3.850 0.000) 11.670 17.026 ( -1.898 2.539 0.000) 3.170 17.084 ( 0.101 -12.968 -0.000) 12.968 17.194 ( 1.124 7.937 0.000) 8.017 17.318 ( -6.368 3.105 0.000) 7.085 17.401 ( -8.974 -2.367 0.000) 9.281 17.447 ( 3.569 2.553 -0.000) 4.388 17.710 ( -8.735 -1.053 0.000) 8.798 17.792 ( 8.455 4.595 -0.000) 9.623 18.010 ( 1.591 5.352 0.000) 5.584 18.102 ( 1.698 -0.830 -0.000) 1.889 18.210 ( -0.039 -10.445 -0.000) 10.445 18.244 ( 9.664 7.341 -0.000) 12.136 18.374 ( -4.929 0.824 0.000) 4.998 18.483 ( 8.647 -2.096 -0.000) 8.897 18.537 ( -1.748 4.891 0.000) 5.194 18.648 ( 1.833 -9.670 -0.000) 9.843 18.750 ( 8.302 -6.359 -0.000) 10.458 18.917 ( 22.923 -5.063 -0.000) 23.476 18.948 ( -0.683 3.192 0.000) 3.264 19.224 ( 21.883 -4.076 -0.000) 22.260 19.264 ( -10.296 12.775 0.000) 16.407 19.272 ( -4.133 2.745 0.000) 4.961 19.536 ( -0.004 0.298 0.000) 0.298 19.595 ( -7.404 9.787 0.000) 12.272 19.697 ( -10.216 -8.395 0.000) 13.223 19.989 ( 5.609 1.427 -0.000) 5.788 19.997 ( -3.003 4.032 0.000) 5.027 20.168 ( 3.155 6.837 0.000) 7.530 20.213 ( -1.723 -5.021 -0.000) 5.309 20.372 ( -11.160 -3.487 0.000) 11.693 20.408 ( -2.986 4.108 0.000) 5.079 20.933 ( -8.210 -2.059 0.000) 8.464 21.044 ( -4.114 0.277 0.000) 4.123 21.207 ( -0.906 -4.878 -0.000) 4.961 21.280 ( -6.593 -5.649 0.000) 8.682 21.314 ( 0.240 6.246 0.000) 6.251 21.595 ( -7.280 4.203 0.000) 8.406 21.629 ( 8.327 4.238 -0.000) 9.344 21.697 ( -2.045 -9.639 -0.000) 9.854 21.912 ( 4.009 -0.346 -0.000) 4.024 21.939 ( 4.174 -7.594 -0.000) 8.665 22.025 ( -5.585 12.068 0.000) 13.298 22.194 ( 2.637 -3.164 -0.000) 4.119 22.373 ( -18.759 5.472 0.000) 19.541 22.521 ( -1.331 -3.392 -0.000) 3.644 22.531 ( 1.752 2.253 0.000) 2.855 22.598 ( -2.281 2.741 0.000) 3.566 22.633 ( 0.898 -1.895 -0.000) 2.097 22.973 ( 10.077 -9.115 -0.000) 13.588 23.077 ( 11.044 -8.072 -0.000) 13.680 23.227 ( 12.242 -1.138 -0.000) 12.295 23.336 ( 10.111 1.160 -0.000) 10.177 23.487 ( 16.996 -7.682 -0.000) 18.651 23.531 ( 20.848 -0.787 -0.000) 20.863 23.746 ( 1.656 2.492 0.000) 2.992 23.873 ( 3.345 -0.963 -0.000) 3.480 23.972 ( 8.467 -1.353 -0.000) 8.575 24.353 ( -3.343 -0.497 0.000) 3.380 24.498 ( -2.018 3.294 0.000) 3.863 24.542 ( -1.993 2.338 0.000) 3.072 25.862 ( 16.131 -7.323 -0.000) 17.716 26.564 ( -8.165 1.161 0.000) 8.247 26.782 ( -0.923 6.199 0.000) 6.267 26.893 ( -1.812 -6.878 -0.000) 7.113 27.487 ( -20.402 1.273 0.000) 20.442 27.982 ( -4.613 3.503 0.000) 5.792 28.062 ( -5.386 -1.552 0.000) 5.605 28.460 ( -22.139 -2.105 0.000) 22.239 28.646 ( -22.452 -2.665 0.000) 22.610 28.907 ( -19.751 -4.723 0.000) 20.308 29.455 ( 13.198 8.498 -0.000) 15.697 29.640 ( 11.587 9.510 -0.000) 14.990 29.792 ( 13.480 -1.306 -0.000) 13.543 29.926 ( 11.767 -6.496 -0.000) 13.441 30.118 ( 13.774 2.718 -0.000) 14.040 31.238 ( -2.158 7.835 0.000) 8.127 ======================= Grid point 119 (23/45) ======================= q-point: (-0.11 0.22 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( 77.649 -0.000 26.915) 82.182 3.670 ( 76.940 -0.000 27.708) 81.777 5.489 ( 117.173 -0.000 35.446) 122.417 9.943 ( -33.610 -0.000 -41.026) 53.035 10.391 ( -29.377 0.000 -14.214) 32.635 10.407 ( -29.617 0.000 -12.842) 32.282 10.530 ( -37.589 -0.000 -40.793) 55.471 10.883 ( -18.868 0.000 -7.947) 20.473 10.897 ( -26.670 0.000 13.212) 29.763 11.028 ( -20.883 0.000 -12.795) 24.491 11.442 ( -21.158 0.000 0.636) 21.167 11.532 ( -10.066 0.000 -4.988) 11.234 11.727 ( -26.195 0.000 16.865) 31.154 11.915 ( -13.130 0.000 -9.905) 16.447 12.034 ( -17.212 0.000 5.264) 17.999 12.113 ( -17.729 0.000 7.736) 19.343 12.221 ( -8.478 0.000 16.716) 18.743 12.509 ( -11.512 0.000 14.136) 18.231 12.874 ( -3.340 0.000 5.348) 6.305 13.387 ( -2.814 -0.000 -5.639) 6.302 13.400 ( 26.342 -0.000 -11.014) 28.552 13.573 ( -0.362 0.000 3.684) 3.701 13.597 ( -9.325 0.000 4.341) 10.286 13.736 ( 5.788 0.000 6.338) 8.584 13.746 ( 8.425 -0.000 -6.165) 10.440 13.824 ( 21.555 -0.000 3.406) 21.822 13.857 ( 19.742 -0.000 2.108) 19.854 14.039 ( 17.438 -0.000 -3.329) 17.753 14.058 ( 16.611 -0.000 12.256) 20.643 14.169 ( 6.838 -0.000 4.798) 8.353 14.385 ( 17.931 -0.000 4.833) 18.571 14.625 ( 7.156 0.000 12.496) 14.400 14.693 ( 14.030 -0.000 -4.023) 14.595 14.995 ( 7.576 -0.000 0.867) 7.625 15.229 ( 14.417 -0.000 -6.561) 15.840 15.299 ( 7.962 -0.000 2.787) 8.435 15.323 ( -26.667 0.000 -24.593) 36.276 15.771 ( 5.467 -0.000 -6.681) 8.633 15.778 ( 7.715 0.000 21.474) 22.817 15.968 ( 7.043 -0.000 3.308) 7.782 16.224 ( -10.607 0.000 24.584) 26.774 16.498 ( 13.114 -0.000 -4.383) 13.827 16.602 ( -14.456 0.000 3.406) 14.852 16.919 ( -3.984 -0.000 -12.496) 13.115 17.014 ( -6.742 0.000 -4.158) 7.921 17.043 ( 2.437 -0.000 -1.276) 2.751 17.229 ( -1.631 -0.000 -1.725) 2.375 17.330 ( -10.303 0.000 -1.272) 10.381 17.361 ( -0.550 -0.000 -0.884) 1.041 17.567 ( -1.115 0.000 9.010) 9.079 17.722 ( 5.453 -0.000 -2.417) 5.964 17.733 ( -5.402 0.000 -5.065) 7.405 18.080 ( 2.070 0.000 4.041) 4.540 18.082 ( -0.905 -0.000 -7.594) 7.647 18.207 ( 6.188 0.000 8.872) 10.816 18.271 ( -2.283 -0.000 -3.518) 4.194 18.397 ( 11.420 -0.000 4.297) 12.201 18.424 ( 10.192 -0.000 -5.187) 11.436 18.504 ( -5.223 0.000 -3.111) 6.080 18.653 ( -2.173 0.000 8.735) 9.001 18.757 ( 9.245 -0.000 5.478) 10.746 18.862 ( 2.913 -0.000 -3.874) 4.847 19.021 ( 13.710 -0.000 6.380) 15.122 19.134 ( 21.177 -0.000 -6.805) 22.244 19.248 ( -4.292 -0.000 -6.177) 7.521 19.347 ( -11.095 0.000 -5.353) 12.319 19.523 ( -6.480 0.000 1.287) 6.607 19.614 ( -0.367 -0.000 -0.433) 0.567 19.666 ( -9.187 0.000 -3.783) 9.935 19.937 ( 6.503 -0.000 -2.211) 6.868 20.097 ( 9.132 -0.000 8.062) 12.182 20.188 ( -8.837 -0.000 -9.316) 12.841 20.191 ( -12.088 0.000 -4.692) 12.966 20.284 ( 3.614 0.000 4.509) 5.778 20.465 ( -3.949 0.000 0.667) 4.005 20.946 ( -8.714 0.000 2.271) 9.005 21.091 ( -6.344 0.000 4.746) 7.923 21.144 ( 1.079 -0.000 -0.440) 1.165 21.256 ( -7.006 0.000 5.402) 8.847 21.433 ( 2.814 -0.000 -6.709) 7.275 21.506 ( -4.753 0.000 -3.419) 5.855 21.617 ( 8.798 -0.000 -3.733) 9.557 21.679 ( -9.122 0.000 7.655) 11.908 21.928 ( 4.893 -0.000 3.639) 6.098 21.930 ( 1.929 -0.000 1.311) 2.333 22.103 ( -1.579 -0.000 -3.470) 3.813 22.128 ( -3.741 -0.000 -3.815) 5.343 22.382 ( -10.750 0.000 -2.366) 11.007 22.505 ( -2.049 -0.000 -3.511) 4.065 22.581 ( -4.527 0.000 7.591) 8.838 22.644 ( 2.697 0.000 3.588) 4.489 22.655 ( -0.044 0.000 2.870) 2.870 22.924 ( 5.017 -0.000 2.692) 5.694 22.982 ( 13.784 -0.000 -2.239) 13.965 23.236 ( 12.233 -0.000 2.531) 12.492 23.294 ( 11.409 -0.000 -2.732) 11.731 23.504 ( 16.024 -0.000 7.803) 17.823 23.571 ( 21.195 -0.000 4.857) 21.745 23.794 ( 2.962 -0.000 2.329) 3.768 23.891 ( 5.211 -0.000 4.257) 6.729 23.938 ( 7.214 -0.000 -3.210) 7.895 24.358 ( -3.050 0.000 1.165) 3.265 24.512 ( -3.278 0.000 -1.646) 3.668 24.520 ( -1.407 -0.000 -5.130) 5.319 25.860 ( 16.028 -0.000 7.091) 17.527 26.572 ( -9.753 0.000 -0.313) 9.758 26.705 ( -2.003 -0.000 -8.452) 8.686 26.973 ( 1.710 0.000 9.329) 9.484 27.471 ( -20.907 0.000 -2.758) 21.088 28.021 ( -4.819 0.000 -3.268) 5.822 28.042 ( -4.639 0.000 2.846) 5.443 28.441 ( -23.294 0.000 0.503) 23.299 28.650 ( -22.295 0.000 3.361) 22.547 28.903 ( -19.637 0.000 3.729) 19.988 29.433 ( 12.291 -0.000 -10.308) 16.041 29.718 ( 19.043 -0.000 -7.914) 20.622 29.781 ( 5.127 0.000 7.060) 8.725 29.866 ( 13.088 -0.000 -1.111) 13.135 30.138 ( 14.221 -0.000 0.155) 14.222 31.236 ( -2.234 -0.000 -7.986) 8.293 ======================= Grid point 128 (24/45) ======================= q-point: (-0.33 0.33 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.094 ( 68.461 -34.198 -0.000) 76.527 5.119 ( 70.320 -37.163 -0.000) 79.536 7.586 ( 103.447 -47.023 -0.000) 113.633 8.905 ( -32.334 49.736 0.000) 59.322 9.338 ( -40.506 50.996 0.000) 65.126 9.758 ( -23.761 15.982 0.000) 28.636 9.869 ( -19.647 13.589 0.000) 23.888 10.567 ( -18.743 -2.570 0.000) 18.918 10.636 ( -10.112 11.354 0.000) 15.204 10.881 ( -15.366 -2.692 0.000) 15.600 10.944 ( -23.586 5.980 0.000) 24.333 11.193 ( -9.654 3.471 0.000) 10.259 11.464 ( -12.735 5.705 0.000) 13.954 11.845 ( -11.484 -18.497 -0.000) 21.772 11.934 ( -15.870 0.706 0.000) 15.885 12.319 ( -9.232 -10.135 -0.000) 13.710 12.344 ( -17.601 -25.645 -0.000) 31.104 12.542 ( -12.374 -23.574 -0.000) 26.624 12.814 ( -20.911 0.111 0.000) 20.912 12.959 ( -18.907 26.269 0.000) 32.365 13.155 ( -1.624 9.619 0.000) 9.755 13.213 ( -14.562 -0.225 0.000) 14.564 13.552 ( -10.364 -5.545 0.000) 11.754 13.818 ( 17.802 10.671 -0.000) 20.756 13.964 ( 7.573 5.365 -0.000) 9.281 14.204 ( 1.839 -2.163 -0.000) 2.839 14.207 ( 17.968 -11.083 -0.000) 21.111 14.328 ( 9.057 12.298 0.000) 15.273 14.361 ( 12.994 -10.378 -0.000) 16.630 14.501 ( 17.177 -10.823 -0.000) 20.302 14.590 ( 8.270 -12.899 -0.000) 15.322 14.910 ( 8.097 -5.277 -0.000) 9.664 14.970 ( 19.280 -1.527 -0.000) 19.340 15.133 ( 9.328 -2.101 -0.000) 9.562 15.214 ( 4.538 11.646 0.000) 12.499 15.327 ( 17.961 -1.396 -0.000) 18.015 15.586 ( -0.683 -5.413 -0.000) 5.456 15.667 ( -3.782 -8.539 -0.000) 9.338 15.827 ( 0.439 -11.147 -0.000) 11.155 15.844 ( -7.933 -11.978 -0.000) 14.367 16.203 ( -1.775 2.480 0.000) 3.050 16.350 ( 8.811 -6.967 -0.000) 11.232 16.774 ( 4.541 10.619 0.000) 11.549 16.817 ( -9.607 4.492 0.000) 10.605 16.828 ( -13.752 7.852 0.000) 15.836 17.124 ( 3.714 8.409 0.000) 9.192 17.195 ( -8.836 -0.508 0.000) 8.851 17.298 ( 2.613 -1.980 -0.000) 3.278 17.366 ( 0.273 8.356 0.000) 8.360 17.559 ( 12.650 -17.811 -0.000) 21.846 17.712 ( 5.325 11.361 0.000) 12.547 17.732 ( 2.560 4.855 0.000) 5.488 17.918 ( 0.560 6.793 0.000) 6.816 18.124 ( 0.002 1.647 0.000) 1.647 18.194 ( -10.128 1.253 0.000) 10.205 18.265 ( 2.235 0.702 -0.000) 2.342 18.433 ( 3.860 -6.112 -0.000) 7.229 18.500 ( 1.933 -0.882 -0.000) 2.124 18.532 ( -4.631 -1.738 0.000) 4.946 18.770 ( 6.591 5.609 -0.000) 8.654 18.910 ( 2.312 -4.782 -0.000) 5.311 18.933 ( -1.184 -1.877 -0.000) 2.219 19.106 ( 3.538 -1.690 -0.000) 3.921 19.150 ( 0.890 -1.002 -0.000) 1.340 19.328 ( 0.132 -3.099 -0.000) 3.102 19.450 ( 10.506 1.484 -0.000) 10.610 19.525 ( -8.823 0.228 0.000) 8.826 19.564 ( 12.162 -11.537 -0.000) 16.763 19.676 ( 8.542 2.853 -0.000) 9.005 19.715 ( -3.627 9.660 0.000) 10.318 20.006 ( -12.686 5.167 0.000) 13.698 20.058 ( -1.323 10.632 0.000) 10.714 20.151 ( 5.301 2.473 -0.000) 5.849 20.266 ( -1.256 10.486 0.000) 10.561 20.557 ( 7.520 -14.075 -0.000) 15.958 20.880 ( -5.083 -2.520 0.000) 5.673 21.054 ( -0.678 -4.611 -0.000) 4.660 21.117 ( -4.643 4.095 0.000) 6.191 21.222 ( -9.591 -0.036 0.000) 9.591 21.394 ( -12.278 -5.389 0.000) 13.409 21.445 ( 4.490 0.003 -0.000) 4.490 21.631 ( 5.594 6.482 0.000) 8.562 21.696 ( -5.246 1.104 0.000) 5.361 21.753 ( -9.638 9.508 0.000) 13.539 21.963 ( 4.961 4.494 -0.000) 6.694 21.987 ( -19.342 -6.909 0.000) 20.539 22.151 ( 0.476 -0.596 -0.000) 0.763 22.258 ( -0.953 -4.770 -0.000) 4.864 22.546 ( 0.456 -0.524 -0.000) 0.695 22.579 ( 8.700 1.648 -0.000) 8.855 22.616 ( 1.024 -5.512 -0.000) 5.607 22.694 ( 3.321 -1.872 -0.000) 3.812 23.162 ( -2.278 -6.581 -0.000) 6.964 23.306 ( 14.242 0.356 -0.000) 14.247 23.465 ( 15.347 -5.096 -0.000) 16.171 23.507 ( 14.751 -1.627 -0.000) 14.841 23.756 ( 4.463 0.204 -0.000) 4.468 23.757 ( 14.262 1.719 -0.000) 14.365 23.825 ( 12.731 -9.531 -0.000) 15.903 23.886 ( 0.864 2.394 0.000) 2.545 24.093 ( 7.101 0.695 -0.000) 7.134 24.326 ( -0.568 1.760 0.000) 1.850 24.455 ( 0.028 0.824 0.000) 0.825 24.468 ( -2.373 3.487 0.000) 4.218 26.186 ( 11.577 -10.428 -0.000) 15.581 26.471 ( -6.066 -1.944 0.000) 6.369 26.637 ( -4.161 8.333 0.000) 9.314 26.967 ( -4.212 -11.501 -0.000) 12.248 27.167 ( -18.880 5.868 0.000) 19.771 27.896 ( -9.134 -3.902 0.000) 9.932 28.004 ( -9.061 -4.889 0.000) 10.296 28.122 ( -22.513 4.662 0.000) 22.991 28.428 ( -20.934 -10.380 0.000) 23.366 28.725 ( -24.462 -12.675 0.000) 27.551 29.554 ( 20.038 10.588 -0.000) 22.664 29.655 ( 14.092 13.971 -0.000) 19.844 29.968 ( 13.478 3.346 -0.000) 13.887 30.197 ( 15.296 -4.137 -0.000) 15.846 30.238 ( 12.530 5.149 -0.000) 13.547 31.059 ( -3.122 12.587 0.000) 12.969 ======================= Grid point 129 (25/45) ======================= q-point: (-0.22 0.33 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.814 ( 73.263 -16.880 17.074) 77.096 4.883 ( 74.672 -20.472 20.633) 80.129 7.261 ( 111.167 -25.522 25.324) 116.837 9.452 ( -29.832 15.160 -33.593) 47.416 9.542 ( -29.277 33.861 -15.180) 47.266 9.980 ( -30.061 12.300 -32.011) 45.603 10.056 ( -30.841 36.715 -9.617) 48.905 10.222 ( -20.284 4.131 -12.551) 24.208 10.554 ( -15.586 10.451 -10.489) 21.498 10.810 ( -15.571 -4.290 -0.619) 16.163 11.317 ( -22.293 -1.111 21.332) 30.875 11.358 ( -21.260 -9.936 7.377) 24.599 11.539 ( -16.050 -15.290 23.475) 32.287 11.674 ( -12.545 -0.713 -8.355) 15.089 11.883 ( -10.498 -7.503 2.362) 13.118 12.055 ( -16.738 -19.580 -1.804) 25.823 12.154 ( -14.342 -11.252 15.624) 24.008 12.398 ( -10.469 -6.602 11.850) 17.135 12.793 ( -14.363 -3.934 2.665) 15.129 13.133 ( -25.028 -4.185 -1.744) 25.436 13.232 ( -22.882 5.428 4.136) 23.878 13.464 ( -3.789 15.222 8.424) 17.805 13.596 ( 11.861 12.810 -5.402) 18.275 13.913 ( 10.176 13.318 -9.053) 19.049 13.959 ( 5.651 -0.764 -2.193) 6.110 14.067 ( 14.815 -10.068 -8.434) 19.799 14.133 ( 13.141 -9.311 0.676) 16.120 14.226 ( 11.445 -4.096 2.676) 12.447 14.346 ( 14.574 -7.856 7.928) 18.357 14.402 ( 9.968 -11.920 1.717) 15.634 14.584 ( 10.804 4.108 11.614) 16.386 14.788 ( 6.305 -0.888 -16.392) 17.585 14.922 ( 17.585 -2.891 -2.568) 18.006 15.114 ( 8.816 -0.088 -2.897) 9.280 15.152 ( 7.412 -6.751 -3.899) 10.757 15.378 ( 6.031 7.142 -6.747) 11.529 15.450 ( 11.426 -2.688 7.668) 14.020 15.638 ( -0.712 10.553 -0.542) 10.591 15.850 ( 2.409 -2.123 12.095) 12.514 16.063 ( -9.770 -0.475 27.173) 28.880 16.155 ( 6.769 -0.706 -6.934) 9.716 16.357 ( 2.310 -1.269 7.957) 8.382 16.675 ( -10.697 -7.006 -7.290) 14.719 16.869 ( -7.169 -0.283 -4.277) 8.353 16.993 ( -4.040 5.916 4.013) 8.211 17.074 ( 2.781 -6.553 -6.155) 9.411 17.184 ( 0.644 2.501 -2.585) 3.654 17.278 ( 2.948 1.107 -1.294) 3.404 17.370 ( 4.108 -4.283 1.172) 6.049 17.526 ( 1.019 6.383 4.720) 8.004 17.681 ( -0.210 -4.666 -0.768) 4.734 17.817 ( 3.723 5.538 -7.326) 9.910 18.043 ( 0.761 4.721 -1.984) 5.178 18.059 ( -4.745 -1.133 -5.027) 7.004 18.183 ( -2.005 3.352 -0.918) 4.012 18.321 ( 4.324 5.061 1.466) 6.817 18.392 ( 5.014 0.705 2.377) 5.594 18.500 ( -1.428 -2.910 -0.147) 3.245 18.558 ( -1.550 5.353 3.226) 6.440 18.749 ( 11.951 -6.594 -3.520) 14.096 18.873 ( 2.286 0.396 -6.406) 6.813 18.903 ( 5.520 -1.415 2.291) 6.142 19.078 ( -0.635 4.339 -0.799) 4.458 19.180 ( -3.074 1.903 -0.688) 3.681 19.281 ( 5.952 -1.795 -0.876) 6.279 19.390 ( 3.833 -8.020 -2.919) 9.356 19.470 ( -11.307 -6.538 0.968) 13.097 19.534 ( 5.421 4.962 2.327) 7.709 19.708 ( 10.694 0.334 -1.689) 10.832 19.833 ( -9.990 9.073 -4.833) 14.334 20.009 ( -11.731 2.276 -7.907) 14.329 20.162 ( 7.430 0.264 3.424) 8.185 20.255 ( 5.618 6.457 5.721) 10.295 20.347 ( 8.998 -8.142 -1.794) 12.267 20.463 ( 2.231 3.543 6.801) 7.987 20.855 ( -3.975 -0.378 -0.650) 4.045 21.008 ( -2.190 -0.134 0.598) 2.274 21.145 ( -8.607 0.224 -0.481) 8.624 21.199 ( -7.690 -5.904 2.424) 9.994 21.300 ( -2.137 1.099 -0.687) 2.499 21.542 ( -6.582 3.644 6.504) 9.945 21.613 ( -6.301 -9.680 -2.384) 11.793 21.696 ( 6.299 1.446 -4.163) 7.688 21.807 ( -17.390 1.069 -7.499) 18.968 21.966 ( -0.836 8.984 -4.337) 10.011 21.999 ( -0.859 3.807 3.997) 5.586 22.134 ( 4.183 -4.443 0.798) 6.155 22.293 ( -5.296 -1.230 6.018) 8.110 22.506 ( 0.081 -2.258 -3.970) 4.568 22.567 ( -1.513 -3.771 7.044) 8.132 22.658 ( 4.553 2.515 4.981) 7.202 22.700 ( 4.192 -0.719 2.367) 4.867 22.992 ( 2.925 -4.222 -7.389) 8.999 23.255 ( 12.552 -7.361 0.782) 14.572 23.453 ( 18.651 0.801 0.595) 18.677 23.479 ( 13.710 -2.136 -0.520) 13.885 23.739 ( 13.434 -3.416 4.385) 14.539 23.793 ( 13.635 5.294 0.168) 14.628 23.812 ( 7.576 3.695 1.764) 8.612 23.958 ( 4.828 1.654 3.753) 6.335 24.063 ( 7.218 -2.209 -3.217) 8.206 24.339 ( -0.067 0.567 0.411) 0.704 24.460 ( -1.733 0.807 -1.306) 2.315 24.483 ( -1.963 1.891 -3.806) 4.682 26.112 ( 12.562 -6.306 5.878) 15.235 26.447 ( -9.113 -2.407 0.657) 9.449 26.662 ( -3.017 1.391 -6.756) 7.528 26.964 ( -4.912 -1.374 11.304) 12.402 27.198 ( -20.364 -2.408 0.021) 20.506 27.901 ( -11.215 2.491 2.954) 11.862 27.929 ( -10.480 -2.371 -1.273) 10.820 28.156 ( -26.046 -6.983 3.643) 27.210 28.358 ( -22.871 -3.636 4.708) 23.632 28.616 ( -23.228 -2.623 2.030) 23.464 29.602 ( 18.698 5.842 -8.913) 21.522 29.822 ( 13.595 9.190 0.554) 16.419 29.976 ( 15.770 1.176 -4.837) 16.537 30.110 ( 17.107 -3.509 -2.718) 17.674 30.312 ( 14.887 4.389 -0.481) 15.528 31.149 ( -2.397 7.864 -8.201) 11.613 ======================= Grid point 130 (26/45) ======================= q-point: (-0.11 0.33 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.102 ( 68.764 -0.000 34.301) 76.844 5.118 ( 70.396 -0.000 37.276) 79.656 7.582 ( 103.315 -0.000 47.002) 113.504 8.872 ( -32.903 -0.000 -48.508) 58.615 9.322 ( -41.604 -0.000 -50.930) 65.763 9.823 ( -23.399 0.000 -15.376) 27.999 9.846 ( -19.061 0.000 -17.096) 25.604 10.584 ( -14.244 0.000 -2.569) 14.474 10.651 ( -18.111 0.000 -2.344) 18.262 10.678 ( -15.725 0.000 -0.634) 15.737 11.182 ( -18.405 0.000 1.259) 18.448 11.343 ( -9.909 -0.000 -20.573) 22.835 11.368 ( -8.134 0.000 -1.740) 8.318 11.907 ( -17.066 0.000 6.686) 18.329 11.925 ( -20.082 0.000 32.224) 37.970 12.053 ( -12.745 0.000 11.967) 17.483 12.226 ( -12.385 0.000 1.218) 12.445 12.514 ( -8.569 0.000 7.022) 11.079 12.804 ( -16.107 0.000 3.184) 16.418 13.075 ( -24.121 0.000 -1.894) 24.195 13.379 ( -27.000 0.000 10.479) 28.962 13.521 ( -10.511 0.000 -8.317) 13.403 13.606 ( 21.535 -0.000 -7.031) 22.654 13.827 ( 11.080 -0.000 -14.846) 18.525 13.938 ( -4.751 0.000 7.587) 8.952 13.959 ( 16.974 -0.000 -3.988) 17.436 14.083 ( -3.832 -0.000 -8.193) 9.044 14.184 ( 14.537 -0.000 9.034) 17.116 14.430 ( 12.106 -0.000 11.975) 17.028 14.437 ( 18.367 -0.000 -0.136) 18.367 14.568 ( 2.467 0.000 4.895) 5.481 14.819 ( 13.445 -0.000 -8.068) 15.680 14.830 ( 12.441 0.000 16.795) 20.901 15.133 ( 7.750 -0.000 4.100) 8.768 15.154 ( 16.899 -0.000 6.255) 18.020 15.329 ( 14.800 -0.000 -2.408) 14.994 15.565 ( 9.652 0.000 12.090) 15.470 15.753 ( 1.516 -0.000 -0.797) 1.713 16.063 ( 8.405 -0.000 -6.522) 10.638 16.071 ( -4.931 0.000 17.190) 17.883 16.359 ( -10.063 0.000 7.345) 12.458 16.379 ( -22.399 0.000 1.723) 22.465 16.616 ( 7.906 0.000 8.416) 11.547 16.672 ( -4.442 -0.000 -14.622) 15.282 17.005 ( 9.393 -0.000 -3.261) 9.943 17.037 ( -0.714 -0.000 -2.410) 2.513 17.159 ( -1.714 -0.000 -9.098) 9.258 17.217 ( 2.025 -0.000 -1.500) 2.520 17.435 ( 0.204 0.000 7.667) 7.669 17.565 ( -2.696 -0.000 -9.426) 9.804 17.649 ( 1.806 -0.000 1.129) 2.130 17.765 ( 6.168 -0.000 -3.686) 7.186 17.774 ( -4.241 -0.000 -17.831) 18.329 18.193 ( 3.169 0.000 5.014) 5.932 18.271 ( -1.798 0.000 1.480) 2.329 18.392 ( 1.360 -0.000 0.955) 1.662 18.402 ( -2.473 0.000 0.481) 2.519 18.446 ( 3.871 -0.000 -1.557) 4.172 18.681 ( 12.139 -0.000 6.543) 13.790 18.705 ( -10.371 0.000 3.459) 10.933 18.806 ( 7.293 -0.000 -0.419) 7.305 18.888 ( 4.759 -0.000 -0.734) 4.815 19.112 ( -1.118 -0.000 -2.657) 2.883 19.196 ( -4.946 0.000 0.865) 5.021 19.242 ( 6.086 -0.000 -1.375) 6.239 19.258 ( 2.575 -0.000 0.550) 2.633 19.460 ( -8.479 0.000 3.209) 9.066 19.645 ( 4.129 0.000 4.780) 6.316 19.666 ( 7.484 -0.000 -4.574) 8.772 19.748 ( -6.694 -0.000 -11.635) 13.423 19.979 ( -4.746 0.000 -0.190) 4.750 20.115 ( 0.988 -0.000 -6.647) 6.720 20.247 ( 12.377 -0.000 -0.696) 12.396 20.365 ( 4.426 -0.000 -4.448) 6.275 20.597 ( 9.405 0.000 10.692) 14.240 20.863 ( -7.987 0.000 2.065) 8.249 21.077 ( -6.593 0.000 5.367) 8.501 21.090 ( -9.728 0.000 -4.777) 10.838 21.215 ( -7.852 0.000 7.302) 10.723 21.352 ( 2.893 -0.000 -11.254) 11.620 21.361 ( -3.158 -0.000 -5.832) 6.632 21.648 ( -3.412 -0.000 -3.577) 4.944 21.713 ( -7.953 0.000 12.515) 14.829 21.718 ( -11.928 0.000 -5.486) 13.129 21.999 ( -3.880 0.000 -3.785) 5.420 22.051 ( -0.366 -0.000 -2.214) 2.244 22.102 ( 5.659 -0.000 3.106) 6.455 22.324 ( -4.445 0.000 4.763) 6.515 22.484 ( 3.558 -0.000 0.980) 3.691 22.624 ( -2.116 0.000 3.568) 4.148 22.658 ( 3.369 -0.000 -5.689) 6.612 22.752 ( 5.205 -0.000 5.094) 7.283 22.922 ( -3.382 0.000 -2.227) 4.050 23.274 ( 15.265 -0.000 10.513) 18.535 23.459 ( 11.657 -0.000 2.022) 11.831 23.484 ( 19.330 -0.000 2.399) 19.479 23.817 ( 13.904 -0.000 6.191) 15.220 23.861 ( 12.691 -0.000 3.915) 13.281 23.870 ( 3.579 -0.000 1.118) 3.750 23.951 ( 6.142 -0.000 -7.626) 9.792 24.025 ( 4.768 -0.000 2.766) 5.512 24.341 ( -0.774 -0.000 -2.619) 2.730 24.436 ( -1.167 -0.000 -2.747) 2.984 24.440 ( -2.618 0.000 -1.916) 3.244 26.177 ( 10.921 -0.000 9.908) 14.746 26.431 ( -10.019 0.000 0.610) 10.038 26.593 ( -0.220 -0.000 -3.534) 3.541 27.108 ( 0.048 0.000 9.035) 9.035 27.127 ( -20.882 0.000 -5.247) 21.532 27.923 ( -8.092 0.000 2.390) 8.437 28.014 ( -7.958 0.000 5.580) 9.719 28.055 ( -27.170 0.000 -4.775) 27.586 28.460 ( -20.278 0.000 12.784) 23.972 28.694 ( -23.898 0.000 9.352) 25.663 29.487 ( 18.526 -0.000 -12.787) 22.510 29.814 ( 18.042 -0.000 -15.214) 23.600 29.944 ( 7.264 -0.000 3.359) 8.003 30.043 ( 16.426 -0.000 -3.689) 16.835 30.340 ( 15.001 -0.000 0.397) 15.006 31.051 ( -3.560 -0.000 -12.915) 13.396 ======================= Grid point 138 (27/45) ======================= q-point: (-0.44 0.44 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.450 ( 60.355 -34.408 -0.000) 69.474 6.575 ( 63.031 -41.061 -0.000) 75.226 7.743 ( -32.175 55.216 0.000) 63.906 8.005 ( -40.829 58.286 0.000) 71.164 9.376 ( -10.167 4.298 0.000) 11.038 9.418 ( 29.852 -9.378 -0.000) 31.290 9.688 ( 49.363 -31.278 -0.000) 58.438 10.416 ( -10.577 -4.846 0.000) 11.634 10.447 ( -4.852 0.629 0.000) 4.893 10.633 ( -13.472 0.780 0.000) 13.494 10.739 ( -6.665 4.642 0.000) 8.122 11.069 ( -11.381 -3.003 0.000) 11.771 11.299 ( -4.317 1.437 0.000) 4.550 11.343 ( -25.976 49.987 0.000) 56.333 11.954 ( -10.811 -18.198 -0.000) 21.167 12.199 ( -24.069 -1.122 0.000) 24.095 12.381 ( -5.895 -0.034 0.000) 5.895 12.439 ( -16.766 -24.475 -0.000) 29.667 12.557 ( -29.745 -9.553 0.000) 31.242 12.698 ( -8.180 -17.919 -0.000) 19.698 13.063 ( -11.163 -11.120 0.000) 15.756 13.134 ( -14.483 -14.665 0.000) 20.611 13.544 ( 1.921 -1.743 -0.000) 2.594 13.907 ( 14.349 8.881 -0.000) 16.875 13.941 ( 4.565 10.955 0.000) 11.868 14.193 ( 7.527 17.323 0.000) 18.887 14.202 ( -9.036 -4.755 0.000) 10.210 14.561 ( 17.779 -1.535 -0.000) 17.845 14.570 ( 8.112 0.887 -0.000) 8.160 14.623 ( -3.675 0.031 0.000) 3.675 14.764 ( 4.994 -0.732 -0.000) 5.048 15.024 ( -0.128 5.835 0.000) 5.836 15.214 ( 1.112 -7.662 -0.000) 7.743 15.341 ( 8.697 -3.171 -0.000) 9.257 15.408 ( -0.127 2.794 0.000) 2.797 15.415 ( 23.657 -15.492 -0.000) 28.278 15.758 ( 1.215 -9.880 -0.000) 9.954 15.787 ( -3.226 -8.299 -0.000) 8.904 15.921 ( -7.412 -12.230 -0.000) 14.300 16.047 ( 10.703 -3.321 -0.000) 11.207 16.070 ( -11.299 0.490 0.000) 11.309 16.326 ( -7.281 3.571 0.000) 8.110 16.619 ( -5.713 8.458 0.000) 10.206 16.686 ( 5.295 -0.321 -0.000) 5.305 16.779 ( 14.558 8.410 -0.000) 16.813 17.035 ( -0.358 8.793 0.000) 8.800 17.085 ( -0.254 4.487 0.000) 4.494 17.276 ( 2.187 6.508 0.000) 6.866 17.430 ( 13.096 2.499 -0.000) 13.332 17.511 ( 7.764 23.191 0.000) 24.456 17.746 ( 1.721 2.988 0.000) 3.448 17.777 ( -2.716 -1.683 0.000) 3.195 17.953 ( 8.679 0.300 -0.000) 8.684 18.007 ( -8.784 5.372 0.000) 10.297 18.132 ( -1.199 -11.445 -0.000) 11.508 18.288 ( 1.911 1.084 -0.000) 2.197 18.489 ( -3.992 -1.898 0.000) 4.420 18.529 ( -2.245 -6.049 -0.000) 6.452 18.573 ( 1.600 -4.165 -0.000) 4.462 18.763 ( -0.133 0.504 0.000) 0.522 18.956 ( -0.652 -1.932 -0.000) 2.039 18.996 ( 6.589 -2.083 -0.000) 6.911 19.130 ( -5.087 1.408 0.000) 5.279 19.216 ( -1.184 -5.471 -0.000) 5.598 19.256 ( -5.585 -3.868 0.000) 6.794 19.295 ( -17.249 -1.739 0.000) 17.336 19.516 ( 0.897 1.566 0.000) 1.805 19.694 ( 2.096 11.007 0.000) 11.204 19.702 ( -12.994 2.518 0.000) 13.236 19.854 ( 2.058 10.976 0.000) 11.167 19.903 ( 15.038 3.394 -0.000) 15.417 19.907 ( 21.630 1.377 -0.000) 21.674 20.256 ( 10.870 -6.671 -0.000) 12.753 20.262 ( 8.546 -3.452 -0.000) 9.217 20.811 ( 7.716 -6.277 -0.000) 9.947 20.821 ( -5.035 4.084 0.000) 6.483 20.973 ( -7.129 4.924 0.000) 8.664 20.992 ( -10.081 8.854 0.000) 13.417 21.092 ( -1.175 -1.774 -0.000) 2.128 21.240 ( -5.863 0.387 0.000) 5.876 21.490 ( -7.313 0.787 0.000) 7.355 21.521 ( -12.058 -1.825 0.000) 12.195 21.675 ( 0.500 -8.767 -0.000) 8.782 21.695 ( 6.345 1.801 -0.000) 6.596 21.863 ( -9.978 -4.584 0.000) 10.981 21.952 ( 4.679 3.693 -0.000) 5.960 22.174 ( 0.047 -0.822 -0.000) 0.824 22.295 ( -2.398 -3.760 -0.000) 4.460 22.567 ( 2.027 0.475 -0.000) 2.082 22.650 ( 4.589 3.508 -0.000) 5.776 22.686 ( -1.839 -4.303 -0.000) 4.680 22.760 ( 3.329 -0.780 -0.000) 3.419 23.111 ( -9.732 0.078 0.000) 9.733 23.469 ( 14.736 5.709 -0.000) 15.803 23.668 ( 6.356 2.484 -0.000) 6.825 23.727 ( 13.124 -3.228 -0.000) 13.515 23.865 ( 6.814 0.358 0.000) 6.823 23.865 ( 7.043 2.046 0.000) 7.334 23.911 ( 6.220 -2.358 -0.000) 6.652 24.085 ( 9.146 -5.993 -0.000) 10.935 24.090 ( 0.917 9.484 0.000) 9.528 24.266 ( -2.046 5.283 0.000) 5.665 24.411 ( -1.036 0.454 0.000) 1.132 24.447 ( -0.210 1.071 0.000) 1.091 26.395 ( -6.887 -4.459 0.000) 8.204 26.477 ( 5.749 -10.946 -0.000) 12.364 26.488 ( -5.418 2.939 0.000) 6.164 26.842 ( -12.671 8.315 0.000) 15.155 27.171 ( 3.201 -20.554 -0.000) 20.802 27.638 ( -22.557 6.949 0.000) 23.603 27.947 ( -11.494 -7.337 0.000) 13.636 27.950 ( -8.158 -8.540 -0.000) 11.810 28.385 ( -16.454 -20.534 -0.000) 26.313 28.572 ( -26.411 -15.835 0.000) 30.794 29.636 ( 15.906 18.900 0.000) 24.703 29.692 ( 22.694 12.898 -0.000) 26.104 30.060 ( 9.254 6.149 -0.000) 11.110 30.260 ( 10.755 12.202 0.000) 16.265 30.501 ( 16.368 -5.628 -0.000) 17.308 30.821 ( -3.330 15.230 0.000) 15.590 ======================= Grid point 139 (28/45) ======================= q-point: (-0.33 0.44 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.068 ( 65.769 -25.626 8.202) 71.060 6.206 ( 69.130 -27.696 15.458) 76.059 8.465 ( -28.272 50.561 -3.555) 58.038 8.805 ( -25.652 50.212 -0.047) 56.385 9.083 ( -21.010 10.976 -33.286) 40.864 9.142 ( 87.841 -32.286 17.180) 95.150 9.685 ( -15.209 -2.744 -36.935) 40.038 9.883 ( -11.208 8.951 -12.952) 19.326 10.275 ( -5.255 7.793 -27.561) 29.120 10.694 ( -11.082 -4.048 10.246) 15.626 11.021 ( -12.470 4.182 21.559) 25.254 11.198 ( -15.975 -8.062 18.878) 26.011 11.538 ( -10.915 -5.668 18.439) 22.165 11.683 ( -13.152 -23.697 3.408) 27.315 11.766 ( -14.838 -0.163 10.112) 17.957 12.091 ( -16.341 -15.866 3.229) 23.004 12.197 ( -14.573 -22.054 3.021) 26.605 12.400 ( -13.085 -12.501 3.258) 18.388 12.552 ( -27.227 -4.855 11.985) 30.141 12.664 ( -23.364 38.322 3.735) 45.038 12.945 ( -21.148 -12.417 -0.351) 24.526 13.048 ( -25.863 -5.510 15.157) 30.479 13.589 ( 12.350 10.820 -4.643) 17.063 13.872 ( -20.785 -7.422 -23.612) 32.321 13.896 ( 11.976 11.920 -17.032) 23.992 14.275 ( 8.737 5.470 1.551) 10.424 14.333 ( 6.664 -1.712 -4.092) 8.005 14.454 ( 7.693 -5.262 9.123) 13.042 14.557 ( 10.680 0.453 4.560) 11.622 14.678 ( 8.377 -7.325 -1.865) 11.283 14.735 ( 11.973 -1.598 7.380) 14.155 14.938 ( 11.037 -4.832 -11.069) 16.361 15.098 ( 5.523 -0.555 -3.991) 6.837 15.271 ( 7.513 -0.630 -8.780) 11.573 15.337 ( 12.791 0.975 4.966) 13.756 15.452 ( 9.580 -8.412 1.076) 12.795 15.522 ( 1.269 4.035 6.661) 7.890 15.774 ( 10.025 -0.707 -3.531) 10.653 15.941 ( 6.800 -10.580 3.094) 12.952 16.005 ( -5.000 -4.514 15.655) 17.042 16.168 ( -2.601 -0.241 11.372) 11.668 16.374 ( -5.338 4.348 -2.532) 7.336 16.620 ( -1.431 -0.088 -3.307) 3.605 16.764 ( -5.146 -1.859 5.624) 7.846 16.927 ( 10.445 10.122 1.815) 14.657 17.096 ( -3.084 1.623 -2.620) 4.360 17.142 ( 2.698 4.123 -0.422) 4.946 17.374 ( 9.568 2.113 -2.725) 10.170 17.389 ( 0.607 2.987 -0.604) 3.107 17.621 ( 3.151 -1.509 -5.173) 6.242 17.744 ( 1.070 0.589 -5.883) 6.009 17.755 ( 4.439 -0.987 -4.521) 6.412 17.908 ( -3.652 5.834 0.661) 6.914 18.073 ( -1.096 7.813 -1.774) 8.086 18.092 ( -1.290 -0.403 -8.019) 8.132 18.208 ( 0.567 6.169 -4.954) 7.932 18.446 ( -1.463 -0.017 1.901) 2.399 18.515 ( -1.313 0.067 -4.547) 4.734 18.536 ( 0.840 -3.810 5.465) 6.715 18.760 ( -1.376 4.957 -4.873) 7.086 18.922 ( 1.025 -1.569 -0.910) 2.083 19.006 ( 7.823 -3.467 2.253) 8.849 19.127 ( -0.278 -6.423 1.198) 6.539 19.185 ( -0.393 3.877 1.328) 4.117 19.250 ( -10.508 -4.177 5.570) 12.605 19.313 ( -13.141 -2.769 6.280) 14.825 19.496 ( 2.094 -2.482 -5.283) 6.202 19.620 ( -3.316 2.943 -8.796) 9.850 19.721 ( -4.977 -2.295 -5.311) 7.632 19.857 ( 14.363 -3.153 0.190) 14.706 19.934 ( 12.956 4.827 -1.781) 13.940 20.102 ( 2.217 11.231 3.542) 11.984 20.291 ( 13.001 7.608 1.904) 15.183 20.396 ( 6.395 10.069 10.561) 15.931 20.641 ( 9.153 -11.340 -3.655) 15.025 20.836 ( -0.716 0.389 -2.793) 2.909 21.008 ( -4.942 2.089 -2.061) 5.748 21.033 ( -3.623 -2.546 -2.813) 5.246 21.086 ( -9.930 -0.005 3.804) 10.634 21.297 ( -10.897 -4.015 7.900) 14.045 21.474 ( 3.963 0.004 -4.083) 5.690 21.536 ( -17.478 -6.998 0.112) 18.827 21.578 ( -6.199 6.913 -2.117) 9.524 21.724 ( -3.026 2.228 -2.713) 4.635 21.827 ( -0.048 -1.489 6.879) 7.038 22.016 ( 3.951 1.155 -1.865) 4.519 22.193 ( -5.530 -1.702 -1.750) 6.045 22.275 ( 4.548 1.119 9.321) 10.431 22.555 ( -2.017 -4.879 -1.095) 5.391 22.599 ( 2.460 -1.439 0.359) 2.873 22.714 ( 5.261 1.627 2.411) 6.011 22.766 ( 3.073 -0.849 2.129) 3.834 23.044 ( -3.263 -2.383 -8.045) 9.003 23.502 ( 12.867 -2.309 -0.935) 13.106 23.679 ( 15.860 3.047 -0.889) 16.174 23.704 ( 12.678 -1.319 -1.467) 12.830 23.814 ( 6.189 3.368 -2.445) 7.458 23.864 ( 8.464 2.924 -1.774) 9.129 23.965 ( 9.998 4.797 -0.237) 11.091 24.029 ( 8.940 -3.893 3.527) 10.369 24.154 ( 5.039 3.046 -4.247) 7.260 24.307 ( -0.602 3.692 -2.242) 4.362 24.416 ( -2.527 2.106 -2.178) 3.945 24.461 ( 0.410 -0.071 0.272) 0.497 26.320 ( 0.815 -8.396 4.218) 9.431 26.400 ( -5.063 -6.119 3.325) 8.610 26.591 ( -5.215 2.173 4.636) 7.308 26.902 ( -11.174 -3.697 0.986) 11.811 27.028 ( -7.242 -7.998 11.492) 15.763 27.705 ( -22.505 -3.159 4.470) 23.161 27.794 ( -14.175 -4.604 -2.662) 15.140 27.938 ( -15.508 -6.654 7.368) 18.413 28.166 ( -19.710 -12.344 3.405) 23.504 28.374 ( -25.038 -10.582 0.161) 27.182 29.775 ( 21.337 10.235 -7.990) 24.978 29.874 ( 16.967 13.935 -1.747) 22.025 30.123 ( 12.972 6.257 -4.640) 15.131 30.403 ( 17.869 -0.257 -3.820) 18.275 30.414 ( 14.529 6.981 -1.424) 16.182 30.969 ( -2.341 13.167 -7.666) 15.415 ======================= Grid point 140 (29/45) ======================= q-point: (-0.22 0.44 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.074 ( 65.977 -7.813 26.125) 71.390 6.209 ( 69.229 -15.290 27.801) 76.154 8.443 ( -27.309 2.040 -50.493) 57.441 8.781 ( -33.121 3.174 -50.156) 60.189 9.046 ( 39.507 5.075 7.076) 40.455 9.203 ( 33.489 8.303 14.332) 37.361 9.735 ( -18.354 45.139 5.649) 49.054 9.823 ( -7.154 6.540 -14.430) 17.383 10.298 ( -6.711 25.529 -5.564) 26.976 10.641 ( -11.109 -14.543 2.554) 18.477 11.173 ( -10.211 -7.673 -5.518) 13.914 11.213 ( -18.681 -24.199 8.708) 31.787 11.491 ( -8.643 -4.089 10.052) 13.874 11.710 ( -18.525 -15.640 27.471) 36.639 11.782 ( -13.925 -18.693 0.853) 23.325 11.920 ( -9.715 -3.425 12.912) 16.518 12.080 ( -20.862 -10.517 0.476) 23.368 12.393 ( -10.676 0.686 5.280) 11.930 12.571 ( -19.517 -4.672 -0.001) 20.068 12.785 ( -28.098 -10.412 7.758) 30.953 13.002 ( -26.827 -2.025 13.427) 30.068 13.263 ( -31.987 -8.579 -17.687) 37.545 13.567 ( -5.655 28.686 10.778) 31.161 13.787 ( 1.080 8.398 -8.016) 11.660 13.829 ( 7.892 19.086 -10.061) 22.973 14.181 ( 13.248 -2.884 -5.260) 14.543 14.308 ( 15.297 -12.446 -6.551) 20.780 14.414 ( 8.651 -10.557 1.395) 13.720 14.554 ( 7.046 0.787 10.082) 12.325 14.679 ( 13.186 -0.762 10.370) 16.793 14.750 ( 12.973 -6.787 -6.686) 16.096 14.917 ( 9.989 5.368 0.936) 11.379 15.021 ( 7.968 -2.294 6.177) 10.340 15.216 ( 3.114 2.599 -1.216) 4.234 15.411 ( 14.303 -3.370 1.579) 14.780 15.507 ( 11.841 7.573 4.213) 14.673 15.630 ( 2.058 5.642 -0.378) 6.017 15.741 ( 12.188 -1.988 6.724) 14.061 15.930 ( -9.552 0.531 4.776) 10.692 16.065 ( -4.651 -1.058 -0.147) 4.772 16.291 ( -2.042 -6.332 -5.922) 8.907 16.320 ( -2.737 -3.200 6.850) 8.041 16.610 ( 2.069 -1.618 -3.804) 4.623 16.730 ( -5.241 -10.019 12.041) 16.518 17.039 ( -0.079 0.388 -0.347) 0.527 17.051 ( -1.838 -0.004 -4.054) 4.451 17.150 ( 10.801 7.847 -9.074) 16.142 17.348 ( 7.553 -2.248 -3.270) 8.532 17.402 ( 0.822 2.730 -2.922) 4.083 17.519 ( -1.750 0.096 -3.993) 4.361 17.676 ( 4.425 3.889 -0.678) 5.931 17.765 ( 3.456 2.939 -4.789) 6.597 17.890 ( 6.883 -3.056 -8.385) 11.270 18.087 ( -0.578 12.074 1.949) 12.244 18.180 ( -2.600 9.040 1.445) 9.516 18.279 ( -8.992 8.169 -6.952) 13.997 18.429 ( -0.057 -2.784 -1.410) 3.121 18.491 ( -0.806 -1.472 4.021) 4.357 18.576 ( -3.099 0.439 2.045) 3.739 18.771 ( 3.230 6.658 -5.112) 8.994 18.896 ( -1.131 -2.243 1.401) 2.876 18.949 ( 7.413 -5.555 2.091) 9.496 19.099 ( 0.787 -1.538 2.422) 2.975 19.216 ( 2.589 -3.140 2.997) 5.054 19.264 ( -8.263 -5.884 1.347) 10.233 19.336 ( -3.324 -4.704 1.320) 5.909 19.386 ( -2.837 -1.067 -0.889) 3.158 19.568 ( -3.671 4.001 -3.671) 6.554 19.639 ( -5.251 -0.527 -2.539) 5.856 19.807 ( 6.505 -1.810 -2.398) 7.166 20.006 ( 14.744 6.546 1.777) 16.229 20.200 ( 9.255 5.959 -10.832) 15.443 20.415 ( 6.870 1.831 1.021) 7.183 20.484 ( 11.830 -4.423 0.747) 12.652 20.654 ( 3.350 5.942 2.943) 7.429 20.766 ( -0.591 2.669 -2.009) 3.393 20.937 ( -10.330 -5.177 -3.615) 12.107 21.031 ( -1.913 0.258 2.189) 2.919 21.127 ( -9.845 -2.738 6.486) 12.103 21.273 ( 0.808 -0.597 -2.672) 2.854 21.417 ( -17.901 -1.517 -3.314) 18.268 21.491 ( -7.672 -8.961 -1.010) 11.840 21.584 ( -1.235 1.830 3.279) 3.953 21.729 ( 1.006 3.094 -0.519) 3.294 21.882 ( -4.424 0.866 0.379) 4.524 22.050 ( 1.072 1.468 0.492) 1.883 22.165 ( -1.963 1.901 0.927) 2.885 22.337 ( 0.083 -8.722 1.152) 8.798 22.513 ( 2.718 3.232 4.015) 5.827 22.619 ( -1.069 -2.709 3.079) 4.238 22.720 ( 4.369 -1.110 -4.552) 6.407 22.821 ( 3.685 0.290 6.752) 7.697 22.896 ( -0.338 -0.855 -6.891) 6.952 23.467 ( 13.791 1.215 1.307) 13.906 23.647 ( 11.029 -3.117 -0.845) 11.492 23.742 ( 19.568 3.896 1.583) 20.014 23.881 ( 3.851 6.383 -0.340) 7.462 23.920 ( 8.115 5.681 -1.873) 10.081 23.998 ( 9.374 1.181 2.086) 9.675 24.059 ( 8.927 1.496 -3.630) 9.752 24.083 ( 3.154 -1.284 -3.234) 4.696 24.310 ( -0.497 3.114 -4.886) 5.815 24.404 ( -2.404 0.850 -1.733) 3.083 24.444 ( 0.646 -1.867 -0.321) 2.001 26.304 ( 1.553 -5.311 7.414) 9.251 26.353 ( -8.344 -7.458 3.873) 11.842 26.625 ( 2.818 -1.727 2.089) 3.910 26.865 ( -18.300 -3.864 -1.021) 18.731 27.122 ( -4.056 -5.146 14.043) 15.497 27.670 ( -25.009 -2.786 -1.739) 25.224 27.793 ( -13.998 -1.444 6.510) 15.505 27.928 ( -14.762 -7.604 7.017) 18.027 28.189 ( -19.993 -1.967 14.434) 24.737 28.358 ( -24.364 -0.877 8.345) 25.769 29.734 ( 21.673 4.762 -12.618) 25.526 29.966 ( 15.539 9.742 -10.824) 21.296 30.091 ( 12.486 0.990 -5.616) 13.726 30.294 ( 18.447 -0.938 -6.867) 19.706 30.516 ( 15.770 5.770 -0.139) 16.793 30.958 ( -2.803 7.091 -14.063) 15.997 ======================= Grid point 141 (30/45) ======================= q-point: (-0.11 0.44 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.465 ( 61.034 -0.000 34.427) 70.074 6.577 ( 63.130 -0.000 41.051) 75.303 7.720 ( -32.088 -0.000 -54.292) 63.066 7.998 ( -41.538 -0.000 -57.908) 71.265 9.316 ( 16.420 -0.000 7.247) 17.948 9.493 ( -5.229 -0.000 -8.368) 9.867 9.666 ( 57.387 -0.000 35.978) 67.732 10.425 ( -8.769 0.000 2.725) 9.182 10.445 ( -8.976 0.000 -0.273) 8.980 10.539 ( -8.929 0.000 5.646) 10.564 10.941 ( -8.276 0.000 -5.465) 9.918 11.105 ( -4.806 0.000 -1.229) 4.960 11.193 ( -22.837 -0.000 -27.074) 35.420 11.364 ( -15.815 -0.000 -30.495) 34.352 12.035 ( -18.137 0.000 11.570) 21.513 12.040 ( -16.743 0.000 21.660) 27.377 12.180 ( -4.785 0.000 23.646) 24.125 12.481 ( -9.236 0.000 6.774) 11.454 12.588 ( -20.053 0.000 5.848) 20.888 12.817 ( -15.137 0.000 4.252) 15.723 13.189 ( -29.693 0.000 10.924) 31.639 13.198 ( -24.228 0.000 15.013) 28.503 13.649 ( -0.513 -0.000 -10.989) 11.001 13.799 ( 18.026 -0.000 -4.859) 18.669 13.966 ( 8.808 -0.000 -12.202) 15.049 14.088 ( 15.723 -0.000 -8.672) 17.956 14.096 ( -5.066 0.000 15.176) 15.999 14.456 ( 8.557 -0.000 7.425) 11.329 14.580 ( 11.118 -0.000 -6.228) 12.743 14.694 ( 12.421 -0.000 -0.496) 12.431 14.795 ( -2.489 -0.000 -5.201) 5.766 14.835 ( 9.850 0.000 10.908) 14.697 15.256 ( 8.958 0.000 14.463) 17.012 15.263 ( -0.215 0.000 3.973) 3.979 15.384 ( 8.415 -0.000 -0.772) 8.450 15.563 ( 16.902 -0.000 0.778) 16.920 15.786 ( -3.039 0.000 6.417) 7.100 15.814 ( 4.683 0.000 6.014) 7.622 16.030 ( -25.063 0.000 5.780) 25.721 16.043 ( 6.422 -0.000 -7.906) 10.185 16.111 ( -19.706 0.000 3.840) 20.077 16.322 ( 2.891 -0.000 -2.763) 3.999 16.489 ( 1.912 -0.000 -1.977) 2.750 16.846 ( 6.947 -0.000 4.922) 8.514 16.936 ( 2.527 -0.000 -16.422) 16.615 16.947 ( -8.517 -0.000 -9.204) 12.540 17.059 ( 5.821 -0.000 -7.054) 9.145 17.262 ( 8.203 -0.000 -6.237) 10.305 17.354 ( 10.359 -0.000 -10.045) 14.430 17.479 ( 6.928 -0.000 -7.077) 9.904 17.704 ( 3.073 -0.000 1.900) 3.613 17.782 ( 3.449 -0.000 -3.884) 5.194 17.797 ( 6.888 0.000 7.811) 10.414 18.141 ( -8.094 -0.000 -12.703) 15.063 18.266 ( -4.313 0.000 0.971) 4.421 18.266 ( 2.130 -0.000 0.207) 2.140 18.445 ( -0.630 0.000 5.255) 5.292 18.547 ( -2.313 0.000 4.747) 5.280 18.630 ( -6.209 0.000 3.028) 6.908 18.777 ( -0.055 -0.000 -1.731) 1.732 18.906 ( 3.189 0.000 3.597) 4.807 19.020 ( 1.666 0.000 14.143) 14.241 19.123 ( -1.457 0.000 0.453) 1.526 19.124 ( -2.061 -0.000 -5.472) 5.847 19.240 ( -4.537 0.000 3.507) 5.735 19.327 ( -3.038 0.000 4.075) 5.083 19.431 ( -0.086 0.000 5.765) 5.766 19.534 ( 4.825 -0.000 -4.478) 6.583 19.642 ( -4.673 0.000 0.883) 4.756 19.763 ( 8.460 -0.000 -3.039) 8.989 20.015 ( 9.119 -0.000 -16.057) 18.466 20.103 ( 4.596 -0.000 -4.193) 6.221 20.318 ( 8.993 -0.000 -6.553) 11.127 20.459 ( 10.694 -0.000 0.320) 10.699 20.743 ( -10.632 0.000 -2.316) 10.881 20.798 ( -5.204 0.000 3.510) 6.277 20.858 ( 3.072 -0.000 0.241) 3.081 21.024 ( -4.813 0.000 -3.066) 5.707 21.174 ( -2.070 -0.000 -12.652) 12.820 21.222 ( -6.760 0.000 5.421) 8.665 21.356 ( 3.567 0.000 5.042) 6.176 21.456 ( -12.152 0.000 9.227) 15.258 21.708 ( 3.261 -0.000 -1.413) 3.555 21.761 ( -9.162 0.000 10.370) 13.837 21.871 ( -4.997 0.000 -3.758) 6.252 22.011 ( 0.939 -0.000 -5.604) 5.683 22.173 ( 1.168 -0.000 0.542) 1.288 22.310 ( -4.486 0.000 2.888) 5.335 22.588 ( 1.770 -0.000 -4.048) 4.418 22.596 ( 7.315 -0.000 0.955) 7.377 22.684 ( -1.224 0.000 3.485) 3.693 22.818 ( -0.347 -0.000 -4.359) 4.373 22.940 ( 1.825 0.000 11.139) 11.287 23.502 ( 9.344 -0.000 -3.203) 9.878 23.620 ( 7.810 -0.000 0.983) 7.872 23.809 ( 15.371 -0.000 2.967) 15.655 23.897 ( 3.978 -0.000 -9.561) 10.356 23.919 ( 6.638 -0.000 -1.939) 6.916 23.953 ( 5.450 -0.000 -4.882) 7.317 24.018 ( -2.261 -0.000 -3.704) 4.339 24.108 ( 9.485 -0.000 5.532) 10.980 24.247 ( -2.688 -0.000 -6.417) 6.957 24.414 ( -1.091 0.000 0.224) 1.114 24.421 ( 0.945 -0.000 0.664) 1.155 26.354 ( -6.002 0.000 5.306) 8.011 26.382 ( 0.673 0.000 8.822) 8.848 26.633 ( 6.920 -0.000 2.252) 7.278 26.774 ( -18.132 0.000 -6.504) 19.263 27.284 ( 3.968 0.000 15.473) 15.974 27.579 ( -26.106 0.000 -7.630) 27.198 27.906 ( -8.970 0.000 9.934) 13.384 27.978 ( -10.033 0.000 7.362) 12.445 28.453 ( -17.372 0.000 22.922) 28.761 28.507 ( -25.058 0.000 12.738) 28.110 29.573 ( 21.057 -0.000 -15.043) 25.878 29.798 ( 15.696 -0.000 -20.650) 25.938 30.051 ( 7.533 -0.000 -3.057) 8.129 30.192 ( 15.700 -0.000 -7.316) 17.321 30.568 ( 15.804 -0.000 2.063) 15.938 30.795 ( -4.777 -0.000 -15.754) 16.463 ======================= Grid point 147 (31/45) ======================= q-point: (-0.44 0.56 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.233 ( 40.174 -12.727 2.964) 42.246 7.267 ( -15.364 43.451 3.642) 46.231 7.576 ( 49.787 -15.852 7.494) 52.784 7.615 ( -12.897 48.613 9.439) 51.173 8.887 ( -6.619 -8.004 -39.804) 41.136 9.592 ( 6.959 4.114 -6.028) 10.084 9.667 ( -12.932 -9.791 -48.726) 51.355 10.190 ( 1.052 1.407 -28.808) 28.861 10.564 ( 1.945 -8.711 19.092) 21.075 10.726 ( -12.579 31.259 18.752) 38.562 10.920 ( 41.516 -12.971 15.115) 46.047 11.153 ( -15.445 -4.900 26.656) 31.195 11.171 ( 6.575 7.761 11.355) 15.245 11.560 ( -4.273 -0.066 21.650) 22.068 11.820 ( -13.890 -21.975 9.886) 27.813 11.855 ( -24.519 -4.000 2.573) 24.976 12.105 ( -23.255 -12.723 2.896) 26.666 12.220 ( -11.574 -15.095 -4.103) 19.459 12.377 ( -8.180 -18.008 4.870) 20.370 12.615 ( -13.502 -23.861 10.151) 29.236 12.893 ( -18.465 -19.994 0.776) 27.227 12.919 ( -22.383 -23.890 14.904) 35.970 13.652 ( 13.786 7.867 -4.869) 16.603 13.694 ( -20.972 -11.468 -32.408) 40.270 13.876 ( 8.337 11.829 -19.190) 24.035 14.261 ( 6.885 10.601 3.727) 13.178 14.377 ( 8.017 9.835 1.321) 12.757 14.480 ( 1.497 2.806 13.176) 13.555 14.736 ( 1.162 1.956 -0.620) 2.358 14.797 ( 7.337 4.049 6.613) 10.675 14.835 ( 10.539 6.293 -1.356) 12.350 14.972 ( -1.664 9.645 -2.175) 10.026 15.143 ( -0.132 -7.221 -6.973) 10.039 15.319 ( -12.798 3.984 -1.149) 13.452 15.485 ( 4.542 -2.316 2.125) 5.523 15.570 ( 0.116 -6.406 -6.112) 8.855 15.671 ( 0.736 -17.349 2.954) 17.615 15.747 ( 9.279 12.707 -4.012) 16.238 15.937 ( -5.567 3.167 4.485) 7.819 16.079 ( -3.040 1.729 9.061) 9.713 16.192 ( 3.298 4.558 5.846) 8.113 16.342 ( 5.746 -3.157 -2.398) 6.981 16.605 ( 1.930 2.582 6.982) 7.690 16.811 ( 6.014 -6.297 4.462) 9.784 16.927 ( -6.729 2.942 0.278) 7.349 17.024 ( 6.410 3.183 5.495) 9.023 17.149 ( 12.106 10.700 -3.408) 16.512 17.303 ( 0.933 1.567 0.135) 1.829 17.487 ( 9.480 16.112 -12.137) 22.289 17.559 ( -1.938 5.521 -2.514) 6.368 17.723 ( 3.326 3.102 -5.453) 7.101 17.796 ( 2.033 -4.569 0.466) 5.022 17.878 ( -2.459 6.374 -5.100) 8.525 18.010 ( 3.544 -3.402 -8.447) 9.772 18.092 ( -0.161 -6.358 -2.856) 6.972 18.246 ( -1.108 1.689 -6.633) 6.934 18.363 ( 0.260 -0.460 -7.264) 7.283 18.522 ( -1.133 -1.774 -1.422) 2.540 18.569 ( -3.631 -3.163 5.936) 7.644 18.729 ( 1.473 -0.897 -5.025) 5.313 18.967 ( -4.104 1.532 5.527) 7.053 19.025 ( -4.262 -2.398 1.488) 5.112 19.150 ( 5.131 -2.718 4.466) 7.325 19.166 ( -7.468 -1.086 8.993) 11.740 19.228 ( -2.153 -4.566 4.983) 7.093 19.255 ( -0.532 -6.082 1.988) 6.421 19.443 ( -11.025 0.935 -4.360) 11.892 19.552 ( -1.722 -1.916 -3.262) 4.156 19.662 ( 1.001 8.699 -0.899) 8.803 19.862 ( 2.970 9.857 -1.374) 10.386 20.090 ( 9.256 1.018 -6.429) 11.316 20.162 ( 16.233 11.023 -3.113) 19.867 20.393 ( 8.475 -2.294 -0.549) 8.797 20.485 ( 14.111 -1.867 5.160) 15.140 20.691 ( -7.727 9.928 -4.339) 13.308 20.820 ( 1.615 0.390 -6.221) 6.439 20.914 ( -6.751 4.415 7.083) 10.735 21.037 ( 5.827 -2.762 5.480) 8.462 21.050 ( 2.315 -3.964 -5.569) 7.217 21.187 ( -6.124 -1.383 4.413) 7.674 21.386 ( -12.901 -3.663 4.009) 13.997 21.439 ( -7.743 -5.572 6.644) 11.625 21.598 ( -0.722 -3.661 -1.874) 4.176 21.681 ( 0.689 -2.839 -8.581) 9.064 21.872 ( -0.673 -0.989 9.672) 9.746 22.049 ( 1.082 -0.587 1.780) 2.164 22.152 ( -2.277 -1.865 -5.871) 6.567 22.312 ( 2.204 -0.363 8.631) 8.916 22.576 ( -3.704 -3.741 -0.420) 5.281 22.638 ( 4.408 4.639 -2.748) 6.965 22.729 ( 1.764 2.841 3.153) 4.596 22.806 ( 1.567 -1.848 0.694) 2.520 22.972 ( -4.646 4.238 -4.535) 7.753 23.599 ( 5.270 7.890 -2.366) 9.779 23.728 ( 3.689 5.856 -0.400) 6.933 23.840 ( 9.681 2.138 -7.890) 12.671 23.920 ( 8.126 3.087 -2.101) 8.943 23.970 ( 6.625 1.768 -3.923) 7.900 23.998 ( 8.886 6.709 -2.230) 11.355 24.068 ( 0.295 9.939 -2.583) 10.274 24.198 ( 5.573 -0.321 -1.215) 5.713 24.225 ( -0.420 5.298 -0.657) 5.355 24.377 ( -1.139 -0.955 -2.411) 2.833 24.457 ( 0.182 1.194 1.121) 1.648 26.330 ( -7.184 -6.372 6.857) 11.800 26.429 ( -10.445 -0.139 6.944) 12.543 26.579 ( 0.436 -15.384 5.792) 16.444 26.757 ( -5.096 3.819 5.289) 8.278 27.262 ( 1.047 -22.108 6.369) 23.031 27.377 ( -20.120 -0.045 7.100) 21.336 27.740 ( -12.267 -12.621 -2.148) 17.731 27.886 ( -11.047 -10.689 7.720) 17.202 28.165 ( -15.759 -20.204 -0.311) 25.625 28.231 ( -21.211 -17.296 1.639) 27.417 29.826 ( 16.148 19.551 -4.666) 25.783 29.946 ( 19.483 13.304 -7.085) 24.633 30.157 ( 8.206 9.914 -3.346) 13.298 30.407 ( 11.066 15.541 -0.297) 19.081 30.699 ( 17.446 -3.136 -5.984) 18.709 30.741 ( -1.400 15.654 -6.849) 17.144 ======================= Grid point 149 (32/45) ======================= q-point: (-0.33 0.56 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.088 ( 58.209 -14.175 15.203) 61.809 7.360 ( 60.339 -18.407 17.419) 65.445 8.093 ( -18.126 44.431 -1.962) 48.026 8.142 ( -14.979 -3.717 -45.918) 48.442 8.646 ( -20.087 57.597 9.991) 61.812 8.664 ( -21.488 -6.703 -53.604) 58.138 9.732 ( 10.968 9.883 -10.785) 18.283 9.917 ( 1.332 18.256 -17.632) 25.415 10.702 ( 46.672 -22.688 27.953) 58.944 10.766 ( 10.262 -20.569 11.936) 25.901 11.146 ( -12.998 -8.253 13.865) 20.720 11.187 ( -10.584 -10.595 10.941) 18.547 11.450 ( 0.649 -2.948 8.039) 8.587 11.716 ( -12.472 -18.535 16.072) 27.521 11.882 ( -9.240 -11.639 9.245) 17.502 11.892 ( -17.190 -10.402 12.473) 23.649 12.057 ( -14.746 -29.193 6.970) 33.440 12.148 ( -19.892 -1.760 -5.604) 20.741 12.436 ( -25.832 25.564 21.111) 42.030 12.554 ( -26.507 -4.099 -18.806) 32.758 12.595 ( -12.197 -9.868 21.005) 26.217 12.882 ( -32.995 -5.198 6.352) 34.001 13.038 ( -25.581 -14.467 2.278) 29.476 13.727 ( 13.724 14.059 -8.023) 21.222 13.792 ( 11.371 12.650 -17.855) 24.661 14.295 ( 9.638 7.533 -8.602) 14.954 14.575 ( 8.992 0.817 3.287) 9.608 14.628 ( 7.203 -5.010 2.769) 9.200 14.720 ( 3.221 -8.077 1.967) 8.915 14.839 ( 9.437 -1.572 7.106) 11.917 14.942 ( 6.461 0.712 -0.131) 6.501 14.964 ( 6.709 4.368 -5.244) 9.570 15.080 ( -4.885 5.118 -2.183) 7.404 15.191 ( 2.471 -9.661 -0.643) 9.993 15.425 ( -11.768 4.496 1.698) 12.712 15.589 ( 4.749 -5.260 2.979) 7.687 15.653 ( 2.122 2.281 4.537) 5.503 15.808 ( 9.440 9.309 -9.349) 16.222 15.990 ( 0.783 -5.021 1.283) 5.241 16.146 ( 11.134 -6.929 1.217) 13.170 16.259 ( -3.915 0.078 0.354) 3.932 16.316 ( 1.184 6.533 -0.596) 6.666 16.682 ( 4.834 0.122 4.458) 6.577 16.825 ( -4.071 -2.618 2.118) 5.284 16.951 ( -5.360 -8.394 4.183) 10.802 17.117 ( 7.132 -0.143 2.741) 7.641 17.250 ( 9.222 1.508 -6.210) 11.220 17.318 ( 1.567 10.380 0.505) 10.510 17.472 ( 13.031 5.480 -9.273) 16.907 17.551 ( -2.496 -8.322 -9.774) 13.077 17.644 ( 0.998 9.166 -0.553) 9.237 17.759 ( 4.403 1.832 0.022) 4.769 17.811 ( -10.475 6.165 -0.297) 12.159 17.929 ( -5.614 7.692 -9.737) 13.620 18.115 ( 7.366 6.007 -1.163) 9.576 18.157 ( 5.230 -1.284 -6.109) 8.144 18.326 ( -6.302 8.504 -6.439) 12.389 18.528 ( 2.874 -3.619 4.885) 6.724 18.595 ( 1.148 -1.401 -0.780) 1.972 18.671 ( -4.041 4.661 -2.622) 6.703 18.982 ( 3.478 -7.746 5.382) 10.053 19.093 ( -0.956 -6.113 1.204) 6.304 19.150 ( -6.600 1.899 7.534) 10.194 19.205 ( 2.535 -3.259 4.021) 5.764 19.215 ( -8.081 -7.085 6.524) 12.572 19.297 ( -6.675 -0.986 -1.862) 7.000 19.357 ( -4.168 -1.959 1.817) 4.950 19.489 ( -4.839 2.163 -5.077) 7.340 19.697 ( 10.304 -0.526 -0.556) 10.332 19.941 ( 5.818 -4.324 -6.535) 9.760 20.022 ( 2.433 12.764 -2.401) 13.214 20.236 ( 17.381 11.194 -8.303) 22.278 20.425 ( 5.948 5.183 -0.233) 7.893 20.534 ( 1.464 6.240 -5.504) 8.448 20.718 ( 5.258 -3.271 -1.184) 6.305 20.779 ( 1.385 1.894 -0.560) 2.412 20.889 ( -5.895 2.219 -3.188) 7.060 21.023 ( 4.725 -7.353 3.476) 9.406 21.122 ( -0.001 -1.026 7.259) 7.331 21.251 ( -8.754 -0.153 2.030) 8.988 21.335 ( -7.837 -9.707 3.149) 12.867 21.415 ( -5.109 -6.154 -1.848) 8.209 21.516 ( -10.569 6.171 4.026) 12.884 21.690 ( 2.978 -1.685 0.436) 3.450 21.947 ( 0.835 -6.264 5.975) 8.697 22.031 ( 1.536 2.167 -0.688) 2.744 22.080 ( -4.713 1.839 -2.789) 5.777 22.439 ( -1.000 -3.854 6.354) 7.498 22.497 ( -3.988 -3.906 2.069) 5.954 22.662 ( 5.539 2.141 -1.782) 6.200 22.783 ( 3.473 -0.662 -0.432) 3.562 22.827 ( 1.696 2.860 2.062) 3.913 22.906 ( 1.791 3.308 -9.121) 9.867 23.622 ( 9.888 0.863 -3.457) 10.511 23.726 ( 1.893 6.699 -5.063) 8.608 23.879 ( 9.775 4.576 1.112) 10.850 23.904 ( 11.046 1.749 -6.131) 12.754 23.958 ( 8.324 5.988 -3.089) 10.709 24.049 ( 8.310 6.808 -5.471) 12.055 24.099 ( 1.268 4.685 -7.611) 9.026 24.181 ( 7.930 0.040 0.277) 7.935 24.259 ( 0.172 3.264 -3.757) 4.980 24.346 ( -2.883 1.655 -1.687) 3.728 24.470 ( 0.885 0.083 -0.385) 0.968 26.343 ( -6.750 -7.694 8.374) 13.224 26.436 ( -3.293 -13.500 7.967) 16.018 26.573 ( -13.250 -2.321 8.387) 15.852 26.809 ( -4.117 -5.377 2.213) 7.124 27.187 ( -1.266 -12.647 18.419) 22.379 27.443 ( -23.659 -9.973 3.846) 25.962 27.593 ( -14.103 -1.590 3.847) 14.705 27.869 ( -12.100 -10.924 10.434) 19.355 28.019 ( -15.084 -10.122 11.225) 21.354 28.099 ( -20.738 -7.837 7.083) 23.273 29.927 ( 20.118 10.144 -11.976) 25.516 30.003 ( 14.236 14.634 -11.810) 23.586 30.199 ( 10.516 6.661 -7.346) 14.454 30.557 ( 17.350 -1.208 -9.776) 19.952 30.598 ( 13.974 12.286 0.086) 18.608 30.792 ( -1.740 12.001 -13.666) 18.270 ======================= Grid point 202 (33/45) ======================= q-point: ( 0.22 0.22 0.22) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.239 ( 33.240 33.240 33.240) 57.574 7.239 ( 33.240 33.240 33.240) 57.574 8.088 ( -13.338 -13.338 -13.338) 23.102 8.088 ( -13.338 -13.338 -13.338) 23.102 8.100 ( -12.718 -12.718 -12.718) 22.029 8.178 ( -16.933 -16.933 -16.933) 29.328 8.178 ( -16.933 -16.933 -16.933) 29.328 8.252 ( -18.935 -18.935 -18.935) 32.796 11.477 ( 54.554 54.554 54.554) 94.490 11.605 ( 7.232 7.232 7.232) 12.527 11.605 ( 7.232 7.232 7.232) 12.527 11.850 ( -1.935 -1.935 -1.935) 3.351 11.956 ( -5.577 -5.577 -5.577) 9.659 11.973 ( 5.066 5.066 5.066) 8.774 11.973 ( 5.066 5.066 5.066) 8.774 12.258 ( -7.993 -7.993 -7.993) 13.844 12.258 ( -7.993 -7.993 -7.993) 13.844 12.872 ( -9.997 -9.997 -9.997) 17.316 12.872 ( -9.997 -9.997 -9.997) 17.316 12.956 ( -11.641 -11.641 -11.641) 20.162 13.166 ( 6.398 6.398 6.398) 11.082 13.491 ( -3.695 -3.695 -3.695) 6.400 13.603 ( -10.636 -10.636 -10.636) 18.422 13.603 ( -10.636 -10.636 -10.636) 18.422 14.349 ( 14.110 14.110 14.110) 24.439 14.423 ( 11.721 11.721 11.721) 20.302 14.490 ( 6.392 6.392 6.392) 11.071 14.490 ( 6.392 6.392 6.392) 11.071 14.606 ( 1.532 1.532 1.532) 2.653 14.606 ( 1.532 1.532 1.532) 2.653 14.860 ( -2.012 -2.012 -2.012) 3.485 14.860 ( -2.012 -2.012 -2.012) 3.485 15.008 ( -2.377 -2.377 -2.377) 4.117 15.008 ( -2.377 -2.377 -2.377) 4.117 15.073 ( 1.448 1.448 1.448) 2.508 15.336 ( -9.948 -9.948 -9.948) 17.231 15.700 ( 7.942 7.942 7.942) 13.755 15.761 ( 6.528 6.528 6.528) 11.306 15.761 ( 6.528 6.528 6.528) 11.306 16.120 ( -12.496 -12.496 -12.496) 21.644 16.438 ( 3.489 3.489 3.489) 6.043 16.438 ( 3.489 3.489 3.489) 6.043 16.474 ( -0.082 -0.082 -0.082) 0.142 16.635 ( -6.943 -6.943 -6.943) 12.026 17.124 ( 4.921 4.921 4.921) 8.524 17.180 ( 3.898 3.898 3.898) 6.752 17.180 ( 3.898 3.898 3.898) 6.752 17.248 ( 2.545 2.545 2.545) 4.408 17.248 ( 2.545 2.545 2.545) 4.408 17.363 ( -3.793 -3.793 -3.793) 6.571 17.388 ( -0.385 -0.385 -0.385) 0.666 17.388 ( -0.385 -0.385 -0.385) 0.666 17.568 ( -6.672 -6.672 -6.672) 11.556 17.568 ( -6.672 -6.672 -6.672) 11.556 17.703 ( -9.603 -9.603 -9.603) 16.634 17.703 ( -9.603 -9.603 -9.603) 16.634 18.345 ( 3.556 3.556 3.556) 6.159 18.403 ( -0.152 -0.152 -0.152) 0.263 18.403 ( -0.152 -0.152 -0.152) 0.263 18.506 ( -3.839 -3.839 -3.839) 6.649 19.330 ( 4.926 4.926 4.926) 8.531 19.330 ( 4.926 4.926 4.926) 8.531 19.385 ( 3.757 3.757 3.757) 6.507 19.451 ( -2.949 -2.949 -2.949) 5.108 19.454 ( 4.460 4.460 4.460) 7.725 19.454 ( 4.460 4.460 4.460) 7.725 19.544 ( -0.609 -0.609 -0.609) 1.054 19.544 ( -0.609 -0.609 -0.609) 1.054 19.608 ( -1.796 -1.796 -1.796) 3.111 19.608 ( -1.796 -1.796 -1.796) 3.111 19.619 ( -1.812 -1.812 -1.812) 3.139 19.727 ( -9.893 -9.893 -9.893) 17.135 20.651 ( 3.621 3.621 3.621) 6.272 20.651 ( 3.621 3.621 3.621) 6.272 20.749 ( -2.262 -2.262 -2.262) 3.918 20.749 ( -2.262 -2.262 -2.262) 3.918 20.956 ( 11.539 11.539 11.539) 19.985 21.151 ( -0.266 -0.266 -0.266) 0.461 21.151 ( -0.266 -0.266 -0.266) 0.461 21.230 ( -3.406 -3.406 -3.406) 5.899 21.469 ( 4.938 4.938 4.938) 8.554 21.690 ( -3.251 -3.251 -3.251) 5.630 21.690 ( -3.251 -3.251 -3.251) 5.630 21.736 ( -6.760 -6.760 -6.760) 11.709 22.264 ( 8.795 8.795 8.795) 15.233 22.264 ( 8.795 8.795 8.795) 15.233 22.367 ( 1.314 1.314 1.314) 2.276 22.367 ( 1.314 1.314 1.314) 2.276 22.457 ( 0.693 0.693 0.693) 1.201 22.527 ( -3.927 -3.927 -3.927) 6.801 22.527 ( -3.927 -3.927 -3.927) 6.801 22.634 ( -5.938 -5.938 -5.938) 10.285 23.315 ( 1.175 1.175 1.175) 2.035 23.333 ( 0.506 0.506 0.506) 0.876 23.333 ( 0.506 0.506 0.506) 0.876 23.453 ( -3.611 -3.611 -3.611) 6.254 23.684 ( 1.965 1.965 1.965) 3.403 23.684 ( 1.965 1.965 1.965) 3.403 23.782 ( -3.334 -3.334 -3.334) 5.774 23.782 ( -3.334 -3.334 -3.334) 5.774 24.112 ( 5.592 5.592 5.592) 9.685 24.199 ( 0.865 0.865 0.865) 1.499 24.303 ( -3.946 -3.946 -3.946) 6.834 24.303 ( -3.946 -3.946 -3.946) 6.834 26.946 ( 5.773 5.773 5.773) 9.999 26.949 ( 5.660 5.660 5.660) 9.804 26.949 ( 5.660 5.660 5.660) 9.804 27.080 ( -2.601 -2.601 -2.601) 4.505 27.830 ( 9.755 9.755 9.755) 16.896 28.025 ( 0.553 0.553 0.553) 0.957 28.025 ( 0.553 0.553 0.553) 0.957 28.190 ( -8.183 -8.183 -8.183) 14.173 28.760 ( 1.322 1.322 1.322) 2.290 28.760 ( 1.322 1.322 1.322) 2.290 28.937 ( -4.760 -4.760 -4.760) 8.244 28.937 ( -4.760 -4.760 -4.760) 8.244 30.037 ( 2.786 2.786 2.786) 4.825 30.068 ( 0.919 0.919 0.919) 1.592 30.068 ( 0.919 0.919 0.919) 1.592 30.280 ( -9.630 -9.630 -9.630) 16.679 ======================= Grid point 207 (34/45) ======================= q-point: (-0.22 0.22 0.22) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.572 ( 79.406 -0.000 -0.000) 79.406 4.575 ( 79.344 -0.000 -0.000) 79.344 6.915 ( 119.751 -0.000 -0.000) 119.751 10.022 ( -26.617 0.000 0.000) 26.617 10.026 ( -23.082 0.000 0.000) 23.082 10.123 ( -25.940 0.000 0.000) 25.940 10.335 ( -25.195 0.000 0.000) 25.195 10.460 ( -33.407 0.000 0.000) 33.407 10.546 ( -31.362 0.000 0.000) 31.362 10.807 ( -24.766 0.000 0.000) 24.766 10.976 ( -28.912 0.000 0.000) 28.912 11.207 ( -18.919 0.000 0.000) 18.919 11.377 ( -14.667 0.000 0.000) 14.667 11.744 ( -18.927 0.000 0.000) 18.927 11.830 ( -11.374 0.000 0.000) 11.374 11.944 ( -11.099 0.000 0.000) 11.099 11.999 ( -14.936 0.000 0.000) 14.936 12.128 ( -10.950 0.000 0.000) 10.950 12.750 ( -11.930 0.000 0.000) 11.930 13.102 ( -32.685 0.000 0.000) 32.685 13.214 ( -30.028 0.000 0.000) 30.028 13.632 ( 9.220 -0.000 -0.000) 9.220 13.835 ( 16.580 -0.000 -0.000) 16.580 13.856 ( 18.031 -0.000 -0.000) 18.031 13.968 ( 14.257 -0.000 -0.000) 14.257 14.083 ( 16.017 -0.000 -0.000) 16.017 14.121 ( 17.632 -0.000 -0.000) 17.632 14.184 ( -0.548 0.000 0.000) 0.548 14.224 ( 7.092 -0.000 -0.000) 7.092 14.264 ( 19.271 -0.000 -0.000) 19.271 14.560 ( 6.885 -0.000 -0.000) 6.885 14.850 ( 37.302 -0.000 -0.000) 37.302 14.928 ( 18.240 -0.000 -0.000) 18.240 15.108 ( 8.861 -0.000 -0.000) 8.861 15.329 ( -16.630 0.000 0.000) 16.630 15.361 ( 11.238 -0.000 -0.000) 11.238 15.597 ( 7.031 -0.000 -0.000) 7.031 15.597 ( 5.112 -0.000 -0.000) 5.112 15.606 ( -16.301 0.000 0.000) 16.301 15.901 ( 3.002 -0.000 -0.000) 3.002 16.206 ( 19.282 -0.000 -0.000) 19.282 16.349 ( -21.285 0.000 0.000) 21.285 16.517 ( -10.811 0.000 0.000) 10.811 16.949 ( -12.398 0.000 0.000) 12.398 17.021 ( 4.912 -0.000 -0.000) 4.912 17.074 ( 7.343 -0.000 -0.000) 7.343 17.221 ( -2.590 0.000 0.000) 2.590 17.288 ( -0.180 0.000 0.000) 0.180 17.304 ( -1.808 0.000 0.000) 1.808 17.587 ( -2.779 0.000 0.000) 2.779 17.588 ( 10.240 -0.000 -0.000) 10.240 17.975 ( 9.513 -0.000 -0.000) 9.513 18.018 ( -3.703 0.000 0.000) 3.703 18.077 ( -3.194 0.000 0.000) 3.194 18.246 ( 6.066 -0.000 -0.000) 6.066 18.263 ( -5.610 0.000 0.000) 5.610 18.417 ( -7.197 0.000 0.000) 7.197 18.559 ( 0.274 -0.000 -0.000) 0.274 18.576 ( 5.851 -0.000 -0.000) 5.851 18.642 ( 20.378 -0.000 -0.000) 20.378 18.850 ( 11.104 -0.000 -0.000) 11.104 19.007 ( 3.152 -0.000 -0.000) 3.152 19.082 ( 4.632 -0.000 -0.000) 4.632 19.188 ( -14.464 0.000 0.000) 14.464 19.330 ( 5.443 -0.000 -0.000) 5.443 19.354 ( 0.271 -0.000 -0.000) 0.271 19.380 ( -10.342 0.000 0.000) 10.342 19.591 ( -2.373 0.000 0.000) 2.373 19.762 ( 20.303 -0.000 -0.000) 20.303 19.955 ( -15.629 0.000 0.000) 15.629 20.038 ( -12.867 0.000 0.000) 12.867 20.085 ( 13.594 -0.000 -0.000) 13.594 20.297 ( 4.408 -0.000 -0.000) 4.408 20.332 ( 10.320 -0.000 -0.000) 10.320 20.403 ( 1.162 -0.000 -0.000) 1.162 20.851 ( -2.334 0.000 0.000) 2.334 21.000 ( -2.908 0.000 0.000) 2.908 21.138 ( -6.295 0.000 0.000) 6.295 21.138 ( -3.348 0.000 0.000) 3.348 21.362 ( -11.644 0.000 0.000) 11.644 21.457 ( -5.243 0.000 0.000) 5.243 21.546 ( -6.255 0.000 0.000) 6.255 21.760 ( 4.530 -0.000 -0.000) 4.530 21.901 ( -8.251 0.000 0.000) 8.251 22.017 ( 4.415 -0.000 -0.000) 4.415 22.087 ( 1.155 -0.000 -0.000) 1.155 22.124 ( -3.757 0.000 0.000) 3.757 22.199 ( -7.870 0.000 0.000) 7.870 22.458 ( -3.001 0.000 0.000) 3.001 22.549 ( -4.415 0.000 0.000) 4.415 22.606 ( 7.076 -0.000 -0.000) 7.076 22.683 ( 7.436 -0.000 -0.000) 7.436 22.994 ( 3.511 -0.000 -0.000) 3.511 23.198 ( 14.549 -0.000 -0.000) 14.549 23.461 ( 21.181 -0.000 -0.000) 21.181 23.484 ( 10.938 -0.000 -0.000) 10.938 23.643 ( 15.593 -0.000 -0.000) 15.593 23.820 ( 4.319 -0.000 -0.000) 4.319 23.852 ( 20.874 -0.000 -0.000) 20.874 23.929 ( 5.086 -0.000 -0.000) 5.086 24.078 ( 8.224 -0.000 -0.000) 8.224 24.326 ( 0.045 -0.000 -0.000) 0.045 24.481 ( -2.922 0.000 0.000) 2.922 24.531 ( -2.189 0.000 0.000) 2.189 26.028 ( 14.332 -0.000 -0.000) 14.332 26.430 ( -11.405 0.000 0.000) 11.405 26.792 ( -5.771 0.000 0.000) 5.771 26.814 ( -2.049 0.000 0.000) 2.049 27.177 ( -23.645 0.000 0.000) 23.645 27.915 ( -10.408 0.000 0.000) 10.408 27.924 ( -12.342 0.000 0.000) 12.342 28.059 ( -29.500 0.000 0.000) 29.500 28.297 ( -24.784 0.000 0.000) 24.784 28.582 ( -23.842 0.000 0.000) 23.842 29.721 ( 17.410 -0.000 -0.000) 17.410 29.853 ( 13.089 -0.000 -0.000) 13.089 30.038 ( 18.782 -0.000 -0.000) 18.782 30.100 ( 19.061 -0.000 -0.000) 19.061 30.346 ( 15.772 -0.000 -0.000) 15.772 31.268 ( -2.195 0.000 0.000) 2.195 ======================= Grid point 217 (35/45) ======================= q-point: (-0.33 0.33 0.22) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.743 ( 73.905 -15.052 -0.000) 75.422 5.753 ( 74.187 -16.501 -0.000) 76.000 8.632 ( 109.431 -17.704 -0.000) 110.854 9.207 ( -23.958 49.012 0.000) 54.554 9.532 ( -30.534 46.756 0.000) 55.843 9.638 ( -22.418 12.992 0.000) 25.910 9.773 ( -16.578 10.600 0.000) 19.677 10.156 ( -24.291 -12.804 0.000) 27.460 10.386 ( -18.804 -28.082 -0.000) 33.797 10.555 ( -21.984 4.585 0.000) 22.457 10.756 ( -13.811 0.938 0.000) 13.843 11.011 ( -22.991 -24.324 -0.000) 33.470 11.153 ( -10.915 4.089 0.000) 11.655 11.572 ( -12.316 -3.405 0.000) 12.778 11.665 ( -17.998 -3.449 0.000) 18.326 11.803 ( -18.815 -16.173 0.000) 24.810 11.988 ( -14.885 -19.835 -0.000) 24.798 12.050 ( -8.425 -7.697 0.000) 11.412 12.496 ( -24.039 2.333 0.000) 24.152 12.725 ( -33.942 -12.142 0.000) 36.048 12.850 ( -26.623 -6.994 0.000) 27.526 13.319 ( -8.483 45.101 0.000) 45.892 13.842 ( 16.302 18.590 0.000) 24.725 14.084 ( -6.943 1.689 0.000) 7.145 14.168 ( 11.121 -2.830 -0.000) 11.475 14.237 ( 12.157 4.865 -0.000) 13.094 14.258 ( 9.269 1.131 -0.000) 9.338 14.361 ( 13.708 -13.446 -0.000) 19.201 14.403 ( 2.851 -16.150 -0.000) 16.400 14.573 ( 13.329 -9.495 -0.000) 16.365 14.645 ( 8.899 4.530 -0.000) 9.985 15.054 ( 9.233 5.066 -0.000) 10.532 15.182 ( 9.069 3.706 -0.000) 9.797 15.329 ( 18.145 3.842 -0.000) 18.547 15.343 ( 4.354 -11.432 -0.000) 12.233 15.513 ( 5.995 -5.011 -0.000) 7.813 15.525 ( 4.901 1.482 -0.000) 5.121 15.568 ( -1.977 16.875 0.000) 16.990 15.703 ( 7.780 -13.495 -0.000) 15.577 15.833 ( 6.306 0.821 -0.000) 6.359 16.161 ( -6.282 -1.328 0.000) 6.421 16.439 ( 10.520 2.021 -0.000) 10.712 16.503 ( -16.412 -19.782 -0.000) 25.704 16.744 ( -8.959 2.640 0.000) 9.339 17.034 ( 5.336 8.714 0.000) 10.218 17.154 ( 6.048 1.482 -0.000) 6.227 17.157 ( -6.423 0.713 0.000) 6.463 17.325 ( 5.672 -2.256 -0.000) 6.105 17.466 ( 7.356 -14.363 -0.000) 16.137 17.518 ( 2.104 8.563 0.000) 8.818 17.767 ( 7.859 -2.773 -0.000) 8.334 17.922 ( -1.093 9.296 0.000) 9.360 17.926 ( -6.861 1.663 0.000) 7.060 18.140 ( 2.687 -4.737 -0.000) 5.446 18.178 ( -0.103 4.890 0.000) 4.891 18.331 ( -3.142 -6.519 -0.000) 7.236 18.336 ( -2.425 2.693 0.000) 3.624 18.485 ( -4.009 9.045 0.000) 9.893 18.592 ( 6.540 2.952 -0.000) 7.176 18.881 ( -4.084 5.447 0.000) 6.807 18.953 ( 3.963 -4.118 -0.000) 5.716 18.959 ( 4.346 2.249 -0.000) 4.893 19.060 ( -8.433 -6.137 0.000) 10.429 19.122 ( -0.558 -3.274 -0.000) 3.321 19.247 ( -7.949 3.124 0.000) 8.541 19.251 ( -8.790 1.975 0.000) 9.009 19.535 ( 12.469 -15.160 -0.000) 19.629 19.560 ( -5.084 4.033 0.000) 6.490 19.739 ( -11.432 1.129 0.000) 11.488 19.950 ( 8.669 4.423 -0.000) 9.732 19.997 ( 14.684 3.398 -0.000) 15.072 20.256 ( 4.176 12.883 0.000) 13.543 20.318 ( 14.406 0.826 -0.000) 14.430 20.459 ( 12.921 8.206 -0.000) 15.306 20.511 ( 9.007 -8.595 -0.000) 12.450 20.859 ( 3.174 0.280 -0.000) 3.187 21.008 ( 0.246 -2.965 -0.000) 2.975 21.029 ( -11.987 0.407 0.000) 11.994 21.074 ( -5.254 -1.262 0.000) 5.404 21.184 ( -10.015 -1.714 0.000) 10.161 21.399 ( -18.498 -10.851 0.000) 21.445 21.501 ( 1.013 0.555 -0.000) 1.156 21.767 ( 1.405 5.520 0.000) 5.696 21.791 ( -5.500 -1.277 0.000) 5.647 21.808 ( -7.749 12.957 0.000) 15.097 22.093 ( -3.629 0.931 0.000) 3.747 22.162 ( 0.575 0.375 -0.000) 0.686 22.178 ( 3.957 -0.316 -0.000) 3.970 22.471 ( -6.865 -9.130 -0.000) 11.423 22.557 ( 6.796 -1.267 -0.000) 6.913 22.719 ( 7.708 -0.595 -0.000) 7.731 22.767 ( 7.777 4.610 -0.000) 9.040 23.063 ( 0.067 -4.832 -0.000) 4.833 23.452 ( 16.217 -4.195 -0.000) 16.751 23.659 ( 11.707 -2.721 -0.000) 12.019 23.735 ( 20.978 3.136 -0.000) 21.212 23.878 ( 7.652 2.215 -0.000) 7.966 23.896 ( 13.339 -6.059 -0.000) 14.650 23.952 ( 2.408 4.322 0.000) 4.948 24.042 ( 14.488 7.238 -0.000) 16.196 24.201 ( 7.885 -0.963 -0.000) 7.943 24.341 ( 0.763 0.224 -0.000) 0.795 24.453 ( -0.432 -0.302 0.000) 0.528 24.481 ( -2.125 2.783 0.000) 3.502 26.203 ( 4.815 -4.039 -0.000) 6.285 26.308 ( -10.199 -5.221 0.000) 11.457 26.668 ( -9.646 9.440 0.000) 13.497 26.751 ( -5.732 -7.820 -0.000) 9.696 26.918 ( -17.533 -4.095 0.000) 18.005 27.633 ( -25.534 -1.446 0.000) 25.575 27.755 ( -16.191 -4.848 0.000) 16.901 27.792 ( -19.462 -5.453 0.000) 20.211 28.002 ( -23.379 -6.698 0.000) 24.319 28.263 ( -26.059 -4.408 0.000) 26.429 29.950 ( 21.297 5.260 -0.000) 21.937 30.016 ( 17.399 7.462 -0.000) 18.932 30.245 ( 15.748 4.819 -0.000) 16.469 30.397 ( 20.785 -2.093 -0.000) 20.890 30.528 ( 15.731 5.689 -0.000) 16.729 31.178 ( -2.123 8.351 0.000) 8.617 ======================= Grid point 218 (36/45) ======================= q-point: (-0.22 0.33 0.22) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.748 ( 73.740 -0.000 15.531) 75.358 5.753 ( 74.468 -0.000 16.591) 76.294 8.628 ( 109.022 -0.000 17.281) 110.383 9.165 ( -22.698 -0.000 -48.557) 53.600 9.493 ( -32.704 -0.000 -45.393) 55.947 9.715 ( -22.692 0.000 -17.203) 28.476 9.792 ( -14.536 0.000 -8.671) 16.926 10.228 ( -26.331 0.000 11.713) 28.819 10.272 ( -17.349 0.000 19.924) 26.419 10.464 ( -19.615 0.000 -0.960) 19.639 10.957 ( -15.185 0.000 -2.294) 15.358 11.004 ( -23.857 0.000 38.389) 45.199 11.207 ( -12.446 0.000 3.342) 12.887 11.529 ( -19.335 0.000 7.578) 20.767 11.571 ( -12.619 -0.000 -15.033) 19.627 11.755 ( -8.258 0.000 6.642) 10.598 11.873 ( -19.561 0.000 15.973) 25.254 12.217 ( -9.315 0.000 17.999) 20.266 12.538 ( -20.889 0.000 1.909) 20.976 12.644 ( -33.448 0.000 2.072) 33.512 12.830 ( -30.878 0.000 5.940) 31.444 13.606 ( -9.610 -0.000 -26.133) 27.844 13.901 ( -11.641 0.000 -7.547) 13.874 13.953 ( 15.198 -0.000 -6.100) 16.377 14.054 ( 7.843 -0.000 -14.874) 16.815 14.145 ( 9.453 -0.000 6.308) 11.364 14.268 ( 9.607 -0.000 -5.846) 11.245 14.312 ( 15.191 -0.000 2.431) 15.384 14.456 ( 8.501 0.000 15.291) 17.495 14.489 ( 12.047 -0.000 2.214) 12.249 14.760 ( 13.057 -0.000 8.574) 15.620 14.888 ( 9.352 -0.000 -15.805) 18.365 15.114 ( 10.981 -0.000 -8.613) 13.956 15.224 ( 8.115 -0.000 0.022) 8.115 15.392 ( 24.846 -0.000 0.928) 24.863 15.524 ( 9.295 -0.000 1.973) 9.502 15.600 ( 6.551 -0.000 2.414) 6.982 15.752 ( 2.165 0.000 10.561) 10.780 15.824 ( 3.860 0.000 8.950) 9.747 16.038 ( -3.353 0.000 20.084) 20.362 16.039 ( -22.667 0.000 1.523) 22.718 16.274 ( 0.406 -0.000 -6.174) 6.188 16.519 ( 6.026 0.000 7.911) 9.945 16.705 ( -11.032 0.000 -7.907) 13.573 17.090 ( -2.220 -0.000 -4.052) 4.621 17.091 ( 5.850 -0.000 -3.355) 6.744 17.244 ( 1.654 0.000 4.728) 5.009 17.327 ( 7.707 -0.000 -1.229) 7.805 17.364 ( 2.811 0.000 5.246) 5.951 17.575 ( -1.743 -0.000 -3.182) 3.628 17.720 ( 9.729 -0.000 -1.876) 9.909 17.912 ( 0.091 -0.000 -2.689) 2.690 17.948 ( -1.800 -0.000 -9.461) 9.630 18.112 ( -0.391 0.000 5.445) 5.459 18.223 ( -0.152 0.000 0.451) 0.476 18.327 ( -1.833 0.000 7.142) 7.374 18.351 ( -3.220 0.000 1.462) 3.537 18.535 ( -5.904 -0.000 -8.659) 10.480 18.604 ( 2.734 -0.000 -1.739) 3.240 18.860 ( 11.996 -0.000 -2.296) 12.214 18.912 ( -6.904 0.000 -4.017) 7.988 18.943 ( -3.053 0.000 -2.086) 3.697 19.087 ( -0.109 0.000 7.678) 7.679 19.093 ( -2.238 0.000 -0.119) 2.241 19.232 ( -9.978 0.000 -2.400) 10.262 19.349 ( 2.087 -0.000 1.910) 2.830 19.354 ( 4.798 -0.000 -3.485) 5.930 19.608 ( -6.817 0.000 0.874) 6.873 19.712 ( -10.079 0.000 -4.824) 11.174 19.869 ( 6.706 -0.000 -9.683) 11.778 20.027 ( 15.934 -0.000 1.131) 15.975 20.334 ( 16.723 -0.000 -2.215) 16.869 20.401 ( 4.680 0.000 5.080) 6.907 20.469 ( 17.357 -0.000 -2.508) 17.537 20.569 ( 7.818 0.000 12.073) 14.383 20.835 ( 0.547 -0.000 -4.317) 4.351 20.975 ( -13.472 0.000 -5.659) 14.612 20.987 ( 0.484 0.000 1.027) 1.135 21.073 ( -6.608 0.000 1.134) 6.705 21.256 ( -10.929 0.000 6.626) 12.781 21.306 ( -16.310 0.000 1.550) 16.384 21.522 ( 0.296 0.000 2.860) 2.875 21.654 ( -6.018 -0.000 -14.334) 15.547 21.783 ( 2.611 -0.000 -2.539) 3.642 21.940 ( -7.896 0.000 -0.640) 7.922 22.097 ( 0.740 -0.000 -4.369) 4.431 22.157 ( -7.004 0.000 7.861) 10.528 22.198 ( 5.485 -0.000 -1.058) 5.586 22.462 ( -6.676 0.000 8.188) 10.565 22.546 ( 8.196 -0.000 0.310) 8.201 22.743 ( 4.883 -0.000 4.185) 6.430 22.793 ( 8.642 -0.000 -3.806) 9.443 22.974 ( 0.985 -0.000 -5.108) 5.202 23.434 ( 18.480 -0.000 2.498) 18.648 23.629 ( 11.618 -0.000 -1.116) 11.671 23.763 ( 21.721 -0.000 -0.358) 21.724 23.886 ( 11.642 -0.000 5.955) 13.077 23.914 ( 6.713 -0.000 1.877) 6.971 23.997 ( 4.836 -0.000 1.073) 4.954 24.108 ( 13.231 -0.000 -0.335) 13.235 24.138 ( 6.568 -0.000 -5.641) 8.658 24.352 ( 1.206 -0.000 1.067) 1.610 24.438 ( -1.041 -0.000 -1.623) 1.928 24.470 ( -1.884 -0.000 -4.233) 4.633 26.200 ( 4.882 -0.000 3.243) 5.861 26.271 ( -11.705 0.000 0.858) 11.736 26.635 ( -1.072 -0.000 -3.681) 3.834 26.848 ( -23.682 0.000 0.008) 23.682 26.903 ( -5.963 0.000 12.613) 13.951 27.654 ( -31.080 0.000 2.199) 31.157 27.728 ( -16.144 0.000 1.343) 16.200 27.774 ( -14.726 0.000 5.139) 15.597 28.010 ( -23.380 0.000 7.931) 24.688 28.263 ( -25.927 0.000 4.059) 26.243 29.917 ( 21.334 -0.000 -8.645) 23.019 30.084 ( 16.136 -0.000 1.015) 16.168 30.218 ( 16.372 -0.000 -8.710) 18.545 30.358 ( 20.805 -0.000 -3.483) 21.095 30.563 ( 16.374 -0.000 -0.597) 16.385 31.174 ( -2.262 -0.000 -8.937) 9.218 ======================= Grid point 226 (37/45) ======================= q-point: (-0.44 0.44 0.22) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.948 ( 65.257 -19.621 -0.000) 68.143 7.011 ( 66.021 -24.970 -0.000) 70.585 8.155 ( -21.687 57.331 0.000) 61.296 8.340 ( -29.648 60.253 0.000) 67.152 9.288 ( -9.860 3.246 0.000) 10.381 9.535 ( -3.157 6.194 0.000) 6.952 10.064 ( -18.907 -16.499 0.000) 25.093 10.207 ( 41.626 -18.346 -0.000) 45.489 10.313 ( 1.752 -0.740 -0.000) 1.902 10.525 ( -7.379 -18.359 -0.000) 19.786 10.598 ( 19.486 -3.787 -0.000) 19.851 10.997 ( -5.404 3.776 0.000) 6.593 11.119 ( -10.270 -19.975 -0.000) 22.461 11.415 ( -25.157 -0.199 0.000) 25.158 11.504 ( -16.897 -14.284 0.000) 22.125 11.842 ( -13.911 -27.072 -0.000) 30.437 11.978 ( -23.035 0.568 0.000) 23.042 12.129 ( -14.953 -29.261 -0.000) 32.860 12.195 ( -11.150 1.619 0.000) 11.266 12.314 ( -23.038 44.413 0.000) 50.033 12.513 ( -28.676 -20.508 0.000) 35.255 12.662 ( -22.164 -10.567 0.000) 24.554 13.842 ( 18.018 15.128 -0.000) 23.526 13.965 ( -9.028 -1.222 0.000) 9.110 14.184 ( 6.056 10.966 0.000) 12.527 14.307 ( 13.054 10.042 -0.000) 16.470 14.343 ( -1.718 -2.436 -0.000) 2.981 14.613 ( 6.234 8.069 0.000) 10.197 14.661 ( 10.209 -5.008 -0.000) 11.371 14.712 ( 4.633 -7.564 -0.000) 8.870 14.842 ( 10.009 -8.269 -0.000) 12.983 15.150 ( -0.353 9.545 0.000) 9.552 15.199 ( 5.483 2.274 -0.000) 5.936 15.346 ( -6.038 -9.395 -0.000) 11.168 15.368 ( -11.700 2.802 0.000) 12.031 15.476 ( 10.571 3.503 -0.000) 11.137 15.585 ( 2.560 -12.641 -0.000) 12.898 15.684 ( 5.638 -4.828 -0.000) 7.423 15.953 ( 14.957 8.929 -0.000) 17.420 16.055 ( -5.353 5.168 0.000) 7.440 16.211 ( 20.396 -17.523 -0.000) 26.889 16.336 ( -0.892 13.368 0.000) 13.397 16.557 ( -6.451 -7.002 -0.000) 9.521 16.742 ( 3.828 -0.038 -0.000) 3.828 16.997 ( 5.715 4.487 -0.000) 7.266 17.005 ( -14.082 1.601 0.000) 14.173 17.255 ( 11.764 2.382 -0.000) 12.003 17.387 ( -2.444 8.705 0.000) 9.041 17.516 ( 6.713 -12.784 -0.000) 14.439 17.659 ( -6.353 -4.246 0.000) 7.641 17.758 ( -3.378 9.724 0.000) 10.294 17.849 ( 4.414 4.416 -0.000) 6.243 17.936 ( 5.864 -12.162 -0.000) 13.502 18.107 ( -0.242 15.117 0.000) 15.119 18.116 ( 2.528 6.172 0.000) 6.670 18.282 ( -0.591 -3.825 -0.000) 3.871 18.381 ( -2.621 -7.865 -0.000) 8.290 18.397 ( -5.317 -2.282 0.000) 5.786 18.578 ( -1.603 4.711 0.000) 4.976 18.703 ( -10.460 -1.421 0.000) 10.556 18.954 ( -9.183 -3.913 0.000) 9.982 18.984 ( 3.096 -1.046 -0.000) 3.268 19.064 ( -8.706 -0.428 0.000) 8.717 19.097 ( -3.969 -9.003 -0.000) 9.839 19.165 ( -2.198 1.483 0.000) 2.651 19.212 ( 13.213 6.540 -0.000) 14.743 19.463 ( -15.088 -6.038 0.000) 16.251 19.585 ( 1.586 5.309 0.000) 5.541 19.820 ( -1.181 6.083 0.000) 6.196 20.033 ( 8.067 -6.108 -0.000) 10.118 20.091 ( 8.570 9.211 0.000) 12.581 20.206 ( 17.071 4.857 -0.000) 17.748 20.444 ( 13.453 4.264 -0.000) 14.112 20.518 ( 16.742 12.975 -0.000) 21.181 20.812 ( 7.853 -11.867 -0.000) 14.230 20.857 ( -1.877 5.951 0.000) 6.239 20.921 ( -1.759 -1.122 0.000) 2.086 20.943 ( -4.895 5.371 0.000) 7.267 21.082 ( -10.231 -3.251 0.000) 10.736 21.103 ( 5.540 -1.830 -0.000) 5.835 21.289 ( -15.817 -9.582 0.000) 18.493 21.452 ( -9.804 13.583 0.000) 16.752 21.566 ( 3.836 -1.666 -0.000) 4.182 21.757 ( -2.458 -2.018 0.000) 3.180 21.786 ( 2.841 1.603 -0.000) 3.262 22.027 ( -1.734 1.141 0.000) 2.075 22.179 ( 0.279 -1.547 -0.000) 1.572 22.200 ( -3.124 -3.290 -0.000) 4.537 22.488 ( -8.385 -8.751 -0.000) 12.120 22.702 ( 12.279 2.554 -0.000) 12.542 22.762 ( -0.655 1.382 0.000) 1.529 22.799 ( 6.190 4.703 -0.000) 7.774 23.082 ( 1.258 4.296 0.000) 4.477 23.680 ( 11.856 1.511 -0.000) 11.952 23.802 ( 5.019 3.406 -0.000) 6.065 23.929 ( 3.292 -1.961 -0.000) 3.832 23.948 ( 15.556 2.766 -0.000) 15.799 24.012 ( 11.926 0.879 -0.000) 11.958 24.049 ( 6.410 5.998 -0.000) 8.779 24.158 ( 10.762 -0.456 -0.000) 10.772 24.265 ( 5.730 6.603 0.000) 8.743 24.305 ( -1.980 4.343 0.000) 4.773 24.411 ( -1.131 2.495 0.000) 2.740 24.460 ( 0.578 0.869 0.000) 1.043 26.222 ( -9.998 -3.673 0.000) 10.652 26.327 ( -3.142 -13.808 -0.000) 14.161 26.402 ( -13.395 3.168 0.000) 13.765 26.763 ( -7.654 1.331 0.000) 7.769 26.911 ( 1.226 -19.119 -0.000) 19.158 27.317 ( -26.139 -3.009 0.000) 26.312 27.625 ( -16.830 -9.684 0.000) 19.417 27.654 ( -14.551 -10.338 0.000) 17.850 27.890 ( -16.869 -17.923 -0.000) 24.613 28.017 ( -25.529 -11.873 0.000) 28.155 30.101 ( 16.969 15.120 -0.000) 22.728 30.145 ( 20.768 9.091 -0.000) 22.670 30.329 ( 11.148 10.055 -0.000) 15.013 30.605 ( 13.242 12.386 -0.000) 18.132 30.703 ( 19.277 -2.186 -0.000) 19.400 30.998 ( -1.443 13.746 0.000) 13.822 ======================= Grid point 227 (38/45) ======================= q-point: (-0.33 0.44 0.22) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.767 ( 68.412 -8.048 8.458) 69.401 6.874 ( 69.636 -14.743 15.129) 72.769 8.811 ( -16.978 33.005 -23.493) 43.926 8.840 ( -20.194 19.177 -36.528) 45.933 9.270 ( -23.559 -2.177 -42.851) 48.949 9.274 ( -22.917 48.089 5.455) 53.549 9.874 ( 0.193 -1.288 1.513) 1.996 10.128 ( 70.644 -11.267 17.316) 73.603 10.172 ( 1.434 -12.626 2.433) 12.938 10.503 ( -8.763 -5.177 -2.243) 10.423 10.749 ( -13.487 -6.120 32.271) 35.507 10.798 ( -18.270 -20.790 9.071) 29.126 11.155 ( -12.980 -11.845 18.300) 25.370 11.340 ( -13.276 -5.774 1.008) 14.512 11.507 ( -19.804 -19.175 10.633) 29.546 11.577 ( -27.475 -8.965 13.341) 31.832 11.731 ( -2.797 -7.293 -4.765) 9.150 12.143 ( -12.864 -4.184 18.582) 22.984 12.186 ( -19.921 2.066 2.421) 20.173 12.282 ( -30.928 -14.481 4.032) 34.388 12.525 ( -24.809 -9.606 4.983) 27.067 13.249 ( -9.570 56.801 8.152) 58.176 13.423 ( -21.161 -4.478 -55.402) 59.474 14.031 ( 15.268 15.109 -6.264) 22.375 14.205 ( 10.843 7.776 -17.695) 22.162 14.425 ( 8.747 -1.751 -3.071) 9.434 14.465 ( 8.447 -13.968 8.058) 18.204 14.477 ( 6.263 -9.655 3.681) 12.083 14.525 ( 8.727 3.188 8.906) 12.870 14.711 ( 9.060 -5.363 2.215) 10.759 14.914 ( 11.277 2.400 12.421) 16.948 15.047 ( 8.915 -4.312 -8.944) 13.344 15.180 ( 1.299 3.255 -8.746) 9.422 15.282 ( -5.473 1.908 -8.500) 10.288 15.450 ( -11.273 3.725 2.866) 12.214 15.527 ( 3.900 7.611 2.919) 9.036 15.599 ( 9.100 3.555 5.915) 11.421 15.888 ( 5.906 -7.184 14.278) 17.039 15.913 ( 6.307 -8.591 1.819) 10.812 16.027 ( 18.703 3.555 -1.515) 19.098 16.143 ( -0.762 -7.582 5.482) 9.388 16.353 ( -0.233 -15.882 8.207) 17.879 16.513 ( -2.705 6.743 1.650) 7.450 16.704 ( 5.649 -3.709 -2.975) 7.384 16.967 ( -13.399 0.532 -4.204) 14.053 17.114 ( 2.906 4.033 0.893) 5.051 17.267 ( 3.014 -2.048 3.390) 4.977 17.404 ( -1.880 3.054 -3.084) 4.730 17.458 ( 6.665 0.156 -0.304) 6.674 17.597 ( 4.620 -6.365 -1.748) 8.057 17.791 ( 0.888 4.655 -3.591) 5.946 17.867 ( 0.581 1.008 -1.042) 1.562 17.891 ( -2.261 8.776 -1.061) 9.125 18.139 ( 3.141 -1.105 -4.555) 5.643 18.171 ( -0.915 3.422 -1.548) 3.866 18.274 ( -7.129 4.502 -5.859) 10.267 18.350 ( -3.097 -4.636 6.652) 8.679 18.399 ( -2.461 -2.645 3.546) 5.063 18.583 ( -2.716 4.753 -4.260) 6.936 18.766 ( -8.251 3.705 -2.852) 9.484 18.889 ( -2.928 -5.502 6.508) 9.011 18.968 ( -5.692 -3.655 -0.477) 6.781 19.032 ( -5.842 -2.148 2.288) 6.632 19.072 ( -4.294 -1.977 5.331) 7.125 19.179 ( -1.931 -2.094 0.787) 2.955 19.325 ( 2.417 3.673 -2.512) 5.063 19.394 ( -4.956 4.852 -1.140) 7.029 19.622 ( 1.601 1.807 -5.372) 5.889 19.690 ( 10.447 -9.235 -3.775) 14.445 19.937 ( 5.738 -0.562 -4.093) 7.071 20.232 ( 13.239 9.203 -3.997) 16.611 20.373 ( 9.961 12.289 4.846) 16.545 20.569 ( 2.854 -2.251 -4.181) 5.540 20.639 ( 15.047 5.204 7.682) 17.678 20.674 ( 13.442 3.668 -0.802) 13.957 20.863 ( -7.601 -7.316 0.473) 10.560 20.868 ( 3.825 -1.275 -8.729) 9.615 20.973 ( -3.890 1.997 -3.361) 5.515 21.029 ( -0.542 -0.412 1.316) 1.481 21.118 ( -4.409 -3.057 5.862) 7.946 21.186 ( -11.377 -6.655 3.180) 13.558 21.538 ( 3.207 1.542 -6.449) 7.366 21.625 ( -1.334 2.401 -5.249) 5.924 21.705 ( -7.979 9.277 -0.601) 12.252 21.823 ( 0.735 -1.312 2.485) 2.905 22.077 ( -1.629 2.770 2.173) 3.879 22.084 ( -4.277 -2.952 -2.142) 5.621 22.267 ( -3.300 -5.236 6.279) 8.816 22.384 ( -8.231 -5.409 4.659) 10.895 22.708 ( 9.429 1.153 -1.970) 9.702 22.770 ( 2.294 -0.350 1.460) 2.741 22.890 ( 10.920 5.403 -2.606) 12.459 23.048 ( 6.297 -0.272 -6.699) 9.198 23.672 ( 14.715 0.660 -1.007) 14.764 23.801 ( 9.059 -2.817 -0.359) 9.494 23.924 ( 2.720 5.068 -1.198) 5.875 23.986 ( 13.806 2.465 -1.000) 14.060 24.026 ( 7.085 2.834 1.889) 7.861 24.113 ( 12.016 -2.935 2.495) 12.618 24.181 ( 7.209 5.099 -2.748) 9.248 24.266 ( 7.897 1.188 -6.013) 9.997 24.345 ( -0.003 2.892 -0.701) 2.976 24.423 ( -0.765 2.987 -4.250) 5.250 24.464 ( 1.540 -1.014 -0.349) 1.877 26.181 ( -9.877 -8.331 2.652) 13.191 26.207 ( -5.883 -3.738 3.613) 7.850 26.493 ( -17.512 3.384 3.694) 18.214 26.712 ( -1.573 -6.913 0.282) 7.095 26.848 ( -5.394 -4.530 12.287) 14.162 27.283 ( -26.717 -5.663 3.206) 27.498 27.518 ( -17.205 -3.174 2.056) 17.616 27.607 ( -16.780 -7.563 7.320) 19.808 27.754 ( -19.908 -7.606 8.439) 22.921 27.932 ( -25.418 -4.407 4.427) 26.174 30.173 ( 20.638 5.293 -8.096) 22.792 30.259 ( 16.871 8.073 -2.280) 18.842 30.387 ( 12.625 4.909 -7.506) 15.486 30.645 ( 19.450 -0.893 -5.014) 20.106 30.736 ( 14.971 6.834 -0.369) 16.461 31.090 ( -1.873 7.713 -8.630) 11.726 ======================= Grid point 228 (39/45) ======================= q-point: (-0.22 0.44 0.22) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.961 ( 65.257 -0.000 20.712) 68.465 7.017 ( 66.325 -0.000 24.720) 70.782 8.137 ( -19.867 -0.000 -57.063) 60.422 8.311 ( -30.184 -0.000 -58.846) 66.136 9.311 ( -10.703 0.000 -5.347) 11.964 9.540 ( -3.225 -0.000 -7.378) 8.052 10.072 ( -12.753 0.000 15.675) 20.208 10.257 ( -11.565 0.000 7.392) 13.725 10.302 ( 70.850 -0.000 20.763) 73.830 10.336 ( -6.500 0.000 8.584) 10.768 10.745 ( -12.401 0.000 2.239) 12.602 11.112 ( -10.224 0.000 2.805) 10.602 11.128 ( -8.860 0.000 10.377) 13.645 11.435 ( -16.242 0.000 11.479) 19.889 11.471 ( -2.655 0.000 22.780) 22.934 11.657 ( -30.532 0.000 -6.098) 31.135 11.812 ( -4.687 0.000 15.998) 16.670 12.214 ( -25.679 0.000 -4.632) 26.094 12.279 ( -9.296 0.000 6.970) 11.619 12.330 ( -28.009 0.000 12.752) 30.775 12.597 ( -23.791 0.000 18.291) 30.010 12.714 ( -33.956 0.000 -20.910) 39.878 13.877 ( -0.740 0.000 4.843) 4.899 13.928 ( 8.485 -0.000 -17.038) 19.034 14.083 ( 13.185 -0.000 -4.028) 13.787 14.296 ( 3.578 -0.000 3.519) 5.018 14.317 ( 12.119 -0.000 -10.455) 16.006 14.513 ( 12.634 -0.000 -2.011) 12.793 14.696 ( 6.504 0.000 7.667) 10.054 14.727 ( 5.142 -0.000 3.628) 6.293 14.934 ( 14.229 -0.000 1.490) 14.307 15.042 ( 3.947 -0.000 -13.469) 14.035 15.123 ( 7.008 0.000 14.870) 16.439 15.223 ( -4.566 0.000 -3.434) 5.713 15.544 ( 6.678 -0.000 -7.834) 10.294 15.554 ( -17.644 0.000 5.516) 18.487 15.699 ( -4.484 0.000 5.790) 7.323 15.808 ( 1.157 -0.000 -5.622) 5.740 15.895 ( 0.313 0.000 4.974) 4.984 15.977 ( 15.198 -0.000 -9.279) 17.807 16.147 ( 2.919 0.000 5.001) 5.791 16.458 ( 11.933 -0.000 2.217) 12.137 16.537 ( -0.631 -0.000 -2.032) 2.127 16.726 ( 0.956 0.000 15.203) 15.233 16.898 ( -12.298 0.000 -6.171) 13.760 17.068 ( 1.633 -0.000 -7.400) 7.578 17.287 ( 0.039 0.000 2.431) 2.431 17.380 ( 7.860 -0.000 -14.419) 16.422 17.503 ( -0.723 0.000 6.190) 6.232 17.543 ( 9.262 -0.000 7.541) 11.943 17.806 ( 8.341 -0.000 -3.173) 8.924 17.884 ( -10.380 0.000 -2.439) 10.663 17.927 ( 11.531 -0.000 -3.235) 11.976 18.113 ( -5.093 0.000 0.174) 5.096 18.174 ( -11.865 0.000 -7.276) 13.918 18.256 ( 2.106 0.000 2.926) 3.605 18.361 ( -2.060 0.000 3.754) 4.282 18.449 ( -1.228 0.000 7.322) 7.425 18.529 ( -3.477 -0.000 -6.266) 7.166 18.733 ( -9.254 0.000 -1.448) 9.366 18.925 ( -0.630 0.000 1.312) 1.455 18.979 ( 4.449 -0.000 0.983) 4.556 19.031 ( -8.067 0.000 4.478) 9.226 19.149 ( -6.584 0.000 5.225) 8.405 19.161 ( -2.838 0.000 1.005) 3.011 19.331 ( 5.529 -0.000 -12.809) 13.951 19.345 ( -2.944 0.000 4.565) 5.432 19.574 ( 0.451 0.000 1.051) 1.143 19.648 ( 8.086 -0.000 0.543) 8.104 19.895 ( 9.510 -0.000 -1.043) 9.567 20.252 ( 11.601 -0.000 -4.404) 12.409 20.384 ( 4.649 -0.000 -12.951) 13.761 20.545 ( 8.351 -0.000 -3.673) 9.123 20.625 ( 2.492 -0.000 -12.815) 13.055 20.710 ( 5.380 -0.000 -0.537) 5.407 20.742 ( 2.346 -0.000 -1.697) 2.895 20.869 ( 6.444 0.000 8.386) 10.575 21.010 ( -7.425 0.000 5.902) 9.485 21.012 ( -1.054 -0.000 -2.124) 2.371 21.188 ( -4.848 0.000 6.747) 8.308 21.237 ( -8.704 0.000 10.063) 13.305 21.373 ( -3.069 -0.000 -16.316) 16.602 21.579 ( 1.566 0.000 1.612) 2.247 21.785 ( 2.787 -0.000 -2.179) 3.538 21.819 ( -7.127 0.000 -1.313) 7.247 22.034 ( -2.666 0.000 -0.394) 2.695 22.191 ( -4.125 0.000 5.784) 7.104 22.203 ( -0.938 0.000 -0.487) 1.057 22.481 ( -7.828 0.000 9.017) 11.941 22.702 ( 9.796 -0.000 -0.707) 9.822 22.792 ( -1.883 0.000 1.883) 2.663 22.794 ( 7.195 -0.000 -10.874) 13.039 22.994 ( 9.910 -0.000 -2.576) 10.239 23.683 ( 12.957 -0.000 -2.197) 13.141 23.750 ( 8.361 -0.000 -1.617) 8.516 23.986 ( 7.186 -0.000 1.398) 7.321 24.006 ( -1.428 0.000 -0.194) 1.441 24.042 ( 12.285 -0.000 -6.031) 13.685 24.109 ( 5.172 -0.000 -0.862) 5.243 24.137 ( 9.351 -0.000 -6.077) 11.152 24.190 ( 8.078 -0.000 -3.336) 8.740 24.330 ( -0.083 -0.000 -7.293) 7.294 24.402 ( -0.544 -0.000 -1.041) 1.174 24.437 ( 2.330 -0.000 -0.027) 2.330 26.174 ( -8.099 0.000 6.349) 10.291 26.257 ( -2.804 0.000 7.493) 8.001 26.545 ( -20.689 0.000 0.654) 20.700 26.673 ( 3.574 -0.000 2.100) 4.145 27.035 ( -3.647 0.000 19.080) 19.426 27.255 ( -27.583 0.000 -0.866) 27.597 27.594 ( -14.347 0.000 10.623) 17.851 27.669 ( -15.496 0.000 10.297) 18.605 27.909 ( -18.309 0.000 19.336) 26.629 28.007 ( -24.808 0.000 10.066) 26.772 30.061 ( 20.584 -0.000 -13.168) 24.436 30.249 ( 12.938 -0.000 -15.964) 20.549 30.272 ( 14.458 -0.000 -5.058) 15.317 30.546 ( 18.092 -0.000 -8.691) 20.072 30.780 ( 16.021 -0.000 0.072) 16.021 30.973 ( -2.231 -0.000 -15.387) 15.548 ======================= Grid point 236 (40/45) ======================= q-point: (-0.44 0.56 0.22) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.743 ( 38.689 7.340 1.606) 39.412 7.773 ( 4.236 40.534 3.827) 40.934 8.090 ( 40.767 -2.026 5.595) 41.199 8.160 ( 0.445 42.192 11.961) 43.856 8.728 ( -1.732 -5.410 -44.159) 44.522 9.193 ( -17.520 -18.043 -56.685) 62.014 9.833 ( 7.821 7.832 17.030) 20.311 10.186 ( -2.623 -0.983 -16.555) 16.791 10.430 ( -7.257 -6.009 14.020) 16.892 10.673 ( -9.328 -18.964 29.876) 36.596 10.845 ( -7.210 -10.705 6.199) 14.318 10.936 ( -24.609 -6.722 -0.834) 25.525 11.267 ( -16.221 -25.445 13.716) 33.147 11.307 ( -20.290 -16.934 19.416) 32.794 11.384 ( 1.204 -13.755 22.394) 26.309 11.700 ( -20.413 9.175 9.124) 24.169 11.851 ( -3.721 -22.223 6.600) 23.479 11.938 ( -10.104 -13.857 -5.515) 18.015 12.064 ( 10.005 31.505 6.136) 33.620 12.217 ( -7.553 -12.065 10.185) 17.502 12.414 ( -15.376 -4.013 3.956) 16.376 12.424 ( 13.890 -13.830 11.745) 22.851 13.281 ( -14.308 -8.263 -60.476) 62.692 14.055 ( 17.937 14.841 -5.837) 24.001 14.194 ( 9.562 12.965 -17.261) 23.610 14.455 ( 3.591 3.866 6.906) 8.691 14.542 ( 3.782 4.921 12.112) 13.610 14.592 ( 4.447 4.280 3.185) 6.945 14.717 ( -4.645 -2.077 -1.408) 5.280 14.907 ( 4.256 -0.638 6.919) 8.149 14.963 ( 2.416 -1.061 -2.002) 3.312 15.054 ( -1.663 1.950 -3.747) 4.540 15.162 ( 0.187 3.467 -4.315) 5.538 15.193 ( -4.366 3.784 -2.458) 6.278 15.283 ( -1.342 -10.194 -3.136) 10.750 15.607 ( 2.443 3.020 2.347) 4.538 15.664 ( 6.790 -0.124 1.603) 6.978 15.914 ( -2.105 0.780 5.915) 6.327 16.036 ( 2.758 1.807 13.499) 13.896 16.157 ( 13.374 9.916 -3.473) 17.008 16.214 ( -7.564 1.816 -0.332) 7.786 16.473 ( 5.230 0.600 -3.579) 6.366 16.604 ( 9.101 -10.533 8.858) 16.500 16.713 ( -22.400 1.654 4.411) 22.890 16.797 ( -1.422 -3.122 -2.039) 3.990 17.122 ( 5.607 2.987 4.373) 7.712 17.283 ( -3.360 0.345 -5.136) 6.147 17.394 ( 2.097 -5.835 2.270) 6.603 17.496 ( -9.736 -1.617 -0.443) 9.880 17.615 ( 4.245 -5.883 -5.327) 9.001 17.716 ( 0.686 11.134 4.261) 11.942 17.875 ( 4.034 5.080 -4.648) 7.980 17.916 ( 9.068 -6.327 -10.699) 15.387 17.967 ( -5.968 4.338 -10.333) 12.697 18.200 ( 3.465 6.149 3.154) 7.731 18.262 ( 0.435 2.637 -2.250) 3.494 18.355 ( 0.890 -4.328 -5.319) 6.915 18.437 ( -1.577 -1.803 12.001) 12.238 18.533 ( -0.625 -1.276 3.070) 3.383 18.635 ( -7.102 -5.918 -0.510) 9.259 18.887 ( -2.908 -3.619 3.411) 5.762 18.981 ( -7.401 -5.712 4.990) 10.598 19.028 ( -2.870 -5.367 2.757) 6.682 19.057 ( -3.452 -3.496 3.147) 5.834 19.155 ( -1.619 -2.009 2.284) 3.446 19.230 ( -8.480 -5.020 -4.656) 10.899 19.427 ( 13.416 7.952 -0.140) 15.596 19.582 ( 1.535 5.137 -8.133) 9.741 19.803 ( 3.378 7.792 2.907) 8.976 20.048 ( 0.200 11.834 -1.659) 11.951 20.171 ( 8.851 -5.923 -10.359) 14.858 20.457 ( 12.640 4.129 5.647) 14.446 20.571 ( 2.447 9.885 -4.994) 11.342 20.670 ( 6.305 2.673 -5.685) 8.901 20.788 ( 5.240 1.972 -2.146) 5.996 20.865 ( 2.390 1.413 3.577) 4.528 20.898 ( -1.486 5.610 -4.338) 7.245 20.936 ( -4.796 2.091 -0.161) 5.234 20.994 ( -3.274 -7.853 1.981) 8.735 21.151 ( -4.962 -4.488 3.262) 7.444 21.246 ( 7.948 2.889 2.686) 8.873 21.373 ( 0.068 7.615 1.375) 7.738 21.582 ( 1.053 -3.883 -13.619) 14.200 21.676 ( 0.202 1.011 2.623) 2.818 21.848 ( -0.945 -1.061 4.558) 4.774 22.030 ( -1.406 -1.231 2.578) 3.184 22.083 ( -2.593 -2.820 -4.324) 5.777 22.272 ( -3.656 -4.018 10.055) 11.429 22.374 ( -9.210 -8.949 1.962) 12.990 22.704 ( -3.114 -2.727 -0.473) 4.167 22.858 ( 7.768 7.487 -3.077) 11.219 22.934 ( 11.693 10.211 1.630) 15.609 23.073 ( 4.122 6.911 -7.560) 11.041 23.781 ( 5.946 7.135 -3.326) 9.866 23.841 ( 4.041 3.281 -4.320) 6.765 23.958 ( 3.812 2.377 1.216) 4.654 24.048 ( 1.277 2.638 -2.574) 3.901 24.122 ( 7.342 2.866 -1.562) 8.035 24.187 ( 6.138 5.505 0.609) 8.267 24.231 ( 4.329 6.535 -4.820) 9.202 24.286 ( 2.807 5.965 -1.213) 6.703 24.321 ( 5.695 2.561 -4.000) 7.416 24.376 ( 2.076 2.991 -4.468) 5.764 24.482 ( 1.073 1.519 0.591) 1.952 26.137 ( -7.711 -6.406 7.276) 12.387 26.247 ( -11.745 -4.827 5.367) 13.786 26.311 ( -7.147 -15.550 4.711) 17.750 26.716 ( -2.842 -1.168 2.423) 3.913 26.977 ( -4.073 -14.275 7.561) 16.660 27.050 ( -16.432 -7.396 7.463) 19.504 27.402 ( -11.342 -11.300 0.646) 16.023 27.541 ( -13.696 -13.531 9.628) 21.526 27.706 ( -14.997 -15.767 5.370) 22.413 27.743 ( -16.576 -16.135 5.794) 23.847 30.280 ( 13.864 15.689 -5.115) 21.553 30.341 ( 14.063 10.433 -8.540) 19.482 30.425 ( 8.699 10.376 -4.818) 14.372 30.770 ( 10.734 14.091 0.147) 17.715 30.901 ( 15.183 -1.381 -6.512) 16.578 30.928 ( -0.693 12.633 -7.830) 14.878 ======================= Grid point 316 (41/45) ======================= q-point: (-0.33 0.33 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.649 ( 71.682 -0.000 -0.000) 71.682 6.655 ( 72.449 -0.000 -0.000) 72.449 9.440 ( -23.336 0.000 0.000) 23.336 9.471 ( -14.630 0.000 0.000) 14.630 9.622 ( -6.101 0.000 0.000) 6.101 9.692 ( -21.409 0.000 0.000) 21.409 9.712 ( -23.698 0.000 0.000) 23.698 9.790 ( -12.437 0.000 0.000) 12.437 9.912 ( 68.902 -0.000 -0.000) 68.902 10.188 ( -19.243 0.000 0.000) 19.243 10.347 ( 7.767 -0.000 -0.000) 7.767 10.793 ( -12.177 0.000 0.000) 12.177 10.991 ( -13.577 0.000 0.000) 13.577 11.201 ( -21.879 0.000 0.000) 21.879 11.326 ( -29.427 0.000 0.000) 29.427 11.416 ( -28.545 0.000 0.000) 28.545 11.777 ( 1.884 -0.000 -0.000) 1.884 11.937 ( -1.960 0.000 0.000) 1.960 12.151 ( -33.796 0.000 0.000) 33.796 12.179 ( -27.184 0.000 0.000) 27.184 12.415 ( -24.111 0.000 0.000) 24.111 13.779 ( 2.889 -0.000 -0.000) 2.889 13.959 ( -7.976 0.000 0.000) 7.976 14.112 ( 2.347 -0.000 -0.000) 2.347 14.227 ( -4.054 0.000 0.000) 4.054 14.249 ( 13.818 -0.000 -0.000) 13.818 14.403 ( 17.574 -0.000 -0.000) 17.574 14.470 ( 11.729 -0.000 -0.000) 11.729 14.494 ( 12.463 -0.000 -0.000) 12.463 14.641 ( 9.892 -0.000 -0.000) 9.892 14.785 ( 5.807 -0.000 -0.000) 5.807 15.134 ( 0.841 -0.000 -0.000) 0.841 15.281 ( -0.100 0.000 0.000) 0.100 15.312 ( 2.041 -0.000 -0.000) 2.041 15.460 ( -11.892 0.000 0.000) 11.892 15.586 ( 8.873 -0.000 -0.000) 8.873 15.635 ( 7.770 -0.000 -0.000) 7.770 15.733 ( -13.065 0.000 0.000) 13.065 15.775 ( 27.199 -0.000 -0.000) 27.199 15.909 ( -3.234 0.000 0.000) 3.234 16.082 ( 27.841 -0.000 -0.000) 27.841 16.158 ( -12.098 0.000 0.000) 12.098 16.632 ( -8.047 0.000 0.000) 8.047 16.669 ( 15.321 -0.000 -0.000) 15.321 16.996 ( -16.537 0.000 0.000) 16.537 17.180 ( 2.692 -0.000 -0.000) 2.692 17.221 ( 0.670 -0.000 -0.000) 0.670 17.436 ( 12.538 -0.000 -0.000) 12.538 17.440 ( 6.764 -0.000 -0.000) 6.764 17.575 ( -5.541 0.000 0.000) 5.541 17.832 ( -6.267 0.000 0.000) 6.267 17.876 ( 9.483 -0.000 -0.000) 9.483 17.982 ( 0.580 -0.000 -0.000) 0.580 18.100 ( -1.930 0.000 0.000) 1.930 18.202 ( -6.358 0.000 0.000) 6.358 18.247 ( 2.510 -0.000 -0.000) 2.510 18.302 ( -1.524 0.000 0.000) 1.524 18.485 ( -14.201 0.000 0.000) 14.201 18.704 ( 4.427 -0.000 -0.000) 4.427 18.727 ( -12.279 0.000 0.000) 12.279 18.802 ( -11.037 0.000 0.000) 11.037 18.948 ( -2.494 0.000 0.000) 2.494 18.995 ( -6.080 0.000 0.000) 6.080 19.046 ( -9.198 0.000 0.000) 9.198 19.136 ( -1.980 0.000 0.000) 1.980 19.419 ( -15.805 0.000 0.000) 15.805 19.497 ( 14.323 -0.000 -0.000) 14.323 19.527 ( 15.468 -0.000 -0.000) 15.468 19.672 ( 1.677 -0.000 -0.000) 1.677 20.019 ( -0.163 0.000 0.000) 0.163 20.338 ( 25.607 -0.000 -0.000) 25.607 20.437 ( 6.556 -0.000 -0.000) 6.556 20.529 ( 1.989 -0.000 -0.000) 1.989 20.564 ( 20.506 -0.000 -0.000) 20.506 20.753 ( 8.540 -0.000 -0.000) 8.540 20.818 ( -13.241 0.000 0.000) 13.241 20.927 ( 4.818 -0.000 -0.000) 4.818 21.024 ( 5.114 -0.000 -0.000) 5.114 21.028 ( -1.667 0.000 0.000) 1.667 21.076 ( -1.958 0.000 0.000) 1.958 21.076 ( -11.775 0.000 0.000) 11.775 21.559 ( 6.800 -0.000 -0.000) 6.800 21.721 ( -3.864 0.000 0.000) 3.864 21.810 ( 0.462 -0.000 -0.000) 0.462 21.828 ( -8.607 0.000 0.000) 8.607 21.978 ( -5.685 0.000 0.000) 5.685 22.159 ( -1.329 0.000 0.000) 1.329 22.204 ( -3.646 0.000 0.000) 3.646 22.260 ( -10.928 0.000 0.000) 10.928 22.736 ( -3.988 0.000 0.000) 3.988 22.750 ( 19.512 -0.000 -0.000) 19.512 22.992 ( 13.549 -0.000 -0.000) 13.549 23.064 ( 7.603 -0.000 -0.000) 7.603 23.664 ( 17.607 -0.000 -0.000) 17.607 23.776 ( 8.733 -0.000 -0.000) 8.733 23.994 ( 9.191 -0.000 -0.000) 9.191 23.999 ( 8.070 -0.000 -0.000) 8.070 24.008 ( -0.184 0.000 0.000) 0.184 24.068 ( 19.855 -0.000 -0.000) 19.855 24.256 ( 4.423 -0.000 -0.000) 4.423 24.305 ( 12.196 -0.000 -0.000) 12.196 24.363 ( 1.984 -0.000 -0.000) 1.984 24.456 ( 1.919 -0.000 -0.000) 1.919 24.484 ( -0.053 0.000 0.000) 0.053 26.096 ( -12.217 0.000 0.000) 12.217 26.172 ( -7.521 0.000 0.000) 7.521 26.515 ( -23.886 0.000 0.000) 23.886 26.652 ( 0.669 -0.000 -0.000) 0.669 26.727 ( -3.142 0.000 0.000) 3.142 27.218 ( -27.902 0.000 0.000) 27.902 27.472 ( -18.822 0.000 0.000) 18.822 27.507 ( -18.034 0.000 0.000) 18.034 27.631 ( -22.733 0.000 0.000) 22.733 27.870 ( -27.052 0.000 0.000) 27.052 30.273 ( 20.474 -0.000 -0.000) 20.474 30.319 ( 18.324 -0.000 -0.000) 18.324 30.482 ( 13.052 -0.000 -0.000) 13.052 30.672 ( 20.237 -0.000 -0.000) 20.237 30.786 ( 15.231 -0.000 -0.000) 15.231 31.206 ( -2.196 0.000 0.000) 2.196 ======================= Grid point 325 (42/45) ======================= q-point: (-0.44 0.44 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.670 ( 64.962 -9.365 -0.000) 65.633 7.670 ( 65.353 -8.440 -0.000) 65.895 8.680 ( -13.631 52.574 0.000) 54.312 8.817 ( -19.028 56.929 0.000) 60.025 9.209 ( -8.282 4.269 0.000) 9.318 9.545 ( -18.941 -16.196 0.000) 24.922 9.591 ( 2.014 3.621 0.000) 4.143 10.000 ( -12.839 -5.778 0.000) 14.079 10.111 ( -0.758 -34.364 -0.000) 34.373 10.401 ( -11.177 -19.848 -0.000) 22.779 10.490 ( -15.971 -10.001 0.000) 18.844 10.851 ( -12.193 -6.603 0.000) 13.866 10.882 ( -40.016 -5.940 0.000) 40.454 10.995 ( 1.011 -9.457 -0.000) 9.511 11.053 ( -30.765 -10.967 0.000) 32.661 11.362 ( 18.527 -28.167 -0.000) 33.714 11.737 ( -19.383 7.328 0.000) 20.721 11.808 ( -15.110 -8.596 0.000) 17.384 12.007 ( -3.648 -8.152 -0.000) 8.931 12.117 ( 40.785 -10.186 -0.000) 42.038 12.187 ( -17.699 -4.784 0.000) 18.334 13.093 ( -5.490 70.428 0.000) 70.642 13.878 ( -3.518 0.911 0.000) 3.634 14.186 ( -4.576 -2.098 0.000) 5.034 14.303 ( 16.506 14.406 -0.000) 21.908 14.476 ( 2.573 -8.939 -0.000) 9.302 14.555 ( 8.193 -3.711 -0.000) 8.994 14.560 ( 7.676 4.782 -0.000) 9.044 14.729 ( 11.821 -5.992 -0.000) 13.253 14.775 ( 3.853 3.456 -0.000) 5.176 14.881 ( 9.274 -5.286 -0.000) 10.674 15.126 ( -14.319 3.072 0.000) 14.644 15.131 ( -7.406 -2.650 0.000) 7.865 15.294 ( -1.537 -1.934 -0.000) 2.470 15.321 ( -4.262 6.071 0.000) 7.417 15.607 ( 8.985 3.068 -0.000) 9.495 15.680 ( 7.774 4.981 -0.000) 9.232 15.741 ( 9.244 -3.135 -0.000) 9.761 15.994 ( -10.445 1.885 0.000) 10.614 16.125 ( -2.602 -24.389 -0.000) 24.527 16.175 ( 8.050 -9.633 -0.000) 12.554 16.449 ( 23.185 3.704 -0.000) 23.479 16.464 ( -7.703 -0.411 0.000) 7.714 16.721 ( -22.618 0.735 0.000) 22.630 16.852 ( 9.714 3.781 -0.000) 10.424 17.144 ( 4.031 5.331 0.000) 6.683 17.256 ( -0.309 -6.014 -0.000) 6.022 17.378 ( -14.012 3.878 0.000) 14.539 17.443 ( -7.723 -2.050 0.000) 7.990 17.644 ( 11.836 0.470 -0.000) 11.846 17.847 ( -2.870 12.935 0.000) 13.249 17.881 ( 5.155 -7.421 -0.000) 9.036 17.950 ( 1.657 0.955 -0.000) 1.912 18.144 ( -3.613 -2.639 0.000) 4.474 18.159 ( -2.861 -5.562 -0.000) 6.255 18.286 ( 3.588 4.506 0.000) 5.760 18.303 ( 3.935 -3.670 -0.000) 5.381 18.327 ( -1.406 2.181 0.000) 2.594 18.563 ( -4.437 0.493 0.000) 4.464 18.599 ( -9.104 7.705 0.000) 11.927 18.796 ( -5.616 -8.268 -0.000) 9.995 18.898 ( -12.679 -4.208 0.000) 13.360 18.904 ( -7.435 -6.063 0.000) 9.594 18.986 ( 1.580 -3.150 -0.000) 3.524 19.148 ( -0.888 0.185 0.000) 0.908 19.208 ( -12.792 -1.180 0.000) 12.846 19.550 ( 15.553 9.772 -0.000) 18.368 19.718 ( 6.511 4.462 -0.000) 7.893 19.853 ( 2.861 -2.834 -0.000) 4.027 20.042 ( 9.117 -6.052 -0.000) 10.943 20.326 ( -2.996 15.247 0.000) 15.539 20.498 ( 6.767 5.740 -0.000) 8.873 20.635 ( 12.826 2.163 -0.000) 13.007 20.705 ( -7.394 -8.504 -0.000) 11.269 20.758 ( -5.146 -0.625 0.000) 5.184 20.862 ( 15.594 0.380 -0.000) 15.599 20.933 ( -4.015 -2.024 0.000) 4.497 20.978 ( -1.003 2.472 0.000) 2.668 21.038 ( 5.012 5.118 -0.000) 7.164 21.168 ( 10.972 4.891 -0.000) 12.013 21.172 ( 11.516 -5.493 -0.000) 12.759 21.556 ( -8.064 16.433 0.000) 18.305 21.661 ( 4.501 -0.011 -0.000) 4.501 21.689 ( 1.256 -0.161 -0.000) 1.266 21.816 ( 0.450 -0.153 -0.000) 0.476 21.957 ( -4.275 -3.571 0.000) 5.570 22.103 ( -7.737 -1.610 0.000) 7.903 22.139 ( -2.065 -1.258 0.000) 2.418 22.224 ( -8.373 -9.133 -0.000) 12.390 22.653 ( -9.201 -3.681 0.000) 9.910 22.991 ( 18.599 5.095 -0.000) 19.284 23.065 ( 11.322 10.928 -0.000) 15.736 23.205 ( 7.714 2.476 -0.000) 8.101 23.880 ( 13.378 1.559 -0.000) 13.469 23.886 ( 4.323 -0.615 -0.000) 4.366 23.949 ( -0.415 2.580 0.000) 2.613 24.080 ( 3.285 0.864 -0.000) 3.396 24.129 ( 4.349 -2.993 -0.000) 5.279 24.248 ( 7.510 4.808 -0.000) 8.917 24.293 ( 5.081 0.488 -0.000) 5.105 24.372 ( 4.562 4.491 -0.000) 6.401 24.413 ( 6.509 3.956 -0.000) 7.618 24.491 ( 6.091 5.091 -0.000) 7.938 24.495 ( 2.822 0.787 -0.000) 2.930 26.017 ( -11.156 -5.659 0.000) 12.509 26.050 ( -9.840 -10.169 -0.000) 14.150 26.196 ( -19.603 -0.659 0.000) 19.614 26.698 ( -1.916 -0.066 0.000) 1.917 26.750 ( 3.571 -7.727 -0.000) 8.512 26.945 ( -16.995 -3.724 0.000) 17.398 27.270 ( -16.535 -7.002 0.000) 17.957 27.308 ( -16.563 -7.701 0.000) 18.266 27.442 ( -16.429 -13.679 0.000) 21.378 27.551 ( -24.368 -6.706 0.000) 25.274 30.488 ( 14.476 8.880 -0.000) 16.982 30.496 ( 16.223 4.777 -0.000) 16.912 30.589 ( 8.918 6.651 -0.000) 11.125 30.920 ( 11.803 7.026 -0.000) 13.736 30.928 ( 15.302 -0.366 -0.000) 15.306 31.126 ( -1.593 7.434 0.000) 7.602 ======================= Grid point 326 (43/45) ======================= q-point: (-0.33 0.44 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.655 ( 64.271 -0.000 8.492) 64.830 7.692 ( 66.163 -0.000 10.300) 66.960 8.704 ( -10.833 -0.000 -55.224) 56.277 8.748 ( -18.978 -0.000 -51.447) 54.836 9.242 ( -10.648 0.000 -7.708) 13.145 9.558 ( -20.356 0.000 15.795) 25.765 9.618 ( 0.940 -0.000 -6.418) 6.487 9.971 ( -9.261 0.000 13.431) 16.315 10.067 ( -2.464 0.000 22.392) 22.527 10.414 ( -10.986 0.000 43.747) 45.106 10.558 ( -18.446 0.000 -8.326) 20.238 10.842 ( -23.608 0.000 5.101) 24.152 10.878 ( -12.155 0.000 3.728) 12.714 10.924 ( -23.563 0.000 14.140) 27.480 11.117 ( -28.286 0.000 14.908) 31.974 11.316 ( 25.438 -0.000 20.744) 32.824 11.764 ( -24.991 0.000 2.736) 25.140 11.873 ( -24.190 0.000 8.133) 25.521 11.932 ( 25.877 -0.000 2.079) 25.960 12.097 ( 9.672 -0.000 3.812) 10.396 12.194 ( 0.257 0.000 8.636) 8.640 13.169 ( -11.544 -0.000 -70.409) 71.350 13.826 ( 1.630 0.000 1.630) 2.305 14.145 ( -0.407 0.000 3.410) 3.434 14.339 ( 10.768 -0.000 -11.546) 15.788 14.410 ( 12.346 -0.000 -3.058) 12.719 14.522 ( 7.020 -0.000 1.468) 7.172 14.632 ( 4.562 0.000 4.760) 6.593 14.692 ( 10.392 -0.000 6.542) 12.280 14.743 ( 6.621 -0.000 -1.698) 6.836 15.040 ( 3.177 0.000 5.146) 6.048 15.111 ( 7.786 -0.000 3.293) 8.453 15.112 ( -12.703 0.000 -6.804) 14.410 15.194 ( -11.555 0.000 -1.751) 11.687 15.354 ( -3.805 0.000 -2.193) 4.392 15.656 ( 2.927 -0.000 -2.381) 3.773 15.740 ( 3.342 -0.000 -7.916) 8.592 15.816 ( 4.077 0.000 9.366) 10.215 15.880 ( -1.470 -0.000 -1.529) 2.121 16.003 ( 2.798 0.000 16.409) 16.646 16.303 ( 6.336 0.000 24.697) 25.497 16.394 ( 8.917 -0.000 -10.214) 13.559 16.491 ( 0.157 -0.000 0.025) 0.159 16.708 ( -20.018 0.000 -4.249) 20.464 16.838 ( 12.088 -0.000 -4.454) 12.883 17.185 ( 1.465 -0.000 -4.577) 4.806 17.233 ( -0.535 0.000 3.864) 3.901 17.375 ( -9.773 0.000 1.130) 9.838 17.470 ( -13.801 0.000 1.264) 13.859 17.636 ( 14.264 -0.000 0.665) 14.280 17.764 ( 1.743 -0.000 -8.190) 8.373 17.945 ( 2.473 -0.000 -1.418) 2.850 18.027 ( -11.318 0.000 0.898) 11.354 18.057 ( 8.838 -0.000 1.906) 9.041 18.112 ( -0.372 0.000 1.779) 1.817 18.281 ( 2.752 -0.000 -0.453) 2.789 18.309 ( 1.032 -0.000 0.110) 1.038 18.395 ( 2.083 0.000 4.262) 4.744 18.544 ( -10.712 0.000 -8.036) 13.392 18.641 ( -8.006 0.000 -3.744) 8.838 18.786 ( -5.330 0.000 12.152) 13.270 18.851 ( -8.392 0.000 1.261) 8.486 18.931 ( -10.710 0.000 6.805) 12.689 18.992 ( 0.954 0.000 3.321) 3.456 19.138 ( -0.201 -0.000 -0.802) 0.826 19.206 ( -11.436 0.000 0.457) 11.445 19.640 ( 8.756 -0.000 -12.367) 15.153 19.674 ( 10.474 -0.000 -1.548) 10.588 19.754 ( 9.682 -0.000 0.652) 9.704 20.043 ( 9.320 -0.000 1.750) 9.483 20.428 ( -13.842 0.000 -9.734) 16.921 20.488 ( 7.361 -0.000 -4.420) 8.586 20.645 ( -3.725 0.000 7.113) 8.030 20.662 ( 12.759 -0.000 -0.363) 12.765 20.794 ( -7.392 0.000 3.546) 8.199 20.876 ( 14.662 -0.000 2.872) 14.941 20.885 ( 3.167 -0.000 -5.536) 6.378 20.980 ( 0.423 -0.000 -2.499) 2.535 21.012 ( 1.062 -0.000 -4.338) 4.466 21.166 ( 11.394 -0.000 -5.176) 12.514 21.186 ( 12.359 -0.000 5.572) 13.557 21.529 ( -6.020 -0.000 -14.418) 15.624 21.671 ( 8.899 -0.000 -2.394) 9.215 21.721 ( -6.783 0.000 0.699) 6.819 21.817 ( 0.278 -0.000 0.167) 0.325 21.969 ( -5.433 0.000 3.681) 6.563 22.062 ( -4.277 0.000 2.436) 4.922 22.155 ( -3.748 0.000 0.876) 3.849 22.231 ( -8.634 0.000 8.806) 12.332 22.648 ( -8.703 0.000 3.377) 9.335 22.989 ( 17.617 -0.000 -5.196) 18.368 23.088 ( 10.911 -0.000 -11.179) 15.621 23.175 ( 10.039 -0.000 -2.673) 10.388 23.864 ( 5.339 -0.000 -1.088) 5.449 23.894 ( 13.074 -0.000 -0.858) 13.102 23.983 ( -2.527 0.000 -0.592) 2.596 24.066 ( 4.116 -0.000 -2.327) 4.728 24.124 ( 3.128 0.000 4.327) 5.339 24.260 ( 6.304 -0.000 -4.353) 7.661 24.291 ( 5.569 -0.000 -0.288) 5.576 24.391 ( 7.079 -0.000 -7.356) 10.209 24.398 ( 4.113 -0.000 -1.332) 4.323 24.488 ( 3.671 -0.000 -1.121) 3.839 24.489 ( 6.412 -0.000 -5.312) 8.327 25.974 ( -8.874 0.000 5.238) 10.305 26.071 ( -9.671 0.000 8.025) 12.567 26.216 ( -22.118 0.000 3.204) 22.349 26.688 ( 0.995 -0.000 -0.252) 1.027 26.778 ( 0.423 0.000 10.320) 10.328 26.927 ( -16.706 0.000 1.395) 16.764 27.263 ( -15.642 0.000 6.477) 16.929 27.314 ( -16.918 0.000 8.019) 18.722 27.441 ( -16.765 0.000 13.683) 21.640 27.554 ( -24.341 0.000 6.852) 25.287 30.467 ( 16.405 -0.000 -8.138) 18.312 30.533 ( 13.885 -0.000 -3.288) 14.269 30.574 ( 9.228 -0.000 -8.822) 12.766 30.881 ( 15.180 -0.000 -5.673) 16.206 30.975 ( 12.239 -0.000 0.288) 12.242 31.117 ( -1.815 -0.000 -8.766) 8.952 ======================= Grid point 335 (44/45) ======================= q-point: (-0.44 -0.44 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.419 ( 19.363 19.363 -19.363) 33.537 8.450 ( 8.091 1.031 -36.335) 37.239 8.450 ( 22.213 29.274 6.030) 37.239 8.757 ( 3.893 -3.167 -32.136) 32.525 8.757 ( 18.015 25.075 10.228) 32.525 8.906 ( 12.043 12.043 -12.043) 20.860 10.032 ( -8.649 -13.468 -10.629) 19.214 10.032 ( 0.990 5.809 18.288) 19.214 10.150 ( -12.307 -12.307 12.307) 21.316 10.339 ( -22.758 -26.664 7.133) 35.774 10.339 ( -14.945 -11.039 30.570) 35.774 10.340 ( -20.038 -20.038 20.038) 34.707 10.795 ( -14.204 -14.771 11.937) 23.716 10.795 ( -13.071 -12.504 15.338) 23.716 10.937 ( -18.309 -18.309 18.309) 31.711 11.577 ( -7.784 -9.781 -0.205) 12.502 11.577 ( -3.789 -1.792 11.778) 12.502 11.597 ( -7.479 -7.479 7.479) 12.953 12.034 ( -5.921 -6.945 1.825) 9.308 12.034 ( -3.873 -2.849 7.969) 9.308 13.062 ( 14.351 5.755 -48.735) 51.129 13.062 ( 31.543 40.139 2.841) 51.129 13.106 ( 20.256 20.256 -20.256) 35.085 14.438 ( 2.865 1.969 -6.449) 7.326 14.438 ( 4.657 5.553 -1.073) 7.326 14.469 ( -5.923 -5.923 5.923) 10.258 14.587 ( 0.524 -0.108 -3.049) 3.096 14.587 ( 1.786 2.418 0.739) 3.096 14.681 ( 4.473 4.473 -4.473) 7.748 14.949 ( -0.779 -0.779 0.779) 1.350 14.972 ( -0.246 -0.795 -1.948) 2.118 14.972 ( 0.851 1.400 1.343) 2.118 15.184 ( -4.299 -6.780 -5.624) 9.802 15.184 ( 0.663 3.144 9.261) 9.802 15.275 ( 0.479 0.479 -0.479) 0.830 15.724 ( 1.862 0.602 -6.904) 7.176 15.724 ( 4.383 5.643 0.658) 7.176 15.879 ( -1.842 -1.842 1.842) 3.190 16.062 ( -8.193 -10.167 0.291) 13.060 16.062 ( -4.241 -2.266 12.143) 13.060 16.062 ( -11.539 -11.541 11.540) 19.988 16.464 ( -10.251 -12.682 0.525) 16.316 16.464 ( -5.388 -2.957 15.114) 16.316 16.642 ( 11.991 11.991 -11.991) 20.769 16.931 ( 9.416 9.416 -9.416) 16.308 17.222 ( -1.425 -2.574 -3.172) 4.327 17.222 ( 0.874 2.023 3.724) 4.327 17.296 ( -4.856 -6.621 -2.203) 8.502 17.296 ( -1.326 0.438 8.386) 8.502 17.775 ( 6.149 6.149 -6.149) 10.650 17.867 ( -1.090 -2.640 -5.107) 5.851 17.867 ( 2.008 3.558 4.189) 5.851 17.941 ( -2.084 -2.084 2.084) 3.609 18.015 ( 5.554 5.554 -5.554) 9.620 18.228 ( -3.336 -3.336 3.336) 5.778 18.339 ( 1.519 0.965 -3.735) 4.146 18.339 ( 2.627 3.181 -0.412) 4.146 18.396 ( -1.965 -1.965 1.965) 3.403 18.493 ( -1.729 -2.844 -2.732) 4.306 18.493 ( 0.502 1.617 3.959) 4.306 18.765 ( -5.969 -5.969 5.969) 10.338 18.812 ( -7.440 -8.430 3.481) 11.770 18.812 ( -5.460 -4.471 9.420) 11.770 19.053 ( -3.923 -5.433 -2.120) 7.029 19.053 ( -0.901 0.610 6.944) 7.029 19.155 ( 0.104 0.104 -0.104) 0.180 19.703 ( 5.620 4.546 -9.913) 12.269 19.703 ( 7.767 8.840 -3.473) 12.269 19.901 ( -0.086 -0.086 0.086) 0.149 20.187 ( -0.064 -2.551 -9.884) 10.208 20.187 ( 4.910 7.397 5.038) 10.208 20.554 ( -0.918 -0.918 0.918) 1.591 20.670 ( -5.257 -6.429 0.567) 8.324 20.670 ( -2.912 -1.739 7.602) 8.324 20.818 ( 2.457 0.488 -10.332) 10.632 20.818 ( 6.395 8.364 1.481) 10.632 21.000 ( -1.825 -1.825 1.825) 3.161 21.027 ( 6.159 5.266 -9.732) 12.664 21.027 ( 7.946 8.839 -4.373) 12.664 21.253 ( 7.368 7.368 -7.368) 12.761 21.373 ( 0.239 0.239 -0.239) 0.413 21.505 ( 0.138 -1.441 -6.458) 6.618 21.505 ( 3.298 4.878 3.021) 6.618 21.775 ( 6.198 6.198 -6.198) 10.735 21.827 ( -0.192 -0.192 0.192) 0.332 21.983 ( -5.076 -6.123 0.889) 8.003 21.983 ( -2.982 -1.936 7.170) 8.003 22.155 ( -4.789 -5.277 2.836) 7.670 22.155 ( -3.813 -3.324 5.765) 7.670 22.569 ( -6.258 -6.258 6.258) 10.839 23.113 ( 9.565 9.565 -9.565) 16.566 23.217 ( 5.103 3.916 -9.851) 11.765 23.217 ( 7.477 8.664 -2.729) 11.765 23.914 ( 1.574 1.001 -3.866) 4.292 23.914 ( 2.720 3.293 -0.428) 4.292 24.058 ( -0.071 -1.564 -5.902) 6.106 24.058 ( 2.916 4.409 3.057) 6.106 24.142 ( -1.302 -1.302 1.302) 2.254 24.307 ( 1.379 1.061 -2.651) 3.171 24.307 ( 2.015 2.333 -0.743) 3.171 24.439 ( 4.661 4.341 -5.942) 8.710 24.439 ( 5.301 5.621 -4.021) 8.710 24.514 ( 2.458 2.458 -2.458) 4.257 24.553 ( 5.937 5.937 -5.937) 10.283 25.951 ( -6.680 -6.680 6.680) 11.571 26.001 ( -9.893 -10.853 6.055) 15.885 26.001 ( -7.974 -7.015 11.813) 15.885 26.688 ( 0.624 0.624 -0.624) 1.080 26.820 ( -3.768 -4.476 0.935) 5.925 26.820 ( -2.351 -1.643 5.184) 5.925 27.145 ( -7.341 -7.341 7.341) 12.714 27.188 ( -10.954 -10.954 10.954) 18.973 27.338 ( -12.577 -13.263 9.832) 20.755 27.338 ( -11.204 -10.518 13.949) 20.755 30.605 ( 7.136 6.644 -9.108) 13.342 30.605 ( 8.122 8.615 -6.151) 13.342 30.641 ( 5.847 5.847 -5.847) 10.128 31.047 ( 4.751 4.751 -4.751) 8.229 31.051 ( 3.727 2.819 -7.363) 8.720 31.051 ( 5.545 6.454 -1.910) 8.720 ======================= Grid point 424 (45/45) ======================= q-point: (-0.44 0.44 0.44) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.437 ( 54.849 -0.000 -0.000) 54.849 8.507 ( 61.220 -0.000 -0.000) 61.220 8.961 ( -9.715 0.000 0.000) 9.715 9.173 ( -6.367 0.000 0.000) 6.367 9.198 ( -10.145 0.000 0.000) 10.145 9.309 ( -4.651 0.000 0.000) 4.651 9.636 ( 2.185 -0.000 -0.000) 2.185 9.717 ( 4.371 -0.000 -0.000) 4.371 9.811 ( -7.517 0.000 0.000) 7.517 9.830 ( -4.766 0.000 0.000) 4.766 10.235 ( -46.040 0.000 0.000) 46.040 10.247 ( -46.861 0.000 0.000) 46.861 10.554 ( -4.652 0.000 0.000) 4.652 10.619 ( -12.208 0.000 0.000) 12.208 10.668 ( -19.146 0.000 0.000) 19.146 11.418 ( 5.851 -0.000 -0.000) 5.851 11.521 ( -10.515 0.000 0.000) 10.515 11.545 ( -13.686 0.000 0.000) 13.686 11.946 ( 1.067 -0.000 -0.000) 1.067 12.001 ( -6.900 0.000 0.000) 6.900 13.025 ( 77.868 -0.000 -0.000) 77.868 13.846 ( 1.959 -0.000 -0.000) 1.959 13.864 ( -0.527 0.000 0.000) 0.527 14.107 ( -1.068 0.000 0.000) 1.068 14.120 ( -2.862 0.000 0.000) 2.862 14.481 ( -15.776 0.000 0.000) 15.776 14.672 ( 13.091 -0.000 -0.000) 13.091 14.806 ( 7.638 -0.000 -0.000) 7.638 14.829 ( 3.558 -0.000 -0.000) 3.558 14.898 ( 15.053 -0.000 -0.000) 15.053 14.913 ( 6.115 -0.000 -0.000) 6.115 14.998 ( -4.646 0.000 0.000) 4.646 15.088 ( -7.454 0.000 0.000) 7.454 15.120 ( -4.660 0.000 0.000) 4.660 15.268 ( -13.042 0.000 0.000) 13.042 15.769 ( 5.688 -0.000 -0.000) 5.688 15.790 ( 3.108 -0.000 -0.000) 3.108 15.816 ( 5.752 -0.000 -0.000) 5.752 15.820 ( -1.537 0.000 0.000) 1.537 15.902 ( -5.834 0.000 0.000) 5.834 16.098 ( -30.612 0.000 0.000) 30.612 16.244 ( 7.308 -0.000 -0.000) 7.308 16.433 ( -18.123 0.000 0.000) 18.123 16.826 ( 19.202 -0.000 -0.000) 19.202 17.087 ( 12.954 -0.000 -0.000) 12.954 17.194 ( -0.796 0.000 0.000) 0.796 17.222 ( 1.953 -0.000 -0.000) 1.953 17.229 ( -7.124 0.000 0.000) 7.124 17.310 ( -8.510 0.000 0.000) 8.510 17.814 ( 9.885 -0.000 -0.000) 9.885 17.880 ( -6.964 0.000 0.000) 6.964 17.897 ( 1.276 -0.000 -0.000) 1.276 17.912 ( -4.105 0.000 0.000) 4.105 18.059 ( -0.338 0.000 0.000) 0.338 18.181 ( 8.130 -0.000 -0.000) 8.130 18.350 ( 6.264 -0.000 -0.000) 6.264 18.390 ( 8.746 -0.000 -0.000) 8.746 18.395 ( 4.460 -0.000 -0.000) 4.460 18.522 ( -10.064 0.000 0.000) 10.064 18.556 ( -5.039 0.000 0.000) 5.039 18.618 ( -2.405 0.000 0.000) 2.405 18.654 ( -13.953 0.000 0.000) 13.953 18.731 ( -11.206 0.000 0.000) 11.206 18.977 ( 1.330 -0.000 -0.000) 1.330 19.050 ( -8.788 0.000 0.000) 8.788 19.163 ( 1.334 -0.000 -0.000) 1.334 19.820 ( 7.202 -0.000 -0.000) 7.202 19.838 ( 4.724 -0.000 -0.000) 4.724 19.842 ( 4.116 -0.000 -0.000) 4.116 20.137 ( 10.253 -0.000 -0.000) 10.253 20.327 ( -12.861 0.000 0.000) 12.861 20.532 ( 0.232 -0.000 -0.000) 0.232 20.539 ( -0.112 0.000 0.000) 0.112 20.624 ( -10.168 0.000 0.000) 10.168 20.878 ( 10.427 -0.000 -0.000) 10.427 20.927 ( 2.415 -0.000 -0.000) 2.415 20.968 ( -2.397 0.000 0.000) 2.397 21.143 ( 19.428 -0.000 -0.000) 19.428 21.215 ( 11.689 -0.000 -0.000) 11.689 21.272 ( 10.998 -0.000 -0.000) 10.998 21.357 ( 6.985 -0.000 -0.000) 6.985 21.541 ( -9.893 0.000 0.000) 9.893 21.568 ( -11.391 0.000 0.000) 11.391 21.815 ( 0.064 -0.000 -0.000) 0.064 21.855 ( -2.695 0.000 0.000) 2.695 21.914 ( 17.597 -0.000 -0.000) 17.597 21.928 ( -11.198 0.000 0.000) 11.198 22.107 ( -1.550 0.000 0.000) 1.550 22.110 ( -2.025 0.000 0.000) 2.025 22.444 ( -14.539 0.000 0.000) 14.539 23.265 ( 13.641 -0.000 -0.000) 13.641 23.311 ( 7.591 -0.000 -0.000) 7.591 23.315 ( 6.895 -0.000 -0.000) 6.895 23.921 ( 2.054 -0.000 -0.000) 2.054 23.952 ( -2.386 0.000 0.000) 2.386 24.047 ( 8.327 -0.000 -0.000) 8.327 24.111 ( -0.098 0.000 0.000) 0.098 24.116 ( -0.741 0.000 0.000) 0.741 24.326 ( 1.130 -0.000 -0.000) 1.130 24.329 ( 1.009 -0.000 -0.000) 1.009 24.502 ( 7.769 -0.000 -0.000) 7.769 24.534 ( 4.603 -0.000 -0.000) 4.603 24.546 ( 2.869 -0.000 -0.000) 2.869 24.654 ( 8.582 -0.000 -0.000) 8.582 25.821 ( -6.387 0.000 0.000) 6.387 25.845 ( -9.691 0.000 0.000) 9.691 25.905 ( -17.312 0.000 0.000) 17.312 26.722 ( 3.904 -0.000 -0.000) 3.904 26.792 ( 7.755 -0.000 -0.000) 7.755 26.813 ( 0.895 -0.000 -0.000) 0.895 27.028 ( -14.773 0.000 0.000) 14.773 27.029 ( -10.463 0.000 0.000) 10.463 27.106 ( -14.947 0.000 0.000) 14.947 27.177 ( -21.672 0.000 0.000) 21.672 30.705 ( 9.013 -0.000 -0.000) 9.013 30.710 ( 8.230 -0.000 -0.000) 8.230 30.733 ( 4.971 -0.000 -0.000) 4.971 31.087 ( 8.452 -0.000 -0.000) 8.452 31.101 ( 6.464 -0.000 -0.000) 6.464 31.155 ( -1.284 0.000 0.000) 1.284 =================== 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 3/87480 10.0 6711.020 6711.020 6711.020 0.000 -0.000 -0.000 3/87480 20.0 51791.115 51791.115 51791.115 0.000 -0.000 -0.000 3/87480 30.0 31682.335 31682.335 31682.335 0.000 -0.000 -0.000 3/87480 40.0 17598.334 17598.334 17598.334 0.000 -0.000 -0.000 3/87480 50.0 9945.560 9945.560 9945.560 0.000 -0.000 -0.000 3/87480 60.0 5630.626 5630.626 5630.626 0.000 -0.000 -0.000 3/87480 70.0 3253.655 3253.655 3253.655 0.000 -0.000 -0.000 3/87480 80.0 1961.177 1961.177 1961.177 0.000 -0.000 -0.000 3/87480 90.0 1245.867 1245.867 1245.867 0.000 -0.000 -0.000 3/87480 100.0 834.653 834.653 834.653 0.000 -0.000 -0.000 3/87480 110.0 587.125 587.125 587.125 0.000 -0.000 -0.000 3/87480 120.0 431.050 431.050 431.050 0.000 -0.000 -0.000 3/87480 130.0 328.291 328.291 328.291 0.000 -0.000 -0.000 3/87480 140.0 257.963 257.963 257.963 0.000 -0.000 -0.000 3/87480 150.0 208.158 208.158 208.158 0.000 -0.000 -0.000 3/87480 160.0 171.817 171.817 171.817 0.000 -0.000 -0.000 3/87480 170.0 144.597 144.597 144.597 0.000 -0.000 -0.000 3/87480 180.0 123.735 123.735 123.735 0.000 -0.000 -0.000 3/87480 190.0 107.421 107.421 107.421 0.000 -0.000 -0.000 3/87480 200.0 94.433 94.433 94.433 0.000 -0.000 -0.000 3/87480 210.0 83.928 83.928 83.928 0.000 -0.000 -0.000 3/87480 220.0 75.310 75.310 75.310 0.000 -0.000 -0.000 3/87480 230.0 68.150 68.150 68.150 0.000 -0.000 -0.000 3/87480 240.0 62.132 62.132 62.132 0.000 -0.000 -0.000 3/87480 250.0 57.022 57.022 57.022 0.000 -0.000 -0.000 3/87480 260.0 52.643 52.643 52.643 0.000 -0.000 -0.000 3/87480 270.0 48.857 48.857 48.857 0.000 -0.000 -0.000 3/87480 280.0 45.558 45.558 45.558 0.000 -0.000 -0.000 3/87480 290.0 42.663 42.663 42.663 0.000 -0.000 -0.000 3/87480 300.0 40.107 40.107 40.107 0.000 -0.000 -0.000 3/87480 310.0 37.835 37.835 37.835 0.000 -0.000 -0.000 3/87480 320.0 35.804 35.804 35.804 0.000 -0.000 -0.000 3/87480 330.0 33.981 33.981 33.981 0.000 -0.000 -0.000 3/87480 340.0 32.335 32.335 32.335 0.000 -0.000 -0.000 3/87480 350.0 30.843 30.843 30.843 0.000 -0.000 -0.000 3/87480 360.0 29.485 29.485 29.485 0.000 -0.000 -0.000 3/87480 370.0 28.244 28.244 28.244 0.000 -0.000 -0.000 3/87480 380.0 27.106 27.106 27.106 0.000 -0.000 -0.000 3/87480 390.0 26.058 26.058 26.058 0.000 -0.000 -0.000 3/87480 400.0 25.092 25.092 25.092 0.000 -0.000 -0.000 3/87480 410.0 24.197 24.197 24.197 0.000 -0.000 -0.000 3/87480 420.0 23.366 23.366 23.366 0.000 -0.000 -0.000 3/87480 430.0 22.593 22.593 22.593 0.000 -0.000 -0.000 3/87480 440.0 21.871 21.871 21.871 0.000 -0.000 -0.000 3/87480 450.0 21.197 21.197 21.197 0.000 -0.000 -0.000 3/87480 460.0 20.564 20.564 20.564 0.000 -0.000 -0.000 3/87480 470.0 19.970 19.970 19.970 0.000 -0.000 -0.000 3/87480 480.0 19.412 19.412 19.412 0.000 -0.000 -0.000 3/87480 490.0 18.885 18.885 18.885 0.000 -0.000 -0.000 3/87480 500.0 18.388 18.388 18.388 0.000 -0.000 -0.000 3/87480 510.0 17.917 17.917 17.917 0.000 -0.000 -0.000 3/87480 520.0 17.472 17.472 17.472 0.000 -0.000 -0.000 3/87480 530.0 17.049 17.049 17.049 0.000 -0.000 -0.000 3/87480 540.0 16.647 16.647 16.647 0.000 -0.000 -0.000 3/87480 550.0 16.265 16.265 16.265 0.000 -0.000 -0.000 3/87480 560.0 15.901 15.901 15.901 0.000 -0.000 -0.000 3/87480 570.0 15.554 15.554 15.554 0.000 -0.000 -0.000 3/87480 580.0 15.222 15.222 15.222 0.000 -0.000 -0.000 3/87480 590.0 14.906 14.906 14.906 0.000 -0.000 -0.000 3/87480 600.0 14.602 14.602 14.602 0.000 -0.000 -0.000 3/87480 610.0 14.312 14.312 14.312 0.000 -0.000 -0.000 3/87480 620.0 14.034 14.034 14.034 0.000 -0.000 -0.000 3/87480 630.0 13.766 13.766 13.766 0.000 -0.000 -0.000 3/87480 640.0 13.510 13.510 13.510 0.000 -0.000 -0.000 3/87480 650.0 13.263 13.263 13.263 0.000 -0.000 -0.000 3/87480 660.0 13.026 13.026 13.026 0.000 -0.000 -0.000 3/87480 670.0 12.797 12.797 12.797 0.000 -0.000 -0.000 3/87480 680.0 12.577 12.577 12.577 0.000 -0.000 -0.000 3/87480 690.0 12.364 12.364 12.364 0.000 -0.000 -0.000 3/87480 700.0 12.159 12.159 12.159 0.000 -0.000 -0.000 3/87480 710.0 11.961 11.961 11.961 0.000 -0.000 -0.000 3/87480 720.0 11.770 11.770 11.770 0.000 -0.000 -0.000 3/87480 730.0 11.585 11.585 11.585 0.000 -0.000 -0.000 3/87480 740.0 11.406 11.406 11.406 0.000 -0.000 -0.000 3/87480 750.0 11.233 11.233 11.233 0.000 -0.000 -0.000 3/87480 760.0 11.065 11.065 11.065 0.000 -0.000 -0.000 3/87480 770.0 10.902 10.902 10.902 0.000 -0.000 -0.000 3/87480 780.0 10.745 10.745 10.745 0.000 -0.000 -0.000 3/87480 790.0 10.592 10.592 10.592 0.000 -0.000 -0.000 3/87480 800.0 10.443 10.443 10.443 0.000 -0.000 -0.000 3/87480 810.0 10.299 10.299 10.299 0.000 -0.000 -0.000 3/87480 820.0 10.159 10.159 10.159 0.000 -0.000 -0.000 3/87480 830.0 10.023 10.023 10.023 0.000 -0.000 -0.000 3/87480 840.0 9.891 9.891 9.891 0.000 -0.000 -0.000 3/87480 850.0 9.762 9.762 9.762 0.000 -0.000 -0.000 3/87480 860.0 9.637 9.637 9.637 0.000 -0.000 -0.000 3/87480 870.0 9.515 9.515 9.515 0.000 -0.000 -0.000 3/87480 880.0 9.396 9.396 9.396 0.000 -0.000 -0.000 3/87480 890.0 9.280 9.280 9.280 0.000 -0.000 -0.000 3/87480 900.0 9.167 9.167 9.167 0.000 -0.000 -0.000 3/87480 910.0 9.057 9.057 9.057 0.000 -0.000 -0.000 3/87480 920.0 8.950 8.950 8.950 0.000 -0.000 -0.000 3/87480 930.0 8.846 8.846 8.846 0.000 -0.000 -0.000 3/87480 940.0 8.743 8.743 8.743 0.000 -0.000 -0.000 3/87480 950.0 8.644 8.644 8.644 0.000 -0.000 -0.000 3/87480 960.0 8.546 8.546 8.546 0.000 -0.000 -0.000 3/87480 970.0 8.451 8.451 8.451 0.000 -0.000 -0.000 3/87480 980.0 8.358 8.358 8.358 0.000 -0.000 -0.000 3/87480 990.0 8.267 8.267 8.267 0.000 -0.000 -0.000 3/87480 1000.0 8.179 8.179 8.179 0.000 -0.000 -0.000 3/87480 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:41:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|