----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:52:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.985138230000000 -6.987855845000000 0.000000000000000 b 2.985138230000000 6.987855845000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.346949280000000 Atomic positions (fractional): *1 H 0.23961904082767 0.76038095917233 0.14292982619909 1.008 2 H 0.76038095917233 0.23961904082767 0.85707017380091 1.008 3 H 0.26038095917233 0.73961904082767 0.64292982619909 1.008 4 H 0.73961904082767 0.26038095917233 0.35707017380091 1.008 *5 H 0.02484116328254 0.97515883671746 0.35410566575217 1.008 6 H 0.97515883671746 0.02484116328254 0.64589433424783 1.008 7 H 0.47515883671746 0.52484116328254 0.85410566575217 1.008 8 H 0.52484116328254 0.47515883671746 0.14589433424783 1.008 *9 H 0.13444905388458 0.36555094611542 0.25000000000000 1.008 10 H 0.36555094611542 0.13444905388458 0.75000000000000 1.008 11 H 0.86555094611542 0.63444905388458 0.75000000000000 1.008 12 H 0.63444905388458 0.86555094611542 0.25000000000000 1.008 *13 H 0.38392303394881 0.18384686639807 0.96238945263824 1.008 14 H 0.18384686639807 0.38392303394881 0.03761054736176 1.008 15 H 0.68384686639807 0.88392303394881 0.46238945263824 1.008 16 H 0.88392303394881 0.68384686639807 0.53761054736176 1.008 17 H 0.81615313360193 0.61607696605119 0.96238945263824 1.008 18 H 0.61607696605119 0.81615313360193 0.03761054736176 1.008 19 H 0.31615313360193 0.11607696605119 0.53761054736176 1.008 20 H 0.11607696605119 0.31615313360193 0.46238945263824 1.008 *21 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 22 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 *23 Mg 0.37429885159918 0.62570114840082 0.15545829822502 24.305 24 Mg 0.62570114840082 0.37429885159918 0.84454170177498 24.305 25 Mg 0.12570114840082 0.87429885159918 0.65545829822502 24.305 26 Mg 0.87429885159918 0.12570114840082 0.34454170177498 24.305 *27 Rb 0.03795787330942 0.96204212669058 0.13924263689288 85.468 28 Rb 0.96204212669058 0.03795787330942 0.86075736310712 85.468 29 Rb 0.46204212669058 0.53795787330942 0.63924263689288 85.468 30 Rb 0.53795787330942 0.46204212669058 0.36075736310712 85.468 *31 Rb 0.24219467454908 0.75780532545092 0.39591054280098 85.468 32 Rb 0.75780532545092 0.24219467454908 0.60408945719902 85.468 33 Rb 0.25780532545092 0.74219467454908 0.89591054280098 85.468 34 Rb 0.74219467454908 0.25780532545092 0.10408945719902 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.970276460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.975711690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.346949280000000 Atomic positions (fractional): *1 H 0.50000000000000 0.26038095917233 0.14292982619909 1.008 > 1 2 H 0.00000000000000 0.23961904082767 0.85707017380091 1.008 > 2 3 H 0.50000000000000 0.23961904082767 0.64292982619909 1.008 > 3 4 H 0.00000000000000 0.26038095917233 0.35707017380091 1.008 > 4 *5 H 0.50000000000000 0.47515883671746 0.35410566575217 1.008 > 5 6 H 0.00000000000000 0.02484116328254 0.64589433424783 1.008 > 6 7 H 0.50000000000000 0.02484116328254 0.85410566575217 1.008 > 7 8 H 0.00000000000000 0.47515883671746 0.14589433424783 1.008 > 8 *9 H 0.25000000000000 0.11555094611542 0.25000000000000 1.008 > 9 10 H 0.75000000000000 0.38444905388458 0.75000000000000 1.008 > 10 11 H 0.25000000000000 0.38444905388458 0.75000000000000 1.008 > 11 12 H 0.75000000000000 0.11555094611542 0.25000000000000 1.008 > 12 *13 H 0.78388495017344 0.39996191622463 0.96238945263824 1.008 > 13 14 H 0.28388495017344 0.10003808377537 0.03761054736176 1.008 > 14 15 H 0.78388495017344 0.10003808377537 0.46238945263824 1.008 > 15 16 H 0.28388495017344 0.39996191622463 0.53761054736176 1.008 > 16 17 H 0.21611504982656 0.39996191622463 0.96238945263824 1.008 > 17 18 H 0.71611504982656 0.10003808377537 0.03761054736176 1.008 > 18 19 H 0.71611504982656 0.39996191622463 0.53761054736176 1.008 > 19 20 H 0.21611504982656 0.10003808377537 0.46238945263824 1.008 > 20 21 H 0.00000000000000 0.76038095917233 0.14292982619909 1.008 > 1 22 H 0.50000000000000 0.73961904082767 0.85707017380091 1.008 > 2 23 H 0.00000000000000 0.73961904082767 0.64292982619909 1.008 > 3 24 H 0.50000000000000 0.76038095917233 0.35707017380091 1.008 > 4 25 H 0.00000000000000 0.97515883671746 0.35410566575217 1.008 > 5 26 H 0.50000000000000 0.52484116328254 0.64589433424783 1.008 > 6 27 H 0.00000000000000 0.52484116328254 0.85410566575217 1.008 > 7 28 H 0.50000000000000 0.97515883671746 0.14589433424783 1.008 > 8 29 H 0.75000000000000 0.61555094611542 0.25000000000000 1.008 > 9 30 H 0.25000000000000 0.88444905388458 0.75000000000000 1.008 > 10 31 H 0.75000000000000 0.88444905388458 0.75000000000000 1.008 > 11 32 H 0.25000000000000 0.61555094611542 0.25000000000000 1.008 > 12 33 H 0.28388495017344 0.89996191622463 0.96238945263824 1.008 > 13 34 H 0.78388495017344 0.60003808377537 0.03761054736176 1.008 > 14 35 H 0.28388495017344 0.60003808377537 0.46238945263824 1.008 > 15 36 H 0.78388495017344 0.89996191622463 0.53761054736176 1.008 > 16 37 H 0.71611504982656 0.89996191622463 0.96238945263824 1.008 > 17 38 H 0.21611504982656 0.60003808377537 0.03761054736176 1.008 > 18 39 H 0.21611504982656 0.89996191622463 0.53761054736176 1.008 > 19 40 H 0.71611504982656 0.60003808377537 0.46238945263824 1.008 > 20 *41 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 21 42 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 22 *43 Mg 0.50000000000000 0.12570114840082 0.15545829822502 24.305 > 23 44 Mg 0.00000000000000 0.37429885159918 0.84454170177498 24.305 > 24 45 Mg 0.50000000000000 0.37429885159918 0.65545829822502 24.305 > 25 46 Mg 0.00000000000000 0.12570114840082 0.34454170177498 24.305 > 26 47 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 21 48 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 22 49 Mg 0.00000000000000 0.62570114840082 0.15545829822502 24.305 > 23 50 Mg 0.50000000000000 0.87429885159918 0.84454170177498 24.305 > 24 51 Mg 0.00000000000000 0.87429885159918 0.65545829822502 24.305 > 25 52 Mg 0.50000000000000 0.62570114840082 0.34454170177498 24.305 > 26 *53 Rb 0.50000000000000 0.46204212669058 0.13924263689288 85.468 > 27 54 Rb 0.00000000000000 0.03795787330942 0.86075736310712 85.468 > 28 55 Rb 0.50000000000000 0.03795787330942 0.63924263689288 85.468 > 29 56 Rb 0.00000000000000 0.46204212669058 0.36075736310712 85.468 > 30 *57 Rb 0.50000000000000 0.25780532545092 0.39591054280098 85.468 > 31 58 Rb 0.00000000000000 0.24219467454908 0.60408945719902 85.468 > 32 59 Rb 0.50000000000000 0.24219467454908 0.89591054280098 85.468 > 33 60 Rb 0.00000000000000 0.25780532545092 0.10408945719902 85.468 > 34 61 Rb 0.00000000000000 0.96204212669058 0.13924263689288 85.468 > 27 62 Rb 0.50000000000000 0.53795787330942 0.86075736310712 85.468 > 28 63 Rb 0.00000000000000 0.53795787330942 0.63924263689288 85.468 > 29 64 Rb 0.50000000000000 0.96204212669058 0.36075736310712 85.468 > 30 65 Rb 0.00000000000000 0.75780532545092 0.39591054280098 85.468 > 31 66 Rb 0.50000000000000 0.74219467454908 0.60408945719902 85.468 > 32 67 Rb 0.00000000000000 0.74219467454908 0.89591054280098 85.468 > 33 68 Rb 0.50000000000000 0.75780532545092 0.10408945719902 85.468 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.940552920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.975711690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.346949280000000 Atomic positions (fractional): *1 H 0.25000000000000 0.26038095917233 0.14292982619909 1.008 > 1 2 H 0.75000000000000 0.26038095917233 0.14292982619909 1.008 > 1 3 H 0.00000000000000 0.23961904082767 0.85707017380091 1.008 > 2 4 H 0.50000000000000 0.23961904082767 0.85707017380091 1.008 > 2 5 H 0.25000000000000 0.23961904082767 0.64292982619909 1.008 > 3 6 H 0.75000000000000 0.23961904082767 0.64292982619909 1.008 > 3 7 H 0.00000000000000 0.26038095917233 0.35707017380091 1.008 > 4 8 H 0.50000000000000 0.26038095917233 0.35707017380091 1.008 > 4 *9 H 0.25000000000000 0.47515883671746 0.35410566575217 1.008 > 5 10 H 0.75000000000000 0.47515883671746 0.35410566575217 1.008 > 5 11 H 0.00000000000000 0.02484116328254 0.64589433424783 1.008 > 6 12 H 0.50000000000000 0.02484116328254 0.64589433424783 1.008 > 6 13 H 0.25000000000000 0.02484116328254 0.85410566575217 1.008 > 7 14 H 0.75000000000000 0.02484116328254 0.85410566575217 1.008 > 7 15 H 0.00000000000000 0.47515883671746 0.14589433424783 1.008 > 8 16 H 0.50000000000000 0.47515883671746 0.14589433424783 1.008 > 8 *17 H 0.12500000000000 0.11555094611542 0.25000000000000 1.008 > 9 18 H 0.62500000000000 0.11555094611542 0.25000000000000 1.008 > 9 19 H 0.37500000000000 0.38444905388458 0.75000000000000 1.008 > 10 20 H 0.87500000000000 0.38444905388458 0.75000000000000 1.008 > 10 21 H 0.12500000000000 0.38444905388458 0.75000000000000 1.008 > 11 22 H 0.62500000000000 0.38444905388458 0.75000000000000 1.008 > 11 23 H 0.37500000000000 0.11555094611542 0.25000000000000 1.008 > 12 24 H 0.87500000000000 0.11555094611542 0.25000000000000 1.008 > 12 *25 H 0.39194247508672 0.39996191622463 0.96238945263824 1.008 > 13 26 H 0.89194247508672 0.39996191622463 0.96238945263824 1.008 > 13 27 H 0.14194247508672 0.10003808377537 0.03761054736176 1.008 > 14 28 H 0.64194247508672 0.10003808377537 0.03761054736176 1.008 > 14 29 H 0.39194247508672 0.10003808377537 0.46238945263824 1.008 > 15 30 H 0.89194247508672 0.10003808377537 0.46238945263824 1.008 > 15 31 H 0.14194247508672 0.39996191622463 0.53761054736176 1.008 > 16 32 H 0.64194247508672 0.39996191622463 0.53761054736176 1.008 > 16 33 H 0.10805752491328 0.39996191622463 0.96238945263824 1.008 > 17 34 H 0.60805752491328 0.39996191622463 0.96238945263824 1.008 > 17 35 H 0.35805752491328 0.10003808377537 0.03761054736176 1.008 > 18 36 H 0.85805752491328 0.10003808377537 0.03761054736176 1.008 > 18 37 H 0.35805752491328 0.39996191622463 0.53761054736176 1.008 > 19 38 H 0.85805752491328 0.39996191622463 0.53761054736176 1.008 > 19 39 H 0.10805752491328 0.10003808377537 0.46238945263824 1.008 > 20 40 H 0.60805752491328 0.10003808377537 0.46238945263824 1.008 > 20 41 H 0.00000000000000 0.76038095917233 0.14292982619909 1.008 > 1 42 H 0.50000000000000 0.76038095917233 0.14292982619909 1.008 > 1 43 H 0.25000000000000 0.73961904082767 0.85707017380091 1.008 > 2 44 H 0.75000000000000 0.73961904082767 0.85707017380091 1.008 > 2 45 H 0.00000000000000 0.73961904082767 0.64292982619909 1.008 > 3 46 H 0.50000000000000 0.73961904082767 0.64292982619909 1.008 > 3 47 H 0.25000000000000 0.76038095917233 0.35707017380091 1.008 > 4 48 H 0.75000000000000 0.76038095917233 0.35707017380091 1.008 > 4 49 H 0.00000000000000 0.97515883671746 0.35410566575217 1.008 > 5 50 H 0.50000000000000 0.97515883671746 0.35410566575217 1.008 > 5 51 H 0.25000000000000 0.52484116328254 0.64589433424783 1.008 > 6 52 H 0.75000000000000 0.52484116328254 0.64589433424783 1.008 > 6 53 H 0.00000000000000 0.52484116328254 0.85410566575217 1.008 > 7 54 H 0.50000000000000 0.52484116328254 0.85410566575217 1.008 > 7 55 H 0.25000000000000 0.97515883671746 0.14589433424783 1.008 > 8 56 H 0.75000000000000 0.97515883671746 0.14589433424783 1.008 > 8 57 H 0.37500000000000 0.61555094611542 0.25000000000000 1.008 > 9 58 H 0.87500000000000 0.61555094611542 0.25000000000000 1.008 > 9 59 H 0.12500000000000 0.88444905388458 0.75000000000000 1.008 > 10 60 H 0.62500000000000 0.88444905388458 0.75000000000000 1.008 > 10 61 H 0.37500000000000 0.88444905388458 0.75000000000000 1.008 > 11 62 H 0.87500000000000 0.88444905388458 0.75000000000000 1.008 > 11 63 H 0.12500000000000 0.61555094611542 0.25000000000000 1.008 > 12 64 H 0.62500000000000 0.61555094611542 0.25000000000000 1.008 > 12 65 H 0.14194247508672 0.89996191622463 0.96238945263824 1.008 > 13 66 H 0.64194247508672 0.89996191622463 0.96238945263824 1.008 > 13 67 H 0.39194247508672 0.60003808377537 0.03761054736176 1.008 > 14 68 H 0.89194247508672 0.60003808377537 0.03761054736176 1.008 > 14 69 H 0.14194247508672 0.60003808377537 0.46238945263824 1.008 > 15 70 H 0.64194247508672 0.60003808377537 0.46238945263824 1.008 > 15 71 H 0.39194247508672 0.89996191622463 0.53761054736176 1.008 > 16 72 H 0.89194247508672 0.89996191622463 0.53761054736176 1.008 > 16 73 H 0.35805752491328 0.89996191622463 0.96238945263824 1.008 > 17 74 H 0.85805752491328 0.89996191622463 0.96238945263824 1.008 > 17 75 H 0.10805752491328 0.60003808377537 0.03761054736176 1.008 > 18 76 H 0.60805752491328 0.60003808377537 0.03761054736176 1.008 > 18 77 H 0.10805752491328 0.89996191622463 0.53761054736176 1.008 > 19 78 H 0.60805752491328 0.89996191622463 0.53761054736176 1.008 > 19 79 H 0.35805752491328 0.60003808377537 0.46238945263824 1.008 > 20 80 H 0.85805752491328 0.60003808377537 0.46238945263824 1.008 > 20 *81 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 21 82 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 21 83 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 22 84 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 22 *85 Mg 0.25000000000000 0.12570114840082 0.15545829822502 24.305 > 23 86 Mg 0.75000000000000 0.12570114840082 0.15545829822502 24.305 > 23 87 Mg 0.00000000000000 0.37429885159918 0.84454170177498 24.305 > 24 88 Mg 0.50000000000000 0.37429885159918 0.84454170177498 24.305 > 24 89 Mg 0.25000000000000 0.37429885159918 0.65545829822502 24.305 > 25 90 Mg 0.75000000000000 0.37429885159918 0.65545829822502 24.305 > 25 91 Mg 0.00000000000000 0.12570114840082 0.34454170177498 24.305 > 26 92 Mg 0.50000000000000 0.12570114840082 0.34454170177498 24.305 > 26 93 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 21 94 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 21 95 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 22 96 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 22 97 Mg 0.00000000000000 0.62570114840082 0.15545829822502 24.305 > 23 98 Mg 0.50000000000000 0.62570114840082 0.15545829822502 24.305 > 23 99 Mg 0.25000000000000 0.87429885159918 0.84454170177498 24.305 > 24 100 Mg 0.75000000000000 0.87429885159918 0.84454170177498 24.305 > 24 101 Mg 0.00000000000000 0.87429885159918 0.65545829822502 24.305 > 25 102 Mg 0.50000000000000 0.87429885159918 0.65545829822502 24.305 > 25 103 Mg 0.25000000000000 0.62570114840082 0.34454170177498 24.305 > 26 104 Mg 0.75000000000000 0.62570114840082 0.34454170177498 24.305 > 26 *105 Rb 0.25000000000000 0.46204212669058 0.13924263689288 85.468 > 27 106 Rb 0.75000000000000 0.46204212669058 0.13924263689288 85.468 > 27 107 Rb 0.00000000000000 0.03795787330942 0.86075736310712 85.468 > 28 108 Rb 0.50000000000000 0.03795787330942 0.86075736310712 85.468 > 28 109 Rb 0.25000000000000 0.03795787330942 0.63924263689288 85.468 > 29 110 Rb 0.75000000000000 0.03795787330942 0.63924263689288 85.468 > 29 111 Rb 0.00000000000000 0.46204212669058 0.36075736310712 85.468 > 30 112 Rb 0.50000000000000 0.46204212669058 0.36075736310712 85.468 > 30 *113 Rb 0.25000000000000 0.25780532545092 0.39591054280098 85.468 > 31 114 Rb 0.75000000000000 0.25780532545092 0.39591054280098 85.468 > 31 115 Rb 0.00000000000000 0.24219467454908 0.60408945719902 85.468 > 32 116 Rb 0.50000000000000 0.24219467454908 0.60408945719902 85.468 > 32 117 Rb 0.25000000000000 0.24219467454908 0.89591054280098 85.468 > 33 118 Rb 0.75000000000000 0.24219467454908 0.89591054280098 85.468 > 33 119 Rb 0.00000000000000 0.25780532545092 0.10408945719902 85.468 > 34 120 Rb 0.50000000000000 0.25780532545092 0.10408945719902 85.468 > 34 121 Rb 0.00000000000000 0.96204212669058 0.13924263689288 85.468 > 27 122 Rb 0.50000000000000 0.96204212669058 0.13924263689288 85.468 > 27 123 Rb 0.25000000000000 0.53795787330942 0.86075736310712 85.468 > 28 124 Rb 0.75000000000000 0.53795787330942 0.86075736310712 85.468 > 28 125 Rb 0.00000000000000 0.53795787330942 0.63924263689288 85.468 > 29 126 Rb 0.50000000000000 0.53795787330942 0.63924263689288 85.468 > 29 127 Rb 0.25000000000000 0.96204212669058 0.36075736310712 85.468 > 30 128 Rb 0.75000000000000 0.96204212669058 0.36075736310712 85.468 > 30 129 Rb 0.00000000000000 0.75780532545092 0.39591054280098 85.468 > 31 130 Rb 0.50000000000000 0.75780532545092 0.39591054280098 85.468 > 31 131 Rb 0.25000000000000 0.74219467454908 0.60408945719902 85.468 > 32 132 Rb 0.75000000000000 0.74219467454908 0.60408945719902 85.468 > 32 133 Rb 0.00000000000000 0.74219467454908 0.89591054280098 85.468 > 33 134 Rb 0.50000000000000 0.74219467454908 0.89591054280098 85.468 > 33 135 Rb 0.25000000000000 0.75780532545092 0.10408945719902 85.468 > 34 136 Rb 0.75000000000000 0.75780532545092 0.10408945719902 85.468 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3261363 0.0000000 0.0000000 0.0000000 3.2922211 0.0000000 0.0000000 0.0000000 3.4068469 -------------------------- Born effective charges -------------------------- 1 H -0.8674401 0.0000000 0.0000000 0.0000000 -1.0544780 0.0167889 0.0000000 0.0435631 -0.8782822 2 H -0.8674401 0.0000000 0.0000000 0.0000000 -1.0544780 0.0167889 0.0000000 0.0435631 -0.8782822 3 H -0.8674401 0.0000000 0.0000000 0.0000000 -1.0544780 -0.0167889 0.0000000 -0.0435631 -0.8782822 4 H -0.8674401 0.0000000 0.0000000 0.0000000 -1.0544780 -0.0167889 0.0000000 -0.0435631 -0.8782822 5 H -0.7613317 0.0000000 0.0000000 0.0000000 -0.9372629 -0.0090089 0.0000000 0.0721518 -0.9790927 6 H -0.7613317 0.0000000 0.0000000 0.0000000 -0.9372629 -0.0090089 0.0000000 0.0721518 -0.9790927 7 H -0.7613317 0.0000000 0.0000000 0.0000000 -0.9372629 0.0090089 0.0000000 -0.0721518 -0.9790927 8 H -0.7613317 0.0000000 0.0000000 0.0000000 -0.9372629 0.0090089 0.0000000 -0.0721518 -0.9790927 9 H -1.0837747 0.0000000 0.2515910 0.0000000 -0.7000482 0.0000000 0.2527499 0.0000000 -1.0068739 10 H -1.0837747 0.0000000 -0.2515910 0.0000000 -0.7000482 0.0000000 -0.2527499 0.0000000 -1.0068739 11 H -1.0837747 0.0000000 0.2515910 0.0000000 -0.7000482 0.0000000 0.2527499 0.0000000 -1.0068739 12 H -1.0837747 0.0000000 -0.2515910 0.0000000 -0.7000482 0.0000000 -0.2527499 0.0000000 -1.0068739 13 H -0.8964626 -0.0627367 0.0413468 -0.0557992 -0.8521175 -0.0808956 0.0660174 -0.1169087 -0.9123467 14 H -0.8964626 0.0627367 -0.0413468 0.0557992 -0.8521175 -0.0808956 -0.0660174 -0.1169087 -0.9123467 15 H -0.8964626 0.0627367 0.0413468 0.0557992 -0.8521175 0.0808956 0.0660174 0.1169087 -0.9123467 16 H -0.8964626 -0.0627367 -0.0413468 -0.0557992 -0.8521175 0.0808956 -0.0660174 0.1169087 -0.9123467 17 H -0.8964626 0.0627367 -0.0413468 0.0557992 -0.8521175 -0.0808956 -0.0660174 -0.1169087 -0.9123467 18 H -0.8964626 -0.0627367 0.0413468 -0.0557992 -0.8521175 -0.0808956 0.0660174 -0.1169087 -0.9123467 19 H -0.8964626 0.0627367 0.0413468 0.0557992 -0.8521175 0.0808956 0.0660174 0.1169087 -0.9123467 20 H -0.8964626 -0.0627367 -0.0413468 -0.0557992 -0.8521175 0.0808956 -0.0660174 0.1169087 -0.9123467 21 Mg 1.3022456 0.0000000 0.0000000 0.0000000 1.4190966 0.2459890 0.0000000 0.2783796 1.6014458 22 Mg 1.3022456 0.0000000 0.0000000 0.0000000 1.4190966 -0.2459890 0.0000000 -0.2783796 1.6014458 23 Mg 1.6529666 0.0000000 0.0000000 0.0000000 1.5241600 0.1221842 0.0000000 0.1451787 1.7586309 24 Mg 1.6529666 0.0000000 0.0000000 0.0000000 1.5241600 0.1221842 0.0000000 0.1451787 1.7586309 25 Mg 1.6529666 0.0000000 0.0000000 0.0000000 1.5241600 -0.1221842 0.0000000 -0.1451787 1.7586309 26 Mg 1.6529666 0.0000000 0.0000000 0.0000000 1.5241600 -0.1221842 0.0000000 -0.1451787 1.7586309 27 Rb 1.1283978 0.0000000 0.0000000 0.0000000 0.9860259 0.0631659 0.0000000 0.0753268 1.0294612 28 Rb 1.1283978 0.0000000 0.0000000 0.0000000 0.9860259 0.0631659 0.0000000 0.0753268 1.0294612 29 Rb 1.1283978 0.0000000 0.0000000 0.0000000 0.9860259 -0.0631659 0.0000000 -0.0753268 1.0294612 30 Rb 1.1283978 0.0000000 0.0000000 0.0000000 0.9860259 -0.0631659 0.0000000 -0.0753268 1.0294612 31 Rb 1.0729846 0.0000000 0.0000000 0.0000000 1.1762899 0.1776224 0.0000000 0.1544856 1.1001272 32 Rb 1.0729846 0.0000000 0.0000000 0.0000000 1.1762899 0.1776224 0.0000000 0.1544856 1.1001272 33 Rb 1.0729846 0.0000000 0.0000000 0.0000000 1.1762899 -0.1776224 0.0000000 -0.1544856 1.1001272 34 Rb 1.0729846 0.0000000 0.0000000 0.0000000 1.1762899 -0.1776224 0.0000000 -0.1544856 1.1001272 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 25410/25410 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2822 Number of blocks in projector: 2822 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 698 Use submatrix version of eigh solver. (1) Block: 500 / 698 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 698 / 698 (1) 185 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 460 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 452 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 404 Use standard eigh solver. Tree of FC basis block matrices: - (2822, 2778), data: False |-- (404, 396), data: True |-- (404, 396), data: True |-- (404, 396), data: True |-- (452, 450), data: True |-- (460, 456), data: True |-- (698, 684), data: False |-- (698, 13), data: (698, 27) @ (27, 13) |-- (198, 185), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.598 Solver_block: 200 / 560 - Time: 1.110 Solver_block: 300 / 560 - Time: 0.901 Solver_block: 400 / 560 - Time: 0.874 Solver_block: 500 / 560 - Time: 0.911 Solver_block: 560 / 560 - Time: 0.674 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.428 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 25410/25410 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2822 Number of blocks in projector: 2822 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 698 Use submatrix version of eigh solver. (1) Block: 500 / 698 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 698 / 698 (1) 185 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 460 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 452 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 404 Use standard eigh solver. Tree of FC basis block matrices: - (2822, 2778), data: False |-- (404, 396), data: True |-- (404, 396), data: True |-- (404, 396), data: True |-- (452, 450), data: True |-- (460, 456), data: True |-- (698, 684), data: False |-- (698, 13), data: (698, 27) @ (27, 13) |-- (198, 185), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:53:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:53:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.985138230000000 -6.987855845000000 0.000000000000000 b 2.985138230000000 6.987855845000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.346949280000000 Atomic positions (fractional): 1 H 0.23961904082767 0.76038095917233 0.14292982619909 1.008 2 H 0.76038095917233 0.23961904082767 0.85707017380091 1.008 3 H 0.26038095917233 0.73961904082767 0.64292982619909 1.008 4 H 0.73961904082767 0.26038095917233 0.35707017380091 1.008 5 H 0.02484116328254 0.97515883671746 0.35410566575217 1.008 6 H 0.97515883671746 0.02484116328254 0.64589433424783 1.008 7 H 0.47515883671746 0.52484116328254 0.85410566575217 1.008 8 H 0.52484116328254 0.47515883671746 0.14589433424783 1.008 9 H 0.13444905388458 0.36555094611542 0.25000000000000 1.008 10 H 0.36555094611542 0.13444905388458 0.75000000000000 1.008 11 H 0.86555094611542 0.63444905388458 0.75000000000000 1.008 12 H 0.63444905388458 0.86555094611542 0.25000000000000 1.008 13 H 0.38392303394881 0.18384686639807 0.96238945263824 1.008 14 H 0.18384686639807 0.38392303394881 0.03761054736176 1.008 15 H 0.68384686639807 0.88392303394881 0.46238945263824 1.008 16 H 0.88392303394881 0.68384686639807 0.53761054736176 1.008 17 H 0.81615313360193 0.61607696605119 0.96238945263824 1.008 18 H 0.61607696605119 0.81615313360193 0.03761054736176 1.008 19 H 0.31615313360193 0.11607696605119 0.53761054736176 1.008 20 H 0.11607696605119 0.31615313360193 0.46238945263824 1.008 21 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 22 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 23 Mg 0.37429885159918 0.62570114840082 0.15545829822502 24.305 24 Mg 0.62570114840082 0.37429885159918 0.84454170177498 24.305 25 Mg 0.12570114840082 0.87429885159918 0.65545829822502 24.305 26 Mg 0.87429885159918 0.12570114840082 0.34454170177498 24.305 27 Rb 0.03795787330942 0.96204212669058 0.13924263689288 85.468 28 Rb 0.96204212669058 0.03795787330942 0.86075736310712 85.468 29 Rb 0.46204212669058 0.53795787330942 0.63924263689288 85.468 30 Rb 0.53795787330942 0.46204212669058 0.36075736310712 85.468 31 Rb 0.24219467454908 0.75780532545092 0.39591054280098 85.468 32 Rb 0.75780532545092 0.24219467454908 0.60408945719902 85.468 33 Rb 0.25780532545092 0.74219467454908 0.89591054280098 85.468 34 Rb 0.74219467454908 0.25780532545092 0.10408945719902 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.940552920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.975711690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.346949280000000 Atomic positions (fractional): 1 H 0.25000000000000 0.26038095917233 0.14292982619909 1.008 > 1 2 H 0.75000000000000 0.26038095917233 0.14292982619909 1.008 > 1 3 H 0.00000000000000 0.23961904082767 0.85707017380091 1.008 > 3 4 H 0.50000000000000 0.23961904082767 0.85707017380091 1.008 > 3 5 H 0.25000000000000 0.23961904082767 0.64292982619909 1.008 > 5 6 H 0.75000000000000 0.23961904082767 0.64292982619909 1.008 > 5 7 H 0.00000000000000 0.26038095917233 0.35707017380091 1.008 > 7 8 H 0.50000000000000 0.26038095917233 0.35707017380091 1.008 > 7 9 H 0.25000000000000 0.47515883671746 0.35410566575217 1.008 > 9 10 H 0.75000000000000 0.47515883671746 0.35410566575217 1.008 > 9 11 H 0.00000000000000 0.02484116328254 0.64589433424783 1.008 > 11 12 H 0.50000000000000 0.02484116328254 0.64589433424783 1.008 > 11 13 H 0.25000000000000 0.02484116328254 0.85410566575217 1.008 > 13 14 H 0.75000000000000 0.02484116328254 0.85410566575217 1.008 > 13 15 H 0.00000000000000 0.47515883671746 0.14589433424783 1.008 > 15 16 H 0.50000000000000 0.47515883671746 0.14589433424783 1.008 > 15 17 H 0.12500000000000 0.11555094611542 0.25000000000000 1.008 > 17 18 H 0.62500000000000 0.11555094611542 0.25000000000000 1.008 > 17 19 H 0.37500000000000 0.38444905388458 0.75000000000000 1.008 > 19 20 H 0.87500000000000 0.38444905388458 0.75000000000000 1.008 > 19 21 H 0.12500000000000 0.38444905388458 0.75000000000000 1.008 > 21 22 H 0.62500000000000 0.38444905388458 0.75000000000000 1.008 > 21 23 H 0.37500000000000 0.11555094611542 0.25000000000000 1.008 > 23 24 H 0.87500000000000 0.11555094611542 0.25000000000000 1.008 > 23 25 H 0.39194247508672 0.39996191622463 0.96238945263824 1.008 > 25 26 H 0.89194247508672 0.39996191622463 0.96238945263824 1.008 > 25 27 H 0.14194247508672 0.10003808377537 0.03761054736176 1.008 > 27 28 H 0.64194247508672 0.10003808377537 0.03761054736176 1.008 > 27 29 H 0.39194247508672 0.10003808377537 0.46238945263824 1.008 > 29 30 H 0.89194247508672 0.10003808377537 0.46238945263824 1.008 > 29 31 H 0.14194247508672 0.39996191622463 0.53761054736176 1.008 > 31 32 H 0.64194247508672 0.39996191622463 0.53761054736176 1.008 > 31 33 H 0.10805752491328 0.39996191622463 0.96238945263824 1.008 > 33 34 H 0.60805752491328 0.39996191622463 0.96238945263824 1.008 > 33 35 H 0.35805752491328 0.10003808377537 0.03761054736176 1.008 > 35 36 H 0.85805752491328 0.10003808377537 0.03761054736176 1.008 > 35 37 H 0.35805752491328 0.39996191622463 0.53761054736176 1.008 > 37 38 H 0.85805752491328 0.39996191622463 0.53761054736176 1.008 > 37 39 H 0.10805752491328 0.10003808377537 0.46238945263824 1.008 > 39 40 H 0.60805752491328 0.10003808377537 0.46238945263824 1.008 > 39 41 H 0.00000000000000 0.76038095917233 0.14292982619909 1.008 > 1 42 H 0.50000000000000 0.76038095917233 0.14292982619909 1.008 > 1 43 H 0.25000000000000 0.73961904082767 0.85707017380091 1.008 > 3 44 H 0.75000000000000 0.73961904082767 0.85707017380091 1.008 > 3 45 H 0.00000000000000 0.73961904082767 0.64292982619909 1.008 > 5 46 H 0.50000000000000 0.73961904082767 0.64292982619909 1.008 > 5 47 H 0.25000000000000 0.76038095917233 0.35707017380091 1.008 > 7 48 H 0.75000000000000 0.76038095917233 0.35707017380091 1.008 > 7 49 H 0.00000000000000 0.97515883671746 0.35410566575217 1.008 > 9 50 H 0.50000000000000 0.97515883671746 0.35410566575217 1.008 > 9 51 H 0.25000000000000 0.52484116328254 0.64589433424783 1.008 > 11 52 H 0.75000000000000 0.52484116328254 0.64589433424783 1.008 > 11 53 H 0.00000000000000 0.52484116328254 0.85410566575217 1.008 > 13 54 H 0.50000000000000 0.52484116328254 0.85410566575217 1.008 > 13 55 H 0.25000000000000 0.97515883671746 0.14589433424783 1.008 > 15 56 H 0.75000000000000 0.97515883671746 0.14589433424783 1.008 > 15 57 H 0.37500000000000 0.61555094611542 0.25000000000000 1.008 > 17 58 H 0.87500000000000 0.61555094611542 0.25000000000000 1.008 > 17 59 H 0.12500000000000 0.88444905388458 0.75000000000000 1.008 > 19 60 H 0.62500000000000 0.88444905388458 0.75000000000000 1.008 > 19 61 H 0.37500000000000 0.88444905388458 0.75000000000000 1.008 > 21 62 H 0.87500000000000 0.88444905388458 0.75000000000000 1.008 > 21 63 H 0.12500000000000 0.61555094611542 0.25000000000000 1.008 > 23 64 H 0.62500000000000 0.61555094611542 0.25000000000000 1.008 > 23 65 H 0.14194247508672 0.89996191622463 0.96238945263824 1.008 > 25 66 H 0.64194247508672 0.89996191622463 0.96238945263824 1.008 > 25 67 H 0.39194247508672 0.60003808377537 0.03761054736176 1.008 > 27 68 H 0.89194247508672 0.60003808377537 0.03761054736176 1.008 > 27 69 H 0.14194247508672 0.60003808377537 0.46238945263824 1.008 > 29 70 H 0.64194247508672 0.60003808377537 0.46238945263824 1.008 > 29 71 H 0.39194247508672 0.89996191622463 0.53761054736176 1.008 > 31 72 H 0.89194247508672 0.89996191622463 0.53761054736176 1.008 > 31 73 H 0.35805752491328 0.89996191622463 0.96238945263824 1.008 > 33 74 H 0.85805752491328 0.89996191622463 0.96238945263824 1.008 > 33 75 H 0.10805752491328 0.60003808377537 0.03761054736176 1.008 > 35 76 H 0.60805752491328 0.60003808377537 0.03761054736176 1.008 > 35 77 H 0.10805752491328 0.89996191622463 0.53761054736176 1.008 > 37 78 H 0.60805752491328 0.89996191622463 0.53761054736176 1.008 > 37 79 H 0.35805752491328 0.60003808377537 0.46238945263824 1.008 > 39 80 H 0.85805752491328 0.60003808377537 0.46238945263824 1.008 > 39 81 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 81 82 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 81 83 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 83 84 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 83 85 Mg 0.25000000000000 0.12570114840082 0.15545829822502 24.305 > 85 86 Mg 0.75000000000000 0.12570114840082 0.15545829822502 24.305 > 85 87 Mg 0.00000000000000 0.37429885159918 0.84454170177498 24.305 > 87 88 Mg 0.50000000000000 0.37429885159918 0.84454170177498 24.305 > 87 89 Mg 0.25000000000000 0.37429885159918 0.65545829822502 24.305 > 89 90 Mg 0.75000000000000 0.37429885159918 0.65545829822502 24.305 > 89 91 Mg 0.00000000000000 0.12570114840082 0.34454170177498 24.305 > 91 92 Mg 0.50000000000000 0.12570114840082 0.34454170177498 24.305 > 91 93 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 81 94 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 81 95 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 83 96 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 83 97 Mg 0.00000000000000 0.62570114840082 0.15545829822502 24.305 > 85 98 Mg 0.50000000000000 0.62570114840082 0.15545829822502 24.305 > 85 99 Mg 0.25000000000000 0.87429885159918 0.84454170177498 24.305 > 87 100 Mg 0.75000000000000 0.87429885159918 0.84454170177498 24.305 > 87 101 Mg 0.00000000000000 0.87429885159918 0.65545829822502 24.305 > 89 102 Mg 0.50000000000000 0.87429885159918 0.65545829822502 24.305 > 89 103 Mg 0.25000000000000 0.62570114840082 0.34454170177498 24.305 > 91 104 Mg 0.75000000000000 0.62570114840082 0.34454170177498 24.305 > 91 105 Rb 0.25000000000000 0.46204212669058 0.13924263689288 85.468 > 105 106 Rb 0.75000000000000 0.46204212669058 0.13924263689288 85.468 > 105 107 Rb 0.00000000000000 0.03795787330942 0.86075736310712 85.468 > 107 108 Rb 0.50000000000000 0.03795787330942 0.86075736310712 85.468 > 107 109 Rb 0.25000000000000 0.03795787330942 0.63924263689288 85.468 > 109 110 Rb 0.75000000000000 0.03795787330942 0.63924263689288 85.468 > 109 111 Rb 0.00000000000000 0.46204212669058 0.36075736310712 85.468 > 111 112 Rb 0.50000000000000 0.46204212669058 0.36075736310712 85.468 > 111 113 Rb 0.25000000000000 0.25780532545092 0.39591054280098 85.468 > 113 114 Rb 0.75000000000000 0.25780532545092 0.39591054280098 85.468 > 113 115 Rb 0.00000000000000 0.24219467454908 0.60408945719902 85.468 > 115 116 Rb 0.50000000000000 0.24219467454908 0.60408945719902 85.468 > 115 117 Rb 0.25000000000000 0.24219467454908 0.89591054280098 85.468 > 117 118 Rb 0.75000000000000 0.24219467454908 0.89591054280098 85.468 > 117 119 Rb 0.00000000000000 0.25780532545092 0.10408945719902 85.468 > 119 120 Rb 0.50000000000000 0.25780532545092 0.10408945719902 85.468 > 119 121 Rb 0.00000000000000 0.96204212669058 0.13924263689288 85.468 > 105 122 Rb 0.50000000000000 0.96204212669058 0.13924263689288 85.468 > 105 123 Rb 0.25000000000000 0.53795787330942 0.86075736310712 85.468 > 107 124 Rb 0.75000000000000 0.53795787330942 0.86075736310712 85.468 > 107 125 Rb 0.00000000000000 0.53795787330942 0.63924263689288 85.468 > 109 126 Rb 0.50000000000000 0.53795787330942 0.63924263689288 85.468 > 109 127 Rb 0.25000000000000 0.96204212669058 0.36075736310712 85.468 > 111 128 Rb 0.75000000000000 0.96204212669058 0.36075736310712 85.468 > 111 129 Rb 0.00000000000000 0.75780532545092 0.39591054280098 85.468 > 113 130 Rb 0.50000000000000 0.75780532545092 0.39591054280098 85.468 > 113 131 Rb 0.25000000000000 0.74219467454908 0.60408945719902 85.468 > 115 132 Rb 0.75000000000000 0.74219467454908 0.60408945719902 85.468 > 115 133 Rb 0.00000000000000 0.74219467454908 0.89591054280098 85.468 > 117 134 Rb 0.50000000000000 0.74219467454908 0.89591054280098 85.468 > 117 135 Rb 0.25000000000000 0.75780532545092 0.10408945719902 85.468 > 119 136 Rb 0.75000000000000 0.75780532545092 0.10408945719902 85.468 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3261363 0.0000000 0.0000000 0.0000000 3.2922211 0.0000000 0.0000000 0.0000000 3.4068469 -------------------------- Born effective charges -------------------------- 1 H -0.8674401 0.0000000 0.0000000 0.0000000 -1.0544780 0.0167889 0.0000000 0.0435631 -0.8782822 2 H -0.8674401 0.0000000 0.0000000 0.0000000 -1.0544780 0.0167889 0.0000000 0.0435631 -0.8782822 3 H -0.8674401 0.0000000 0.0000000 0.0000000 -1.0544780 -0.0167889 0.0000000 -0.0435631 -0.8782822 4 H -0.8674401 0.0000000 0.0000000 0.0000000 -1.0544780 -0.0167889 0.0000000 -0.0435631 -0.8782822 5 H -0.7613317 0.0000000 0.0000000 0.0000000 -0.9372629 -0.0090089 0.0000000 0.0721518 -0.9790927 6 H -0.7613317 0.0000000 0.0000000 0.0000000 -0.9372629 -0.0090089 0.0000000 0.0721518 -0.9790927 7 H -0.7613317 0.0000000 0.0000000 0.0000000 -0.9372629 0.0090089 0.0000000 -0.0721518 -0.9790927 8 H -0.7613317 0.0000000 0.0000000 0.0000000 -0.9372629 0.0090089 0.0000000 -0.0721518 -0.9790927 9 H -1.0837747 0.0000000 0.2515910 0.0000000 -0.7000482 0.0000000 0.2527499 0.0000000 -1.0068739 10 H -1.0837747 0.0000000 -0.2515910 0.0000000 -0.7000482 0.0000000 -0.2527499 0.0000000 -1.0068739 11 H -1.0837747 0.0000000 0.2515910 0.0000000 -0.7000482 0.0000000 0.2527499 0.0000000 -1.0068739 12 H -1.0837747 0.0000000 -0.2515910 0.0000000 -0.7000482 0.0000000 -0.2527499 0.0000000 -1.0068739 13 H -0.8964626 -0.0627367 0.0413468 -0.0557992 -0.8521175 -0.0808956 0.0660174 -0.1169087 -0.9123467 14 H -0.8964626 0.0627367 -0.0413468 0.0557992 -0.8521175 -0.0808956 -0.0660174 -0.1169087 -0.9123467 15 H -0.8964626 0.0627367 0.0413468 0.0557992 -0.8521175 0.0808956 0.0660174 0.1169087 -0.9123467 16 H -0.8964626 -0.0627367 -0.0413468 -0.0557992 -0.8521175 0.0808956 -0.0660174 0.1169087 -0.9123467 17 H -0.8964626 0.0627367 -0.0413468 0.0557992 -0.8521175 -0.0808956 -0.0660174 -0.1169087 -0.9123467 18 H -0.8964626 -0.0627367 0.0413468 -0.0557992 -0.8521175 -0.0808956 0.0660174 -0.1169087 -0.9123467 19 H -0.8964626 0.0627367 0.0413468 0.0557992 -0.8521175 0.0808956 0.0660174 0.1169087 -0.9123467 20 H -0.8964626 -0.0627367 -0.0413468 -0.0557992 -0.8521175 0.0808956 -0.0660174 0.1169087 -0.9123467 21 Mg 1.3022456 0.0000000 0.0000000 0.0000000 1.4190966 0.2459890 0.0000000 0.2783796 1.6014458 22 Mg 1.3022456 0.0000000 0.0000000 0.0000000 1.4190966 -0.2459890 0.0000000 -0.2783796 1.6014458 23 Mg 1.6529666 0.0000000 0.0000000 0.0000000 1.5241600 0.1221842 0.0000000 0.1451787 1.7586309 24 Mg 1.6529666 0.0000000 0.0000000 0.0000000 1.5241600 0.1221842 0.0000000 0.1451787 1.7586309 25 Mg 1.6529666 0.0000000 0.0000000 0.0000000 1.5241600 -0.1221842 0.0000000 -0.1451787 1.7586309 26 Mg 1.6529666 0.0000000 0.0000000 0.0000000 1.5241600 -0.1221842 0.0000000 -0.1451787 1.7586309 27 Rb 1.1283978 0.0000000 0.0000000 0.0000000 0.9860259 0.0631659 0.0000000 0.0753268 1.0294612 28 Rb 1.1283978 0.0000000 0.0000000 0.0000000 0.9860259 0.0631659 0.0000000 0.0753268 1.0294612 29 Rb 1.1283978 0.0000000 0.0000000 0.0000000 0.9860259 -0.0631659 0.0000000 -0.0753268 1.0294612 30 Rb 1.1283978 0.0000000 0.0000000 0.0000000 0.9860259 -0.0631659 0.0000000 -0.0753268 1.0294612 31 Rb 1.0729846 0.0000000 0.0000000 0.0000000 1.1762899 0.1776224 0.0000000 0.1544856 1.1001272 32 Rb 1.0729846 0.0000000 0.0000000 0.0000000 1.1762899 0.1776224 0.0000000 0.1544856 1.1001272 33 Rb 1.0729846 0.0000000 0.0000000 0.0000000 1.1762899 -0.1776224 0.0000000 -0.1544856 1.1001272 34 Rb 1.0729846 0.0000000 0.0000000 0.0000000 1.1762899 -0.1776224 0.0000000 -0.1544856 1.1001272 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, 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[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:54:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:54:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.985138230000000 -6.987855845000000 0.000000000000000 b 2.985138230000000 6.987855845000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.346949280000000 Atomic positions (fractional): 1 H 0.23961904082767 0.76038095917233 0.14292982619909 1.008 2 H 0.76038095917233 0.23961904082767 0.85707017380091 1.008 3 H 0.26038095917233 0.73961904082767 0.64292982619909 1.008 4 H 0.73961904082767 0.26038095917233 0.35707017380091 1.008 5 H 0.02484116328254 0.97515883671746 0.35410566575217 1.008 6 H 0.97515883671746 0.02484116328254 0.64589433424783 1.008 7 H 0.47515883671746 0.52484116328254 0.85410566575217 1.008 8 H 0.52484116328254 0.47515883671746 0.14589433424783 1.008 9 H 0.13444905388458 0.36555094611542 0.25000000000000 1.008 10 H 0.36555094611542 0.13444905388458 0.75000000000000 1.008 11 H 0.86555094611542 0.63444905388458 0.75000000000000 1.008 12 H 0.63444905388458 0.86555094611542 0.25000000000000 1.008 13 H 0.38392303394881 0.18384686639807 0.96238945263824 1.008 14 H 0.18384686639807 0.38392303394881 0.03761054736176 1.008 15 H 0.68384686639807 0.88392303394881 0.46238945263824 1.008 16 H 0.88392303394881 0.68384686639807 0.53761054736176 1.008 17 H 0.81615313360193 0.61607696605119 0.96238945263824 1.008 18 H 0.61607696605119 0.81615313360193 0.03761054736176 1.008 19 H 0.31615313360193 0.11607696605119 0.53761054736176 1.008 20 H 0.11607696605119 0.31615313360193 0.46238945263824 1.008 21 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 22 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 23 Mg 0.37429885159918 0.62570114840082 0.15545829822502 24.305 24 Mg 0.62570114840082 0.37429885159918 0.84454170177498 24.305 25 Mg 0.12570114840082 0.87429885159918 0.65545829822502 24.305 26 Mg 0.87429885159918 0.12570114840082 0.34454170177498 24.305 27 Rb 0.03795787330942 0.96204212669058 0.13924263689288 85.468 28 Rb 0.96204212669058 0.03795787330942 0.86075736310712 85.468 29 Rb 0.46204212669058 0.53795787330942 0.63924263689288 85.468 30 Rb 0.53795787330942 0.46204212669058 0.36075736310712 85.468 31 Rb 0.24219467454908 0.75780532545092 0.39591054280098 85.468 32 Rb 0.75780532545092 0.24219467454908 0.60408945719902 85.468 33 Rb 0.25780532545092 0.74219467454908 0.89591054280098 85.468 34 Rb 0.74219467454908 0.25780532545092 0.10408945719902 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.940552920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.975711690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.346949280000000 Atomic positions (fractional): 1 H 0.25000000000000 0.26038095917233 0.14292982619909 1.008 > 1 2 H 0.75000000000000 0.26038095917233 0.14292982619909 1.008 > 1 3 H 0.00000000000000 0.23961904082767 0.85707017380091 1.008 > 3 4 H 0.50000000000000 0.23961904082767 0.85707017380091 1.008 > 3 5 H 0.25000000000000 0.23961904082767 0.64292982619909 1.008 > 5 6 H 0.75000000000000 0.23961904082767 0.64292982619909 1.008 > 5 7 H 0.00000000000000 0.26038095917233 0.35707017380091 1.008 > 7 8 H 0.50000000000000 0.26038095917233 0.35707017380091 1.008 > 7 9 H 0.25000000000000 0.47515883671746 0.35410566575217 1.008 > 9 10 H 0.75000000000000 0.47515883671746 0.35410566575217 1.008 > 9 11 H 0.00000000000000 0.02484116328254 0.64589433424783 1.008 > 11 12 H 0.50000000000000 0.02484116328254 0.64589433424783 1.008 > 11 13 H 0.25000000000000 0.02484116328254 0.85410566575217 1.008 > 13 14 H 0.75000000000000 0.02484116328254 0.85410566575217 1.008 > 13 15 H 0.00000000000000 0.47515883671746 0.14589433424783 1.008 > 15 16 H 0.50000000000000 0.47515883671746 0.14589433424783 1.008 > 15 17 H 0.12500000000000 0.11555094611542 0.25000000000000 1.008 > 17 18 H 0.62500000000000 0.11555094611542 0.25000000000000 1.008 > 17 19 H 0.37500000000000 0.38444905388458 0.75000000000000 1.008 > 19 20 H 0.87500000000000 0.38444905388458 0.75000000000000 1.008 > 19 21 H 0.12500000000000 0.38444905388458 0.75000000000000 1.008 > 21 22 H 0.62500000000000 0.38444905388458 0.75000000000000 1.008 > 21 23 H 0.37500000000000 0.11555094611542 0.25000000000000 1.008 > 23 24 H 0.87500000000000 0.11555094611542 0.25000000000000 1.008 > 23 25 H 0.39194247508672 0.39996191622463 0.96238945263824 1.008 > 25 26 H 0.89194247508672 0.39996191622463 0.96238945263824 1.008 > 25 27 H 0.14194247508672 0.10003808377537 0.03761054736176 1.008 > 27 28 H 0.64194247508672 0.10003808377537 0.03761054736176 1.008 > 27 29 H 0.39194247508672 0.10003808377537 0.46238945263824 1.008 > 29 30 H 0.89194247508672 0.10003808377537 0.46238945263824 1.008 > 29 31 H 0.14194247508672 0.39996191622463 0.53761054736176 1.008 > 31 32 H 0.64194247508672 0.39996191622463 0.53761054736176 1.008 > 31 33 H 0.10805752491328 0.39996191622463 0.96238945263824 1.008 > 33 34 H 0.60805752491328 0.39996191622463 0.96238945263824 1.008 > 33 35 H 0.35805752491328 0.10003808377537 0.03761054736176 1.008 > 35 36 H 0.85805752491328 0.10003808377537 0.03761054736176 1.008 > 35 37 H 0.35805752491328 0.39996191622463 0.53761054736176 1.008 > 37 38 H 0.85805752491328 0.39996191622463 0.53761054736176 1.008 > 37 39 H 0.10805752491328 0.10003808377537 0.46238945263824 1.008 > 39 40 H 0.60805752491328 0.10003808377537 0.46238945263824 1.008 > 39 41 H 0.00000000000000 0.76038095917233 0.14292982619909 1.008 > 1 42 H 0.50000000000000 0.76038095917233 0.14292982619909 1.008 > 1 43 H 0.25000000000000 0.73961904082767 0.85707017380091 1.008 > 3 44 H 0.75000000000000 0.73961904082767 0.85707017380091 1.008 > 3 45 H 0.00000000000000 0.73961904082767 0.64292982619909 1.008 > 5 46 H 0.50000000000000 0.73961904082767 0.64292982619909 1.008 > 5 47 H 0.25000000000000 0.76038095917233 0.35707017380091 1.008 > 7 48 H 0.75000000000000 0.76038095917233 0.35707017380091 1.008 > 7 49 H 0.00000000000000 0.97515883671746 0.35410566575217 1.008 > 9 50 H 0.50000000000000 0.97515883671746 0.35410566575217 1.008 > 9 51 H 0.25000000000000 0.52484116328254 0.64589433424783 1.008 > 11 52 H 0.75000000000000 0.52484116328254 0.64589433424783 1.008 > 11 53 H 0.00000000000000 0.52484116328254 0.85410566575217 1.008 > 13 54 H 0.50000000000000 0.52484116328254 0.85410566575217 1.008 > 13 55 H 0.25000000000000 0.97515883671746 0.14589433424783 1.008 > 15 56 H 0.75000000000000 0.97515883671746 0.14589433424783 1.008 > 15 57 H 0.37500000000000 0.61555094611542 0.25000000000000 1.008 > 17 58 H 0.87500000000000 0.61555094611542 0.25000000000000 1.008 > 17 59 H 0.12500000000000 0.88444905388458 0.75000000000000 1.008 > 19 60 H 0.62500000000000 0.88444905388458 0.75000000000000 1.008 > 19 61 H 0.37500000000000 0.88444905388458 0.75000000000000 1.008 > 21 62 H 0.87500000000000 0.88444905388458 0.75000000000000 1.008 > 21 63 H 0.12500000000000 0.61555094611542 0.25000000000000 1.008 > 23 64 H 0.62500000000000 0.61555094611542 0.25000000000000 1.008 > 23 65 H 0.14194247508672 0.89996191622463 0.96238945263824 1.008 > 25 66 H 0.64194247508672 0.89996191622463 0.96238945263824 1.008 > 25 67 H 0.39194247508672 0.60003808377537 0.03761054736176 1.008 > 27 68 H 0.89194247508672 0.60003808377537 0.03761054736176 1.008 > 27 69 H 0.14194247508672 0.60003808377537 0.46238945263824 1.008 > 29 70 H 0.64194247508672 0.60003808377537 0.46238945263824 1.008 > 29 71 H 0.39194247508672 0.89996191622463 0.53761054736176 1.008 > 31 72 H 0.89194247508672 0.89996191622463 0.53761054736176 1.008 > 31 73 H 0.35805752491328 0.89996191622463 0.96238945263824 1.008 > 33 74 H 0.85805752491328 0.89996191622463 0.96238945263824 1.008 > 33 75 H 0.10805752491328 0.60003808377537 0.03761054736176 1.008 > 35 76 H 0.60805752491328 0.60003808377537 0.03761054736176 1.008 > 35 77 H 0.10805752491328 0.89996191622463 0.53761054736176 1.008 > 37 78 H 0.60805752491328 0.89996191622463 0.53761054736176 1.008 > 37 79 H 0.35805752491328 0.60003808377537 0.46238945263824 1.008 > 39 80 H 0.85805752491328 0.60003808377537 0.46238945263824 1.008 > 39 81 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 81 82 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 81 83 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 83 84 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 83 85 Mg 0.25000000000000 0.12570114840082 0.15545829822502 24.305 > 85 86 Mg 0.75000000000000 0.12570114840082 0.15545829822502 24.305 > 85 87 Mg 0.00000000000000 0.37429885159918 0.84454170177498 24.305 > 87 88 Mg 0.50000000000000 0.37429885159918 0.84454170177498 24.305 > 87 89 Mg 0.25000000000000 0.37429885159918 0.65545829822502 24.305 > 89 90 Mg 0.75000000000000 0.37429885159918 0.65545829822502 24.305 > 89 91 Mg 0.00000000000000 0.12570114840082 0.34454170177498 24.305 > 91 92 Mg 0.50000000000000 0.12570114840082 0.34454170177498 24.305 > 91 93 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 81 94 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 81 95 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 83 96 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 83 97 Mg 0.00000000000000 0.62570114840082 0.15545829822502 24.305 > 85 98 Mg 0.50000000000000 0.62570114840082 0.15545829822502 24.305 > 85 99 Mg 0.25000000000000 0.87429885159918 0.84454170177498 24.305 > 87 100 Mg 0.75000000000000 0.87429885159918 0.84454170177498 24.305 > 87 101 Mg 0.00000000000000 0.87429885159918 0.65545829822502 24.305 > 89 102 Mg 0.50000000000000 0.87429885159918 0.65545829822502 24.305 > 89 103 Mg 0.25000000000000 0.62570114840082 0.34454170177498 24.305 > 91 104 Mg 0.75000000000000 0.62570114840082 0.34454170177498 24.305 > 91 105 Rb 0.25000000000000 0.46204212669058 0.13924263689288 85.468 > 105 106 Rb 0.75000000000000 0.46204212669058 0.13924263689288 85.468 > 105 107 Rb 0.00000000000000 0.03795787330942 0.86075736310712 85.468 > 107 108 Rb 0.50000000000000 0.03795787330942 0.86075736310712 85.468 > 107 109 Rb 0.25000000000000 0.03795787330942 0.63924263689288 85.468 > 109 110 Rb 0.75000000000000 0.03795787330942 0.63924263689288 85.468 > 109 111 Rb 0.00000000000000 0.46204212669058 0.36075736310712 85.468 > 111 112 Rb 0.50000000000000 0.46204212669058 0.36075736310712 85.468 > 111 113 Rb 0.25000000000000 0.25780532545092 0.39591054280098 85.468 > 113 114 Rb 0.75000000000000 0.25780532545092 0.39591054280098 85.468 > 113 115 Rb 0.00000000000000 0.24219467454908 0.60408945719902 85.468 > 115 116 Rb 0.50000000000000 0.24219467454908 0.60408945719902 85.468 > 115 117 Rb 0.25000000000000 0.24219467454908 0.89591054280098 85.468 > 117 118 Rb 0.75000000000000 0.24219467454908 0.89591054280098 85.468 > 117 119 Rb 0.00000000000000 0.25780532545092 0.10408945719902 85.468 > 119 120 Rb 0.50000000000000 0.25780532545092 0.10408945719902 85.468 > 119 121 Rb 0.00000000000000 0.96204212669058 0.13924263689288 85.468 > 105 122 Rb 0.50000000000000 0.96204212669058 0.13924263689288 85.468 > 105 123 Rb 0.25000000000000 0.53795787330942 0.86075736310712 85.468 > 107 124 Rb 0.75000000000000 0.53795787330942 0.86075736310712 85.468 > 107 125 Rb 0.00000000000000 0.53795787330942 0.63924263689288 85.468 > 109 126 Rb 0.50000000000000 0.53795787330942 0.63924263689288 85.468 > 109 127 Rb 0.25000000000000 0.96204212669058 0.36075736310712 85.468 > 111 128 Rb 0.75000000000000 0.96204212669058 0.36075736310712 85.468 > 111 129 Rb 0.00000000000000 0.75780532545092 0.39591054280098 85.468 > 113 130 Rb 0.50000000000000 0.75780532545092 0.39591054280098 85.468 > 113 131 Rb 0.25000000000000 0.74219467454908 0.60408945719902 85.468 > 115 132 Rb 0.75000000000000 0.74219467454908 0.60408945719902 85.468 > 115 133 Rb 0.00000000000000 0.74219467454908 0.89591054280098 85.468 > 117 134 Rb 0.50000000000000 0.74219467454908 0.89591054280098 85.468 > 117 135 Rb 0.25000000000000 0.75780532545092 0.10408945719902 85.468 > 119 136 Rb 0.75000000000000 0.75780532545092 0.10408945719902 85.468 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3261363 0.0000000 0.0000000 0.0000000 3.2922211 0.0000000 0.0000000 0.0000000 3.4068469 -------------------------- Born effective charges -------------------------- 1 H -0.8674401 0.0000000 0.0000000 0.0000000 -1.0544780 0.0167889 0.0000000 0.0435631 -0.8782822 2 H -0.8674401 0.0000000 0.0000000 0.0000000 -1.0544780 0.0167889 0.0000000 0.0435631 -0.8782822 3 H -0.8674401 0.0000000 0.0000000 0.0000000 -1.0544780 -0.0167889 0.0000000 -0.0435631 -0.8782822 4 H -0.8674401 0.0000000 0.0000000 0.0000000 -1.0544780 -0.0167889 0.0000000 -0.0435631 -0.8782822 5 H -0.7613317 0.0000000 0.0000000 0.0000000 -0.9372629 -0.0090089 0.0000000 0.0721518 -0.9790927 6 H -0.7613317 0.0000000 0.0000000 0.0000000 -0.9372629 -0.0090089 0.0000000 0.0721518 -0.9790927 7 H -0.7613317 0.0000000 0.0000000 0.0000000 -0.9372629 0.0090089 0.0000000 -0.0721518 -0.9790927 8 H -0.7613317 0.0000000 0.0000000 0.0000000 -0.9372629 0.0090089 0.0000000 -0.0721518 -0.9790927 9 H -1.0837747 0.0000000 0.2515910 0.0000000 -0.7000482 0.0000000 0.2527499 0.0000000 -1.0068739 10 H -1.0837747 0.0000000 -0.2515910 0.0000000 -0.7000482 0.0000000 -0.2527499 0.0000000 -1.0068739 11 H -1.0837747 0.0000000 0.2515910 0.0000000 -0.7000482 0.0000000 0.2527499 0.0000000 -1.0068739 12 H -1.0837747 0.0000000 -0.2515910 0.0000000 -0.7000482 0.0000000 -0.2527499 0.0000000 -1.0068739 13 H -0.8964626 -0.0627367 0.0413468 -0.0557992 -0.8521175 -0.0808956 0.0660174 -0.1169087 -0.9123467 14 H -0.8964626 0.0627367 -0.0413468 0.0557992 -0.8521175 -0.0808956 -0.0660174 -0.1169087 -0.9123467 15 H -0.8964626 0.0627367 0.0413468 0.0557992 -0.8521175 0.0808956 0.0660174 0.1169087 -0.9123467 16 H -0.8964626 -0.0627367 -0.0413468 -0.0557992 -0.8521175 0.0808956 -0.0660174 0.1169087 -0.9123467 17 H -0.8964626 0.0627367 -0.0413468 0.0557992 -0.8521175 -0.0808956 -0.0660174 -0.1169087 -0.9123467 18 H -0.8964626 -0.0627367 0.0413468 -0.0557992 -0.8521175 -0.0808956 0.0660174 -0.1169087 -0.9123467 19 H -0.8964626 0.0627367 0.0413468 0.0557992 -0.8521175 0.0808956 0.0660174 0.1169087 -0.9123467 20 H -0.8964626 -0.0627367 -0.0413468 -0.0557992 -0.8521175 0.0808956 -0.0660174 0.1169087 -0.9123467 21 Mg 1.3022456 0.0000000 0.0000000 0.0000000 1.4190966 0.2459890 0.0000000 0.2783796 1.6014458 22 Mg 1.3022456 0.0000000 0.0000000 0.0000000 1.4190966 -0.2459890 0.0000000 -0.2783796 1.6014458 23 Mg 1.6529666 0.0000000 0.0000000 0.0000000 1.5241600 0.1221842 0.0000000 0.1451787 1.7586309 24 Mg 1.6529666 0.0000000 0.0000000 0.0000000 1.5241600 0.1221842 0.0000000 0.1451787 1.7586309 25 Mg 1.6529666 0.0000000 0.0000000 0.0000000 1.5241600 -0.1221842 0.0000000 -0.1451787 1.7586309 26 Mg 1.6529666 0.0000000 0.0000000 0.0000000 1.5241600 -0.1221842 0.0000000 -0.1451787 1.7586309 27 Rb 1.1283978 0.0000000 0.0000000 0.0000000 0.9860259 0.0631659 0.0000000 0.0753268 1.0294612 28 Rb 1.1283978 0.0000000 0.0000000 0.0000000 0.9860259 0.0631659 0.0000000 0.0753268 1.0294612 29 Rb 1.1283978 0.0000000 0.0000000 0.0000000 0.9860259 -0.0631659 0.0000000 -0.0753268 1.0294612 30 Rb 1.1283978 0.0000000 0.0000000 0.0000000 0.9860259 -0.0631659 0.0000000 -0.0753268 1.0294612 31 Rb 1.0729846 0.0000000 0.0000000 0.0000000 1.1762899 0.1776224 0.0000000 0.1544856 1.1001272 32 Rb 1.0729846 0.0000000 0.0000000 0.0000000 1.1762899 0.1776224 0.0000000 0.1544856 1.1001272 33 Rb 1.0729846 0.0000000 0.0000000 0.0000000 1.1762899 -0.1776224 0.0000000 -0.1544856 1.1001272 34 Rb 1.0729846 0.0000000 0.0000000 0.0000000 1.1762899 -0.1776224 0.0000000 -0.1544856 1.1001272 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 293, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.344 ( 0.000 0.000 0.000) 0.000 1.445 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.308 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.588 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 5.676 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 5.783 ( 0.000 0.000 0.000) 0.000 5.884 ( 0.000 0.000 0.000) 0.000 6.915 ( 0.000 0.000 0.000) 0.000 6.999 ( 0.000 0.000 0.000) 0.000 7.357 ( 0.000 0.000 0.000) 0.000 7.907 ( 0.000 0.000 0.000) 0.000 11.359 ( 0.000 0.000 0.000) 0.000 11.572 ( 0.000 0.000 0.000) 0.000 11.778 ( 0.000 0.000 0.000) 0.000 11.860 ( 0.000 0.000 0.000) 0.000 12.227 ( 0.000 0.000 0.000) 0.000 12.413 ( 0.000 0.000 0.000) 0.000 12.438 ( 0.000 0.000 0.000) 0.000 12.685 ( 0.000 0.000 0.000) 0.000 13.339 ( 0.000 0.000 0.000) 0.000 13.756 ( 0.000 0.000 0.000) 0.000 14.676 ( 0.000 0.000 0.000) 0.000 15.250 ( 0.000 0.000 0.000) 0.000 15.943 ( 0.000 0.000 0.000) 0.000 16.101 ( 0.000 0.000 0.000) 0.000 17.416 ( 0.000 0.000 0.000) 0.000 17.421 ( 0.000 0.000 0.000) 0.000 17.483 ( 0.000 0.000 0.000) 0.000 17.546 ( 0.000 0.000 0.000) 0.000 17.847 ( 0.000 0.000 0.000) 0.000 18.228 ( 0.000 0.000 0.000) 0.000 18.711 ( 0.000 0.000 0.000) 0.000 19.498 ( 0.000 0.000 0.000) 0.000 19.650 ( 0.000 0.000 0.000) 0.000 20.327 ( 0.000 0.000 0.000) 0.000 20.386 ( 0.000 0.000 0.000) 0.000 20.619 ( 0.000 0.000 0.000) 0.000 20.665 ( 0.000 0.000 0.000) 0.000 21.550 ( 0.000 0.000 0.000) 0.000 21.751 ( 0.000 0.000 0.000) 0.000 22.688 ( 0.000 0.000 0.000) 0.000 23.047 ( 0.000 0.000 0.000) 0.000 23.626 ( 0.000 0.000 0.000) 0.000 24.461 ( 0.000 0.000 0.000) 0.000 24.483 ( 0.000 0.000 0.000) 0.000 24.498 ( 0.000 0.000 0.000) 0.000 24.819 ( 0.000 0.000 0.000) 0.000 24.922 ( 0.000 0.000 0.000) 0.000 25.505 ( 0.000 0.000 0.000) 0.000 26.015 ( 0.000 0.000 0.000) 0.000 28.026 ( 0.000 0.000 0.000) 0.000 28.494 ( 0.000 0.000 0.000) 0.000 28.795 ( 0.000 0.000 0.000) 0.000 28.874 ( 0.000 0.000 0.000) 0.000 28.878 ( 0.000 0.000 0.000) 0.000 29.711 ( 0.000 0.000 0.000) 0.000 30.009 ( 0.000 0.000 0.000) 0.000 30.099 ( 0.000 0.000 0.000) 0.000 30.325 ( 0.000 0.000 0.000) 0.000 30.528 ( 0.000 0.000 0.000) 0.000 30.944 ( 0.000 0.000 0.000) 0.000 33.544 ( 0.000 0.000 0.000) 0.000 33.642 ( 0.000 0.000 0.000) 0.000 34.162 ( 0.000 0.000 0.000) 0.000 34.309 ( 0.000 0.000 0.000) 0.000 35.422 ( 0.000 0.000 0.000) 0.000 35.675 ( 0.000 0.000 0.000) 0.000 35.681 ( 0.000 0.000 0.000) 0.000 35.778 ( 0.000 0.000 0.000) 0.000 36.638 ( 0.000 0.000 0.000) 0.000 36.681 ( 0.000 0.000 0.000) 0.000 41.018 ( 0.000 0.000 0.000) 0.000 41.330 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 20.882 -11.404 0.000) 23.793 0.500 ( 21.231 -9.871 0.000) 23.413 0.859 ( 38.860 -13.028 0.000) 40.986 1.410 ( 5.984 -0.947 0.000) 6.059 1.440 ( -0.524 0.653 0.000) 0.837 1.458 ( -1.660 0.118 0.000) 1.664 1.560 ( 4.257 -1.687 0.000) 4.579 1.688 ( 1.986 2.752 0.000) 3.394 1.746 ( 1.715 -4.480 0.000) 4.797 1.819 ( 3.584 0.129 0.000) 3.586 1.891 ( 10.205 -2.316 0.000) 10.464 2.070 ( 1.028 -0.297 0.000) 1.070 2.197 ( 0.607 1.438 0.000) 1.561 2.231 ( 2.185 -0.714 0.000) 2.299 2.317 ( 0.699 -0.872 0.000) 1.117 2.337 ( -2.186 0.737 0.000) 2.307 2.431 ( -1.585 0.815 0.000) 1.782 2.442 ( -0.475 2.094 0.000) 2.147 2.458 ( -0.096 0.789 0.000) 0.794 2.494 ( 3.930 -2.493 0.000) 4.654 2.507 ( -2.023 0.055 0.000) 2.024 2.678 ( -3.166 -0.666 0.000) 3.236 2.680 ( -3.176 0.469 0.000) 3.211 2.738 ( -3.085 0.190 0.000) 3.090 3.458 ( 1.236 -0.320 0.000) 1.277 4.293 ( -3.017 -3.524 0.000) 4.639 4.661 ( 7.580 -0.076 0.000) 7.580 4.845 ( 7.255 4.954 0.000) 8.785 5.265 ( -0.339 0.544 0.000) 0.641 5.339 ( -0.681 -1.544 0.000) 1.688 5.371 ( 2.946 -1.216 0.000) 3.187 5.470 ( -2.628 0.552 0.000) 2.685 5.699 ( 1.973 0.254 0.000) 1.990 5.769 ( -0.077 1.499 0.000) 1.501 5.855 ( -3.081 -0.126 0.000) 3.084 5.927 ( -1.015 1.527 0.000) 1.833 6.875 ( -4.487 0.031 0.000) 4.487 6.937 ( -6.098 -0.216 0.000) 6.101 7.387 ( 2.631 0.277 0.000) 2.645 7.875 ( -3.569 -0.489 0.000) 3.603 11.352 ( -0.649 0.154 0.000) 0.667 11.514 ( -2.561 7.981 0.000) 8.382 11.706 ( -6.066 -1.152 0.000) 6.174 11.800 ( -7.097 -7.542 0.000) 10.356 12.145 ( -6.848 -1.816 0.000) 7.085 12.592 ( 13.752 0.325 0.000) 13.756 12.652 ( 23.443 1.407 0.000) 23.485 13.068 ( 30.456 2.524 0.000) 30.560 13.278 ( -7.241 4.632 0.000) 8.596 13.778 ( 7.469 4.944 0.000) 8.957 14.784 ( 11.322 0.429 0.000) 11.330 15.975 ( 4.346 2.401 0.000) 4.965 16.133 ( 6.278 13.073 0.000) 14.502 16.303 ( 8.597 31.128 0.000) 32.293 17.333 ( -15.314 3.726 0.000) 15.761 17.514 ( 4.773 -2.476 0.000) 5.377 17.531 ( 11.345 1.441 0.000) 11.436 17.617 ( 9.943 3.250 0.000) 10.461 17.934 ( 7.997 0.479 0.000) 8.011 18.202 ( -3.516 -3.403 0.000) 4.893 18.789 ( 6.627 -1.613 0.000) 6.820 19.460 ( -16.528 -1.360 0.000) 16.584 19.691 ( -4.788 -29.318 0.000) 29.706 20.289 ( -2.905 1.758 0.000) 3.395 20.444 ( 7.298 9.373 0.000) 11.879 20.649 ( 2.858 -1.669 0.000) 3.309 21.755 ( 6.739 -0.804 0.000) 6.787 21.908 ( 22.411 -11.023 0.000) 24.975 22.283 ( 15.615 51.993 0.000) 54.287 23.061 ( 0.821 -1.730 0.000) 1.915 23.652 ( 5.103 7.475 0.000) 9.050 24.046 ( -2.830 -31.200 0.000) 31.328 24.468 ( -3.314 -0.959 0.000) 3.450 24.566 ( 10.658 0.030 0.000) 10.658 24.865 ( -1.120 5.674 0.000) 5.784 24.914 ( 8.012 0.280 0.000) 8.016 25.428 ( -8.883 -1.121 0.000) 8.953 25.652 ( 4.463 8.497 0.000) 9.598 25.969 ( -4.812 -0.022 0.000) 4.812 28.034 ( -0.830 -3.874 0.000) 3.962 28.285 ( -13.659 21.447 0.000) 25.427 28.727 ( -10.705 -17.657 0.000) 20.648 28.968 ( 10.347 0.669 0.000) 10.369 29.131 ( -1.618 -29.212 0.000) 29.256 29.670 ( -4.817 -1.798 0.000) 5.142 29.855 ( -15.657 0.457 0.000) 15.664 30.481 ( 5.618 7.383 0.000) 9.277 30.602 ( 9.862 -5.186 0.000) 11.143 30.782 ( 0.318 18.407 0.000) 18.410 31.287 ( 0.244 -0.011 0.000) 0.244 33.526 ( -1.908 0.141 0.000) 1.913 33.633 ( -6.075 -4.512 0.000) 7.567 34.179 ( 1.250 -1.377 0.000) 1.860 34.327 ( 1.579 -0.649 0.000) 1.707 35.309 ( -10.749 3.688 0.000) 11.364 35.555 ( -22.017 -21.389 0.000) 30.696 35.672 ( -0.644 -0.626 0.000) 0.899 35.724 ( -6.905 -1.996 0.000) 7.188 37.133 ( 38.860 -1.029 0.000) 38.873 37.967 ( 26.307 15.465 0.000) 30.516 40.952 ( -7.075 -0.083 0.000) 7.075 41.223 ( -10.666 0.887 0.000) 10.703 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 15.758 -7.527 0.000) 17.464 0.948 ( 18.943 -9.782 0.000) 21.319 1.422 ( -0.301 0.971 0.000) 1.016 1.447 ( 2.554 -0.505 0.000) 2.604 1.556 ( 9.020 0.591 0.000) 9.040 1.602 ( -0.093 0.251 0.000) 0.268 1.632 ( 29.402 -11.932 0.000) 31.731 1.767 ( 6.341 -0.795 0.000) 6.391 1.864 ( 6.634 -5.332 0.000) 8.511 1.906 ( 5.694 -0.149 0.000) 5.696 2.080 ( 6.885 -1.635 0.000) 7.077 2.093 ( 1.078 0.001 0.000) 1.078 2.197 ( 1.513 2.919 0.000) 3.288 2.271 ( 0.126 1.377 0.000) 1.383 2.299 ( -0.116 1.085 0.000) 1.091 2.331 ( -0.940 1.838 0.000) 2.065 2.403 ( 0.457 -1.600 0.000) 1.664 2.409 ( -2.246 0.292 0.000) 2.265 2.436 ( -0.470 1.178 0.000) 1.268 2.460 ( -2.680 -0.202 0.000) 2.688 2.602 ( -3.072 -0.209 0.000) 3.079 2.611 ( -4.461 -0.692 0.000) 4.514 2.617 ( 5.215 -2.760 0.000) 5.901 2.657 ( -5.312 -0.407 0.000) 5.328 3.505 ( 3.523 -0.740 0.000) 3.600 4.238 ( -4.586 -0.024 0.000) 4.586 4.856 ( 12.688 0.032 0.000) 12.688 4.971 ( 8.993 2.626 0.000) 9.368 5.250 ( -0.672 0.784 0.000) 1.033 5.329 ( -1.614 -1.064 0.000) 1.934 5.416 ( -2.549 0.514 0.000) 2.600 5.475 ( 7.984 0.502 0.000) 8.000 5.725 ( 0.868 0.988 0.000) 1.315 5.776 ( 3.162 2.233 0.000) 3.871 5.781 ( -4.660 -0.626 0.000) 4.702 5.888 ( -1.608 1.794 0.000) 2.410 6.737 ( -9.875 1.233 0.000) 9.952 6.800 ( -9.298 -1.670 0.000) 9.447 7.431 ( 2.229 0.597 0.000) 2.307 7.788 ( -5.862 -0.239 0.000) 5.867 11.335 ( -1.120 -0.050 0.000) 1.121 11.396 ( -1.817 8.753 0.000) 8.940 11.624 ( -3.332 -2.086 0.000) 3.931 11.754 ( -4.825 -8.195 0.000) 9.510 12.033 ( -6.960 -2.324 0.000) 7.337 12.857 ( 6.107 6.850 0.000) 9.177 13.017 ( -4.838 1.956 0.000) 5.219 13.162 ( 29.528 0.234 0.000) 29.529 13.742 ( 42.025 2.681 0.000) 42.111 13.997 ( 19.532 6.288 0.000) 20.519 15.066 ( 18.900 0.860 0.000) 18.920 15.978 ( -5.601 20.920 0.000) 21.657 16.054 ( 5.571 2.448 0.000) 6.085 16.369 ( 9.741 1.523 0.000) 9.859 16.943 ( -20.821 4.595 0.000) 21.321 17.674 ( 7.314 -6.109 0.000) 9.529 17.757 ( 13.693 2.823 0.000) 13.981 17.822 ( 12.709 0.908 0.000) 12.741 17.946 ( -9.897 -1.025 0.000) 9.950 18.297 ( 12.776 -2.527 0.000) 13.023 18.929 ( 5.172 -2.863 0.000) 5.911 19.155 ( -17.369 -2.780 0.000) 17.590 19.929 ( 9.629 -18.271 0.000) 20.653 20.214 ( -2.499 2.553 0.000) 3.572 20.457 ( 4.326 14.416 0.000) 15.051 20.747 ( 5.272 -1.968 0.000) 5.627 21.895 ( 5.402 -9.741 0.000) 11.139 22.167 ( 1.422 14.253 0.000) 14.324 22.491 ( 27.148 -6.997 0.000) 28.036 23.115 ( 2.530 -4.869 0.000) 5.487 23.663 ( 3.365 11.111 0.000) 11.609 24.247 ( -1.020 -14.965 0.000) 15.000 24.433 ( 3.761 0.100 0.000) 3.762 24.707 ( 0.128 13.283 0.000) 13.284 24.869 ( 14.707 -0.491 0.000) 14.715 25.158 ( 16.885 1.572 0.000) 16.958 25.200 ( -13.464 4.678 0.000) 14.253 25.703 ( 9.118 10.182 0.000) 13.668 25.853 ( -7.405 -1.530 0.000) 7.562 27.731 ( -25.173 20.962 0.000) 32.758 28.053 ( -1.224 -5.421 0.000) 5.558 28.646 ( -15.496 -20.756 0.000) 25.903 29.237 ( 18.392 0.639 0.000) 18.404 29.360 ( 7.819 -7.213 0.000) 10.638 29.600 ( -3.511 -7.603 0.000) 8.374 29.602 ( -10.783 0.071 0.000) 10.784 30.478 ( 0.222 3.030 0.000) 3.038 30.638 ( -3.843 7.474 0.000) 8.404 30.828 ( 10.226 -0.013 0.000) 10.226 31.283 ( 0.463 3.630 0.000) 3.659 33.470 ( -3.670 0.733 0.000) 3.743 33.531 ( -6.542 -0.248 0.000) 6.547 34.230 ( 2.671 -2.151 0.000) 3.430 34.375 ( 3.104 -0.633 0.000) 3.168 35.041 ( -14.229 0.835 0.000) 14.254 35.293 ( -19.621 -9.785 0.000) 21.926 35.645 ( -2.327 -0.043 0.000) 2.328 35.661 ( -1.104 -0.898 0.000) 1.424 37.933 ( 43.230 -1.844 0.000) 43.269 38.434 ( 31.160 5.260 0.000) 31.600 40.757 ( -13.979 -0.077 0.000) 13.979 40.942 ( -18.150 0.931 0.000) 18.174 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 8.111 -4.400 0.000) 9.227 1.329 ( 13.587 -6.414 0.000) 15.024 1.405 ( -0.729 1.061 0.000) 1.288 1.514 ( 5.193 -2.779 0.000) 5.890 1.578 ( -1.279 0.688 0.000) 1.453 1.742 ( 11.126 1.209 0.000) 11.192 1.911 ( 7.290 -2.473 0.000) 7.698 1.998 ( 5.926 -0.024 0.000) 5.926 2.030 ( 6.654 -3.371 0.000) 7.459 2.092 ( 6.222 -1.272 0.000) 6.351 2.107 ( 0.368 0.313 0.000) 0.483 2.152 ( 0.432 -0.249 0.000) 0.499 2.195 ( -4.752 3.580 0.000) 5.949 2.238 ( -1.239 1.167 0.000) 1.702 2.280 ( -2.589 1.102 0.000) 2.814 2.334 ( 9.591 -1.516 0.000) 9.710 2.361 ( -1.681 2.212 0.000) 2.778 2.365 ( -2.482 -1.087 0.000) 2.710 2.433 ( 0.977 0.759 0.000) 1.238 2.507 ( -2.798 -0.280 0.000) 2.812 2.509 ( 0.738 -0.719 0.000) 1.030 2.566 ( -0.698 -2.202 0.000) 2.310 2.590 ( -2.053 -3.727 0.000) 4.255 2.754 ( 5.133 -3.701 0.000) 6.328 3.608 ( 6.808 -1.043 0.000) 6.888 4.122 ( -7.475 0.682 0.000) 7.506 5.088 ( 10.124 1.235 0.000) 10.199 5.131 ( 10.527 0.096 0.000) 10.527 5.230 ( -0.787 0.536 0.000) 0.952 5.297 ( -2.056 -0.456 0.000) 2.106 5.367 ( -2.456 0.304 0.000) 2.474 5.659 ( 12.176 1.019 0.000) 12.218 5.661 ( -6.293 -0.041 0.000) 6.293 5.753 ( 0.612 0.360 0.000) 0.710 5.839 ( -0.206 1.666 0.000) 1.679 5.880 ( 8.558 2.491 0.000) 8.913 6.502 ( -13.757 1.411 0.000) 13.829 6.610 ( -12.944 -2.334 0.000) 13.153 7.461 ( 1.801 0.636 0.000) 1.910 7.673 ( -6.156 0.240 0.000) 6.161 11.314 ( -1.426 -0.879 0.000) 1.675 11.322 ( 0.380 6.713 0.000) 6.724 11.638 ( 2.327 -4.674 0.000) 5.221 11.744 ( -2.348 -6.234 0.000) 6.662 11.924 ( -6.311 -1.527 0.000) 6.493 12.501 ( -17.877 13.226 0.000) 22.238 13.324 ( 19.148 -4.891 0.000) 19.763 13.644 ( 19.292 -0.884 0.000) 19.312 14.356 ( 23.157 5.516 0.000) 23.805 14.519 ( 42.355 3.947 0.000) 42.539 15.432 ( 17.246 2.060 0.000) 17.369 15.691 ( -6.839 11.078 0.000) 13.019 16.114 ( 1.420 1.282 0.000) 1.913 16.509 ( -22.775 2.601 0.000) 22.923 16.571 ( 12.820 0.774 0.000) 12.843 17.658 ( -19.564 -1.035 0.000) 19.591 17.859 ( 5.042 -7.461 0.000) 9.005 17.949 ( 10.840 8.651 0.000) 13.869 18.060 ( 11.851 -3.567 0.000) 12.377 18.584 ( 13.625 -1.576 0.000) 13.716 18.868 ( -15.411 -3.300 0.000) 15.760 19.006 ( 0.764 -2.365 0.000) 2.485 20.151 ( -0.970 -3.662 0.000) 3.789 20.324 ( 15.669 -9.930 0.000) 18.551 20.388 ( 0.792 14.015 0.000) 14.038 20.843 ( 3.642 0.687 0.000) 3.706 22.090 ( 7.404 -5.858 0.000) 9.441 22.133 ( 0.689 -0.818 0.000) 1.069 22.955 ( 15.261 -9.836 0.000) 18.156 23.249 ( 5.767 -10.788 0.000) 12.233 23.589 ( -0.942 13.142 0.000) 13.176 24.157 ( -10.990 0.178 0.000) 10.991 24.584 ( 2.251 17.225 0.000) 17.371 24.658 ( 14.040 -3.015 0.000) 14.360 24.894 ( -14.060 4.446 0.000) 14.746 25.202 ( 17.393 0.186 0.000) 17.394 25.396 ( 6.528 4.637 0.000) 8.007 25.810 ( 8.022 6.091 0.000) 10.073 25.823 ( 6.700 -4.797 0.000) 8.240 27.091 ( -26.852 14.686 0.000) 30.605 28.075 ( -0.136 -3.896 0.000) 3.899 28.477 ( -17.241 -14.736 0.000) 22.680 29.390 ( -3.343 0.356 0.000) 3.362 29.421 ( -4.487 1.343 0.000) 4.684 29.640 ( 20.060 -0.078 0.000) 20.060 29.795 ( 11.933 -9.719 0.000) 15.390 30.454 ( -1.091 0.888 0.000) 1.407 30.526 ( -4.787 0.871 0.000) 4.865 30.971 ( 5.454 0.369 0.000) 5.466 31.235 ( -1.723 5.760 0.000) 6.012 33.385 ( -4.110 1.356 0.000) 4.328 33.408 ( -5.912 0.776 0.000) 5.963 34.312 ( 4.381 -2.011 0.000) 4.820 34.455 ( 5.161 -0.429 0.000) 5.179 34.789 ( -12.219 0.369 0.000) 12.224 35.008 ( -16.153 -3.636 0.000) 16.557 35.621 ( -0.713 -0.355 0.000) 0.796 35.646 ( -1.209 -0.726 0.000) 1.411 38.721 ( 39.338 -1.523 0.000) 39.368 38.999 ( 32.008 2.173 0.000) 32.082 40.434 ( -20.720 0.153 0.000) 20.721 40.552 ( -22.908 0.325 0.000) 22.910 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 3.457 -2.245 0.000) 4.122 1.374 ( -1.605 1.368 0.000) 2.109 1.492 ( 3.219 -1.383 0.000) 3.503 1.543 ( -1.831 0.700 0.000) 1.960 1.740 ( 12.444 -5.871 0.000) 13.759 1.937 ( 10.191 1.282 0.000) 10.271 1.990 ( -8.230 4.150 0.000) 9.217 2.057 ( 2.847 -2.474 0.000) 3.771 2.071 ( -0.848 0.743 0.000) 1.127 2.088 ( -1.098 0.694 0.000) 1.299 2.121 ( 0.395 -1.551 0.000) 1.601 2.156 ( -0.809 1.883 0.000) 2.049 2.184 ( 5.287 -0.679 0.000) 5.330 2.188 ( 0.208 1.770 0.000) 1.782 2.221 ( -1.930 0.442 0.000) 1.980 2.274 ( -4.811 -3.563 0.000) 5.987 2.314 ( -0.279 3.069 0.000) 3.081 2.363 ( -6.208 1.376 0.000) 6.359 2.456 ( 2.352 1.590 0.000) 2.839 2.485 ( -1.588 -2.473 0.000) 2.939 2.568 ( 1.966 -0.390 0.000) 2.004 2.582 ( -0.139 -1.596 0.000) 1.602 2.730 ( 9.089 -3.052 0.000) 9.588 2.828 ( -0.624 -1.587 0.000) 1.705 3.769 ( 9.384 -0.944 0.000) 9.431 3.956 ( -9.545 0.711 0.000) 9.571 5.197 ( 3.084 0.552 0.000) 3.133 5.216 ( -0.514 -0.081 0.000) 0.520 5.266 ( 1.679 0.724 0.000) 1.829 5.315 ( -2.998 0.062 0.000) 2.998 5.354 ( 9.769 -0.732 0.000) 9.797 5.526 ( -8.181 -0.021 0.000) 8.181 5.767 ( 1.021 0.001 0.000) 1.021 5.789 ( -0.441 1.086 0.000) 1.172 5.930 ( 14.302 0.153 0.000) 14.303 6.089 ( 14.865 2.707 0.000) 15.109 6.217 ( -15.592 0.623 0.000) 15.605 6.360 ( -15.629 -2.489 0.000) 15.826 7.498 ( 2.789 0.243 0.000) 2.800 7.567 ( -4.719 0.227 0.000) 4.725 11.296 ( 1.466 4.535 0.000) 4.766 11.298 ( -1.629 -2.446 0.000) 2.939 11.762 ( 1.916 -3.276 0.000) 3.795 11.800 ( 7.762 -8.487 0.000) 11.502 11.828 ( -4.209 0.545 0.000) 4.244 12.095 ( -14.463 11.492 0.000) 18.472 13.680 ( 13.569 -4.177 0.000) 14.198 13.833 ( 0.699 0.896 0.000) 1.136 14.748 ( 21.132 0.630 0.000) 21.142 15.047 ( 2.872 7.818 0.000) 8.329 15.456 ( 16.010 -0.865 0.000) 16.033 15.895 ( 18.279 1.706 0.000) 18.358 15.952 ( -23.664 1.686 0.000) 23.724 16.140 ( -11.151 -0.764 0.000) 11.177 16.852 ( 18.656 0.512 0.000) 18.663 17.251 ( -23.444 -0.598 0.000) 23.451 17.982 ( 1.032 -8.094 0.000) 8.160 18.019 ( 4.440 8.899 0.000) 9.946 18.312 ( 12.741 -1.920 0.000) 12.885 18.565 ( -13.568 -0.611 0.000) 13.581 18.860 ( 8.727 -1.956 0.000) 8.943 18.989 ( -3.930 -0.180 0.000) 3.934 20.186 ( 1.068 -6.230 0.000) 6.321 20.280 ( -1.245 10.927 0.000) 10.998 20.663 ( 11.102 -8.158 0.000) 13.777 20.840 ( -2.596 4.233 0.000) 4.966 22.184 ( 0.632 -6.538 0.000) 6.568 22.209 ( 3.510 3.266 0.000) 4.794 23.235 ( 6.657 -12.138 0.000) 13.844 23.433 ( -4.042 13.270 0.000) 13.872 23.516 ( 10.572 -17.404 0.000) 20.363 23.873 ( -12.878 13.554 0.000) 18.697 24.551 ( 7.924 14.260 0.000) 16.314 24.652 ( -11.371 -5.330 0.000) 12.558 24.947 ( 13.878 -3.008 0.000) 14.200 25.209 ( -10.440 3.753 0.000) 11.094 25.611 ( 16.826 -0.790 0.000) 16.845 25.834 ( -3.878 2.265 0.000) 4.491 26.130 ( 17.796 -4.623 0.000) 18.387 26.539 ( -21.805 8.707 0.000) 23.479 28.128 ( 5.045 0.451 0.000) 5.065 28.271 ( -13.226 -7.094 0.000) 15.008 29.338 ( -1.881 -1.238 0.000) 2.252 29.347 ( -1.629 1.536 0.000) 2.239 29.978 ( 14.472 2.966 0.000) 14.772 30.038 ( 4.907 -5.407 0.000) 7.302 30.424 ( -1.404 -0.123 0.000) 1.409 30.441 ( -4.340 -1.741 0.000) 4.676 31.047 ( 2.811 -2.270 0.000) 3.613 31.136 ( -3.265 5.777 0.000) 6.636 33.316 ( -1.705 1.100 0.000) 2.029 33.320 ( -2.704 0.077 0.000) 2.705 34.427 ( 6.607 -1.376 0.000) 6.749 34.580 ( 8.115 -0.162 0.000) 8.117 34.583 ( -9.374 0.783 0.000) 9.406 34.763 ( -11.927 -0.896 0.000) 11.960 35.619 ( 0.223 -0.139 0.000) 0.263 35.630 ( -0.892 -0.295 0.000) 0.940 39.410 ( 33.534 -1.035 0.000) 33.550 39.568 ( 30.008 0.997 0.000) 30.025 39.983 ( -27.312 0.600 0.000) 27.318 40.091 ( -26.635 -0.386 0.000) 26.638 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 18.443 -0.000 0.000) 18.443 0.865 ( 21.917 -0.000 0.000) 21.917 1.432 ( 0.575 -0.000 0.000) 0.575 1.443 ( 0.594 -0.000 0.000) 0.594 1.529 ( 33.427 -0.000 0.000) 33.427 1.563 ( 10.042 -0.000 0.000) 10.042 1.603 ( 0.168 -0.000 0.000) 0.168 1.770 ( 4.717 -0.000 0.000) 4.717 1.809 ( 8.355 -0.000 0.000) 8.355 1.908 ( 5.950 -0.000 0.000) 5.950 2.065 ( 7.212 -0.000 0.000) 7.212 2.093 ( 1.241 -0.000 0.000) 1.241 2.220 ( 1.455 -0.000 0.000) 1.455 2.278 ( 2.513 -0.000 0.000) 2.513 2.312 ( -1.183 0.000 0.000) 1.183 2.342 ( 2.092 -0.000 0.000) 2.092 2.397 ( -2.264 0.000 0.000) 2.264 2.410 ( -3.237 0.000 0.000) 3.237 2.447 ( -0.167 0.000 0.000) 0.167 2.456 ( -2.565 0.000 0.000) 2.565 2.591 ( 6.130 -0.000 0.000) 6.130 2.599 ( -4.918 0.000 0.000) 4.918 2.603 ( -4.886 0.000 0.000) 4.886 2.656 ( -5.627 0.000 0.000) 5.627 3.498 ( 3.339 -0.000 0.000) 3.339 4.235 ( -3.916 0.000 0.000) 3.916 4.856 ( 12.847 -0.000 0.000) 12.847 4.995 ( 7.541 -0.000 0.000) 7.541 5.256 ( -0.824 0.000 0.000) 0.824 5.317 ( -1.071 0.000 0.000) 1.071 5.420 ( -2.727 0.000 0.000) 2.727 5.480 ( 8.193 -0.000 0.000) 8.193 5.735 ( 1.546 -0.000 0.000) 1.546 5.774 ( -5.336 0.000 0.000) 5.336 5.796 ( 3.232 -0.000 0.000) 3.232 5.903 ( -2.048 0.000 0.000) 2.048 6.752 ( -8.883 0.000 0.000) 8.883 6.781 ( -10.344 0.000 0.000) 10.344 7.436 ( 2.328 -0.000 0.000) 2.328 7.786 ( -5.548 0.000 0.000) 5.548 11.334 ( -1.403 0.000 0.000) 1.403 11.494 ( -3.294 0.000 0.000) 3.294 11.613 ( -3.320 0.000 0.000) 3.320 11.654 ( -3.925 0.000 0.000) 3.925 12.013 ( -6.464 0.000 0.000) 6.464 12.896 ( 18.308 -0.000 0.000) 18.308 13.052 ( -17.939 0.000 0.000) 17.939 13.165 ( 28.716 -0.000 0.000) 28.716 13.764 ( 41.842 -0.000 0.000) 41.842 14.049 ( 18.656 -0.000 0.000) 18.656 15.072 ( 18.904 -0.000 0.000) 18.904 16.074 ( 4.562 -0.000 0.000) 4.562 16.201 ( -16.507 0.000 0.000) 16.507 16.340 ( 10.512 -0.000 0.000) 10.512 16.979 ( -22.501 0.000 0.000) 22.501 17.628 ( 7.954 -0.000 0.000) 7.954 17.749 ( 12.438 -0.000 0.000) 12.438 17.907 ( 15.225 -0.000 0.000) 15.225 17.935 ( -10.567 0.000 0.000) 10.567 18.275 ( 13.874 -0.000 0.000) 13.874 18.890 ( 4.246 -0.000 0.000) 4.246 19.131 ( -17.339 0.000 0.000) 17.339 19.751 ( 15.440 -0.000 0.000) 15.440 20.238 ( -2.814 0.000 0.000) 2.814 20.644 ( 8.540 -0.000 0.000) 8.540 20.679 ( 1.579 -0.000 0.000) 1.579 21.798 ( 5.823 -0.000 0.000) 5.823 22.298 ( -12.289 0.000 0.000) 12.289 22.431 ( 27.389 -0.000 0.000) 27.389 23.077 ( 1.848 -0.000 0.000) 1.848 23.854 ( 3.512 -0.000 0.000) 3.512 24.018 ( 7.712 -0.000 0.000) 7.712 24.434 ( 2.741 -0.000 0.000) 2.741 24.838 ( -2.880 0.000 0.000) 2.880 24.843 ( 18.067 -0.000 0.000) 18.067 25.176 ( 18.775 -0.000 0.000) 18.775 25.224 ( -13.251 0.000 0.000) 13.251 25.812 ( 7.534 -0.000 0.000) 7.534 25.837 ( -9.013 0.000 0.000) 9.013 28.007 ( -0.280 0.000 0.000) 0.280 28.017 ( -34.355 0.000 0.000) 34.355 28.352 ( -6.952 0.000 0.000) 6.952 29.243 ( 18.466 -0.000 0.000) 18.466 29.279 ( 17.542 -0.000 0.000) 17.542 29.548 ( -7.121 0.000 0.000) 7.121 29.601 ( -11.313 0.000 0.000) 11.313 30.508 ( -1.114 0.000 0.000) 1.114 30.702 ( -8.848 0.000 0.000) 8.848 30.825 ( 11.002 -0.000 0.000) 11.002 31.318 ( 1.107 -0.000 0.000) 1.107 33.476 ( -3.473 0.000 0.000) 3.473 33.528 ( -5.410 0.000 0.000) 5.410 34.211 ( 2.892 -0.000 0.000) 2.892 34.370 ( 3.316 -0.000 0.000) 3.316 35.088 ( -16.085 0.000 0.000) 16.085 35.166 ( -12.663 0.000 0.000) 12.663 35.645 ( -2.583 0.000 0.000) 2.583 35.654 ( -0.959 0.000 0.000) 0.959 37.917 ( 43.539 -0.000 0.000) 43.539 38.481 ( 27.762 -0.000 0.000) 27.762 40.756 ( -13.906 0.000 0.000) 13.906 40.949 ( -18.508 0.000 0.000) 18.508 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 10.506 -1.882 0.000) 10.673 1.254 ( 17.672 -2.542 0.000) 17.854 1.420 ( -0.751 0.667 0.000) 1.005 1.483 ( 3.582 -1.145 0.000) 3.760 1.584 ( -1.516 0.194 0.000) 1.529 1.762 ( 11.446 0.934 0.000) 11.484 1.886 ( 6.981 -0.721 0.000) 7.018 1.986 ( 8.490 -1.766 0.000) 8.671 1.995 ( 9.398 -0.407 0.000) 9.407 2.068 ( 11.801 -1.095 0.000) 11.852 2.111 ( 0.819 0.140 0.000) 0.831 2.133 ( 0.428 -0.890 0.000) 0.988 2.246 ( -5.460 2.452 0.000) 5.985 2.258 ( 1.474 1.131 0.000) 1.857 2.284 ( -2.994 -0.566 0.000) 3.047 2.318 ( -4.498 -0.908 0.000) 4.589 2.383 ( 1.190 0.545 0.000) 1.309 2.384 ( 5.477 2.225 0.000) 5.912 2.456 ( 1.381 1.855 0.000) 2.313 2.484 ( 4.159 -0.885 0.000) 4.253 2.514 ( -4.506 -1.083 0.000) 4.634 2.528 ( -2.611 -2.150 0.000) 3.382 2.541 ( -5.730 -1.279 0.000) 5.871 2.709 ( 5.491 -1.652 0.000) 5.734 3.591 ( 6.451 -0.746 0.000) 6.494 4.125 ( -7.867 -0.086 0.000) 7.867 5.107 ( 12.195 0.981 0.000) 12.234 5.128 ( 7.830 -0.398 0.000) 7.840 5.236 ( -1.124 0.205 0.000) 1.142 5.291 ( -1.721 -0.257 0.000) 1.740 5.370 ( -2.702 0.092 0.000) 2.704 5.662 ( -6.546 0.088 0.000) 6.547 5.671 ( 12.320 0.427 0.000) 12.327 5.757 ( 0.810 0.104 0.000) 0.817 5.858 ( -2.007 0.700 0.000) 2.126 5.909 ( 9.279 0.950 0.000) 9.327 6.531 ( -13.591 2.163 0.000) 13.762 6.570 ( -13.441 -2.518 0.000) 13.675 7.472 ( 1.889 0.501 0.000) 1.954 7.678 ( -5.744 0.249 0.000) 5.749 11.301 ( -2.253 -0.528 0.000) 2.314 11.418 ( -2.035 4.424 0.000) 4.869 11.589 ( 1.115 -1.150 0.000) 1.602 11.648 ( -0.078 -4.905 0.000) 4.906 11.907 ( -5.106 -0.538 0.000) 5.135 12.662 ( -19.843 5.837 0.000) 20.684 13.259 ( 18.774 -2.525 0.000) 18.943 13.630 ( 18.858 -0.563 0.000) 18.866 14.425 ( 21.715 2.535 0.000) 21.863 14.562 ( 42.874 1.414 0.000) 42.898 15.460 ( 21.564 1.110 0.000) 21.593 15.833 ( -18.629 5.432 0.000) 19.405 16.122 ( 0.067 0.054 0.000) 0.086 16.532 ( -25.148 0.541 0.000) 25.154 16.558 ( 12.366 -1.356 0.000) 12.440 17.647 ( -19.407 -0.319 0.000) 19.410 17.782 ( 6.637 -2.344 0.000) 7.039 18.004 ( 14.184 -1.174 0.000) 14.232 18.123 ( 10.854 7.802 0.000) 13.367 18.560 ( 14.331 -0.984 0.000) 14.365 18.828 ( -15.568 -1.412 0.000) 15.632 18.944 ( -0.021 -3.767 0.000) 3.767 20.095 ( 14.316 -2.704 0.000) 14.569 20.223 ( 3.867 -2.760 0.000) 4.751 20.621 ( 0.340 12.641 0.000) 12.645 20.816 ( 4.875 -4.183 0.000) 6.424 22.007 ( 13.904 -3.643 0.000) 14.373 22.123 ( -5.373 -0.378 0.000) 5.386 22.814 ( 11.215 -5.746 0.000) 12.602 23.138 ( 3.578 -3.304 0.000) 4.870 23.814 ( -0.518 13.794 0.000) 13.804 24.065 ( -6.834 -9.789 0.000) 11.939 24.622 ( 14.415 -1.241 0.000) 14.468 24.776 ( -0.464 6.216 0.000) 6.233 24.934 ( -17.135 0.874 0.000) 17.157 25.204 ( 19.138 0.130 0.000) 19.139 25.517 ( 11.662 9.667 0.000) 15.148 25.705 ( 0.849 -9.205 0.000) 9.245 25.923 ( 6.236 5.394 0.000) 8.245 27.302 ( -34.512 9.485 0.000) 35.792 28.029 ( 2.232 -1.608 0.000) 2.751 28.256 ( -9.762 -10.208 0.000) 14.124 29.410 ( -5.241 1.657 0.000) 5.497 29.439 ( -5.513 0.729 0.000) 5.561 29.633 ( 21.794 -0.493 0.000) 21.800 29.652 ( 16.809 -6.277 0.000) 17.943 30.477 ( -1.466 1.260 0.000) 1.933 30.545 ( -7.207 0.838 0.000) 7.255 30.968 ( 4.225 -0.373 0.000) 4.241 31.303 ( -1.961 2.378 0.000) 3.083 33.401 ( -4.099 0.525 0.000) 4.132 33.417 ( -5.988 0.306 0.000) 5.996 34.288 ( 4.970 -0.845 0.000) 5.041 34.450 ( 5.246 -0.197 0.000) 5.250 34.814 ( -11.948 2.200 0.000) 12.149 34.943 ( -13.264 -3.635 0.000) 13.753 35.617 ( -0.687 -0.150 0.000) 0.703 35.637 ( -0.905 -0.293 0.000) 0.951 38.703 ( 39.883 -0.609 0.000) 39.888 39.025 ( 30.459 0.883 0.000) 30.472 40.436 ( -20.452 0.103 0.000) 20.453 40.555 ( -23.478 0.078 0.000) 23.478 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 4.689 -1.464 0.000) 4.912 1.394 ( -1.256 1.111 0.000) 1.677 1.472 ( 4.355 -1.007 0.000) 4.470 1.552 ( -1.687 0.366 0.000) 1.727 1.664 ( 13.328 -3.455 0.000) 13.769 1.957 ( 9.510 1.029 0.000) 9.566 2.012 ( 4.805 -1.287 0.000) 4.974 2.061 ( -6.471 2.357 0.000) 6.887 2.077 ( -5.038 0.267 0.000) 5.045 2.102 ( 3.050 0.738 0.000) 3.138 2.103 ( -1.935 -0.302 0.000) 1.958 2.177 ( 6.217 -0.346 0.000) 6.227 2.177 ( 0.739 0.926 0.000) 1.185 2.217 ( -1.110 0.583 0.000) 1.254 2.222 ( -2.981 -0.178 0.000) 2.986 2.232 ( -4.360 -0.677 0.000) 4.413 2.371 ( -0.701 3.468 0.000) 3.538 2.384 ( -6.850 1.042 0.000) 6.929 2.441 ( -2.925 -2.655 0.000) 3.950 2.476 ( 2.778 1.153 0.000) 3.008 2.550 ( 1.232 -2.296 0.000) 2.606 2.565 ( 3.613 0.125 0.000) 3.615 2.684 ( 12.547 -2.478 0.000) 12.789 2.800 ( 1.990 -1.647 0.000) 2.583 3.746 ( 8.934 -1.595 0.000) 9.076 3.956 ( -10.163 -0.487 0.000) 10.175 5.210 ( 3.354 0.975 0.000) 3.493 5.217 ( -0.746 0.095 0.000) 0.752 5.268 ( -0.150 -0.487 0.000) 0.510 5.313 ( -3.611 -0.230 0.000) 3.618 5.349 ( 11.158 0.002 0.000) 11.158 5.529 ( -7.700 0.234 0.000) 7.704 5.768 ( 0.514 0.067 0.000) 0.519 5.804 ( -1.548 0.769 0.000) 1.729 5.934 ( 14.377 0.291 0.000) 14.380 6.123 ( 14.261 1.450 0.000) 14.335 6.235 ( -16.085 1.621 0.000) 16.166 6.316 ( -16.002 -2.914 0.000) 16.266 7.508 ( 2.817 0.816 0.000) 2.933 7.577 ( -4.466 0.769 0.000) 4.532 11.261 ( -2.987 -1.920 0.000) 3.551 11.360 ( -1.002 3.116 0.000) 3.273 11.688 ( 7.114 -4.702 0.000) 8.528 11.712 ( 3.448 -3.007 0.000) 4.575 11.836 ( -2.507 0.401 0.000) 2.539 12.261 ( -16.492 8.286 0.000) 18.456 13.603 ( 13.990 -4.545 0.000) 14.709 13.827 ( 1.352 -1.091 0.000) 1.737 14.782 ( 17.986 2.667 0.000) 18.183 15.189 ( 7.389 8.456 0.000) 11.230 15.456 ( 6.772 1.085 0.000) 6.858 15.880 ( 15.549 -3.185 0.000) 15.872 15.983 ( -23.803 2.232 0.000) 23.907 16.094 ( -14.485 -4.182 0.000) 15.077 16.848 ( 18.638 -0.758 0.000) 18.653 17.241 ( -23.551 -0.619 0.000) 23.559 17.895 ( 2.810 -3.011 0.000) 4.119 18.187 ( 4.687 10.636 0.000) 11.623 18.290 ( 15.179 -0.862 0.000) 15.203 18.561 ( -12.237 0.087 0.000) 12.237 18.808 ( 8.595 -3.534 0.000) 9.293 18.942 ( -4.242 -4.759 0.000) 6.375 20.170 ( 2.568 3.854 0.000) 4.632 20.495 ( -2.183 13.733 0.000) 13.905 20.515 ( 12.366 -10.089 0.000) 15.959 20.877 ( -0.459 0.504 0.000) 0.682 22.105 ( 1.119 -3.439 0.000) 3.616 22.282 ( 13.034 5.773 0.000) 14.255 23.003 ( 2.552 -16.529 0.000) 16.725 23.279 ( 6.533 -9.999 0.000) 11.944 23.645 ( -5.521 13.068 0.000) 14.186 23.957 ( -10.062 -2.564 0.000) 10.384 24.599 ( -18.069 -1.431 0.000) 18.126 24.736 ( 2.403 8.009 0.000) 8.362 24.910 ( 14.368 -1.689 0.000) 14.467 25.278 ( -10.661 4.307 0.000) 11.498 25.645 ( 18.734 4.607 0.000) 19.292 25.917 ( -3.276 6.668 0.000) 7.429 26.022 ( 14.791 -8.155 0.000) 16.890 26.644 ( -29.217 4.420 0.000) 29.549 28.133 ( 8.942 0.183 0.000) 8.944 28.159 ( -6.867 -6.142 0.000) 9.213 29.328 ( -2.514 -0.174 0.000) 2.520 29.370 ( -1.285 1.182 0.000) 1.746 29.942 ( 6.566 -5.446 0.000) 8.530 30.003 ( 15.046 0.385 0.000) 15.050 30.440 ( -2.422 0.726 0.000) 2.528 30.450 ( 1.442 2.735 0.000) 3.092 31.004 ( -0.847 -2.757 0.000) 2.885 31.208 ( -5.538 3.150 0.000) 6.371 33.320 ( -3.678 -0.013 0.000) 3.678 33.330 ( -2.441 0.656 0.000) 2.528 34.410 ( 7.535 -0.688 0.000) 7.566 34.574 ( 8.129 -0.394 0.000) 8.139 34.605 ( -8.890 1.808 0.000) 9.073 34.739 ( -10.746 -1.906 0.000) 10.914 35.617 ( 0.493 -0.117 0.000) 0.506 35.626 ( -0.540 -0.201 0.000) 0.576 39.397 ( 34.009 -0.586 0.000) 34.014 39.580 ( 29.295 0.498 0.000) 29.299 39.993 ( -26.865 0.569 0.000) 26.871 40.083 ( -27.246 -0.463 0.000) 27.250 ======================= Grid point 13 (9/75) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -2.252 2.069 0.000) 3.058 1.354 ( 2.061 -1.054 0.000) 2.315 1.513 ( -2.111 1.111 0.000) 2.385 1.531 ( 1.916 -0.811 0.000) 2.080 1.839 ( -10.912 6.115 0.000) 12.509 1.919 ( 0.381 -1.738 0.000) 1.780 1.929 ( -0.069 -2.279 0.000) 2.280 2.055 ( -1.481 -0.958 0.000) 1.764 2.080 ( 3.144 -0.730 0.000) 3.227 2.098 ( -3.543 2.331 0.000) 4.241 2.125 ( 1.876 -1.466 0.000) 2.381 2.145 ( -1.038 1.315 0.000) 1.675 2.163 ( -2.510 -1.591 0.000) 2.972 2.191 ( -2.281 -1.004 0.000) 2.493 2.216 ( 0.006 1.027 0.000) 1.027 2.287 ( -1.086 -0.274 0.000) 1.120 2.324 ( 7.484 1.018 0.000) 7.553 2.356 ( 2.764 1.845 0.000) 3.323 2.420 ( -1.522 -3.040 0.000) 3.400 2.516 ( 1.607 1.503 0.000) 2.200 2.573 ( 0.166 0.120 0.000) 0.205 2.602 ( 0.886 0.928 0.000) 1.283 2.775 ( -4.873 2.493 0.000) 5.474 2.846 ( 3.538 0.762 0.000) 3.619 3.770 ( -9.895 -0.750 0.000) 9.923 3.931 ( 8.845 -2.211 0.000) 9.117 5.194 ( -3.198 0.238 0.000) 3.207 5.221 ( -0.013 0.650 0.000) 0.650 5.248 ( -3.054 -1.474 0.000) 3.391 5.308 ( 2.666 -0.831 0.000) 2.792 5.369 ( -8.554 0.976 0.000) 8.610 5.531 ( 8.659 0.486 0.000) 8.672 5.767 ( -1.734 0.049 0.000) 1.734 5.774 ( -0.558 -0.700 0.000) 0.895 5.931 ( -14.675 0.367 0.000) 14.680 6.041 ( -15.351 -3.219 0.000) 15.685 6.213 ( 15.214 0.038 0.000) 15.214 6.392 ( 15.160 1.489 0.000) 15.233 7.504 ( -2.703 0.871 0.000) 2.840 7.572 ( 4.787 0.705 0.000) 4.838 11.227 ( -2.922 -3.819 0.000) 4.809 11.330 ( -0.374 1.330 0.000) 1.382 11.807 ( 0.257 2.301 0.000) 2.315 11.820 ( 6.585 -0.372 0.000) 6.596 11.926 ( 12.438 -8.945 0.000) 15.320 11.939 ( -10.397 8.237 0.000) 13.264 13.716 ( -12.803 0.244 0.000) 12.805 13.794 ( 1.138 -3.689 0.000) 3.861 14.779 ( -25.992 4.248 0.000) 26.337 14.965 ( -6.020 -2.530 0.000) 6.530 15.476 ( -17.904 1.549 0.000) 17.971 15.834 ( -20.754 -5.303 0.000) 21.420 15.932 ( 23.541 -0.678 0.000) 23.551 16.109 ( 7.791 -4.294 0.000) 8.896 16.832 ( -20.106 -1.698 0.000) 20.177 17.258 ( 23.895 0.228 0.000) 23.896 17.928 ( -1.801 -2.770 0.000) 3.304 18.139 ( -0.456 10.679 0.000) 10.689 18.346 ( -10.169 2.156 0.000) 10.396 18.581 ( 15.574 1.366 0.000) 15.633 18.850 ( -8.582 -3.127 0.000) 9.134 18.950 ( 3.214 -4.229 0.000) 5.312 20.195 ( 1.972 0.444 0.000) 2.021 20.339 ( -3.482 11.076 0.000) 11.611 20.745 ( 4.329 -7.567 0.000) 8.718 20.774 ( -7.848 5.998 0.000) 9.878 22.175 ( 2.932 -1.177 0.000) 3.159 22.319 ( -0.925 10.827 0.000) 10.867 23.219 ( 5.898 -14.581 0.000) 15.729 23.410 ( -10.241 10.083 0.000) 14.372 23.576 ( 12.869 -20.372 0.000) 24.097 23.732 ( -11.442 7.433 0.000) 13.645 24.333 ( -14.448 -11.186 0.000) 18.272 24.743 ( 4.001 5.027 0.000) 6.425 25.004 ( -13.952 3.899 0.000) 14.487 25.165 ( 10.589 -1.929 0.000) 10.763 25.672 ( -15.856 6.586 0.000) 17.169 25.861 ( 5.288 5.282 0.000) 7.475 26.159 ( -22.066 -0.975 0.000) 22.088 26.376 ( 17.435 -11.435 0.000) 20.850 28.120 ( -0.227 -0.625 0.000) 0.665 28.368 ( 17.927 4.846 0.000) 18.570 29.326 ( 1.767 -1.027 0.000) 2.044 29.365 ( 1.904 1.887 0.000) 2.680 29.917 ( -12.244 -4.087 0.000) 12.908 30.086 ( -5.005 0.545 0.000) 5.034 30.453 ( 3.467 2.880 0.000) 4.507 30.515 ( 7.551 7.391 0.000) 10.566 31.028 ( 0.316 -7.644 0.000) 7.651 31.070 ( -6.914 0.677 0.000) 6.947 33.298 ( 0.907 -1.072 0.000) 1.404 33.318 ( 1.672 -0.148 0.000) 1.678 34.452 ( -6.107 1.746 0.000) 6.351 34.577 ( -7.673 -0.510 0.000) 7.690 34.581 ( 10.706 0.351 0.000) 10.711 34.767 ( 12.455 -0.289 0.000) 12.458 35.621 ( 0.048 0.082 0.000) 0.095 35.634 ( 1.301 0.247 0.000) 1.324 39.428 ( -33.028 1.180 0.000) 33.049 39.550 ( -30.808 -1.236 0.000) 30.833 39.976 ( 27.739 -0.347 0.000) 27.741 40.094 ( 26.050 0.106 0.000) 26.050 ======================= Grid point 14 (10/75) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -4.981 4.621 0.000) 6.795 1.388 ( 0.886 -0.946 0.000) 1.296 1.432 ( -5.955 5.269 0.000) 7.951 1.564 ( 0.892 -0.947 0.000) 1.301 1.581 ( -9.456 6.144 0.000) 11.277 1.730 ( -10.262 -0.216 0.000) 10.264 1.961 ( -6.953 3.633 0.000) 7.844 2.002 ( -3.943 0.598 0.000) 3.988 2.075 ( -1.806 0.659 0.000) 1.923 2.104 ( -2.745 0.265 0.000) 2.758 2.104 ( 0.003 0.942 0.000) 0.942 2.118 ( -1.128 -3.862 0.000) 4.023 2.147 ( 1.242 -1.757 0.000) 2.152 2.201 ( 2.749 -3.274 0.000) 4.275 2.249 ( 1.464 -2.755 0.000) 3.119 2.329 ( 3.566 -1.359 0.000) 3.816 2.398 ( 4.710 2.489 0.000) 5.328 2.404 ( -10.082 5.685 0.000) 11.575 2.423 ( -0.304 -0.868 0.000) 0.920 2.491 ( 5.045 -0.539 0.000) 5.074 2.551 ( -3.045 3.085 0.000) 4.335 2.593 ( -0.259 1.274 0.000) 1.300 2.646 ( -0.787 3.545 0.000) 3.632 2.815 ( -4.168 3.621 0.000) 5.521 3.613 ( -7.283 -0.554 0.000) 7.304 4.097 ( 6.679 -2.621 0.000) 7.175 5.071 ( -9.652 -0.799 0.000) 9.685 5.125 ( -11.616 -0.572 0.000) 11.630 5.222 ( 0.181 -0.427 0.000) 0.464 5.304 ( 2.009 0.428 0.000) 2.054 5.360 ( 2.262 -0.588 0.000) 2.337 5.642 ( -12.054 -1.026 0.000) 12.097 5.665 ( 6.045 0.565 0.000) 6.072 5.745 ( -0.605 -0.617 0.000) 0.864 5.810 ( -3.538 -1.877 0.000) 4.006 5.835 ( -6.061 -2.914 0.000) 6.725 6.487 ( 13.691 -0.537 0.000) 13.701 6.641 ( 12.572 1.589 0.000) 12.672 7.459 ( -1.710 0.462 0.000) 1.771 7.674 ( 6.432 0.388 0.000) 6.443 11.221 ( -1.711 -5.747 0.000) 5.996 11.323 ( 0.147 0.070 0.000) 0.163 11.727 ( -3.867 6.105 0.000) 7.227 11.832 ( 3.074 4.592 0.000) 5.526 11.953 ( 8.141 2.070 0.000) 8.401 12.281 ( 15.622 -13.345 0.000) 20.546 13.390 ( -19.453 2.781 0.000) 19.651 13.650 ( -18.579 -0.240 0.000) 18.581 14.277 ( -26.787 -3.588 0.000) 27.026 14.447 ( -41.807 -4.649 0.000) 42.065 15.402 ( -16.573 -1.848 0.000) 16.675 15.515 ( -1.763 -9.865 0.000) 10.021 16.078 ( -3.117 -3.132 0.000) 4.419 16.451 ( 20.159 -4.308 0.000) 20.614 16.529 ( -15.527 -3.929 0.000) 16.017 17.676 ( 20.224 1.072 0.000) 20.252 17.872 ( -5.743 -0.945 0.000) 5.820 18.009 ( -4.196 10.570 0.000) 11.373 18.133 ( -9.951 4.980 0.000) 11.127 18.599 ( -13.074 0.124 0.000) 13.075 18.919 ( 16.366 2.783 0.000) 16.601 18.998 ( -1.170 -3.156 0.000) 3.366 20.209 ( -3.857 3.609 0.000) 5.282 20.232 ( -0.036 -4.758 0.000) 4.758 20.513 ( -10.770 12.790 0.000) 16.720 20.804 ( -2.282 -3.969 0.000) 4.578 22.151 ( -10.388 1.616 0.000) 10.513 22.184 ( -0.595 6.141 0.000) 6.170 23.075 ( -19.924 4.786 0.000) 20.491 23.416 ( 5.301 -8.408 0.000) 9.940 23.453 ( -8.584 12.936 0.000) 15.525 24.024 ( 17.183 -15.938 0.000) 23.436 24.276 ( -4.736 -19.602 0.000) 20.166 24.710 ( -13.063 3.292 0.000) 13.472 24.823 ( 4.810 -3.148 0.000) 5.748 25.199 ( -13.894 -0.025 0.000) 13.894 25.374 ( -8.297 1.580 0.000) 8.447 25.782 ( -7.835 2.391 0.000) 8.191 25.853 ( -8.560 -0.873 0.000) 8.604 26.867 ( 23.985 -13.078 0.000) 27.319 28.142 ( 3.433 4.127 0.000) 5.368 28.683 ( 21.119 10.742 0.000) 23.693 29.402 ( 4.625 -0.939 0.000) 4.720 29.402 ( 3.275 1.845 0.000) 3.759 29.628 ( -18.692 -1.551 0.000) 18.756 29.907 ( -10.183 3.218 0.000) 10.679 30.468 ( 0.570 2.857 0.000) 2.914 30.543 ( 0.549 3.571 0.000) 3.613 30.947 ( -7.597 -2.682 0.000) 8.056 31.131 ( 3.205 -6.975 0.000) 7.676 33.361 ( 4.155 -1.585 0.000) 4.447 33.395 ( 5.798 -0.887 0.000) 5.865 34.346 ( -3.759 2.163 0.000) 4.337 34.461 ( -4.897 0.291 0.000) 4.906 34.804 ( 14.260 2.010 0.000) 14.401 35.046 ( 17.982 1.183 0.000) 18.021 35.627 ( 0.837 0.359 0.000) 0.910 35.658 ( 1.656 0.799 0.000) 1.838 38.748 ( -38.674 1.804 0.000) 38.716 38.961 ( -33.809 -2.513 0.000) 33.902 40.432 ( 21.134 0.029 0.000) 21.134 40.544 ( 22.045 -0.606 0.000) 22.053 ======================= Grid point 15 (11/75) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -10.538 9.809 0.000) 14.397 1.146 ( -13.866 14.246 0.000) 19.880 1.406 ( 0.275 -1.001 0.000) 1.038 1.456 ( -3.422 0.606 0.000) 3.475 1.552 ( -5.959 0.100 0.000) 5.960 1.594 ( -1.134 -0.682 0.000) 1.323 1.801 ( -6.552 3.461 0.000) 7.410 1.861 ( -18.366 14.020 0.000) 23.106 1.927 ( -6.344 3.640 0.000) 7.314 1.957 ( -5.008 5.948 0.000) 7.775 2.096 ( -0.556 0.549 0.000) 0.781 2.105 ( -9.200 -0.924 0.000) 9.246 2.138 ( -0.635 -1.925 0.000) 2.027 2.225 ( 2.364 -4.037 0.000) 4.678 2.284 ( -0.006 -1.343 0.000) 1.343 2.292 ( 3.800 -2.384 0.000) 4.486 2.395 ( 1.092 -1.247 0.000) 1.658 2.423 ( 0.528 -0.373 0.000) 0.646 2.447 ( -3.829 3.083 0.000) 4.916 2.461 ( 2.936 0.437 0.000) 2.969 2.602 ( 2.196 -0.186 0.000) 2.203 2.606 ( 4.779 -0.972 0.000) 4.877 2.671 ( 3.466 0.901 0.000) 3.581 2.675 ( -6.425 4.116 0.000) 7.630 3.512 ( -3.916 -0.147 0.000) 3.918 4.222 ( 4.865 -2.377 0.000) 5.414 4.856 ( -12.358 -0.011 0.000) 12.358 4.925 ( -11.128 -2.880 0.000) 11.495 5.233 ( 0.283 -1.204 0.000) 1.237 5.338 ( 0.904 0.123 0.000) 0.912 5.405 ( 2.125 -0.792 0.000) 2.268 5.466 ( -6.906 -0.619 0.000) 6.933 5.710 ( -0.692 -0.811 0.000) 1.066 5.736 ( -2.424 -2.527 0.000) 3.502 5.789 ( 4.459 0.387 0.000) 4.476 5.849 ( 0.584 -2.882 0.000) 2.940 6.720 ( 10.507 -0.762 0.000) 10.535 6.826 ( 8.538 1.506 0.000) 8.670 7.424 ( -2.018 0.007 0.000) 2.018 7.794 ( 6.391 0.433 0.000) 6.406 11.261 ( 0.359 -7.834 0.000) 7.842 11.331 ( 0.458 -0.593 0.000) 0.749 11.673 ( 2.480 3.898 0.000) 4.620 11.871 ( 5.474 6.186 0.000) 8.260 12.082 ( 8.005 3.645 0.000) 8.796 12.669 ( 9.490 -14.892 0.000) 17.659 13.026 ( -12.725 2.157 0.000) 12.906 13.162 ( -30.894 0.289 0.000) 30.895 13.682 ( -42.265 -4.592 0.000) 42.513 13.865 ( -22.332 -9.493 0.000) 24.266 15.037 ( -19.488 -3.130 0.000) 19.738 15.649 ( -2.178 -18.040 0.000) 18.171 16.001 ( -7.101 -3.975 0.000) 8.138 16.293 ( -14.619 -6.554 0.000) 16.021 16.844 ( 17.261 -7.172 0.000) 18.691 17.737 ( -7.363 3.108 0.000) 7.992 17.813 ( -5.777 10.283 0.000) 11.795 17.898 ( -9.977 6.829 0.000) 12.090 17.961 ( 7.589 0.904 0.000) 7.643 18.343 ( -9.983 2.793 0.000) 10.367 18.950 ( -5.611 -0.352 0.000) 5.622 19.212 ( 17.507 4.067 0.000) 17.974 20.110 ( -7.858 -1.960 0.000) 8.099 20.260 ( -3.062 -9.072 0.000) 9.575 20.279 ( 1.806 15.836 0.000) 15.938 20.751 ( -4.691 -0.948 0.000) 4.786 21.929 ( -19.037 -13.829 0.000) 23.529 22.047 ( -7.729 8.908 0.000) 11.794 22.609 ( -23.926 5.924 0.000) 24.648 23.238 ( -4.304 10.509 0.000) 11.356 23.546 ( 3.133 -4.453 0.000) 5.445 24.378 ( 11.859 -1.093 0.000) 11.910 24.433 ( 2.970 -19.944 0.000) 20.164 24.456 ( -9.520 5.159 0.000) 10.828 24.874 ( -16.768 0.405 0.000) 16.773 25.024 ( 8.639 -16.043 0.000) 18.221 25.141 ( -15.076 -0.512 0.000) 15.085 25.618 ( -6.880 0.446 0.000) 6.895 25.871 ( 6.125 0.477 0.000) 6.144 27.447 ( 25.607 -14.860 0.000) 29.606 28.161 ( 3.300 7.517 0.000) 8.209 28.914 ( 11.864 13.852 0.000) 18.238 29.228 ( -18.529 -0.483 0.000) 18.535 29.435 ( 2.499 2.688 0.000) 3.670 29.592 ( 9.781 -1.283 0.000) 9.865 29.755 ( 0.802 7.984 0.000) 8.024 30.442 ( -2.368 -0.728 0.000) 2.477 30.507 ( -5.407 -7.069 0.000) 8.899 30.812 ( -9.273 -2.355 0.000) 9.567 31.227 ( 2.660 -3.053 0.000) 4.049 33.454 ( 4.092 -1.201 0.000) 4.265 33.531 ( 7.907 -0.294 0.000) 7.912 34.272 ( -2.148 2.929 0.000) 3.632 34.388 ( -2.638 0.838 0.000) 2.768 35.074 ( 17.267 4.353 0.000) 17.807 35.416 ( 24.403 5.067 0.000) 24.924 35.650 ( 2.137 0.616 0.000) 2.224 35.680 ( 1.460 1.323 0.000) 1.970 37.970 ( -42.619 2.538 0.000) 42.695 38.342 ( -35.806 -5.554 0.000) 36.234 40.760 ( 14.197 0.341 0.000) 14.202 40.921 ( 17.229 -1.655 0.000) 17.308 ======================= Grid point 16 (12/75) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -12.665 16.836 0.000) 21.067 0.743 ( -15.068 18.106 0.000) 23.556 1.195 ( -23.161 24.855 0.000) 33.973 1.420 ( 0.477 -1.664 0.000) 1.731 1.440 ( -3.882 2.707 0.000) 4.733 1.467 ( -1.556 2.544 0.000) 2.983 1.593 ( -0.827 0.908 0.000) 1.228 1.668 ( -4.892 1.208 0.000) 5.039 1.832 ( -2.311 6.275 0.000) 6.687 1.834 ( -3.365 2.156 0.000) 3.997 1.939 ( -7.873 2.966 0.000) 8.413 2.081 ( -0.349 1.132 0.000) 1.185 2.155 ( -0.520 -3.535 0.000) 3.573 2.249 ( -1.449 1.302 0.000) 1.948 2.309 ( 2.355 -2.783 0.000) 3.645 2.338 ( -0.129 1.375 0.000) 1.381 2.409 ( -0.126 -2.174 0.000) 2.178 2.413 ( 1.508 -1.045 0.000) 1.834 2.434 ( -1.219 -1.619 0.000) 2.027 2.496 ( 0.575 -1.348 0.000) 1.465 2.543 ( -3.355 3.346 0.000) 4.738 2.665 ( 2.714 -1.337 0.000) 3.026 2.683 ( 3.037 -0.499 0.000) 3.077 2.734 ( 2.789 -0.368 0.000) 2.813 3.464 ( -1.417 0.154 0.000) 1.425 4.330 ( 6.280 -0.373 0.000) 6.291 4.662 ( -7.608 0.052 0.000) 7.608 4.757 ( -10.276 -4.933 0.000) 11.399 5.249 ( 0.200 -1.420 0.000) 1.434 5.322 ( -2.649 -2.098 0.000) 3.379 5.412 ( 1.263 1.845 0.000) 2.236 5.454 ( 2.106 -1.380 0.000) 2.518 5.693 ( -1.519 -0.504 0.000) 1.601 5.742 ( 0.326 -1.423 0.000) 1.460 5.858 ( 2.874 0.236 0.000) 2.884 5.884 ( 0.290 -3.643 0.000) 3.655 6.874 ( 5.229 -0.033 0.000) 5.230 6.944 ( 5.306 0.548 0.000) 5.334 7.382 ( -2.439 -0.149 0.000) 2.444 7.889 ( 4.063 1.021 0.000) 4.189 11.346 ( 0.414 -0.755 0.000) 0.862 11.358 ( 2.049 -10.130 0.000) 10.335 11.742 ( 6.983 3.138 0.000) 7.656 11.936 ( 7.357 7.955 0.000) 10.835 12.195 ( 7.632 4.047 0.000) 8.638 12.584 ( -13.843 -0.621 0.000) 13.857 12.617 ( -25.506 -2.390 0.000) 25.618 13.009 ( -32.178 -4.371 0.000) 32.474 13.144 ( 8.459 -11.283 0.000) 14.102 13.632 ( -10.865 -12.660 0.000) 16.683 14.759 ( -12.373 -2.942 0.000) 12.718 15.631 ( -22.545 -26.638 0.000) 34.898 15.913 ( -5.302 -4.827 0.000) 7.170 16.097 ( -11.392 -7.712 0.000) 13.757 17.202 ( 12.677 -11.048 0.000) 16.815 17.576 ( -4.244 7.941 0.000) 9.004 17.623 ( -4.821 10.128 0.000) 11.216 17.676 ( -7.065 7.312 0.000) 10.168 17.921 ( -7.997 -1.065 0.000) 8.068 18.284 ( 4.255 5.865 0.000) 7.246 18.814 ( -7.211 1.418 0.000) 7.349 19.500 ( 16.162 3.459 0.000) 16.528 20.049 ( 7.361 6.143 0.000) 9.587 20.258 ( -5.831 -11.354 0.000) 12.764 20.296 ( 7.788 7.662 0.000) 10.925 20.669 ( -3.658 0.767 0.000) 3.737 21.597 ( -38.662 -29.163 0.000) 48.427 21.755 ( -18.707 -0.632 0.000) 18.718 22.186 ( -8.504 19.966 0.000) 21.702 23.121 ( -1.432 6.184 0.000) 6.348 23.607 ( 1.167 -1.253 0.000) 1.713 24.308 ( -0.359 5.567 0.000) 5.579 24.495 ( 2.268 1.968 0.000) 3.003 24.558 ( -7.087 -2.186 0.000) 7.417 24.701 ( 0.382 -13.064 0.000) 13.070 24.909 ( -9.288 -0.488 0.000) 9.301 25.361 ( 12.954 -14.127 0.000) 19.167 25.542 ( -1.403 0.366 0.000) 1.450 25.974 ( 4.508 0.745 0.000) 4.570 28.030 ( 24.378 -12.947 0.000) 27.603 28.142 ( 1.719 8.880 0.000) 9.045 28.877 ( -4.489 6.441 0.000) 7.851 28.950 ( -10.998 -1.524 0.000) 11.103 29.521 ( 13.168 10.168 0.000) 16.637 29.778 ( 8.132 12.501 0.000) 14.913 29.836 ( 14.632 -2.221 0.000) 14.800 30.370 ( -9.166 -5.482 0.000) 10.681 30.444 ( -14.286 -19.061 0.000) 23.820 30.658 ( -6.277 1.689 0.000) 6.500 31.287 ( 2.721 -0.045 0.000) 2.721 33.520 ( 2.159 -0.567 0.000) 2.233 33.683 ( 8.746 1.219 0.000) 8.830 34.218 ( -1.053 3.232 0.000) 3.400 34.344 ( -1.161 1.444 0.000) 1.853 35.353 ( 15.911 6.730 0.000) 17.276 35.690 ( 0.806 1.540 0.000) 1.738 35.714 ( 6.883 1.943 0.000) 7.152 35.886 ( 34.971 12.562 0.000) 37.159 37.162 ( -39.781 2.388 0.000) 39.853 37.713 ( -40.900 -12.611 0.000) 42.800 40.956 ( 7.142 0.371 0.000) 7.152 41.197 ( 10.119 -2.379 0.000) 10.395 ======================= Grid point 17 (13/75) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -0.000 23.053 0.000) 23.053 0.408 ( -0.000 24.503 0.000) 24.503 0.646 ( -0.000 39.668 0.000) 39.668 1.375 ( -0.000 3.542 0.000) 3.542 1.441 ( 0.000 -0.891 0.000) 0.891 1.473 ( 0.000 -2.350 0.000) 2.350 1.534 ( -0.000 4.081 0.000) 4.081 1.650 ( 0.000 -3.089 0.000) 3.089 1.769 ( -0.000 2.210 0.000) 2.210 1.770 ( -0.000 4.993 0.000) 4.993 1.828 ( -0.000 4.186 0.000) 4.186 2.067 ( -0.000 1.191 0.000) 1.191 2.174 ( 0.000 -2.647 0.000) 2.647 2.218 ( -0.000 1.535 0.000) 1.535 2.321 ( -0.000 1.434 0.000) 1.434 2.374 ( 0.000 -2.390 0.000) 2.390 2.397 ( 0.000 -0.122 0.000) 0.122 2.433 ( 0.000 -2.835 0.000) 2.835 2.441 ( 0.000 -0.779 0.000) 0.779 2.499 ( -0.000 2.407 0.000) 2.407 2.513 ( 0.000 -1.958 0.000) 1.958 2.704 ( 0.000 -1.173 0.000) 1.173 2.723 ( 0.000 -0.614 0.000) 0.614 2.765 ( 0.000 -0.395 0.000) 0.395 3.450 ( -0.000 0.316 0.000) 0.316 4.498 ( 0.000 -4.159 0.000) 4.159 4.584 ( 0.000 -0.478 0.000) 0.478 4.607 ( -0.000 0.109 0.000) 0.109 5.261 ( 0.000 -1.122 0.000) 1.122 5.312 ( 0.000 -2.303 0.000) 2.303 5.452 ( 0.000 -0.356 0.000) 0.356 5.491 ( 0.000 -1.483 0.000) 1.483 5.675 ( 0.000 -0.035 0.000) 0.035 5.743 ( 0.000 -0.141 0.000) 0.141 5.885 ( -0.000 0.076 0.000) 0.076 5.913 ( 0.000 -2.873 0.000) 2.873 6.918 ( -0.000 0.339 0.000) 0.339 6.999 ( 0.000 -0.015 0.000) 0.015 7.355 ( 0.000 -0.224 0.000) 0.224 7.919 ( -0.000 1.267 0.000) 1.267 11.355 ( 0.000 -0.536 0.000) 0.536 11.471 ( 0.000 -10.925 0.000) 10.925 11.807 ( -0.000 3.583 0.000) 3.583 11.966 ( -0.000 9.574 0.000) 9.574 12.271 ( -0.000 5.272 0.000) 5.272 12.378 ( 0.000 -4.771 0.000) 4.771 12.418 ( 0.000 -2.329 0.000) 2.329 12.667 ( 0.000 -2.306 0.000) 2.306 13.282 ( 0.000 -6.974 0.000) 6.974 13.657 ( 0.000 -12.047 0.000) 12.047 14.650 ( 0.000 -3.008 0.000) 3.008 15.246 ( 0.000 -0.618 0.000) 0.618 15.900 ( 0.000 -4.730 0.000) 4.730 16.047 ( 0.000 -6.211 0.000) 6.211 17.433 ( 0.000 -12.220 0.000) 12.220 17.480 ( -0.000 7.767 0.000) 7.767 17.497 ( -0.000 8.745 0.000) 8.745 17.541 ( -0.000 6.758 0.000) 6.758 17.840 ( 0.000 -0.826 0.000) 0.826 18.285 ( -0.000 5.845 0.000) 5.845 18.723 ( -0.000 1.368 0.000) 1.368 19.669 ( -0.000 2.329 0.000) 2.329 20.252 ( 0.000 -8.713 0.000) 8.713 20.268 ( 0.000 -11.695 0.000) 11.695 20.625 ( -0.000 0.688 0.000) 0.688 20.664 ( 0.000 -0.209 0.000) 0.209 20.787 ( -0.000 2.030 0.000) 2.030 21.539 ( 0.000 -1.396 0.000) 1.396 21.953 ( -0.000 21.548 0.000) 21.548 23.073 ( -0.000 3.348 0.000) 3.348 23.622 ( 0.000 -0.450 0.000) 0.450 24.351 ( 0.000 -0.925 0.000) 0.925 24.467 ( -0.000 0.666 0.000) 0.666 24.482 ( 0.000 -0.101 0.000) 0.101 24.816 ( 0.000 -0.396 0.000) 0.396 24.835 ( 0.000 -10.694 0.000) 10.694 25.524 ( -0.000 2.097 0.000) 2.097 25.641 ( 0.000 -11.780 0.000) 11.780 26.013 ( -0.000 0.105 0.000) 0.105 28.090 ( -0.000 7.535 0.000) 7.535 28.431 ( 0.000 -7.159 0.000) 7.159 28.781 ( 0.000 -1.625 0.000) 1.625 28.860 ( 0.000 -1.660 0.000) 1.660 29.710 ( 0.000 -0.118 0.000) 0.118 30.023 ( -0.000 1.649 0.000) 1.649 30.079 ( 0.000 -2.568 0.000) 2.568 30.111 ( -0.000 1.538 0.000) 1.538 30.212 ( 0.000 -10.923 0.000) 10.923 30.581 ( -0.000 3.978 0.000) 3.978 31.323 ( -0.000 0.028 0.000) 0.028 33.543 ( 0.000 -0.179 0.000) 0.179 33.807 ( 0.000 -1.415 0.000) 1.415 34.184 ( -0.000 2.627 0.000) 2.627 34.321 ( -0.000 1.454 0.000) 1.454 35.473 ( -0.000 5.249 0.000) 5.249 35.686 ( -0.000 1.264 0.000) 1.264 35.822 ( -0.000 5.695 0.000) 5.695 36.639 ( -0.000 0.146 0.000) 0.146 36.681 ( 0.000 -0.043 0.000) 0.043 36.898 ( 0.000 -0.607 0.000) 0.607 41.020 ( -0.000 0.237 0.000) 0.237 41.313 ( 0.000 -2.059 0.000) 2.059 ======================= Grid point 20 (14/75) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 5.227 -0.000 0.000) 5.227 1.404 ( -1.171 0.000 0.000) 1.171 1.464 ( 4.796 -0.000 0.000) 4.796 1.555 ( -1.604 0.000 0.000) 1.604 1.636 ( 13.693 -0.000 0.000) 13.693 1.965 ( 8.728 -0.000 0.000) 8.728 2.001 ( 5.170 -0.000 0.000) 5.170 2.074 ( 0.161 -0.000 0.000) 0.161 2.080 ( -6.004 0.000 0.000) 6.004 2.108 ( 3.596 -0.000 0.000) 3.596 2.111 ( -8.174 0.000 0.000) 8.174 2.173 ( 6.507 -0.000 0.000) 6.507 2.187 ( 2.681 -0.000 0.000) 2.681 2.205 ( -4.592 0.000 0.000) 4.592 2.220 ( -3.362 0.000 0.000) 3.362 2.243 ( -1.150 0.000 0.000) 1.150 2.393 ( -7.048 0.000 0.000) 7.048 2.403 ( -0.683 0.000 0.000) 0.683 2.416 ( -4.478 0.000 0.000) 4.478 2.495 ( 1.747 -0.000 0.000) 1.747 2.520 ( 3.131 -0.000 0.000) 3.131 2.568 ( 3.667 -0.000 0.000) 3.667 2.661 ( 14.503 -0.000 0.000) 14.503 2.785 ( 3.056 -0.000 0.000) 3.056 3.731 ( 8.718 -0.000 0.000) 8.718 3.950 ( -10.442 0.000 0.000) 10.442 5.217 ( -0.782 0.000 0.000) 0.782 5.221 ( 4.229 -0.000 0.000) 4.229 5.261 ( -1.431 0.000 0.000) 1.431 5.311 ( -3.902 0.000 0.000) 3.902 5.350 ( 11.532 -0.000 0.000) 11.532 5.531 ( -7.515 0.000 0.000) 7.515 5.768 ( 0.357 -0.000 0.000) 0.357 5.811 ( -2.010 0.000 0.000) 2.010 5.937 ( 14.448 -0.000 0.000) 14.448 6.135 ( 13.995 -0.000 0.000) 13.995 6.263 ( -16.850 0.000 0.000) 16.850 6.277 ( -15.622 0.000 0.000) 15.622 7.516 ( 2.819 -0.000 0.000) 2.819 7.584 ( -4.311 0.000 0.000) 4.311 11.245 ( -3.427 0.000 0.000) 3.427 11.386 ( -2.680 0.000 0.000) 2.680 11.652 ( 6.348 -0.000 0.000) 6.348 11.684 ( 5.283 -0.000 0.000) 5.283 11.839 ( -1.915 0.000 0.000) 1.915 12.331 ( -17.406 0.000 0.000) 17.406 13.563 ( 14.046 -0.000 0.000) 14.046 13.816 ( 1.334 -0.000 0.000) 1.334 14.807 ( 17.035 -0.000 0.000) 17.035 15.263 ( 16.672 -0.000 0.000) 16.672 15.476 ( -6.015 0.000 0.000) 6.015 15.839 ( 15.880 -0.000 0.000) 15.880 16.019 ( -29.951 0.000 0.000) 29.951 16.038 ( -9.623 0.000 0.000) 9.623 16.840 ( 19.170 -0.000 0.000) 19.170 17.235 ( -23.686 0.000 0.000) 23.686 17.874 ( 3.661 -0.000 0.000) 3.661 18.283 ( 16.063 -0.000 0.000) 16.063 18.288 ( 3.805 -0.000 0.000) 3.805 18.563 ( -11.957 0.000 0.000) 11.957 18.776 ( 8.694 -0.000 0.000) 8.694 18.890 ( -3.967 0.000 0.000) 3.967 20.244 ( 2.533 -0.000 0.000) 2.533 20.395 ( 14.005 -0.000 0.000) 14.005 20.627 ( -4.795 0.000 0.000) 4.795 20.872 ( 2.066 -0.000 0.000) 2.066 22.077 ( 1.446 -0.000 0.000) 1.446 22.350 ( 23.048 -0.000 0.000) 23.048 22.831 ( -5.217 0.000 0.000) 5.217 23.203 ( 5.132 -0.000 0.000) 5.132 23.820 ( -7.476 0.000 0.000) 7.476 23.858 ( -8.425 0.000 0.000) 8.425 24.590 ( -19.719 0.000 0.000) 19.719 24.799 ( 0.358 -0.000 0.000) 0.358 24.896 ( 14.707 -0.000 0.000) 14.707 25.318 ( -10.625 0.000 0.000) 10.625 25.709 ( 19.664 -0.000 0.000) 19.664 25.929 ( 13.446 -0.000 0.000) 13.446 25.983 ( -3.040 0.000 0.000) 3.040 26.679 ( -33.923 0.000 0.000) 33.923 28.105 ( -3.246 0.000 0.000) 3.246 28.135 ( 10.409 -0.000 0.000) 10.409 29.328 ( -3.022 0.000 0.000) 3.022 29.380 ( -1.090 0.000 0.000) 1.090 29.895 ( 7.841 -0.000 0.000) 7.841 30.004 ( 14.828 -0.000 0.000) 14.828 30.447 ( -1.850 0.000 0.000) 1.850 30.479 ( 3.236 -0.000 0.000) 3.236 30.978 ( -2.629 0.000 0.000) 2.629 31.234 ( -6.474 0.000 0.000) 6.474 33.320 ( -4.079 0.000 0.000) 4.079 33.336 ( -2.740 0.000 0.000) 2.740 34.405 ( 8.024 -0.000 0.000) 8.024 34.571 ( 8.044 -0.000 0.000) 8.044 34.625 ( -9.209 0.000 0.000) 9.209 34.718 ( -9.763 0.000 0.000) 9.763 35.616 ( 0.608 -0.000 0.000) 0.608 35.624 ( -0.403 0.000 0.000) 0.403 39.392 ( 34.211 -0.000 0.000) 34.211 39.584 ( 29.005 -0.000 0.000) 29.005 39.998 ( -26.628 0.000 0.000) 26.628 40.079 ( -27.554 0.000 0.000) 27.554 ======================= Grid point 21 (15/75) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 2.362 -0.395 0.000) 2.394 1.376 ( -1.585 0.876 0.000) 1.812 1.520 ( 1.985 -0.398 0.000) 2.025 1.525 ( -1.505 0.418 0.000) 1.562 1.885 ( 11.198 -1.284 0.000) 11.271 1.918 ( -8.741 3.204 0.000) 9.310 1.921 ( -9.988 -0.021 0.000) 9.988 2.045 ( -2.045 -0.321 0.000) 2.070 2.062 ( 1.466 -1.193 0.000) 1.890 2.114 ( 3.054 -0.170 0.000) 3.058 2.128 ( -1.957 1.520 0.000) 2.478 2.141 ( -3.976 -0.889 0.000) 4.074 2.155 ( -2.038 -0.746 0.000) 2.170 2.168 ( -0.905 -0.544 0.000) 1.056 2.244 ( -3.402 1.424 0.000) 3.688 2.302 ( 0.444 2.225 0.000) 2.269 2.320 ( 7.510 -0.375 0.000) 7.519 2.363 ( -1.312 -3.738 0.000) 3.961 2.396 ( 1.738 1.720 0.000) 2.445 2.537 ( 2.178 1.078 0.000) 2.430 2.569 ( 1.328 -0.560 0.000) 1.441 2.612 ( 1.114 0.320 0.000) 1.160 2.804 ( -1.248 1.005 0.000) 1.602 2.853 ( 5.463 0.171 0.000) 5.466 3.755 ( -10.328 -0.728 0.000) 10.353 3.899 ( 8.247 -1.340 0.000) 8.355 5.204 ( -2.727 0.907 0.000) 2.874 5.224 ( -4.168 -1.376 0.000) 4.390 5.234 ( -0.846 0.690 0.000) 1.092 5.293 ( 3.063 -0.802 0.000) 3.166 5.381 ( -8.085 0.426 0.000) 8.096 5.538 ( 8.903 0.319 0.000) 8.909 5.767 ( -0.951 -0.161 0.000) 0.964 5.768 ( -2.258 0.018 0.000) 2.259 5.942 ( -15.739 0.824 0.000) 15.760 5.995 ( -15.139 -2.083 0.000) 15.282 6.215 ( 15.019 0.111 0.000) 15.019 6.407 ( 14.851 0.463 0.000) 14.858 7.518 ( -2.605 0.640 0.000) 2.683 7.583 ( 4.720 0.500 0.000) 4.747 11.183 ( -3.531 -1.490 0.000) 3.832 11.340 ( -1.872 0.152 0.000) 1.879 11.817 ( 8.457 -0.106 0.000) 8.457 11.828 ( 11.097 -3.132 0.000) 11.531 11.832 ( 1.269 0.827 0.000) 1.515 12.037 ( -12.169 3.467 0.000) 12.653 13.705 ( -12.477 -0.768 0.000) 12.500 13.740 ( 2.654 -2.169 0.000) 3.427 14.850 ( -30.039 3.194 0.000) 30.209 14.949 ( -9.548 -0.108 0.000) 9.548 15.498 ( -17.810 0.940 0.000) 17.835 15.759 ( -21.478 -3.026 0.000) 21.691 15.934 ( 25.223 0.751 0.000) 25.234 16.032 ( 4.925 -3.975 0.000) 6.329 16.810 ( -21.277 -0.833 0.000) 21.293 17.260 ( 24.494 0.035 0.000) 24.494 17.911 ( 0.415 -0.047 0.000) 0.417 18.280 ( -1.459 5.531 0.000) 5.721 18.373 ( -8.604 0.956 0.000) 8.657 18.602 ( 17.816 1.022 0.000) 17.846 18.787 ( -8.551 -3.310 0.000) 9.170 18.888 ( 2.631 -2.506 0.000) 3.633 20.259 ( 1.517 5.071 0.000) 5.294 20.477 ( -8.507 4.888 0.000) 9.811 20.621 ( 6.583 -6.360 0.000) 9.153 20.850 ( -3.694 2.934 0.000) 4.717 22.165 ( 6.931 -0.181 0.000) 6.933 22.536 ( -6.322 15.520 0.000) 16.758 22.934 ( 16.478 -19.485 0.000) 25.518 23.348 ( 8.679 -6.780 0.000) 11.013 23.553 ( -15.832 7.172 0.000) 17.381 23.739 ( -8.662 -4.251 0.000) 9.649 24.234 ( -18.004 -2.017 0.000) 18.116 24.796 ( 0.177 1.607 0.000) 1.617 25.056 ( -14.619 2.058 0.000) 14.763 25.145 ( 10.906 -0.571 0.000) 10.921 25.787 ( -15.206 5.882 0.000) 16.304 25.982 ( 3.764 8.859 0.000) 9.625 26.115 ( -26.291 -3.217 0.000) 26.487 26.191 ( 18.515 -10.807 0.000) 21.438 28.111 ( 3.184 -0.321 0.000) 3.200 28.420 ( 20.273 1.676 0.000) 20.342 29.315 ( 1.697 -0.306 0.000) 1.724 29.390 ( 2.310 0.953 0.000) 2.499 29.867 ( -10.465 -1.801 0.000) 10.619 30.078 ( -5.623 -0.671 0.000) 5.663 30.494 ( 5.267 1.629 0.000) 5.513 30.643 ( 12.819 6.911 0.000) 14.563 30.907 ( -4.929 -6.372 0.000) 8.056 31.074 ( -10.109 -0.050 0.000) 10.109 33.285 ( 0.413 -0.453 0.000) 0.612 33.316 ( 1.039 -0.076 0.000) 1.042 34.476 ( -6.272 1.022 0.000) 6.355 34.567 ( -6.960 -0.563 0.000) 6.983 34.588 ( 11.909 0.393 0.000) 11.916 34.760 ( 12.446 -0.378 0.000) 12.452 35.622 ( 0.206 0.022 0.000) 0.207 35.637 ( 1.571 0.094 0.000) 1.574 39.444 ( -32.669 0.640 0.000) 32.676 39.533 ( -31.369 -0.684 0.000) 31.376 39.972 ( 28.019 -0.098 0.000) 28.019 40.095 ( 25.685 -0.012 0.000) 25.685 ======================= Grid point 22 (16/75) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -2.557 2.918 0.000) 3.880 1.375 ( 0.960 -0.582 0.000) 1.123 1.485 ( -2.141 1.787 0.000) 2.789 1.551 ( 0.843 -0.613 0.000) 1.043 1.704 ( -9.512 8.315 0.000) 12.634 1.731 ( -9.851 0.145 0.000) 9.853 2.001 ( -3.103 -2.660 0.000) 4.087 2.023 ( -5.959 3.859 0.000) 7.100 2.052 ( 5.130 -1.608 0.000) 5.376 2.055 ( -3.861 -1.499 0.000) 4.142 2.104 ( -0.658 -0.721 0.000) 0.976 2.123 ( -1.645 -0.583 0.000) 1.746 2.148 ( -2.918 1.572 0.000) 3.315 2.153 ( 1.100 -2.388 0.000) 2.630 2.203 ( 0.774 -2.488 0.000) 2.605 2.321 ( 3.051 0.281 0.000) 3.064 2.402 ( 1.324 -1.637 0.000) 2.106 2.431 ( 2.861 1.523 0.000) 3.241 2.452 ( 4.579 0.245 0.000) 4.586 2.515 ( -2.484 3.351 0.000) 4.171 2.583 ( -0.210 0.320 0.000) 0.383 2.607 ( -0.906 0.514 0.000) 1.042 2.717 ( -4.014 4.987 0.000) 6.401 2.862 ( -3.033 2.130 0.000) 3.706 3.593 ( -7.764 -1.564 0.000) 7.920 4.047 ( 5.600 -3.133 0.000) 6.417 5.063 ( -9.823 -0.249 0.000) 9.826 5.115 ( -11.740 -0.616 0.000) 11.756 5.218 ( -0.503 -0.020 0.000) 0.503 5.311 ( 1.689 0.395 0.000) 1.735 5.350 ( 2.394 -0.608 0.000) 2.470 5.629 ( -12.380 -0.528 0.000) 12.391 5.677 ( 6.200 0.836 0.000) 6.256 5.734 ( -1.130 -0.687 0.000) 1.322 5.777 ( -8.775 -2.056 0.000) 9.013 5.800 ( -1.327 -1.245 0.000) 1.819 6.483 ( 13.571 -0.041 0.000) 13.571 6.660 ( 12.360 0.705 0.000) 12.380 7.473 ( -1.676 1.038 0.000) 1.971 7.683 ( 6.325 0.621 0.000) 6.355 11.147 ( -2.283 -3.332 0.000) 4.039 11.317 ( -0.889 -0.663 0.000) 1.109 11.819 ( -4.366 5.099 0.000) 6.713 11.883 ( 2.123 1.628 0.000) 2.675 11.984 ( 9.825 1.649 0.000) 9.963 12.107 ( 13.719 -7.916 0.000) 15.839 13.406 ( -19.019 -0.390 0.000) 19.023 13.637 ( -16.283 -1.111 0.000) 16.320 14.251 ( -31.549 0.043 0.000) 31.549 14.385 ( -42.391 -2.754 0.000) 42.480 15.340 ( -25.027 -5.399 0.000) 25.603 15.430 ( 1.714 -1.092 0.000) 2.032 16.024 ( -4.218 -3.159 0.000) 5.270 16.389 ( 19.409 -2.987 0.000) 19.637 16.470 ( -17.311 -2.949 0.000) 17.561 17.690 ( 20.514 0.594 0.000) 20.523 17.894 ( -1.166 2.540 0.000) 2.795 18.164 ( -4.739 8.022 0.000) 9.317 18.203 ( -8.287 3.392 0.000) 8.954 18.586 ( -12.810 -1.517 0.000) 12.899 18.928 ( -1.040 -4.553 0.000) 4.670 18.951 ( 18.391 1.276 0.000) 18.435 20.230 ( -0.837 3.203 0.000) 3.311 20.258 ( -11.320 2.232 0.000) 11.538 20.698 ( -6.366 9.323 0.000) 11.289 20.727 ( 0.160 -5.063 0.000) 5.065 22.188 ( -20.708 2.890 0.000) 20.909 22.282 ( 5.955 5.638 0.000) 8.200 23.107 ( -28.165 -0.423 0.000) 28.168 23.319 ( 11.530 -4.028 0.000) 12.214 23.605 ( -6.014 5.151 0.000) 7.919 23.733 ( 22.432 -17.148 0.000) 28.235 24.025 ( -7.611 -10.159 0.000) 12.694 24.756 ( -10.203 2.324 0.000) 10.464 24.798 ( -4.425 -0.539 0.000) 4.458 25.202 ( -10.006 0.271 0.000) 10.010 25.430 ( -14.481 4.647 0.000) 15.209 25.808 ( -7.446 -4.065 0.000) 8.484 25.851 ( -8.595 4.912 0.000) 9.900 26.688 ( 25.151 -8.828 0.000) 26.656 28.197 ( 6.070 2.515 0.000) 6.571 28.814 ( 23.571 5.689 0.000) 24.248 29.392 ( 5.674 -0.331 0.000) 5.683 29.441 ( 4.184 2.580 0.000) 4.915 29.600 ( -18.152 -1.689 0.000) 18.231 29.903 ( -12.506 -2.485 0.000) 12.751 30.535 ( 1.158 4.908 0.000) 5.043 30.633 ( -4.971 6.706 0.000) 8.348 30.890 ( -10.614 -4.080 0.000) 11.371 31.021 ( 7.730 -6.480 0.000) 10.087 33.339 ( 4.238 -1.059 0.000) 4.369 33.382 ( 5.693 -0.582 0.000) 5.723 34.376 ( -3.532 1.460 0.000) 3.822 34.463 ( -4.479 -0.027 0.000) 4.479 34.842 ( 16.411 2.299 0.000) 16.571 35.050 ( 18.512 -0.457 0.000) 18.518 35.632 ( 1.015 0.205 0.000) 1.036 35.669 ( 2.027 0.506 0.000) 2.089 38.774 ( -38.264 1.394 0.000) 38.289 38.925 ( -34.945 -1.858 0.000) 34.995 40.434 ( 21.580 0.169 0.000) 21.581 40.534 ( 21.218 -0.566 0.000) 21.226 ======================= Grid point 23 (17/75) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -5.726 8.063 0.000) 9.889 1.371 ( -7.371 11.567 0.000) 13.716 1.394 ( -0.171 0.543 0.000) 0.569 1.472 ( -6.269 2.391 0.000) 6.710 1.556 ( -1.935 0.225 0.000) 1.948 1.580 ( -4.589 -0.990 0.000) 4.694 1.873 ( -5.647 5.346 0.000) 7.776 1.962 ( -2.600 4.046 0.000) 4.810 1.990 ( -5.442 -7.597 0.000) 9.345 2.045 ( -3.027 4.854 0.000) 5.720 2.069 ( -4.300 4.090 0.000) 5.935 2.108 ( 0.054 0.598 0.000) 0.601 2.155 ( 1.832 -4.273 0.000) 4.649 2.172 ( -4.931 0.557 0.000) 4.963 2.250 ( 1.456 -2.663 0.000) 3.035 2.306 ( -2.543 7.128 0.000) 7.568 2.379 ( 1.364 -0.785 0.000) 1.574 2.418 ( -0.027 -0.178 0.000) 0.180 2.455 ( -0.543 0.003 0.000) 0.543 2.516 ( -2.283 4.099 0.000) 4.692 2.588 ( 4.189 -1.269 0.000) 4.377 2.596 ( 0.514 -0.600 0.000) 0.790 2.676 ( 1.228 -0.131 0.000) 1.235 2.738 ( -6.805 3.534 0.000) 7.668 3.495 ( -4.314 -1.861 0.000) 4.698 4.162 ( 3.732 -4.803 0.000) 6.083 4.856 ( -12.080 0.002 0.000) 12.080 4.886 ( -12.377 -1.989 0.000) 12.536 5.216 ( -0.184 -0.884 0.000) 0.903 5.340 ( 0.023 0.391 0.000) 0.392 5.392 ( 1.756 -0.704 0.000) 1.892 5.452 ( -6.302 -1.184 0.000) 6.412 5.701 ( -1.083 -1.304 0.000) 1.695 5.701 ( -1.029 -0.883 0.000) 1.356 5.793 ( 4.640 0.137 0.000) 4.642 5.805 ( -0.449 -2.450 0.000) 2.491 6.713 ( 10.760 -0.224 0.000) 10.762 6.845 ( 8.162 0.907 0.000) 8.212 7.433 ( -1.871 0.997 0.000) 2.120 7.800 ( 6.434 0.401 0.000) 6.447 11.155 ( -0.435 -5.255 0.000) 5.273 11.316 ( -0.177 -1.304 0.000) 1.316 11.741 ( 1.153 4.324 0.000) 4.475 11.943 ( 5.243 2.794 0.000) 5.941 12.142 ( 9.038 3.672 0.000) 9.756 12.438 ( 11.466 -12.876 0.000) 17.242 13.057 ( -16.013 1.192 0.000) 16.057 13.174 ( -30.790 1.259 0.000) 30.816 13.604 ( -42.677 -4.887 0.000) 42.956 13.724 ( -27.023 -7.393 0.000) 28.016 14.964 ( -19.830 -5.607 0.000) 20.608 15.444 ( -4.727 -7.708 0.000) 9.042 15.936 ( -7.424 -3.812 0.000) 8.345 16.195 ( -15.791 -5.158 0.000) 16.612 16.740 ( 15.008 -5.372 0.000) 15.940 17.831 ( -1.177 7.361 0.000) 7.455 17.938 ( 1.765 2.607 0.000) 3.149 18.005 ( -8.710 6.059 0.000) 10.610 18.005 ( -2.358 6.703 0.000) 7.105 18.375 ( -6.774 1.136 0.000) 6.869 18.918 ( -3.950 -3.399 0.000) 5.211 19.272 ( 17.822 3.198 0.000) 18.107 20.051 ( -10.276 -3.584 0.000) 10.883 20.183 ( -3.246 -1.049 0.000) 3.411 20.521 ( -1.688 12.719 0.000) 12.830 20.725 ( -2.803 -2.083 0.000) 3.492 21.754 ( -27.696 -7.969 0.000) 28.820 22.187 ( -13.691 9.136 0.000) 16.459 22.638 ( -17.947 -2.484 0.000) 18.118 23.429 ( -4.434 12.538 0.000) 13.299 23.498 ( 6.129 -2.150 0.000) 6.495 24.117 ( 3.411 -18.540 0.000) 18.851 24.276 ( 17.237 -10.055 0.000) 19.955 24.534 ( -5.846 4.044 0.000) 7.109 24.798 ( -0.190 -10.217 0.000) 10.219 24.887 ( -17.463 1.209 0.000) 17.505 25.136 ( -15.510 -0.210 0.000) 15.512 25.668 ( -5.585 4.263 0.000) 7.026 25.867 ( 7.257 -0.706 0.000) 7.291 27.254 ( 27.703 -9.332 0.000) 29.232 28.272 ( 5.270 5.968 0.000) 7.961 29.111 ( 10.701 11.274 0.000) 15.544 29.223 ( -19.093 -0.105 0.000) 19.093 29.470 ( 1.844 2.005 0.000) 2.724 29.564 ( 9.244 -1.867 0.000) 9.430 29.775 ( -0.723 -5.262 0.000) 5.311 30.457 ( -10.338 0.551 0.000) 10.353 30.465 ( -4.492 3.594 0.000) 5.753 30.752 ( -8.331 -5.089 0.000) 9.762 31.188 ( 6.145 -1.945 0.000) 6.446 33.435 ( 4.512 -1.082 0.000) 4.640 33.524 ( 8.486 -0.537 0.000) 8.503 34.316 ( -1.576 2.361 0.000) 2.838 34.399 ( -2.281 0.490 0.000) 2.333 35.158 ( 20.547 5.489 0.000) 21.268 35.453 ( 23.828 -0.039 0.000) 23.828 35.666 ( 4.247 1.242 0.000) 4.425 35.700 ( 1.837 1.108 0.000) 2.146 38.008 ( -42.216 2.080 0.000) 42.268 38.268 ( -37.895 -3.718 0.000) 38.077 40.768 ( 14.583 0.696 0.000) 14.599 40.892 ( 16.075 -1.857 0.000) 16.182 ======================= Grid point 24 (18/75) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -7.143 14.900 0.000) 16.524 1.037 ( -11.927 18.534 0.000) 22.040 1.392 ( -1.437 -0.237 0.000) 1.456 1.408 ( -1.072 1.011 0.000) 1.473 1.485 ( -1.999 2.557 0.000) 3.245 1.573 ( -0.329 -2.493 0.000) 2.514 1.702 ( -12.170 24.327 0.000) 27.201 1.735 ( -4.287 6.314 0.000) 7.632 1.872 ( -5.165 0.890 0.000) 5.241 1.939 ( -2.475 6.981 0.000) 7.407 1.965 ( -2.817 0.677 0.000) 2.897 2.106 ( 0.560 1.823 0.000) 1.907 2.111 ( -0.761 -0.848 0.000) 1.140 2.230 ( 1.890 -4.665 0.000) 5.033 2.282 ( 0.671 -0.121 0.000) 0.681 2.346 ( 2.693 -0.552 0.000) 2.749 2.374 ( -1.470 -1.673 0.000) 2.227 2.406 ( -1.466 0.063 0.000) 1.467 2.415 ( -1.433 -1.098 0.000) 1.805 2.477 ( -1.332 -0.299 0.000) 1.365 2.596 ( -4.044 3.111 0.000) 5.102 2.639 ( 1.821 -1.878 0.000) 2.615 2.662 ( 2.319 -1.940 0.000) 3.023 2.719 ( 1.923 -1.638 0.000) 2.527 3.455 ( -1.648 -1.457 0.000) 2.200 4.276 ( 4.195 -5.991 0.000) 7.314 4.660 ( -8.152 -0.423 0.000) 8.163 4.699 ( -9.177 -2.236 0.000) 9.446 5.224 ( -0.008 -1.525 0.000) 1.525 5.297 ( -2.995 -0.729 0.000) 3.082 5.419 ( 0.395 -0.720 0.000) 0.821 5.430 ( 1.394 -1.455 0.000) 2.015 5.685 ( -1.019 -0.389 0.000) 1.091 5.726 ( 1.433 -0.664 0.000) 1.579 5.821 ( -0.365 -3.978 0.000) 3.994 5.862 ( 2.686 0.172 0.000) 2.691 6.875 ( 6.041 0.073 0.000) 6.041 6.953 ( 4.390 0.571 0.000) 4.427 7.387 ( -2.172 0.818 0.000) 2.321 7.901 ( 4.316 0.451 0.000) 4.340 11.213 ( 1.010 -7.670 0.000) 7.736 11.327 ( 0.114 -1.544 0.000) 1.548 11.798 ( 8.021 3.678 0.000) 8.824 12.030 ( 6.705 3.612 0.000) 7.616 12.259 ( 7.078 3.708 0.000) 7.990 12.564 ( -8.009 -2.547 0.000) 8.405 12.598 ( -27.041 0.549 0.000) 27.047 12.933 ( -32.149 -5.145 0.000) 32.558 12.965 ( 5.111 -9.468 0.000) 10.759 13.405 ( -15.779 -14.881 0.000) 21.689 14.694 ( -13.107 -4.764 0.000) 13.946 15.358 ( -12.527 -10.272 0.000) 16.200 15.838 ( -5.647 -4.150 0.000) 7.008 15.982 ( -10.809 -6.266 0.000) 12.494 17.034 ( 9.960 -9.174 0.000) 13.541 17.742 ( -0.017 11.766 0.000) 11.766 17.786 ( -5.345 8.736 0.000) 10.241 17.805 ( -6.045 8.047 0.000) 10.065 17.909 ( -7.406 0.186 0.000) 7.408 18.368 ( 4.650 4.395 0.000) 6.398 18.830 ( -5.931 0.464 0.000) 5.949 19.560 ( 15.816 3.801 0.000) 16.266 19.979 ( -2.071 -8.743 0.000) 8.985 20.125 ( -5.622 -5.075 0.000) 7.574 20.473 ( 7.191 10.255 0.000) 12.525 20.677 ( -2.708 0.296 0.000) 2.724 21.284 ( -31.928 -12.620 0.000) 34.332 21.740 ( -23.580 -1.032 0.000) 23.602 22.454 ( -1.957 12.407 0.000) 12.560 23.268 ( -1.929 12.276 0.000) 12.426 23.589 ( 2.281 -1.146 0.000) 2.553 24.331 ( -3.454 -1.194 0.000) 3.654 24.369 ( 5.634 -19.107 0.000) 19.920 24.519 ( -1.589 1.126 0.000) 1.947 24.608 ( -11.113 -0.111 0.000) 11.113 24.898 ( -9.723 -0.770 0.000) 9.753 25.088 ( 14.812 -17.190 0.000) 22.692 25.590 ( 0.055 3.854 0.000) 3.854 25.992 ( 5.301 1.381 0.000) 5.477 27.856 ( 28.483 -8.820 0.000) 29.818 28.290 ( 2.825 8.881 0.000) 9.319 28.925 ( -12.150 -1.496 0.000) 12.242 28.968 ( -13.148 5.159 0.000) 14.124 29.581 ( 8.781 0.749 0.000) 8.813 29.787 ( 12.154 -3.550 0.000) 12.662 29.908 ( 9.050 0.706 0.000) 9.078 30.247 ( -13.506 -4.435 0.000) 14.216 30.321 ( -9.907 -0.880 0.000) 9.946 30.659 ( -4.167 -1.275 0.000) 4.358 31.286 ( 3.679 -0.118 0.000) 3.681 33.509 ( 2.435 -0.804 0.000) 2.564 33.686 ( 7.815 -0.468 0.000) 7.829 34.272 ( -0.704 3.384 0.000) 3.456 34.367 ( -0.703 1.144 0.000) 1.343 35.471 ( 15.209 7.292 0.000) 16.867 35.716 ( 1.044 1.663 0.000) 1.964 35.736 ( 12.315 0.848 0.000) 12.344 36.019 ( 34.321 5.010 0.000) 34.685 37.202 ( -40.726 2.409 0.000) 40.797 37.573 ( -41.206 -5.766 0.000) 41.607 40.965 ( 7.301 0.891 0.000) 7.355 41.152 ( 9.264 -3.133 0.000) 9.779 ======================= Grid point 25 (19/75) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -0.000 21.868 0.000) 21.868 0.766 ( -0.000 20.200 0.000) 20.200 1.229 ( -0.000 30.301 0.000) 30.301 1.409 ( 0.000 -2.103 0.000) 2.103 1.441 ( -0.000 4.214 0.000) 4.214 1.474 ( -0.000 4.726 0.000) 4.726 1.599 ( 0.000 -3.387 0.000) 3.387 1.626 ( -0.000 7.304 0.000) 7.304 1.806 ( -0.000 1.548 0.000) 1.548 1.862 ( -0.000 6.542 0.000) 6.542 1.905 ( -0.000 5.187 0.000) 5.187 2.095 ( -0.000 2.216 0.000) 2.216 2.122 ( 0.000 -3.137 0.000) 3.137 2.249 ( -0.000 1.713 0.000) 1.713 2.321 ( 0.000 -3.782 0.000) 3.782 2.347 ( -0.000 1.493 0.000) 1.493 2.376 ( 0.000 -3.677 0.000) 3.677 2.397 ( 0.000 -0.482 0.000) 0.482 2.432 ( 0.000 -0.036 0.000) 0.036 2.467 ( 0.000 -3.789 0.000) 3.789 2.540 ( -0.000 2.554 0.000) 2.554 2.677 ( 0.000 -2.118 0.000) 2.118 2.703 ( 0.000 -1.979 0.000) 1.979 2.752 ( 0.000 -1.368 0.000) 1.368 3.449 ( 0.000 -0.673 0.000) 0.673 4.400 ( 0.000 -8.082 0.000) 8.082 4.575 ( 0.000 -0.584 0.000) 0.584 4.608 ( -0.000 0.020 0.000) 0.020 5.237 ( 0.000 -1.718 0.000) 1.718 5.276 ( 0.000 -1.684 0.000) 1.684 5.440 ( 0.000 -1.122 0.000) 1.122 5.461 ( 0.000 -2.084 0.000) 2.084 5.675 ( 0.000 -0.053 0.000) 0.053 5.740 ( 0.000 -0.213 0.000) 0.213 5.853 ( 0.000 -4.243 0.000) 4.243 5.887 ( -0.000 0.088 0.000) 0.088 6.926 ( -0.000 0.574 0.000) 0.574 6.998 ( 0.000 -0.048 0.000) 0.048 7.356 ( -0.000 0.510 0.000) 0.510 7.938 ( -0.000 0.958 0.000) 0.958 11.299 ( 0.000 -9.959 0.000) 9.959 11.341 ( 0.000 -1.352 0.000) 1.352 11.889 ( -0.000 6.511 0.000) 6.511 12.090 ( -0.000 3.833 0.000) 3.833 12.305 ( 0.000 -2.181 0.000) 2.181 12.373 ( 0.000 -2.959 0.000) 2.959 12.383 ( -0.000 8.260 0.000) 8.260 12.612 ( 0.000 -4.551 0.000) 4.551 13.130 ( 0.000 -11.468 0.000) 11.468 13.400 ( 0.000 -18.993 0.000) 18.993 14.591 ( 0.000 -4.099 0.000) 4.099 15.224 ( 0.000 -2.205 0.000) 2.205 15.818 ( 0.000 -4.936 0.000) 4.936 15.933 ( 0.000 -7.284 0.000) 7.284 17.224 ( 0.000 -12.575 0.000) 12.575 17.648 ( -0.000 12.600 0.000) 12.600 17.658 ( -0.000 10.106 0.000) 10.106 17.673 ( -0.000 9.014 0.000) 9.014 17.827 ( 0.000 -0.366 0.000) 0.366 18.380 ( -0.000 5.484 0.000) 5.484 18.751 ( -0.000 1.941 0.000) 1.941 19.721 ( -0.000 3.991 0.000) 3.991 20.076 ( 0.000 -12.680 0.000) 12.680 20.096 ( 0.000 -8.785 0.000) 8.785 20.640 ( -0.000 1.123 0.000) 1.123 20.659 ( 0.000 -0.321 0.000) 0.321 20.817 ( -0.000 1.575 0.000) 1.575 21.507 ( 0.000 -2.427 0.000) 2.427 22.307 ( -0.000 20.060 0.000) 20.060 23.166 ( -0.000 8.898 0.000) 8.898 23.613 ( 0.000 -0.690 0.000) 0.690 24.327 ( 0.000 -2.189 0.000) 2.189 24.480 ( 0.000 -0.158 0.000) 0.158 24.481 ( -0.000 1.077 0.000) 1.077 24.597 ( 0.000 -18.522 0.000) 18.522 24.807 ( 0.000 -0.677 0.000) 0.677 25.393 ( 0.000 -17.211 0.000) 17.211 25.572 ( -0.000 3.194 0.000) 3.194 26.028 ( -0.000 1.758 0.000) 1.758 28.238 ( -0.000 10.131 0.000) 10.131 28.303 ( 0.000 -7.858 0.000) 7.858 28.748 ( 0.000 -2.358 0.000) 2.358 28.826 ( 0.000 -2.437 0.000) 2.437 29.702 ( 0.000 -1.130 0.000) 1.130 30.032 ( 0.000 -2.782 0.000) 2.782 30.036 ( 0.000 -10.225 0.000) 10.225 30.057 ( -0.000 2.394 0.000) 2.394 30.143 ( -0.000 2.248 0.000) 2.248 30.621 ( -0.000 1.021 0.000) 1.021 31.323 ( -0.000 0.001 0.000) 0.001 33.536 ( 0.000 -0.584 0.000) 0.584 33.782 ( 0.000 -1.605 0.000) 1.605 34.237 ( -0.000 3.704 0.000) 3.704 34.349 ( -0.000 1.751 0.000) 1.751 35.552 ( -0.000 4.116 0.000) 4.116 35.712 ( -0.000 1.857 0.000) 1.857 35.950 ( -0.000 9.460 0.000) 9.460 36.642 ( -0.000 0.242 0.000) 0.242 36.680 ( 0.000 -0.083 0.000) 0.083 36.885 ( 0.000 -0.928 0.000) 0.928 41.027 ( -0.000 0.700 0.000) 0.700 41.268 ( 0.000 -3.423 0.000) 3.423 ======================= Grid point 30 (20/75) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -1.649 0.000 0.000) 1.649 1.370 ( 0.988 -0.000 0.000) 0.988 1.498 ( -1.812 0.000 0.000) 1.812 1.546 ( 0.926 -0.000 0.000) 0.926 1.732 ( -9.831 0.000 0.000) 9.831 1.795 ( -6.343 0.000 0.000) 6.343 1.946 ( -7.556 0.000 0.000) 7.556 2.034 ( 3.920 -0.000 0.000) 3.920 2.068 ( -0.314 0.000 0.000) 0.314 2.083 ( -1.406 0.000 0.000) 1.406 2.087 ( -3.067 0.000 0.000) 3.067 2.090 ( -2.580 0.000 0.000) 2.580 2.135 ( -0.005 0.000 0.000) 0.005 2.161 ( -1.827 0.000 0.000) 1.827 2.185 ( -0.287 0.000 0.000) 0.287 2.328 ( 1.611 -0.000 0.000) 1.611 2.384 ( 2.957 -0.000 0.000) 2.957 2.446 ( 1.874 -0.000 0.000) 1.874 2.448 ( 6.367 -0.000 0.000) 6.367 2.563 ( -0.212 0.000 0.000) 0.212 2.565 ( -1.527 0.000 0.000) 1.527 2.611 ( -1.160 0.000 0.000) 1.160 2.765 ( -3.619 0.000 0.000) 3.619 2.880 ( -2.521 0.000 0.000) 2.521 3.578 ( -8.009 0.000 0.000) 8.009 4.018 ( 4.986 -0.000 0.000) 4.986 5.061 ( -10.028 0.000 0.000) 10.028 5.109 ( -11.605 0.000 0.000) 11.605 5.219 ( -0.849 0.000 0.000) 0.849 5.315 ( 1.561 -0.000 0.000) 1.561 5.344 ( 2.569 -0.000 0.000) 2.569 5.625 ( -12.789 0.000 0.000) 12.789 5.686 ( 6.843 -0.000 0.000) 6.843 5.727 ( -1.956 0.000 0.000) 1.956 5.759 ( -8.755 0.000 0.000) 8.755 5.791 ( -1.270 0.000 0.000) 1.270 6.483 ( 13.517 -0.000 0.000) 13.517 6.665 ( 12.295 -0.000 0.000) 12.295 7.483 ( -1.674 0.000 0.000) 1.674 7.689 ( 6.197 -0.000 0.000) 6.197 11.120 ( -2.429 0.000 0.000) 2.429 11.310 ( -1.244 0.000 0.000) 1.244 11.873 ( -6.669 0.000 0.000) 6.669 11.885 ( 3.716 -0.000 0.000) 3.716 12.000 ( 10.747 -0.000 0.000) 10.747 12.041 ( 12.712 -0.000 0.000) 12.712 13.399 ( -18.799 0.000 0.000) 18.799 13.626 ( -14.927 0.000 0.000) 14.927 14.256 ( -33.768 0.000 0.000) 33.768 14.363 ( -43.006 0.000 0.000) 43.006 15.292 ( -25.045 0.000 0.000) 25.045 15.426 ( 0.222 -0.000 0.000) 0.222 15.996 ( -4.367 0.000 0.000) 4.367 16.364 ( 19.385 -0.000 0.000) 19.385 16.445 ( -17.817 0.000 0.000) 17.817 17.694 ( 20.572 -0.000 0.000) 20.572 17.919 ( 0.622 -0.000 0.000) 0.622 18.232 ( -7.672 0.000 0.000) 7.672 18.234 ( -5.347 0.000 0.000) 5.347 18.569 ( -12.479 0.000 0.000) 12.479 18.886 ( -1.093 0.000 0.000) 1.093 18.961 ( 19.285 -0.000 0.000) 19.285 20.271 ( -2.328 0.000 0.000) 2.328 20.276 ( -13.898 0.000 0.000) 13.898 20.677 ( 2.154 -0.000 0.000) 2.154 20.777 ( -5.530 0.000 0.000) 5.530 22.218 ( -26.435 0.000 0.000) 26.435 22.334 ( 9.962 -0.000 0.000) 9.962 23.094 ( -33.923 0.000 0.000) 33.923 23.285 ( 16.052 -0.000 0.000) 16.052 23.580 ( 24.126 -0.000 0.000) 24.126 23.634 ( -1.874 0.000 0.000) 1.874 23.955 ( -10.562 0.000 0.000) 10.562 24.776 ( -2.891 0.000 0.000) 2.891 24.794 ( -13.720 0.000 0.000) 13.720 25.205 ( -8.467 0.000 0.000) 8.467 25.479 ( -19.580 0.000 0.000) 19.580 25.763 ( -4.594 0.000 0.000) 4.594 25.897 ( -10.080 0.000 0.000) 10.080 26.612 ( 26.938 -0.000 0.000) 26.938 28.217 ( 7.058 -0.000 0.000) 7.058 28.860 ( 24.625 -0.000 0.000) 24.625 29.390 ( 6.298 -0.000 0.000) 6.298 29.466 ( 5.360 -0.000 0.000) 5.360 29.585 ( -18.122 0.000 0.000) 18.122 29.874 ( -14.918 0.000 0.000) 14.918 30.585 ( 2.937 -0.000 0.000) 2.937 30.702 ( -10.781 0.000 0.000) 10.781 30.848 ( -13.341 0.000 0.000) 13.341 30.957 ( 13.478 -0.000 0.000) 13.478 33.330 ( 4.286 -0.000 0.000) 4.286 33.378 ( 5.650 -0.000 0.000) 5.650 34.388 ( -3.556 0.000 0.000) 3.556 34.463 ( -4.232 0.000 0.000) 4.232 34.863 ( 17.385 -0.000 0.000) 17.385 35.044 ( 18.453 -0.000 0.000) 18.453 35.634 ( 1.099 -0.000 0.000) 1.099 35.673 ( 2.168 -0.000 0.000) 2.168 38.787 ( -38.169 0.000 0.000) 38.169 38.909 ( -35.277 0.000 0.000) 35.277 40.436 ( 21.811 -0.000 0.000) 21.811 40.529 ( 20.841 -0.000 0.000) 20.841 ======================= Grid point 32 (21/75) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -2.087 3.427 0.000) 4.013 1.384 ( 0.468 -0.223 0.000) 0.519 1.453 ( -2.645 0.592 0.000) 2.711 1.553 ( -0.953 -0.484 0.000) 1.069 1.569 ( -6.638 -0.262 0.000) 6.643 1.621 ( -8.196 12.415 0.000) 14.876 1.834 ( -8.095 -10.802 0.000) 13.499 1.962 ( -4.053 5.372 0.000) 6.729 2.031 ( -0.803 4.174 0.000) 4.251 2.069 ( -0.643 -4.193 0.000) 4.243 2.093 ( 0.550 -1.091 0.000) 1.222 2.107 ( -0.901 2.220 0.000) 2.396 2.126 ( 0.866 -0.302 0.000) 0.917 2.145 ( 0.485 -1.681 0.000) 1.749 2.215 ( 2.048 -1.267 0.000) 2.408 2.369 ( 1.313 -0.452 0.000) 1.389 2.417 ( 0.403 0.008 0.000) 0.403 2.434 ( -3.971 3.715 0.000) 5.438 2.470 ( -2.677 3.900 0.000) 4.731 2.553 ( -2.247 -1.006 0.000) 2.462 2.563 ( 3.893 -1.078 0.000) 4.039 2.587 ( -0.717 -0.377 0.000) 0.810 2.686 ( -2.560 1.418 0.000) 2.926 2.779 ( -6.887 1.408 0.000) 7.030 3.465 ( -4.619 -1.311 0.000) 4.801 4.093 ( 2.352 -2.869 0.000) 3.710 4.856 ( -11.829 0.115 0.000) 11.830 4.864 ( -12.929 -0.808 0.000) 12.954 5.207 ( -0.511 -0.267 0.000) 0.577 5.352 ( 0.971 0.730 0.000) 1.215 5.384 ( 1.622 -0.280 0.000) 1.646 5.432 ( -7.446 -1.037 0.000) 7.518 5.680 ( -0.270 -0.716 0.000) 0.765 5.698 ( -1.240 -0.083 0.000) 1.243 5.778 ( -0.996 -0.879 0.000) 1.328 5.795 ( 4.816 0.030 0.000) 4.816 6.711 ( 10.818 -0.010 0.000) 10.818 6.854 ( 8.037 0.277 0.000) 8.042 7.449 ( -1.841 0.666 0.000) 1.958 7.805 ( 6.129 0.162 0.000) 6.131 11.098 ( -0.677 -1.851 0.000) 1.971 11.297 ( -0.506 -0.774 0.000) 0.925 11.797 ( -0.113 2.193 0.000) 2.195 11.965 ( 4.897 0.357 0.000) 4.910 12.194 ( 10.508 2.763 0.000) 10.865 12.285 ( 10.331 -6.024 0.000) 11.959 13.061 ( -15.844 -0.259 0.000) 15.847 13.195 ( -29.091 0.953 0.000) 29.107 13.542 ( -43.733 -2.345 0.000) 43.796 13.646 ( -31.156 -2.292 0.000) 31.241 14.890 ( -18.942 -2.789 0.000) 19.146 15.377 ( -6.189 -1.642 0.000) 6.403 15.891 ( -6.921 -1.591 0.000) 7.102 16.139 ( -15.812 -1.822 0.000) 15.916 16.681 ( 14.203 -1.852 0.000) 14.323 17.930 ( 1.881 3.902 0.000) 4.332 17.949 ( 3.616 0.054 0.000) 3.616 18.075 ( -8.033 2.389 0.000) 8.381 18.101 ( -6.569 3.621 0.000) 7.501 18.382 ( -4.320 -0.068 0.000) 4.321 18.864 ( -2.325 -2.418 0.000) 3.355 19.307 ( 18.103 1.145 0.000) 18.140 20.012 ( -13.540 -1.278 0.000) 13.600 20.195 ( -4.734 1.233 0.000) 4.892 20.662 ( -3.875 4.668 0.000) 6.067 20.695 ( -0.678 -1.269 0.000) 1.439 21.673 ( -31.355 -2.374 0.000) 31.445 22.339 ( -27.188 9.064 0.000) 28.659 22.546 ( -4.858 -7.608 0.000) 9.026 23.472 ( 6.585 -0.973 0.000) 6.656 23.609 ( 0.459 9.125 0.000) 9.136 23.873 ( -1.066 -11.131 0.000) 11.182 24.132 ( 24.342 -5.682 0.000) 24.996 24.586 ( -4.870 2.300 0.000) 5.386 24.696 ( -6.097 -3.349 0.000) 6.956 24.906 ( -18.018 0.831 0.000) 18.037 25.133 ( -16.608 -0.181 0.000) 16.609 25.722 ( -6.326 1.995 0.000) 6.633 25.856 ( 9.029 -0.509 0.000) 9.044 27.153 ( 29.533 -3.288 0.000) 29.715 28.339 ( 6.395 2.212 0.000) 6.767 29.223 ( -19.647 -0.009 0.000) 19.647 29.262 ( 16.856 6.366 0.000) 18.018 29.510 ( -9.612 3.484 0.000) 10.224 29.542 ( 9.292 -0.798 0.000) 9.326 29.645 ( 0.838 -8.676 0.000) 8.716 30.483 ( -11.673 1.443 0.000) 11.762 30.547 ( -7.493 6.211 0.000) 9.733 30.656 ( -6.129 -6.577 0.000) 8.990 31.166 ( 8.358 -0.732 0.000) 8.390 33.422 ( 4.781 -0.427 0.000) 4.800 33.517 ( 8.666 -0.251 0.000) 8.670 34.343 ( -1.107 0.963 0.000) 1.467 34.403 ( -2.251 0.053 0.000) 2.251 35.230 ( 22.970 2.905 0.000) 23.153 35.436 ( 21.238 -1.204 0.000) 21.272 35.682 ( 6.491 0.569 0.000) 6.515 35.713 ( 2.067 0.423 0.000) 2.110 38.032 ( -42.181 0.833 0.000) 42.189 38.227 ( -38.333 -1.341 0.000) 38.356 40.779 ( 15.097 0.523 0.000) 15.106 40.868 ( 15.076 -0.983 0.000) 15.108 ======================= Grid point 33 (22/75) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -3.591 10.639 0.000) 11.229 1.322 ( -9.813 16.842 0.000) 19.492 1.388 ( -0.683 0.129 0.000) 0.695 1.410 ( -0.993 -0.232 0.000) 1.020 1.489 ( -2.438 -3.062 0.000) 3.913 1.548 ( -0.553 0.261 0.000) 0.611 1.784 ( -6.539 -10.004 0.000) 11.952 1.851 ( -2.226 7.811 0.000) 8.122 1.987 ( -0.547 6.153 0.000) 6.178 2.042 ( -1.702 5.378 0.000) 5.641 2.068 ( -2.581 12.862 0.000) 13.118 2.120 ( 1.673 -2.897 0.000) 3.346 2.125 ( -0.471 1.823 0.000) 1.883 2.150 ( 0.694 -2.341 0.000) 2.441 2.267 ( 2.216 -1.237 0.000) 2.538 2.334 ( 0.701 0.290 0.000) 0.758 2.364 ( -1.694 -0.429 0.000) 1.747 2.399 ( -2.201 -0.363 0.000) 2.230 2.404 ( -3.734 -0.210 0.000) 3.740 2.494 ( -2.791 1.619 0.000) 3.227 2.606 ( 1.288 -1.681 0.000) 2.118 2.625 ( 1.286 -2.601 0.000) 2.902 2.642 ( -5.115 2.053 0.000) 5.511 2.687 ( 1.249 -1.968 0.000) 2.331 3.422 ( -1.852 -2.296 0.000) 2.950 4.166 ( 1.717 -6.572 0.000) 6.793 4.650 ( -8.735 -0.641 0.000) 8.758 4.681 ( -7.577 -0.444 0.000) 7.590 5.205 ( -0.185 -0.833 0.000) 0.854 5.303 ( -2.739 1.489 0.000) 3.118 5.394 ( -0.305 -2.306 0.000) 2.326 5.411 ( 0.890 -0.838 0.000) 1.222 5.681 ( -0.732 -0.176 0.000) 0.753 5.719 ( 2.358 -0.313 0.000) 2.379 5.768 ( -0.971 -2.369 0.000) 2.561 5.864 ( 2.598 0.082 0.000) 2.600 6.876 ( 6.525 0.119 0.000) 6.526 6.960 ( 3.810 0.319 0.000) 3.823 7.404 ( -1.997 1.123 0.000) 2.291 7.903 ( 4.069 -0.126 0.000) 4.071 11.120 ( 0.450 -3.932 0.000) 3.958 11.301 ( -0.084 -1.501 0.000) 1.503 11.848 ( 7.758 2.274 0.000) 8.084 12.059 ( 5.315 0.628 0.000) 5.352 12.311 ( 3.985 2.899 0.000) 4.928 12.490 ( 5.204 -5.911 0.000) 7.875 12.634 ( -26.026 3.534 0.000) 26.265 12.849 ( -32.242 -5.149 0.000) 32.651 12.881 ( -2.962 -1.492 0.000) 3.316 13.195 ( -20.886 -10.367 0.000) 23.317 14.626 ( -11.898 -3.363 0.000) 12.364 15.251 ( -8.562 -3.941 0.000) 9.425 15.787 ( -5.197 -2.207 0.000) 5.646 15.906 ( -10.450 -3.238 0.000) 10.940 16.924 ( 8.792 -4.556 0.000) 9.903 17.851 ( -8.152 0.466 0.000) 8.165 17.907 ( -3.495 6.109 0.000) 7.039 17.922 ( -0.120 7.980 0.000) 7.981 17.957 ( -5.136 4.592 0.000) 6.890 18.419 ( 5.024 2.029 0.000) 5.418 18.826 ( -3.325 -0.806 0.000) 3.421 19.611 ( 15.692 2.269 0.000) 15.856 19.847 ( -6.415 -6.656 0.000) 9.244 20.087 ( -6.497 -0.453 0.000) 6.513 20.594 ( 1.735 5.088 0.000) 5.375 20.679 ( -1.287 0.065 0.000) 1.288 21.150 ( -26.707 -5.052 0.000) 27.181 21.725 ( -27.157 -0.774 0.000) 27.168 22.580 ( 2.055 4.138 0.000) 4.620 23.497 ( -0.575 15.852 0.000) 15.863 23.570 ( 3.015 -1.020 0.000) 3.183 24.055 ( 4.663 -19.405 0.000) 19.957 24.293 ( -3.425 -2.938 0.000) 4.512 24.535 ( -4.755 0.841 0.000) 4.829 24.617 ( -11.321 0.734 0.000) 11.345 24.869 ( 16.802 -9.501 0.000) 19.302 24.886 ( -9.807 -0.691 0.000) 9.831 25.643 ( -0.817 2.509 0.000) 2.639 26.012 ( 6.704 1.002 0.000) 6.779 27.751 ( 30.666 -4.344 0.000) 30.972 28.405 ( 3.625 5.248 0.000) 6.378 28.905 ( -13.256 -0.890 0.000) 13.285 29.041 ( -21.920 3.762 0.000) 22.241 29.572 ( 7.814 -1.655 0.000) 7.987 29.738 ( 10.122 -2.253 0.000) 10.370 29.854 ( 10.759 -4.073 0.000) 11.504 30.252 ( -11.165 2.188 0.000) 11.378 30.328 ( -10.925 1.163 0.000) 10.987 30.630 ( -1.789 -1.999 0.000) 2.683 31.284 ( 4.112 -0.120 0.000) 4.114 33.497 ( 2.637 -0.544 0.000) 2.692 33.677 ( 7.294 -0.502 0.000) 7.311 34.320 ( -0.232 2.452 0.000) 2.463 34.377 ( -0.608 0.083 0.000) 0.613 35.570 ( 8.878 4.772 0.000) 10.079 35.739 ( 1.238 1.031 0.000) 1.612 35.740 ( 21.605 -0.296 0.000) 21.607 36.069 ( 32.487 1.713 0.000) 32.532 37.233 ( -41.252 1.411 0.000) 41.276 37.511 ( -39.896 -2.300 0.000) 39.962 40.984 ( 7.606 1.320 0.000) 7.720 41.103 ( 8.380 -2.761 0.000) 8.823 ======================= Grid point 34 (23/75) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -0.000 15.157 0.000) 15.157 1.061 ( -0.000 19.725 0.000) 19.725 1.378 ( 0.000 -0.251 0.000) 0.251 1.407 ( -0.000 0.173 0.000) 0.173 1.488 ( -0.000 0.289 0.000) 0.289 1.546 ( 0.000 -2.229 0.000) 2.229 1.758 ( -0.000 9.046 0.000) 9.046 1.778 ( 0.000 -5.883 0.000) 5.883 1.804 ( -0.000 26.087 0.000) 26.087 1.972 ( -0.000 6.940 0.000) 6.940 1.986 ( -0.000 4.972 0.000) 4.972 2.108 ( -0.000 2.117 0.000) 2.117 2.132 ( -0.000 2.139 0.000) 2.139 2.208 ( 0.000 -6.388 0.000) 6.388 2.315 ( -0.000 2.485 0.000) 2.485 2.321 ( 0.000 -2.660 0.000) 2.660 2.362 ( -0.000 0.163 0.000) 0.163 2.380 ( 0.000 -1.835 0.000) 1.835 2.394 ( 0.000 -5.232 0.000) 5.232 2.445 ( -0.000 1.740 0.000) 1.740 2.577 ( -0.000 2.088 0.000) 2.088 2.640 ( 0.000 -2.426 0.000) 2.426 2.662 ( 0.000 -3.181 0.000) 3.181 2.720 ( 0.000 -2.425 0.000) 2.425 3.425 ( 0.000 -2.330 0.000) 2.330 4.255 ( 0.000 -9.437 0.000) 9.437 4.567 ( 0.000 -0.449 0.000) 0.449 4.608 ( 0.000 -0.044 0.000) 0.044 5.212 ( 0.000 -1.337 0.000) 1.337 5.268 ( -0.000 0.703 0.000) 0.703 5.414 ( 0.000 -2.278 0.000) 2.278 5.430 ( 0.000 -1.573 0.000) 1.573 5.674 ( 0.000 -0.047 0.000) 0.047 5.736 ( 0.000 -0.184 0.000) 0.184 5.790 ( 0.000 -3.396 0.000) 3.396 5.888 ( -0.000 0.065 0.000) 0.065 6.935 ( -0.000 0.576 0.000) 0.576 6.997 ( 0.000 -0.084 0.000) 0.084 7.371 ( -0.000 1.298 0.000) 1.298 7.945 ( 0.000 -0.113 0.000) 0.113 11.168 ( 0.000 -6.274 0.000) 6.274 11.314 ( 0.000 -1.813 0.000) 1.813 12.006 ( -0.000 7.898 0.000) 7.898 12.063 ( 0.000 -4.752 0.000) 4.752 12.334 ( 0.000 -1.609 0.000) 1.609 12.343 ( -0.000 4.751 0.000) 4.751 12.515 ( -0.000 7.802 0.000) 7.802 12.525 ( 0.000 -6.171 0.000) 6.171 12.943 ( 0.000 -11.173 0.000) 11.173 13.100 ( 0.000 -17.180 0.000) 17.180 14.530 ( 0.000 -3.256 0.000) 3.256 15.180 ( 0.000 -3.058 0.000) 3.058 15.755 ( 0.000 -2.919 0.000) 2.919 15.835 ( 0.000 -4.690 0.000) 4.690 17.060 ( 0.000 -7.669 0.000) 7.669 17.759 ( -0.000 1.584 0.000) 1.584 17.806 ( -0.000 7.146 0.000) 7.146 17.854 ( -0.000 12.290 0.000) 12.290 17.863 ( -0.000 5.371 0.000) 5.371 18.450 ( -0.000 3.333 0.000) 3.333 18.779 ( -0.000 1.531 0.000) 1.531 19.787 ( -0.000 3.989 0.000) 3.989 19.874 ( 0.000 -11.760 0.000) 11.760 19.998 ( 0.000 -3.774 0.000) 3.774 20.654 ( 0.000 -0.282 0.000) 0.282 20.658 ( -0.000 1.110 0.000) 1.110 20.835 ( -0.000 0.695 0.000) 0.695 21.466 ( 0.000 -2.504 0.000) 2.504 22.543 ( -0.000 9.538 0.000) 9.538 23.362 ( -0.000 15.436 0.000) 15.436 23.602 ( 0.000 -0.606 0.000) 0.606 24.275 ( 0.000 -21.136 0.000) 21.136 24.281 ( 0.000 -3.381 0.000) 3.381 24.478 ( 0.000 -0.142 0.000) 0.142 24.499 ( -0.000 1.020 0.000) 1.020 24.796 ( 0.000 -0.681 0.000) 0.681 25.140 ( 0.000 -13.281 0.000) 13.281 25.622 ( -0.000 2.709 0.000) 2.709 26.063 ( -0.000 2.276 0.000) 2.276 28.201 ( 0.000 -4.654 0.000) 4.654 28.387 ( -0.000 7.859 0.000) 7.859 28.712 ( 0.000 -1.960 0.000) 1.960 28.789 ( 0.000 -2.052 0.000) 2.052 29.673 ( 0.000 -2.333 0.000) 2.333 29.904 ( 0.000 -6.130 0.000) 6.130 30.001 ( 0.000 -1.059 0.000) 1.059 30.093 ( -0.000 1.992 0.000) 1.992 30.177 ( -0.000 1.884 0.000) 1.884 30.621 ( 0.000 -0.681 0.000) 0.681 31.323 ( 0.000 -0.047 0.000) 0.047 33.526 ( 0.000 -0.613 0.000) 0.613 33.760 ( 0.000 -1.137 0.000) 1.137 34.294 ( -0.000 3.298 0.000) 3.298 34.370 ( -0.000 0.726 0.000) 0.726 35.602 ( -0.000 2.262 0.000) 2.262 35.740 ( -0.000 1.543 0.000) 1.543 36.090 ( -0.000 7.399 0.000) 7.399 36.646 ( -0.000 0.238 0.000) 0.238 36.678 ( 0.000 -0.098 0.000) 0.098 36.871 ( 0.000 -0.818 0.000) 0.818 41.043 ( -0.000 1.356 0.000) 1.356 41.210 ( 0.000 -3.689 0.000) 3.689 ======================= Grid point 41 (24/75) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -0.769 0.000 0.000) 0.769 1.392 ( 0.441 -0.000 0.000) 0.441 1.402 ( -2.368 0.000 0.000) 2.368 1.441 ( -4.786 0.000 0.000) 4.786 1.545 ( -11.227 0.000 0.000) 11.227 1.554 ( -0.216 0.000 0.000) 0.216 1.615 ( -3.748 0.000 0.000) 3.748 1.946 ( -1.189 0.000 0.000) 1.189 2.036 ( -0.795 0.000 0.000) 0.795 2.045 ( 0.837 -0.000 0.000) 0.837 2.093 ( -1.109 0.000 0.000) 1.109 2.132 ( 3.944 -0.000 0.000) 3.944 2.148 ( 0.887 -0.000 0.000) 0.887 2.171 ( 2.838 -0.000 0.000) 2.838 2.258 ( 2.928 -0.000 0.000) 2.928 2.354 ( -1.898 0.000 0.000) 1.898 2.366 ( -5.384 0.000 0.000) 5.384 2.402 ( -2.295 0.000 0.000) 2.295 2.403 ( -5.955 0.000 0.000) 5.955 2.499 ( -1.713 0.000 0.000) 1.713 2.590 ( 1.017 -0.000 0.000) 1.017 2.601 ( 0.006 -0.000 0.000) 0.006 2.659 ( -5.510 0.000 0.000) 5.510 2.670 ( 1.061 -0.000 0.000) 1.061 3.400 ( -1.949 0.000 0.000) 1.949 4.107 ( 0.781 -0.000 0.000) 0.781 4.645 ( -8.640 0.000 0.000) 8.640 4.678 ( -7.304 0.000 0.000) 7.304 5.198 ( -0.253 0.000 0.000) 0.253 5.328 ( -2.997 0.000 0.000) 2.997 5.363 ( -0.166 0.000 0.000) 0.166 5.405 ( 0.728 -0.000 0.000) 0.728 5.679 ( -0.650 0.000 0.000) 0.650 5.716 ( 2.942 -0.000 0.000) 2.942 5.750 ( -1.393 0.000 0.000) 1.393 5.864 ( 2.576 -0.000 0.000) 2.576 6.877 ( 6.674 -0.000 0.000) 6.674 6.963 ( 3.627 -0.000 0.000) 3.627 7.414 ( -1.950 0.000 0.000) 1.950 7.901 ( 3.856 -0.000 0.000) 3.856 11.089 ( 0.328 -0.000 0.000) 0.328 11.288 ( -0.142 0.000 0.000) 0.142 11.866 ( 6.800 -0.000 0.000) 6.800 12.063 ( 5.431 -0.000 0.000) 5.431 12.343 ( -0.244 0.000 0.000) 0.244 12.428 ( 12.306 -0.000 0.000) 12.306 12.677 ( -24.264 0.000 0.000) 24.264 12.795 ( -33.443 0.000 0.000) 33.443 12.877 ( -3.505 0.000 0.000) 3.505 13.107 ( -24.496 0.000 0.000) 24.496 14.598 ( -11.104 0.000 0.000) 11.104 15.221 ( -8.052 0.000 0.000) 8.052 15.769 ( -4.879 0.000 0.000) 4.879 15.880 ( -10.267 0.000 0.000) 10.267 16.888 ( 8.492 -0.000 0.000) 8.492 17.851 ( -8.422 0.000 0.000) 8.422 17.951 ( -5.334 0.000 0.000) 5.334 17.998 ( 2.389 -0.000 0.000) 2.389 17.998 ( -5.175 0.000 0.000) 5.175 18.435 ( 5.251 -0.000 0.000) 5.251 18.816 ( -1.721 0.000 0.000) 1.721 19.629 ( 15.661 -0.000 0.000) 15.661 19.791 ( -8.353 0.000 0.000) 8.353 20.087 ( -7.116 0.000 0.000) 7.116 20.635 ( -0.504 0.000 0.000) 0.504 20.680 ( -0.573 0.000 0.000) 0.573 21.111 ( -24.991 0.000 0.000) 24.991 21.719 ( -28.673 0.000 0.000) 28.673 22.609 ( 3.496 -0.000 0.000) 3.496 23.561 ( 3.456 -0.000 0.000) 3.456 23.746 ( 5.118 -0.000 0.000) 5.118 23.778 ( -0.888 0.000 0.000) 0.888 24.264 ( -2.830 0.000 0.000) 2.830 24.543 ( -6.608 0.000 0.000) 6.608 24.624 ( -11.440 0.000 0.000) 11.440 24.793 ( 17.777 -0.000 0.000) 17.777 24.880 ( -9.744 0.000 0.000) 9.744 25.664 ( -1.269 0.000 0.000) 1.269 26.020 ( 7.371 -0.000 0.000) 7.371 27.717 ( 31.470 -0.000 0.000) 31.470 28.448 ( 3.905 -0.000 0.000) 3.905 28.898 ( -13.698 0.000 0.000) 13.698 29.074 ( -26.847 0.000 0.000) 26.847 29.552 ( 8.827 -0.000 0.000) 8.827 29.720 ( 9.497 -0.000 0.000) 9.497 29.821 ( 12.808 -0.000 0.000) 12.808 30.273 ( -11.066 0.000 0.000) 11.066 30.340 ( -12.004 0.000 0.000) 12.004 30.611 ( -0.294 0.000 0.000) 0.294 31.283 ( 4.257 -0.000 0.000) 4.257 33.493 ( 2.714 -0.000 0.000) 2.714 33.672 ( 7.155 -0.000 0.000) 7.155 34.343 ( 0.286 -0.000 0.000) 0.286 34.374 ( -0.936 0.000 0.000) 0.936 35.611 ( 2.308 -0.000 0.000) 2.308 35.734 ( 29.138 -0.000 0.000) 29.138 35.747 ( 1.311 -0.000 0.000) 1.311 36.082 ( 31.806 -0.000 0.000) 31.806 37.245 ( -41.410 0.000 0.000) 41.410 37.494 ( -39.371 0.000 0.000) 39.371 40.998 ( 7.928 -0.000 0.000) 7.928 41.077 ( 7.838 -0.000 0.000) 7.838 ======================= Grid point 43 (25/75) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -0.000 9.464 0.000) 9.464 1.344 ( -0.000 14.854 0.000) 14.854 1.381 ( -0.000 0.506 0.000) 0.506 1.400 ( 0.000 -0.666 0.000) 0.666 1.426 ( 0.000 -5.790 0.000) 5.790 1.548 ( -0.000 0.723 0.000) 0.723 1.633 ( 0.000 -10.778 0.000) 10.778 1.899 ( -0.000 7.725 0.000) 7.725 2.019 ( -0.000 2.345 0.000) 2.345 2.064 ( -0.000 3.737 0.000) 3.737 2.094 ( 0.000 -6.854 0.000) 6.854 2.154 ( -0.000 0.535 0.000) 0.535 2.160 ( -0.000 13.923 0.000) 13.923 2.172 ( -0.000 4.549 0.000) 4.549 2.301 ( -0.000 0.135 0.000) 0.135 2.308 ( 0.000 -4.896 0.000) 4.896 2.341 ( 0.000 -3.167 0.000) 3.167 2.342 ( 0.000 -2.392 0.000) 2.392 2.351 ( -0.000 1.453 0.000) 1.453 2.476 ( -0.000 1.429 0.000) 1.429 2.602 ( -0.000 0.897 0.000) 0.897 2.608 ( 0.000 -1.255 0.000) 1.255 2.609 ( 0.000 -2.569 0.000) 2.569 2.690 ( 0.000 -1.006 0.000) 1.006 3.389 ( 0.000 -1.544 0.000) 1.544 4.133 ( 0.000 -4.665 0.000) 4.665 4.562 ( 0.000 -0.167 0.000) 0.167 4.607 ( 0.000 -0.027 0.000) 0.027 5.198 ( 0.000 -0.448 0.000) 0.448 5.293 ( -0.000 1.958 0.000) 1.958 5.372 ( 0.000 -2.493 0.000) 2.493 5.413 ( 0.000 -0.538 0.000) 0.538 5.673 ( 0.000 -0.018 0.000) 0.018 5.734 ( 0.000 -0.072 0.000) 0.072 5.753 ( 0.000 -1.158 0.000) 1.158 5.888 ( -0.000 0.025 0.000) 0.025 6.942 ( -0.000 0.254 0.000) 0.254 6.996 ( 0.000 -0.052 0.000) 0.052 7.390 ( -0.000 0.733 0.000) 0.733 7.940 ( 0.000 -0.290 0.000) 0.290 11.102 ( 0.000 -2.047 0.000) 2.047 11.290 ( 0.000 -0.922 0.000) 0.922 12.000 ( 0.000 -2.303 0.000) 2.303 12.119 ( -0.000 5.056 0.000) 5.056 12.322 ( 0.000 -0.145 0.000) 0.145 12.403 ( -0.000 2.129 0.000) 2.129 12.432 ( 0.000 -4.373 0.000) 4.373 12.614 ( -0.000 4.035 0.000) 4.035 12.807 ( 0.000 -4.915 0.000) 4.915 12.894 ( 0.000 -7.629 0.000) 7.629 14.494 ( 0.000 -1.221 0.000) 1.221 15.141 ( 0.000 -1.448 0.000) 1.448 15.725 ( 0.000 -0.897 0.000) 0.897 15.786 ( 0.000 -1.500 0.000) 1.500 16.981 ( 0.000 -2.432 0.000) 2.432 17.762 ( 0.000 -0.182 0.000) 0.182 17.886 ( -0.000 2.693 0.000) 2.693 17.935 ( -0.000 2.605 0.000) 2.605 18.003 ( -0.000 5.385 0.000) 5.385 18.485 ( -0.000 1.069 0.000) 1.069 18.796 ( -0.000 0.553 0.000) 0.553 19.733 ( 0.000 -5.080 0.000) 5.080 19.835 ( -0.000 1.712 0.000) 1.712 19.964 ( 0.000 -0.851 0.000) 0.851 20.651 ( 0.000 -0.111 0.000) 0.111 20.672 ( -0.000 0.490 0.000) 0.490 20.842 ( -0.000 0.172 0.000) 0.172 21.436 ( 0.000 -1.112 0.000) 1.112 22.632 ( -0.000 2.354 0.000) 2.354 23.595 ( 0.000 -0.239 0.000) 0.239 23.636 ( -0.000 18.373 0.000) 18.373 23.944 ( 0.000 -20.099 0.000) 20.099 24.234 ( 0.000 -1.939 0.000) 1.939 24.476 ( 0.000 -0.057 0.000) 0.057 24.511 ( -0.000 0.427 0.000) 0.427 24.788 ( 0.000 -0.296 0.000) 0.296 24.997 ( 0.000 -4.494 0.000) 4.494 25.652 ( -0.000 1.024 0.000) 1.024 26.090 ( -0.000 0.989 0.000) 0.989 28.154 ( 0.000 -1.386 0.000) 1.386 28.474 ( -0.000 2.876 0.000) 2.876 28.690 ( 0.000 -0.748 0.000) 0.748 28.765 ( 0.000 -0.789 0.000) 0.789 29.641 ( 0.000 -1.261 0.000) 1.261 29.842 ( 0.000 -1.870 0.000) 1.870 29.994 ( 0.000 -0.088 0.000) 0.088 30.116 ( -0.000 0.761 0.000) 0.761 30.199 ( -0.000 0.723 0.000) 0.723 30.610 ( 0.000 -0.507 0.000) 0.507 31.322 ( 0.000 -0.032 0.000) 0.032 33.519 ( 0.000 -0.244 0.000) 0.244 33.747 ( 0.000 -0.410 0.000) 0.410 34.338 ( -0.000 2.032 0.000) 2.032 34.370 ( 0.000 -0.626 0.000) 0.626 35.626 ( -0.000 0.760 0.000) 0.760 35.757 ( -0.000 0.584 0.000) 0.584 36.171 ( -0.000 2.602 0.000) 2.602 36.649 ( -0.000 0.104 0.000) 0.104 36.677 ( 0.000 -0.049 0.000) 0.049 36.861 ( 0.000 -0.325 0.000) 0.325 41.067 ( -0.000 1.293 0.000) 1.293 41.160 ( 0.000 -2.201 0.000) 2.201 ======================= Grid point 85 (26/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 0.000 0.000 24.157) 24.157 0.469 ( 0.000 0.000 24.172) 24.172 0.750 ( 0.000 0.000 36.524) 36.524 1.227 ( 0.000 0.000 -11.316) 11.316 1.273 ( 0.000 0.000 -17.972) 17.972 1.474 ( 0.000 0.000 2.821) 2.821 1.482 ( 0.000 0.000 -2.173) 2.173 1.684 ( 0.000 0.000 -2.682) 2.682 1.760 ( 0.000 0.000 -0.929) 0.929 1.905 ( 0.000 0.000 10.291) 10.291 1.953 ( 0.000 0.000 4.470) 4.470 2.020 ( 0.000 0.000 -7.986) 7.986 2.100 ( 0.000 0.000 -10.312) 10.312 2.171 ( 0.000 0.000 -3.517) 3.517 2.216 ( 0.000 0.000 1.977) 1.977 2.343 ( 0.000 0.000 -4.003) 4.003 2.423 ( 0.000 0.000 -0.929) 0.929 2.447 ( 0.000 0.000 -1.500) 1.500 2.532 ( 0.000 0.000 4.046) 4.046 2.538 ( 0.000 0.000 7.359) 7.359 2.577 ( 0.000 0.000 3.872) 3.872 2.684 ( 0.000 0.000 -1.957) 1.957 2.696 ( 0.000 0.000 -1.808) 1.808 2.744 ( 0.000 0.000 -2.546) 2.546 3.872 ( 0.000 0.000 4.630) 4.630 4.185 ( 0.000 0.000 -9.120) 9.120 4.591 ( 0.000 0.000 0.267) 0.267 4.603 ( 0.000 0.000 -0.251) 0.251 5.329 ( 0.000 0.000 0.200) 0.200 5.344 ( 0.000 0.000 -0.308) 0.308 5.359 ( 0.000 0.000 2.548) 2.548 5.473 ( 0.000 0.000 -2.629) 2.629 5.685 ( 0.000 0.000 0.962) 0.962 5.733 ( 0.000 0.000 -1.055) 1.055 5.831 ( 0.000 0.000 3.711) 3.711 5.900 ( 0.000 0.000 -0.256) 0.256 6.928 ( 0.000 0.000 1.270) 1.270 6.987 ( 0.000 0.000 -1.203) 1.203 7.441 ( 0.000 0.000 8.473) 8.473 7.831 ( 0.000 0.000 -7.768) 7.768 11.380 ( 0.000 0.000 2.394) 2.394 11.534 ( 0.000 0.000 -3.729) 3.729 11.837 ( 0.000 0.000 6.107) 6.107 11.946 ( 0.000 0.000 8.479) 8.479 12.239 ( 0.000 0.000 -13.821) 13.821 12.332 ( 0.000 0.000 -8.109) 8.109 12.887 ( 0.000 0.000 14.047) 14.047 13.285 ( 0.000 0.000 -5.720) 5.720 13.778 ( 0.000 0.000 2.167) 2.167 13.861 ( 0.000 0.000 -1.386) 1.386 14.749 ( 0.000 0.000 7.526) 7.526 15.150 ( 0.000 0.000 -9.659) 9.659 15.968 ( 0.000 0.000 2.382) 2.382 16.076 ( 0.000 0.000 -2.444) 2.444 17.431 ( 0.000 0.000 1.001) 1.001 17.434 ( 0.000 0.000 1.833) 1.833 17.472 ( 0.000 0.000 -0.949) 0.949 17.525 ( 0.000 0.000 -2.009) 2.009 17.959 ( 0.000 0.000 11.155) 11.155 18.543 ( 0.000 0.000 -15.260) 15.260 19.600 ( 0.000 0.000 10.453) 10.453 19.803 ( 0.000 0.000 13.720) 13.720 20.151 ( 0.000 0.000 -12.648) 12.648 20.300 ( 0.000 0.000 0.634) 0.634 20.370 ( 0.000 0.000 -1.634) 1.634 20.371 ( 0.000 0.000 -14.626) 14.626 20.919 ( 0.000 0.000 15.057) 15.057 21.447 ( 0.000 0.000 -10.279) 10.279 22.426 ( 0.000 0.000 8.595) 8.595 22.668 ( 0.000 0.000 -2.391) 2.391 23.730 ( 0.000 0.000 10.329) 10.329 23.860 ( 0.000 0.000 5.846) 5.846 24.242 ( 0.000 0.000 -13.696) 13.696 24.308 ( 0.000 0.000 -15.174) 15.174 24.639 ( 0.000 0.000 7.171) 7.171 24.802 ( 0.000 0.000 -1.916) 1.916 25.079 ( 0.000 0.000 12.102) 12.102 25.449 ( 0.000 0.000 -5.855) 5.855 28.090 ( 0.000 0.000 6.509) 6.509 28.415 ( 0.000 0.000 -7.542) 7.542 28.805 ( 0.000 0.000 1.026) 1.026 28.810 ( 0.000 0.000 2.100) 2.100 28.861 ( 0.000 0.000 -1.329) 1.329 28.870 ( 0.000 0.000 -0.835) 0.835 29.782 ( 0.000 0.000 7.389) 7.389 30.024 ( 0.000 0.000 1.456) 1.456 30.087 ( 0.000 0.000 -1.203) 1.203 30.201 ( 0.000 0.000 -11.247) 11.247 31.016 ( 0.000 0.000 6.040) 6.040 31.184 ( 0.000 0.000 -2.038) 2.038 33.595 ( 0.000 0.000 0.460) 0.460 33.631 ( 0.000 0.000 -1.091) 1.091 34.343 ( 0.000 0.000 3.439) 3.439 34.493 ( 0.000 0.000 -2.909) 2.909 35.448 ( 0.000 0.000 2.666) 2.666 35.600 ( 0.000 0.000 -4.511) 4.511 35.734 ( 0.000 0.000 2.280) 2.280 35.775 ( 0.000 0.000 -0.277) 0.277 36.644 ( 0.000 0.000 0.656) 0.656 36.675 ( 0.000 0.000 -0.634) 0.634 41.337 ( 0.000 0.000 0.692) 0.692 41.369 ( 0.000 0.000 -0.671) 0.671 ======================= Grid point 86 (27/75) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 15.205 -4.808 16.167) 22.708 0.700 ( 15.517 -6.921 16.059) 23.379 1.099 ( 26.431 -9.457 19.817) 34.362 1.296 ( 6.870 -1.432 -9.867) 12.109 1.333 ( 3.792 -1.856 -12.925) 13.597 1.471 ( 0.093 0.232 2.723) 2.735 1.515 ( 3.501 -0.719 -2.085) 4.138 1.689 ( 1.286 0.940 -1.587) 2.249 1.745 ( -0.002 -1.236 1.160) 1.695 1.940 ( 1.106 0.235 6.948) 7.039 1.989 ( 6.696 -1.759 7.218) 10.002 2.048 ( 2.260 -0.813 -4.012) 4.675 2.127 ( 2.687 -1.341 -11.550) 11.934 2.201 ( 2.514 -0.587 -2.377) 3.509 2.221 ( 1.005 1.075 1.529) 2.122 2.350 ( 1.365 1.325 -3.780) 4.232 2.407 ( -1.257 0.759 -0.779) 1.663 2.432 ( -1.016 1.331 -1.502) 2.249 2.495 ( -3.015 1.267 4.738) 5.757 2.523 ( -2.011 -1.675 3.474) 4.349 2.589 ( 0.769 -0.093 4.683) 4.746 2.657 ( -3.025 0.141 -2.033) 3.647 2.665 ( -2.942 -0.332 -1.837) 3.485 2.715 ( -2.889 0.129 -2.012) 3.522 3.680 ( -6.629 3.481 15.160) 16.908 4.174 ( -2.236 -0.731 -11.090) 11.337 4.668 ( 7.891 0.023 0.762) 7.928 4.755 ( 10.610 1.931 -5.185) 11.966 5.290 ( -1.462 1.384 1.494) 2.507 5.333 ( -1.976 -2.142 -0.728) 3.003 5.390 ( 3.341 -0.068 1.984) 3.886 5.469 ( -0.441 -0.398 -0.821) 1.013 5.706 ( 1.612 0.231 1.056) 1.941 5.805 ( 1.441 1.278 -0.154) 1.932 5.817 ( -0.092 -0.222 -1.154) 1.179 5.876 ( -1.741 0.493 -0.981) 2.058 6.894 ( -4.183 0.138 1.392) 4.411 6.935 ( -5.453 -0.140 -0.423) 5.471 7.456 ( 1.375 0.229 7.162) 7.296 7.805 ( -2.939 -0.284 -7.198) 7.780 11.369 ( -0.822 0.707 2.001) 2.276 11.490 ( -2.145 5.612 -2.409) 6.473 11.734 ( -7.545 -1.046 2.672) 8.072 11.798 ( -9.502 -4.911 0.461) 10.706 12.446 ( 6.020 1.635 2.189) 6.611 12.594 ( 23.397 1.114 -5.498) 24.060 12.827 ( -9.937 4.308 24.385) 26.682 13.245 ( -5.189 4.781 -3.478) 7.867 13.281 ( 9.057 5.733 20.161) 22.834 13.749 ( 4.536 5.270 -3.498) 7.783 14.862 ( 11.223 0.814 8.483) 14.092 15.611 ( 18.381 10.824 -34.121) 40.240 16.045 ( 7.407 4.476 -0.335) 8.661 16.135 ( 7.420 1.918 -3.433) 8.398 17.337 ( -12.894 3.091 0.627) 13.274 17.452 ( 3.711 1.779 -5.662) 6.999 17.530 ( 5.486 -2.648 1.404) 6.252 17.580 ( 8.780 -1.891 -1.170) 9.057 18.095 ( 13.175 0.476 14.167) 19.352 18.673 ( 12.006 -0.157 -11.493) 16.621 18.891 ( -32.500 18.093 37.726) 52.980 19.435 ( -25.587 -6.793 -1.079) 26.495 19.786 ( -5.849 -16.209 6.936) 18.576 20.148 ( -1.884 3.908 -12.359) 13.099 20.502 ( 9.532 5.270 5.540) 12.219 20.678 ( 4.464 -1.672 0.999) 4.871 21.586 ( 21.248 3.289 -12.325) 24.783 21.715 ( 22.808 4.282 -11.813) 26.040 22.477 ( 11.915 15.292 13.678) 23.725 22.894 ( 5.130 -21.610 -10.097) 24.398 23.796 ( 6.018 6.628 11.797) 14.809 24.002 ( 5.655 -17.662 -0.741) 18.560 24.300 ( -1.511 -1.130 -13.791) 13.920 24.388 ( 12.819 -0.733 -17.612) 21.796 24.877 ( 18.542 3.022 -7.177) 20.111 24.896 ( 10.077 0.864 -1.052) 10.168 25.031 ( -1.097 0.697 9.487) 9.576 25.378 ( -7.939 -0.519 -5.774) 9.831 27.383 ( -46.706 39.843 54.548) 82.124 28.097 ( -6.819 7.130 2.794) 10.255 28.265 ( -15.836 4.439 2.074) 16.577 28.678 ( -15.919 -20.851 -5.813) 26.870 28.973 ( 10.702 0.199 0.575) 10.719 29.077 ( 3.438 -18.646 -4.811) 19.562 29.694 ( -5.824 0.854 2.915) 6.568 29.839 ( -13.732 -0.557 -2.069) 13.898 30.388 ( 11.901 4.101 -6.498) 14.166 30.446 ( 13.276 2.976 -8.230) 15.901 30.945 ( -1.824 4.492 9.881) 11.007 31.214 ( 0.560 -2.498 -5.554) 6.115 33.550 ( -2.752 0.885 1.683) 3.345 33.611 ( -4.098 -2.135 -1.720) 4.930 34.297 ( -5.272 1.669 7.279) 9.142 34.346 ( 0.437 -0.114 1.687) 1.746 35.329 ( -11.753 0.523 2.302) 11.988 35.498 ( -18.254 -16.509 -5.356) 25.188 35.675 ( -2.678 -1.155 0.302) 2.932 35.700 ( -4.776 -1.957 -1.417) 5.352 37.152 ( 40.467 -1.148 2.219) 40.544 37.520 ( 50.621 1.019 -24.936) 56.439 41.121 ( -15.684 3.066 8.404) 18.056 41.222 ( -11.287 1.013 -0.223) 11.335 ======================= Grid point 87 (28/75) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 14.766 -5.632 8.537) 17.962 1.047 ( 15.228 -7.982 9.145) 19.473 1.392 ( 3.269 -0.414 -5.500) 6.412 1.441 ( 3.009 -0.295 -1.223) 3.262 1.482 ( 7.803 -0.705 -5.571) 9.614 1.566 ( 0.810 -0.186 -3.220) 3.326 1.689 ( 15.997 -6.102 3.559) 17.488 1.779 ( 11.351 -1.913 1.550) 11.615 1.837 ( 9.950 -5.284 2.800) 11.608 1.990 ( 3.663 -0.390 5.075) 6.270 2.078 ( 1.809 -0.352 -1.152) 2.173 2.128 ( 3.900 -1.288 2.436) 4.775 2.219 ( 4.216 2.395 0.663) 4.894 2.235 ( 3.162 -0.295 -2.442) 4.006 2.260 ( 1.830 -0.111 -1.345) 2.274 2.362 ( -2.430 2.329 0.606) 3.420 2.385 ( 3.009 0.322 -2.575) 3.974 2.394 ( -0.980 0.637 -2.524) 2.782 2.427 ( -2.516 1.249 1.958) 3.424 2.477 ( -4.042 -0.897 1.246) 4.324 2.584 ( -4.173 0.059 -1.594) 4.467 2.596 ( -2.717 -1.950 -1.175) 3.545 2.626 ( 0.707 -1.742 0.493) 1.943 2.644 ( -4.345 -0.823 -0.831) 4.499 3.625 ( 1.070 0.484 11.334) 11.394 4.122 ( -3.247 0.681 -11.197) 11.678 4.863 ( 12.388 0.159 0.754) 12.412 4.934 ( 10.390 1.769 -2.941) 10.943 5.261 ( -1.005 0.648 0.845) 1.464 5.303 ( -2.374 -1.024 -1.616) 3.049 5.471 ( 0.162 0.445 3.641) 3.672 5.488 ( 7.345 0.716 1.218) 7.480 5.723 ( 0.943 1.205 0.223) 1.546 5.777 ( -3.925 0.019 -0.470) 3.953 5.796 ( 0.752 1.205 1.343) 1.955 5.853 ( -0.501 1.438 -2.731) 3.127 6.759 ( -9.810 0.944 1.869) 10.031 6.801 ( -9.308 -1.135 -0.071) 9.377 7.477 ( 1.003 0.579 4.816) 4.953 7.732 ( -4.797 0.015 -5.673) 7.429 11.342 ( -1.105 1.227 1.117) 1.993 11.398 ( -1.713 6.123 -0.263) 6.364 11.636 ( -3.791 -1.844 1.295) 4.410 11.720 ( -4.538 -6.407 -2.683) 8.297 12.240 ( -13.359 1.092 17.373) 21.943 12.806 ( -10.178 8.177 -9.976) 16.431 13.022 ( 19.116 -1.908 7.805) 20.736 13.228 ( 22.278 3.071 2.719) 22.652 13.776 ( 37.652 3.450 3.465) 37.968 13.958 ( 20.581 5.319 -3.973) 21.625 15.110 ( 15.595 1.297 5.257) 16.508 15.674 ( 1.202 11.846 -22.726) 25.656 16.122 ( 5.154 3.441 3.164) 6.959 16.293 ( 9.630 1.007 -5.916) 11.346 17.027 ( -15.386 4.762 8.389) 18.160 17.521 ( 5.167 5.689 -15.859) 17.623 17.700 ( 7.916 -5.881 2.067) 10.076 17.794 ( 11.429 -2.926 -2.068) 11.977 18.272 ( -5.844 -2.106 23.590) 24.394 18.525 ( 6.260 2.719 18.795) 19.996 18.914 ( 11.281 -0.520 -3.602) 11.854 19.049 ( -20.421 -4.718 -10.065) 23.250 19.870 ( 3.720 -9.028 -3.197) 10.274 20.080 ( -1.833 3.344 -11.308) 11.934 20.596 ( 6.887 7.204 11.259) 15.036 20.794 ( 5.894 -2.303 2.866) 6.947 21.812 ( 8.169 -3.077 -6.422) 10.838 21.956 ( 6.481 3.369 -13.620) 15.455 22.732 ( 18.118 -3.693 16.520) 24.796 23.083 ( 3.894 -8.914 -2.191) 9.971 23.837 ( 4.222 7.415 14.375) 16.716 24.197 ( -1.755 -8.220 -4.846) 9.702 24.330 ( 9.147 0.384 -6.262) 11.092 24.678 ( 16.430 -0.365 -15.896) 22.864 24.825 ( -3.063 12.625 6.604) 14.573 25.083 ( 0.938 7.421 -5.566) 9.324 25.232 ( 5.425 0.225 1.198) 5.560 25.324 ( 17.207 -3.153 -9.902) 20.101 26.560 ( -23.118 15.158 40.739) 49.233 27.591 ( -25.877 21.825 -14.009) 36.636 28.144 ( -5.057 -8.362 8.597) 13.016 28.558 ( -15.323 -19.574 -8.990) 26.434 29.248 ( 17.503 -0.752 1.169) 17.558 29.344 ( 12.408 -7.956 -2.475) 14.946 29.550 ( -7.718 1.756 0.258) 7.919 29.642 ( -7.845 -3.291 -0.160) 8.509 30.468 ( 1.924 2.296 -0.601) 3.055 30.550 ( 1.391 3.487 -5.587) 6.731 30.950 ( 4.393 1.332 9.054) 10.151 31.232 ( 0.924 2.046 -5.012) 5.492 33.481 ( -4.064 0.832 1.020) 4.272 33.522 ( -5.886 0.095 -0.878) 5.952 34.273 ( 1.232 -1.113 3.822) 4.167 34.370 ( 2.151 -0.242 -0.727) 2.283 35.073 ( -14.450 -0.996 3.330) 14.862 35.252 ( -18.203 -8.425 -4.110) 20.475 35.642 ( -1.745 -0.410 -0.112) 1.796 35.658 ( -1.490 -1.025 -0.450) 1.864 37.969 ( 43.472 -1.684 3.982) 43.686 38.296 ( 37.642 2.184 -11.816) 39.514 40.814 ( -16.773 0.734 4.724) 17.441 40.931 ( -18.415 0.962 -1.220) 18.480 ======================= Grid point 88 (29/75) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 7.074 -3.624 4.888) 9.331 1.365 ( 10.225 -4.525 2.676) 11.498 1.423 ( -0.093 0.687 1.807) 1.936 1.504 ( 6.779 -3.221 -0.506) 7.522 1.554 ( -0.184 0.272 -2.144) 2.169 1.697 ( 11.624 -0.574 -5.376) 12.820 1.871 ( 7.794 -1.882 -0.657) 8.044 1.967 ( 7.700 -1.792 -3.754) 8.752 2.061 ( 3.160 -0.202 2.150) 3.827 2.100 ( 0.744 -0.055 -0.387) 0.840 2.126 ( 4.134 -0.358 2.578) 4.885 2.168 ( 0.872 0.203 1.091) 1.411 2.222 ( -3.023 0.494 0.550) 3.112 2.231 ( -1.442 3.442 1.907) 4.191 2.286 ( -2.811 2.539 0.153) 3.791 2.346 ( -3.937 -0.595 -0.672) 4.038 2.357 ( -2.539 1.723 -0.293) 3.082 2.380 ( 10.410 -1.682 3.218) 11.025 2.427 ( -1.310 0.438 -1.771) 2.246 2.491 ( 0.685 -0.689 -1.574) 1.850 2.502 ( -0.484 -1.708 0.554) 1.860 2.561 ( -1.847 -2.348 -0.718) 3.073 2.604 ( 0.203 -3.774 1.546) 4.083 2.722 ( 5.406 -4.090 -3.221) 7.505 3.684 ( 4.830 -0.485 7.563) 8.987 4.042 ( -4.860 0.671 -7.935) 9.329 5.087 ( 10.118 0.965 0.063) 10.164 5.116 ( 10.914 0.130 -1.202) 10.981 5.239 ( -0.886 0.336 0.711) 1.185 5.270 ( -1.498 -0.424 -1.446) 2.125 5.440 ( -3.072 0.452 5.694) 6.486 5.611 ( 0.236 0.482 -2.865) 2.915 5.712 ( 4.896 1.049 2.816) 5.745 5.755 ( 1.079 0.723 0.146) 1.307 5.825 ( -0.003 1.245 -1.061) 1.635 5.860 ( 7.738 2.052 -1.934) 8.236 6.529 ( -13.606 0.932 2.478) 13.861 6.603 ( -13.058 -1.705 -0.772) 13.191 7.486 ( 0.729 0.641 2.627) 2.800 7.636 ( -4.946 0.391 -3.610) 6.136 11.315 ( -0.275 1.953 0.883) 2.161 11.343 ( -0.547 3.001 0.929) 3.189 11.632 ( 1.341 -3.401 0.087) 3.657 11.711 ( -1.512 -5.085 -2.954) 6.072 12.033 ( -9.098 -0.649 10.155) 13.650 12.432 ( -16.951 9.877 -7.226) 20.907 13.415 ( 19.789 -3.391 9.096) 22.041 13.671 ( 20.678 0.658 1.099) 20.718 14.321 ( 22.845 5.608 -1.567) 23.576 14.491 ( 37.275 4.088 -4.005) 37.712 15.391 ( 11.992 1.242 -2.692) 12.353 15.550 ( -1.318 6.563 -10.966) 12.847 16.187 ( 3.011 0.550 6.180) 6.897 16.445 ( 4.881 0.662 -5.762) 7.580 16.727 ( -10.300 4.089 14.858) 18.536 17.464 ( -7.417 8.134 -18.536) 21.559 17.885 ( 5.953 -6.525 2.824) 9.273 18.028 ( 10.561 -3.189 -2.538) 11.321 18.112 ( -6.777 -3.468 15.788) 17.527 18.715 ( -10.289 -0.990 -4.445) 11.252 18.795 ( 8.291 -1.726 8.447) 11.961 19.072 ( 4.575 -0.622 3.572) 5.837 20.014 ( 3.627 -3.187 -12.225) 13.144 20.047 ( 2.807 4.490 -12.208) 13.307 20.689 ( 7.207 0.333 15.793) 17.363 20.909 ( 4.494 -0.473 4.417) 6.319 21.973 ( 7.020 0.503 -8.603) 11.115 22.027 ( 1.680 -6.774 -9.256) 11.592 23.073 ( 12.321 -7.878 9.097) 17.223 23.230 ( 4.396 -10.088 0.003) 11.005 23.823 ( -0.000 6.523 19.263) 20.338 24.134 ( -5.904 1.985 -1.068) 6.320 24.443 ( 3.161 10.821 -8.030) 13.841 24.736 ( -11.879 4.028 -14.073) 18.852 24.807 ( 11.266 4.096 8.149) 14.495 25.118 ( 18.940 2.467 -7.154) 20.396 25.452 ( 9.152 3.279 5.157) 11.004 25.653 ( 15.983 -0.829 -5.480) 16.917 26.172 ( -10.149 4.965 22.838) 25.479 26.954 ( -25.881 13.592 -13.869) 32.356 28.126 ( -2.762 -5.187 5.073) 7.763 28.406 ( -14.744 -13.039 -7.005) 20.892 29.388 ( -4.148 0.661 0.038) 4.201 29.414 ( -5.285 1.135 -0.741) 5.456 29.658 ( 20.139 -0.999 1.997) 20.263 29.769 ( 13.689 -7.301 -2.547) 15.722 30.462 ( -1.224 -0.085 0.806) 1.468 30.508 ( -3.438 -0.281 -1.532) 3.775 31.023 ( 3.566 1.229 4.901) 6.184 31.205 ( -1.092 4.619 -3.133) 5.687 33.390 ( -4.342 1.317 0.483) 4.563 33.406 ( -5.589 0.899 -0.213) 5.665 34.333 ( 3.891 -1.447 2.135) 4.668 34.432 ( 4.245 -0.215 -2.238) 4.803 34.829 ( -12.149 -0.565 3.840) 12.754 34.982 ( -15.223 -3.232 -2.713) 15.797 35.623 ( -0.733 -0.453 0.193) 0.883 35.641 ( -1.138 -0.699 -0.504) 1.428 38.752 ( 38.925 -1.218 3.259) 39.080 38.946 ( 34.049 1.271 -5.129) 34.457 40.457 ( -21.549 0.281 2.222) 21.665 40.539 ( -22.931 0.338 -1.344) 22.972 ======================= Grid point 89 (30/75) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 3.088 -1.764 3.206) 4.788 1.399 ( -1.437 0.990 2.397) 2.965 1.479 ( 2.610 -1.068 -1.475) 3.183 1.522 ( -1.569 0.465 -2.184) 2.730 1.762 ( 12.313 -5.031 2.375) 13.511 1.907 ( 9.585 0.306 -3.603) 10.244 1.994 ( -2.786 1.919 1.167) 3.578 2.037 ( 0.737 -0.469 -0.242) 0.906 2.065 ( -4.266 0.492 -1.193) 4.456 2.085 ( 1.756 -0.162 -1.129) 2.093 2.145 ( 1.319 -0.555 1.753) 2.263 2.173 ( -1.311 1.974 0.882) 2.529 2.187 ( 0.519 0.055 0.907) 1.046 2.189 ( 2.320 0.417 0.114) 2.360 2.223 ( -2.125 1.112 0.358) 2.425 2.265 ( -4.010 -2.148 -0.715) 4.605 2.310 ( -0.651 2.550 -0.508) 2.680 2.338 ( -5.147 1.227 -2.235) 5.744 2.470 ( 1.898 0.702 1.374) 2.446 2.495 ( -1.399 -1.917 1.019) 2.582 2.550 ( 1.464 -0.456 -1.678) 2.273 2.563 ( -0.425 -1.685 -1.708) 2.437 2.754 ( 7.618 -2.881 2.185) 8.432 2.821 ( 0.988 -1.813 -0.793) 2.211 3.799 ( 6.715 -0.617 2.937) 7.355 3.930 ( -6.526 0.551 -2.646) 7.063 5.204 ( 2.859 0.596 0.752) 3.016 5.222 ( -0.553 0.036 0.339) 0.650 5.268 ( 3.297 -0.151 0.509) 3.339 5.318 ( 5.597 -0.078 -0.899) 5.669 5.374 ( -0.670 -0.092 2.869) 2.948 5.505 ( -7.741 0.246 -2.296) 8.078 5.765 ( 0.753 0.195 -0.084) 0.782 5.781 ( -0.349 0.947 -0.748) 1.256 5.947 ( 13.623 0.339 1.772) 13.742 6.050 ( 11.874 2.102 -3.152) 12.464 6.261 ( -12.841 0.391 3.481) 13.310 6.351 ( -14.950 -1.918 -0.946) 15.102 7.503 ( 1.742 0.250 0.612) 1.863 7.552 ( -3.576 0.263 -1.442) 3.865 11.306 ( 0.662 1.123 1.278) 1.825 11.318 ( -0.720 0.641 1.356) 1.663 11.724 ( 3.969 -2.452 -2.713) 5.397 11.742 ( 0.840 -3.562 -2.775) 4.593 11.923 ( -1.930 -2.051 5.888) 6.527 12.081 ( -12.214 8.123 -1.785) 14.777 13.764 ( 13.121 -3.417 8.120) 15.804 13.893 ( 2.734 1.216 4.969) 5.800 14.664 ( 17.174 1.389 -6.726) 18.497 14.884 ( 1.835 6.377 -14.567) 16.007 15.481 ( 13.516 -1.053 2.417) 13.771 15.678 ( 2.250 -0.423 -9.817) 10.080 16.212 ( -0.025 -1.686 13.003) 13.112 16.310 ( -9.446 4.287 16.556) 19.538 16.792 ( 14.227 -1.449 -5.604) 15.359 17.144 ( -18.777 4.602 -12.257) 22.891 18.010 ( 2.158 -5.701 3.613) 7.086 18.061 ( -0.280 2.655 6.404) 6.938 18.248 ( 10.424 -2.143 -5.862) 12.150 18.468 ( -13.022 -1.051 -9.338) 16.058 19.002 ( 8.670 0.101 12.420) 15.147 19.100 ( -1.980 -0.305 8.833) 9.057 20.050 ( 0.039 -4.048 -11.190) 11.900 20.078 ( 2.363 6.471 -14.436) 15.995 20.846 ( 6.470 -4.157 12.739) 14.880 20.943 ( -0.597 2.287 7.709) 8.063 22.066 ( 2.869 -2.168 -9.150) 9.831 22.097 ( 0.864 -0.763 -9.585) 9.654 23.314 ( 6.738 -7.702 5.316) 11.532 23.385 ( 2.449 -5.558 -0.837) 6.131 23.771 ( -0.376 -2.961 19.813) 20.037 23.940 ( -7.868 12.695 7.900) 16.896 24.413 ( 6.330 12.803 -12.102) 18.720 24.499 ( -10.826 -4.745 -14.166) 18.449 25.080 ( 15.754 -1.273 11.429) 19.505 25.338 ( -5.668 3.352 10.037) 12.004 25.553 ( 14.806 -0.924 -5.107) 15.689 25.796 ( -3.893 2.469 -5.093) 6.870 26.166 ( 9.846 -2.281 4.498) 11.062 26.456 ( -17.985 6.702 -7.820) 20.725 28.139 ( 2.424 -0.448 1.174) 2.730 28.238 ( -10.448 -5.975 -3.086) 12.426 29.322 ( -1.760 -0.163 -1.228) 2.152 29.332 ( -2.380 0.775 -1.379) 2.857 29.993 ( 13.471 1.838 1.358) 13.663 30.035 ( 6.793 -4.062 -0.421) 7.926 30.431 ( -2.029 -0.833 0.581) 2.269 30.443 ( -3.890 -1.807 0.089) 4.290 31.065 ( 1.752 -0.984 1.736) 2.656 31.128 ( -2.528 4.543 -0.933) 5.282 33.318 ( -1.838 0.960 0.230) 2.086 33.321 ( -2.542 0.235 0.104) 2.555 34.436 ( 5.818 -1.051 0.967) 5.991 34.513 ( 2.029 0.241 -3.204) 3.800 34.657 ( -3.931 -0.018 3.864) 5.512 34.754 ( -10.618 -0.758 -1.087) 10.700 35.619 ( 0.074 -0.167 0.028) 0.184 35.627 ( -0.726 -0.271 -0.273) 0.821 39.431 ( 33.167 -0.775 2.145) 33.246 39.542 ( 30.676 0.647 -2.555) 30.789 40.000 ( -27.285 0.462 1.678) 27.341 40.076 ( -26.828 -0.243 -1.519) 26.873 ======================= Grid point 95 (31/75) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 14.658 -0.000 10.363) 17.952 0.972 ( 18.903 -0.000 10.326) 21.539 1.388 ( 2.961 -0.000 -6.309) 6.969 1.438 ( 4.764 -0.000 -3.283) 5.785 1.481 ( 7.125 -0.000 -4.687) 8.529 1.565 ( 0.951 -0.000 -3.190) 3.328 1.624 ( 24.023 -0.000 7.730) 25.236 1.777 ( 7.721 -0.000 -2.541) 8.129 1.788 ( 8.420 -0.000 5.401) 10.003 1.989 ( 3.831 -0.000 5.167) 6.432 2.074 ( 2.322 -0.000 -0.915) 2.496 2.118 ( 4.061 -0.000 2.552) 4.796 2.219 ( 7.230 -0.000 -6.643) 9.818 2.247 ( 1.526 -0.000 2.520) 2.945 2.258 ( 3.192 -0.000 -1.783) 3.656 2.384 ( -1.071 0.000 -0.157) 1.083 2.391 ( -1.450 0.000 1.358) 1.986 2.401 ( 0.944 -0.000 -3.984) 4.094 2.450 ( -4.692 0.000 2.612) 5.371 2.455 ( -1.860 0.000 0.560) 1.943 2.574 ( -3.656 0.000 -1.427) 3.925 2.587 ( -4.679 0.000 -1.808) 5.016 2.610 ( 0.232 -0.000 0.803) 0.836 2.639 ( -5.028 0.000 -1.096) 5.146 3.629 ( 0.090 -0.000 12.080) 12.080 4.126 ( -3.268 0.000 -10.651) 11.141 4.864 ( 12.476 -0.000 0.875) 12.506 4.950 ( 9.586 -0.000 -3.619) 10.246 5.267 ( -1.319 0.000 0.720) 1.503 5.291 ( -1.669 0.000 -1.357) 2.151 5.474 ( 0.033 -0.000 3.625) 3.626 5.494 ( 7.555 -0.000 1.308) 7.667 5.734 ( 1.517 -0.000 0.251) 1.538 5.774 ( -4.635 0.000 -0.265) 4.642 5.807 ( 1.070 -0.000 0.932) 1.419 5.865 ( -0.708 0.000 -2.975) 3.059 6.770 ( -9.159 0.000 1.443) 9.272 6.788 ( -10.079 0.000 0.491) 10.091 7.482 ( 1.111 -0.000 4.787) 4.914 7.732 ( -4.538 0.000 -5.463) 7.102 11.350 ( -1.455 0.000 1.817) 2.328 11.465 ( -2.924 0.000 -2.866) 4.094 11.624 ( -3.687 0.000 1.014) 3.824 11.650 ( -3.980 0.000 -0.133) 3.982 12.251 ( -15.021 0.000 19.490) 24.607 12.873 ( -8.352 0.000 -13.236) 15.651 13.006 ( 18.816 -0.000 10.847) 21.718 13.257 ( 18.957 -0.000 3.335) 19.248 13.803 ( 37.411 -0.000 3.921) 37.616 14.002 ( 19.265 -0.000 -4.701) 19.830 15.120 ( 15.325 -0.000 5.888) 16.417 15.781 ( -1.185 0.000 -27.069) 27.095 16.156 ( 2.431 -0.000 0.848) 2.574 16.288 ( 8.575 -0.000 -4.551) 9.708 17.065 ( -16.327 0.000 8.530) 18.421 17.568 ( 6.489 -0.000 -15.537) 16.838 17.656 ( 8.614 -0.000 2.747) 9.041 17.786 ( 12.555 -0.000 -4.689) 13.402 18.256 ( -7.899 0.000 23.423) 24.719 18.564 ( 4.309 -0.000 20.126) 20.583 18.902 ( 8.504 -0.000 -0.524) 8.521 19.004 ( -17.384 0.000 -12.058) 21.157 19.777 ( 8.054 -0.000 3.309) 8.707 20.116 ( -1.897 0.000 -11.136) 11.297 20.707 ( 8.903 -0.000 5.371) 10.398 20.733 ( 2.543 -0.000 4.350) 5.039 21.768 ( 6.808 -0.000 -2.501) 7.252 21.996 ( 2.681 -0.000 -16.754) 16.967 22.716 ( 13.509 -0.000 14.922) 20.128 22.992 ( 7.374 -0.000 -5.414) 9.148 23.953 ( 3.908 -0.000 7.752) 8.681 24.068 ( 5.555 -0.000 4.957) 7.445 24.334 ( 7.573 -0.000 -7.144) 10.411 24.675 ( 16.601 -0.000 -16.821) 23.633 24.936 ( -5.101 0.000 7.859) 9.369 25.175 ( -10.149 0.000 -5.012) 11.319 25.182 ( 19.471 -0.000 0.678) 19.482 25.315 ( 18.771 -0.000 -11.533) 22.030 26.712 ( -32.293 0.000 46.359) 56.498 27.857 ( -34.601 0.000 -14.596) 37.554 28.073 ( -3.803 0.000 4.256) 5.707 28.298 ( -5.982 0.000 -5.364) 8.035 29.242 ( 17.718 -0.000 -0.009) 17.718 29.267 ( 17.084 -0.000 -1.074) 17.118 29.570 ( -7.270 0.000 2.063) 7.557 29.610 ( -10.103 0.000 0.582) 10.120 30.491 ( 0.727 -0.000 -1.245) 1.442 30.581 ( -0.330 0.000 -7.174) 7.181 30.961 ( 3.554 -0.000 8.946) 9.626 31.250 ( 2.264 -0.000 -6.229) 6.627 33.488 ( -4.006 0.000 1.054) 4.142 33.522 ( -5.129 0.000 -0.574) 5.161 34.264 ( 0.918 -0.000 4.590) 4.681 34.369 ( 2.216 -0.000 -0.411) 2.254 35.092 ( -15.203 0.000 0.552) 15.213 35.148 ( -12.593 0.000 -1.718) 12.710 35.639 ( -1.916 0.000 -0.395) 1.956 35.648 ( -1.026 0.000 -0.521) 1.151 37.955 ( 43.874 -0.000 4.143) 44.070 38.315 ( 36.905 -0.000 -13.869) 39.425 40.821 ( -17.417 0.000 5.117) 18.153 40.939 ( -18.822 0.000 -1.174) 18.858 ======================= Grid point 96 (32/75) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 8.969 -1.509 5.799) 10.786 1.311 ( 14.511 -1.893 4.930) 15.442 1.437 ( 0.096 0.992 1.375) 1.698 1.466 ( 5.083 -1.671 -1.091) 5.461 1.558 ( -0.893 0.147 -2.465) 2.626 1.697 ( 12.604 0.285 -7.517) 14.678 1.849 ( 7.812 -0.750 0.043) 7.848 1.943 ( 8.544 -0.983 -3.414) 9.253 2.062 ( 3.696 0.163 2.817) 4.650 2.098 ( 4.148 0.014 1.108) 4.294 2.108 ( 8.472 -1.365 2.786) 9.022 2.162 ( 0.571 -0.259 1.565) 1.686 2.231 ( -3.791 0.448 -0.263) 3.826 2.284 ( -1.031 2.698 1.528) 3.268 2.305 ( -5.102 0.286 0.183) 5.114 2.331 ( -2.064 -1.289 2.795) 3.706 2.374 ( 2.197 0.550 -0.336) 2.289 2.397 ( 4.941 2.399 0.431) 5.510 2.429 ( 0.297 -0.361 -2.087) 2.139 2.477 ( 4.176 -0.207 -1.040) 4.309 2.497 ( -4.643 0.087 -1.377) 4.844 2.518 ( -2.530 -2.392 -0.592) 3.532 2.556 ( -2.364 -1.888 1.441) 3.351 2.672 ( 5.537 -1.813 -3.589) 6.843 3.674 ( 4.221 -0.479 8.179) 9.217 4.045 ( -5.434 -0.041 -7.932) 9.615 5.102 ( 11.379 0.809 -0.340) 11.413 5.115 ( 9.249 -0.306 -0.996) 9.308 5.243 ( -1.228 0.106 0.458) 1.315 5.264 ( -1.374 -0.248 -1.350) 1.942 5.445 ( -3.134 0.171 5.824) 6.616 5.617 ( -0.678 0.243 -2.833) 2.923 5.724 ( 5.840 0.421 3.356) 6.748 5.762 ( 0.975 0.229 0.574) 1.154 5.840 ( -1.257 0.533 -1.552) 2.067 5.884 ( 8.148 0.783 -2.491) 8.556 6.549 ( -13.586 1.486 1.530) 13.752 6.575 ( -13.453 -1.757 0.340) 13.571 7.497 ( 0.819 0.486 2.610) 2.779 7.643 ( -4.629 0.324 -3.431) 5.771 11.319 ( -1.851 -0.156 1.750) 2.552 11.403 ( -1.975 2.767 -1.654) 3.780 11.598 ( 0.932 -0.797 0.866) 1.502 11.638 ( 0.360 -3.448 -0.946) 3.593 12.026 ( -9.425 -0.212 11.650) 14.987 12.548 ( -18.528 3.974 -11.187) 22.005 13.375 ( 19.203 -1.403 11.393) 22.372 13.682 ( 20.038 0.476 2.675) 20.222 14.388 ( 21.139 2.320 -2.124) 21.372 14.537 ( 38.967 1.474 -3.434) 39.145 15.409 ( 14.795 0.761 -3.337) 15.186 15.632 ( -10.820 3.043 -15.513) 19.157 16.187 ( 0.707 -0.275 5.293) 5.347 16.441 ( 6.412 -0.540 -6.281) 8.992 16.765 ( -13.903 0.933 17.405) 22.296 17.566 ( -9.810 3.558 -16.295) 19.350 17.820 ( 7.568 -1.756 3.979) 8.729 18.006 ( 10.491 -0.127 -3.231) 10.978 18.076 ( -1.884 -0.925 10.846) 11.047 18.675 ( -15.481 -2.409 -12.217) 19.868 18.803 ( 13.974 1.428 17.156) 22.173 19.047 ( 2.983 -1.659 5.646) 6.597 19.999 ( 12.113 0.704 -7.007) 14.011 20.107 ( 2.947 1.483 -9.938) 10.471 20.725 ( 0.821 4.307 8.542) 9.601 20.868 ( 4.776 -4.149 3.430) 7.196 21.955 ( 11.799 -1.478 -4.911) 12.865 21.984 ( 0.237 -0.343 -9.761) 9.769 22.952 ( 7.657 -4.898 9.756) 13.334 23.101 ( 3.315 -4.916 -1.907) 6.229 23.955 ( 0.068 8.786 11.800) 14.712 24.092 ( -3.992 -5.921 3.072) 7.774 24.526 ( 8.403 1.422 -5.967) 10.404 24.774 ( -11.911 0.861 -14.630) 18.885 24.889 ( 4.869 3.831 8.185) 10.266 25.154 ( 15.590 1.406 -4.803) 16.373 25.539 ( 14.419 6.716 2.106) 16.046 25.629 ( 16.252 -3.341 -3.223) 16.902 26.240 ( -17.053 2.858 25.359) 30.693 27.140 ( -34.356 7.827 -16.282) 38.816 28.064 ( 0.574 -2.083 3.202) 3.863 28.217 ( -7.747 -8.331 -3.757) 11.981 29.404 ( -4.912 1.056 -0.342) 5.036 29.427 ( -5.485 0.346 -1.125) 5.610 29.641 ( 20.568 -0.732 0.989) 20.605 29.662 ( 16.554 -4.558 0.562) 17.179 30.476 ( -1.326 0.959 -0.044) 1.637 30.514 ( -4.645 0.467 -2.371) 5.236 31.031 ( 2.435 -0.001 5.754) 6.248 31.257 ( -1.113 1.763 -4.540) 4.996 33.406 ( -4.402 0.516 0.433) 4.454 33.417 ( -5.698 0.358 -0.072) 5.709 34.317 ( 4.224 -0.562 2.819) 5.109 34.430 ( 4.395 -0.008 -2.035) 4.843 34.836 ( -11.579 1.094 2.125) 11.823 34.927 ( -12.677 -2.904 -1.654) 13.110 35.617 ( -0.604 -0.189 0.089) 0.639 35.632 ( -0.816 -0.292 -0.478) 0.990 38.737 ( 39.427 -0.501 3.624) 39.596 38.960 ( 33.286 0.486 -6.108) 33.845 40.461 ( -21.566 0.148 2.311) 21.690 40.542 ( -23.440 0.094 -1.307) 23.477 ======================= Grid point 97 (33/75) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 4.202 -1.115 3.856) 5.811 1.415 ( -1.089 0.973 1.974) 2.455 1.462 ( 3.284 -0.911 -1.224) 3.622 1.527 ( -1.337 0.204 -2.450) 2.799 1.699 ( 13.506 -2.766 3.714) 14.278 1.915 ( 10.422 0.461 -5.590) 11.836 1.992 ( 5.834 -0.900 0.810) 5.958 2.052 ( -3.870 1.238 -0.773) 4.136 2.074 ( -3.995 0.420 -0.395) 4.036 2.081 ( -0.647 0.046 -1.087) 1.266 2.140 ( 0.279 -0.115 1.520) 1.549 2.174 ( 2.060 -0.771 -0.236) 2.212 2.202 ( -2.096 1.258 1.254) 2.747 2.215 ( 0.033 1.930 -0.005) 1.930 2.232 ( -2.390 -0.050 1.042) 2.608 2.245 ( -3.774 -0.230 1.908) 4.235 2.350 ( -3.443 1.604 -2.121) 4.350 2.369 ( -3.300 2.929 -1.280) 4.594 2.445 ( -1.536 -2.763 0.663) 3.230 2.488 ( 2.107 0.408 1.037) 2.383 2.525 ( 0.891 -2.182 -2.181) 3.211 2.552 ( 3.159 0.014 -1.313) 3.421 2.710 ( 10.898 -2.411 2.378) 11.412 2.790 ( 3.742 -1.818 -1.127) 4.310 3.781 ( 6.155 -1.298 3.440) 7.169 3.928 ( -7.183 -0.530 -2.830) 7.739 5.215 ( 1.781 0.546 0.591) 1.955 5.225 ( 0.052 0.492 0.479) 0.688 5.258 ( 2.026 -1.030 0.030) 2.273 5.321 ( 8.380 0.353 -1.566) 8.532 5.372 ( -2.665 -0.081 3.848) 4.681 5.510 ( -7.386 0.344 -2.043) 7.671 5.769 ( 0.159 0.198 0.171) 0.306 5.794 ( -1.353 0.677 -0.951) 1.787 5.952 ( 13.330 0.250 1.937) 13.472 6.076 ( 10.812 1.123 -3.818) 11.521 6.272 ( -12.938 0.969 2.723) 13.257 6.320 ( -14.879 -1.975 0.201) 15.011 7.513 ( 1.765 0.809 0.617) 2.037 7.562 ( -3.401 0.795 -1.400) 3.762 11.286 ( -2.347 -1.422 2.286) 3.572 11.355 ( -1.165 1.826 -0.633) 2.257 11.676 ( 5.564 -2.352 -0.606) 6.071 11.701 ( 3.922 -2.153 -0.963) 4.577 11.901 ( -4.041 -0.769 6.141) 7.391 12.194 ( -14.589 5.472 -6.596) 16.920 13.708 ( 13.463 -2.970 10.327) 17.226 13.905 ( 3.426 0.389 6.199) 7.094 14.697 ( 13.434 2.201 -6.725) 15.183 15.002 ( 1.494 7.246 -16.985) 18.526 15.469 ( 10.408 -0.290 1.571) 10.530 15.649 ( 1.934 -2.909 -10.557) 11.120 16.171 ( -3.308 -2.728 10.888) 11.701 16.363 ( -10.917 2.200 20.464) 23.298 16.756 ( 11.926 -2.491 -7.532) 14.323 17.202 ( -22.481 2.382 -7.925) 23.956 17.949 ( 4.653 -1.982 5.677) 7.603 18.117 ( 4.437 3.297 -1.108) 5.638 18.227 ( 12.407 -0.304 -5.592) 13.613 18.451 ( -10.329 -1.126 -10.129) 14.510 18.991 ( 6.065 -0.517 14.308) 15.549 19.070 ( -2.135 -3.078 9.803) 10.494 20.073 ( 2.880 6.273 -7.533) 10.217 20.223 ( 7.231 8.493 -15.373) 18.994 20.737 ( 0.442 -6.364 11.577) 13.218 20.947 ( 0.542 -2.789 3.789) 4.736 22.015 ( 3.016 -0.359 -5.316) 6.123 22.191 ( 12.632 7.164 -9.071) 17.123 23.103 ( 1.484 -15.313 7.420) 17.080 23.224 ( 3.882 -10.615 -2.581) 11.593 23.828 ( -5.757 7.017 14.536) 17.137 24.034 ( -5.454 -0.694 8.279) 9.938 24.468 ( -16.810 0.456 -11.688) 20.479 24.573 ( 2.732 6.550 -11.866) 13.827 25.076 ( 13.822 0.341 12.145) 18.403 25.396 ( -2.012 3.153 7.226) 8.137 25.597 ( 11.635 5.999 -1.978) 13.239 25.880 ( 2.148 6.310 -4.199) 7.878 26.090 ( 2.734 -6.092 6.981) 9.660 26.521 ( -26.702 1.563 -11.897) 29.274 28.132 ( 4.801 -0.801 -0.051) 4.868 28.153 ( -2.417 -3.870 -0.686) 4.614 29.318 ( -2.801 -0.080 -0.716) 2.892 29.346 ( -2.287 0.713 -2.036) 3.144 29.956 ( 7.833 -4.628 1.357) 9.198 30.000 ( 13.804 -0.519 -0.421) 13.821 30.444 ( -0.951 1.090 0.374) 1.494 30.452 ( 1.457 2.516 0.070) 2.908 31.039 ( -1.761 -1.888 3.441) 4.302 31.182 ( -4.906 2.223 -2.707) 6.028 33.324 ( -3.498 0.088 0.319) 3.514 33.331 ( -2.627 0.562 0.030) 2.687 34.424 ( 6.621 -0.426 1.460) 6.793 34.520 ( 3.578 0.567 -3.357) 4.939 34.658 ( -4.802 0.261 3.190) 5.771 34.733 ( -9.618 -1.573 -0.710) 9.772 35.617 ( 0.368 -0.127 -0.001) 0.389 35.623 ( -0.375 -0.184 -0.241) 0.482 39.421 ( 33.545 -0.453 2.471) 33.639 39.550 ( 30.240 0.304 -2.983) 30.388 40.007 ( -27.017 0.416 1.421) 27.057 40.071 ( -27.290 -0.319 -1.268) 27.321 ======================= Grid point 98 (34/75) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -1.600 1.208 2.563) 3.254 1.387 ( 1.488 -0.147 3.050) 3.396 1.494 ( -1.829 0.749 -1.930) 2.763 1.514 ( 1.741 -0.539 -1.867) 2.610 1.849 ( -10.347 5.461 1.090) 11.750 1.910 ( -6.476 0.674 -1.153) 6.613 1.951 ( 5.727 -2.647 2.269) 6.704 2.037 ( -1.890 -0.735 -0.898) 2.218 2.073 ( 2.658 1.191 -2.177) 3.636 2.079 ( -0.233 -0.997 -0.636) 1.205 2.142 ( -2.113 -0.740 1.611) 2.758 2.161 ( -0.879 -0.497 0.247) 1.040 2.169 ( -2.702 -0.250 1.070) 2.917 2.196 ( 0.143 -1.524 0.599) 1.644 2.211 ( -0.605 1.289 -0.277) 1.451 2.286 ( 1.074 0.316 -0.154) 1.130 2.294 ( 4.658 0.070 -2.307) 5.198 2.336 ( 1.958 1.331 -1.762) 2.951 2.446 ( -0.082 -1.958 2.254) 2.987 2.520 ( 0.799 1.051 0.079) 1.323 2.553 ( 1.235 0.021 -1.347) 1.827 2.588 ( 1.222 1.374 -1.357) 2.285 2.794 ( -3.673 2.069 1.729) 4.557 2.843 ( 2.140 0.887 -0.474) 2.364 3.796 ( -7.316 -0.904 2.539) 7.797 3.909 ( 5.801 -1.944 -2.284) 6.530 5.199 ( -2.938 -0.028 0.514) 2.982 5.220 ( -0.356 -0.268 -0.243) 0.508 5.266 ( -4.371 -0.127 1.779) 4.720 5.321 ( -1.816 0.123 0.403) 1.865 5.376 ( -2.178 0.144 1.509) 2.653 5.504 ( 8.113 0.135 -2.766) 8.572 5.763 ( -1.582 -0.114 -0.359) 1.627 5.768 ( -0.714 -0.602 -0.545) 1.081 5.943 ( -13.936 -0.114 1.177) 13.986 6.013 ( -13.092 -2.508 -2.294) 13.526 6.259 ( 13.230 0.079 3.913) 13.796 6.377 ( 14.574 1.270 -1.564) 14.712 7.508 ( -1.697 0.831 0.569) 1.973 7.557 ( 3.608 0.696 -1.465) 3.956 11.257 ( -2.571 -3.130 2.813) 4.932 11.330 ( -0.586 0.414 -0.186) 0.741 11.749 ( 0.716 1.125 -2.627) 2.946 11.800 ( 2.846 2.830 -3.580) 5.378 11.951 ( 3.919 -3.223 2.662) 5.729 11.971 ( 1.547 -0.509 1.618) 2.296 13.798 ( -11.952 0.835 7.959) 14.384 13.871 ( -1.251 -1.462 6.945) 7.206 14.667 ( -22.079 2.015 -9.332) 24.054 14.815 ( -6.225 -2.540 -13.601) 15.172 15.496 ( -12.911 0.682 1.947) 13.075 15.664 ( -4.309 -1.788 -8.268) 9.493 16.205 ( 3.441 -2.820 18.378) 18.909 16.247 ( 2.614 -2.919 12.860) 13.443 16.796 ( -18.309 -0.696 -4.767) 18.933 17.072 ( 16.537 -3.919 -17.204) 24.182 18.039 ( 4.789 0.204 10.149) 11.223 18.124 ( 0.620 7.080 0.407) 7.119 18.286 ( -7.492 2.238 -5.661) 9.653 18.486 ( 15.413 1.281 -8.795) 17.792 18.971 ( -8.787 -3.324 11.078) 14.525 19.081 ( -0.118 -2.474 9.556) 9.872 20.058 ( 0.024 4.487 -9.300) 10.325 20.201 ( 1.638 13.117 -13.282) 18.739 20.785 ( -4.888 -9.149 8.758) 13.576 20.937 ( -2.331 -0.934 6.864) 7.309 22.056 ( 0.834 2.114 -5.948) 6.367 22.262 ( 4.628 14.304 -9.021) 17.533 23.227 ( -4.129 -14.906 4.530) 16.117 23.409 ( 4.345 -7.342 -2.637) 8.930 23.722 ( -0.356 -6.264 11.053) 12.709 23.901 ( -5.045 6.374 17.872) 19.634 24.217 ( -12.319 -9.441 -10.969) 19.006 24.589 ( 4.655 5.306 -13.728) 15.436 25.120 ( -16.843 3.547 10.972) 20.412 25.300 ( 5.712 -1.535 10.720) 12.243 25.627 ( -14.558 8.107 -4.811) 17.344 25.817 ( 6.279 4.822 -5.896) 9.871 26.150 ( -14.987 -4.280 0.682) 15.601 26.314 ( 12.602 -10.746 -5.550) 17.467 28.148 ( 2.489 0.580 2.990) 3.934 28.326 ( 15.264 4.679 -4.250) 16.521 29.311 ( 1.579 -0.898 -1.168) 2.160 29.335 ( 1.729 0.603 -2.421) 3.036 29.946 ( -11.388 -3.443 2.808) 12.224 30.064 ( -6.532 -0.192 -2.202) 6.896 30.479 ( 5.103 4.397 2.150) 7.071 30.518 ( 7.431 7.275 0.115) 10.400 31.036 ( -1.158 -6.454 0.843) 6.611 31.068 ( -5.513 -0.878 -0.327) 5.592 33.303 ( 0.990 -0.947 0.455) 1.444 33.317 ( 1.530 -0.292 -0.148) 1.565 34.456 ( -5.366 1.468 0.486) 5.584 34.513 ( -1.384 0.240 -2.855) 3.182 34.656 ( 4.880 -0.205 3.976) 6.298 34.756 ( 11.235 -0.313 -1.191) 11.302 35.622 ( 0.227 0.118 0.077) 0.267 35.631 ( 1.120 0.230 -0.306) 1.184 39.444 ( -32.785 0.858 1.655) 32.838 39.530 ( -31.203 -0.837 -1.953) 31.276 39.994 ( 27.560 -0.295 1.838) 27.623 40.078 ( 26.391 0.031 -1.697) 26.446 ======================= Grid point 99 (35/75) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -4.395 3.813 3.636) 6.861 1.412 ( 0.105 -0.122 1.638) 1.645 1.434 ( -3.512 2.887 0.327) 4.558 1.540 ( 0.361 -0.117 -2.294) 2.325 1.593 ( -10.297 6.786 1.573) 12.432 1.718 ( -9.803 1.884 -1.992) 10.179 1.907 ( -7.483 2.628 -1.864) 8.148 1.994 ( -6.500 1.507 -3.734) 7.646 2.072 ( -2.165 0.972 0.822) 2.511 2.090 ( 1.432 -1.520 -0.018) 2.088 2.124 ( -1.190 -0.402 1.256) 1.777 2.133 ( -1.429 -3.776 1.416) 4.279 2.185 ( 1.262 -2.295 0.856) 2.755 2.218 ( 1.761 -0.178 1.613) 2.395 2.235 ( 1.132 -3.203 0.363) 3.416 2.331 ( 3.358 -1.201 0.187) 3.571 2.359 ( 3.310 0.819 -2.283) 4.103 2.418 ( 3.130 -0.426 -2.298) 3.906 2.433 ( -6.047 3.770 2.277) 7.481 2.495 ( 1.077 0.365 0.471) 1.231 2.548 ( -1.958 3.182 0.202) 3.741 2.589 ( 0.833 1.204 -0.614) 1.588 2.668 ( -2.691 4.292 2.316) 5.570 2.790 ( -4.573 4.055 -2.606) 6.644 3.681 ( -5.543 -0.926 6.852) 8.862 4.018 ( 4.022 -2.330 -7.681) 8.978 5.074 ( -9.884 -0.596 0.407) 9.910 5.112 ( -11.547 -0.402 -1.182) 11.615 5.233 ( 0.229 -0.362 0.987) 1.076 5.276 ( 1.287 0.280 -1.559) 2.041 5.431 ( 3.038 -0.596 5.566) 6.369 5.604 ( -2.163 -0.381 -2.890) 3.629 5.695 ( -3.000 -1.006 1.680) 3.582 5.739 ( -1.709 -1.211 -0.651) 2.193 5.804 ( -2.499 -1.322 -0.353) 2.849 5.824 ( -5.970 -2.331 -0.999) 6.486 6.520 ( 13.474 -0.276 3.095) 13.828 6.627 ( 12.712 1.242 -1.544) 12.865 7.483 ( -0.671 0.385 2.570) 2.684 7.635 ( 5.132 0.311 -3.778) 6.380 11.247 ( -1.617 -4.722 2.633) 5.643 11.325 ( -0.159 -0.818 -0.132) 0.844 11.698 ( -1.728 4.677 -1.346) 5.165 11.785 ( 2.177 3.896 -4.169) 6.107 12.044 ( 8.978 0.660 7.534) 11.739 12.262 ( 14.708 -10.647 -2.422) 18.318 13.467 ( -20.170 2.532 7.432) 21.644 13.670 ( -20.576 0.731 0.847) 20.606 14.228 ( -26.229 -5.441 -2.399) 26.895 14.415 ( -36.014 -5.261 -4.837) 36.716 15.376 ( -11.621 -0.696 -1.922) 11.800 15.443 ( -7.044 -6.370 -5.449) 10.950 16.162 ( -5.641 -2.675 7.337) 9.633 16.416 ( -4.782 -2.595 -4.077) 6.799 16.641 ( 6.676 -6.128 11.874) 14.937 17.351 ( 7.899 -5.247 -21.972) 23.931 18.016 ( -3.992 9.042 1.047) 9.939 18.101 ( -7.106 5.336 -0.401) 8.895 18.177 ( 9.094 4.454 17.532) 20.246 18.711 ( -3.963 -0.624 6.272) 7.445 18.835 ( 7.152 2.115 -3.940) 8.434 19.052 ( -5.626 -3.048 2.678) 6.936 20.000 ( -3.555 0.884 -10.681) 11.292 20.133 ( 1.665 10.233 -12.368) 16.138 20.672 ( -10.410 -2.797 12.851) 16.773 20.893 ( -4.376 -2.158 4.825) 6.862 21.979 ( -7.251 2.018 -6.905) 10.214 22.178 ( -2.173 11.855 -8.669) 14.847 23.117 ( -14.563 -3.881 8.281) 17.196 23.383 ( -3.840 7.912 -0.629) 8.817 23.782 ( -1.147 1.202 22.377) 22.439 23.995 ( 10.578 -15.136 -0.637) 18.477 24.192 ( -1.994 -17.735 -6.890) 19.130 24.682 ( 7.002 -1.692 -13.032) 14.890 24.788 ( -15.021 1.136 5.734) 16.118 25.099 ( -21.284 0.277 -8.749) 23.014 25.441 ( -7.786 1.634 6.382) 10.199 25.686 ( -13.368 3.275 -5.272) 14.738 26.089 ( 4.888 -5.502 17.645) 19.118 26.741 ( 21.802 -12.773 -12.620) 28.244 28.213 ( 6.380 5.308 7.191) 10.981 28.594 ( 18.604 10.176 -8.905) 22.999 29.382 ( 4.912 -0.398 -1.096) 5.049 29.397 ( 4.373 -0.676 -0.942) 4.524 29.663 ( -18.565 -0.469 3.609) 18.918 29.852 ( -12.868 2.467 -4.883) 13.983 30.500 ( 0.983 4.853 2.389) 5.498 30.542 ( 0.576 4.337 -0.143) 4.377 30.983 ( -5.353 -3.981 3.596) 7.578 31.116 ( 2.319 -6.298 -1.766) 6.940 33.367 ( 4.323 -1.513 0.590) 4.618 33.391 ( 5.471 -1.012 -0.415) 5.579 34.360 ( -3.522 1.717 1.364) 4.149 34.437 ( -4.026 0.419 -2.188) 4.602 34.851 ( 14.166 1.915 4.396) 14.955 35.019 ( 17.123 1.307 -2.913) 17.418 35.630 ( 0.968 0.457 0.339) 1.123 35.653 ( 1.570 0.748 -0.570) 1.830 38.773 ( -38.322 1.380 2.618) 38.436 38.922 ( -34.998 -1.588 -3.749) 35.234 40.453 ( 21.590 -0.157 2.019) 21.684 40.532 ( 22.167 -0.562 -1.322) 22.214 ======================= Grid point 100 (36/75) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -9.922 8.591 5.899) 14.389 1.210 ( -11.832 12.016 6.134) 17.944 1.400 ( -3.193 0.700 -2.983) 4.425 1.445 ( -1.883 0.282 0.794) 2.063 1.513 ( -5.952 2.702 -4.270) 7.808 1.572 ( -1.377 0.829 -2.935) 3.346 1.746 ( -7.213 2.063 -1.391) 7.630 1.844 ( -8.422 4.388 -3.752) 10.211 1.964 ( -12.292 8.746 4.591) 15.769 2.016 ( -4.528 3.825 5.031) 7.775 2.084 ( -0.970 0.238 -1.138) 1.514 2.146 ( -0.872 -3.417 0.413) 3.551 2.168 ( -6.879 1.119 4.553) 8.324 2.222 ( 0.179 -2.422 -0.435) 2.468 2.258 ( -0.786 -0.302 -0.407) 0.935 2.320 ( 2.874 -2.483 1.069) 3.946 2.384 ( -0.399 -0.408 -2.393) 2.460 2.402 ( -1.621 0.801 -1.611) 2.421 2.415 ( -1.314 1.036 -1.031) 1.966 2.483 ( 3.564 0.263 0.384) 3.595 2.578 ( 3.348 -0.565 -0.626) 3.453 2.616 ( 2.950 0.256 -0.312) 2.978 2.664 ( 1.360 2.171 -0.378) 2.590 2.671 ( -2.221 2.946 -0.376) 3.709 3.612 ( -2.627 -1.248 9.863) 10.283 4.098 ( 2.690 -2.487 -11.801) 12.356 4.860 ( -12.225 -0.173 0.479) 12.235 4.903 ( -11.589 -1.948 -1.725) 11.878 5.248 ( 0.641 -1.005 1.257) 1.732 5.313 ( 2.305 0.125 -1.860) 2.965 5.461 ( -0.252 -0.745 3.602) 3.687 5.474 ( -6.957 -1.096 0.824) 7.090 5.701 ( -0.386 -1.430 0.043) 1.482 5.759 ( 0.251 -1.745 1.414) 2.260 5.784 ( 2.738 -0.459 -0.760) 2.879 5.824 ( 0.260 -2.004 -1.763) 2.682 6.746 ( 10.167 -0.548 2.374) 10.455 6.819 ( 8.728 1.075 -0.833) 8.833 7.470 ( -0.827 -0.087 4.783) 4.854 7.733 ( 5.201 0.185 -6.077) 8.001 11.277 ( 0.248 -6.174 1.831) 6.445 11.338 ( 0.406 -1.856 0.134) 1.905 11.678 ( 3.314 3.347 1.140) 4.846 11.817 ( 4.956 5.188 -4.701) 8.578 12.227 ( 10.713 -0.281 12.495) 16.461 12.632 ( 12.416 -12.835 -5.338) 18.639 13.064 ( -19.906 3.120 4.882) 20.732 13.183 ( -27.488 -1.969 1.106) 27.581 13.696 ( -37.578 -6.398 1.926) 38.168 13.844 ( -24.675 -8.500 -2.607) 26.228 15.076 ( -16.606 -3.030 4.438) 17.454 15.472 ( -4.598 -11.795 -14.665) 19.373 16.058 ( -8.075 -4.503 4.337) 10.212 16.239 ( -13.029 -5.126 -4.844) 14.815 16.927 ( 13.832 -6.906 8.443) 17.615 17.444 ( -0.154 -2.544 -17.832) 18.013 17.835 ( -6.450 10.236 1.209) 12.159 17.885 ( -9.209 7.515 -0.890) 11.920 18.313 ( -0.999 2.513 23.110) 23.268 18.509 ( -2.085 0.564 16.241) 16.384 18.908 ( -11.548 -1.302 -5.850) 13.010 19.126 ( 20.221 4.537 -9.154) 22.655 19.939 ( -2.160 -0.966 -7.842) 8.191 20.110 ( 3.855 8.063 -12.133) 15.070 20.508 ( -9.178 -3.881 14.760) 17.809 20.805 ( -5.837 -0.652 2.161) 6.258 21.774 ( -16.385 -6.008 -7.174) 18.869 21.979 ( -12.157 5.306 -10.177) 16.719 22.813 ( -16.162 4.401 18.261) 24.780 23.235 ( -2.970 10.090 -0.321) 10.523 23.762 ( -1.820 -2.212 17.993) 18.220 24.239 ( 6.139 -3.584 -10.693) 12.841 24.308 ( -1.581 -5.132 -6.653) 8.550 24.610 ( -1.561 -9.677 8.630) 13.060 24.692 ( -17.522 0.688 -16.849) 24.318 24.914 ( 3.423 -12.555 -7.930) 15.240 25.217 ( -11.646 -0.414 4.726) 12.575 25.401 ( -11.265 5.388 -8.122) 14.896 26.341 ( 13.771 -10.873 31.471) 36.032 27.285 ( 23.359 -16.115 -15.888) 32.523 28.287 ( 7.686 8.710 11.939) 16.657 28.811 ( 13.241 12.696 -10.470) 21.122 29.264 ( -17.237 1.324 3.341) 17.608 29.450 ( -3.552 4.191 -1.481) 5.690 29.522 ( 6.915 -1.680 -2.672) 7.602 29.695 ( 3.150 2.170 -5.092) 6.369 30.446 ( -4.763 0.160 0.504) 4.792 30.494 ( -5.108 -2.648 -1.463) 5.937 30.916 ( -4.586 -3.017 9.215) 10.726 31.195 ( 2.275 -2.367 -3.599) 4.871 33.464 ( 4.412 -1.180 1.038) 4.684 33.517 ( 6.969 -0.485 -1.305) 7.107 34.298 ( -1.465 1.928 2.405) 3.413 34.377 ( -1.956 0.598 -1.143) 2.343 35.124 ( 17.651 4.733 5.023) 18.953 35.365 ( 22.433 5.094 -5.171) 23.578 35.653 ( 2.283 1.010 0.443) 2.535 35.677 ( 2.070 1.308 -0.376) 2.477 38.002 ( -42.648 2.225 3.513) 42.850 38.255 ( -38.730 -2.720 -7.961) 39.633 40.803 ( 15.801 -0.585 3.777) 16.257 40.910 ( 17.407 -1.609 -1.235) 17.525 ======================= Grid point 101 (37/75) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -11.317 14.055 10.006) 20.634 0.873 ( -12.979 13.779 11.544) 22.172 1.281 ( -9.612 6.734 -3.328) 12.199 1.372 ( -6.855 8.129 -3.433) 11.174 1.390 ( -4.638 5.463 -1.629) 7.349 1.491 ( -4.908 5.902 2.739) 8.150 1.537 ( -4.045 2.650 -0.862) 4.912 1.663 ( -2.209 -1.889 1.165) 3.131 1.790 ( -1.597 4.177 -0.808) 4.544 1.950 ( -1.344 1.781 6.699) 7.061 2.029 ( -5.813 2.958 6.099) 8.929 2.068 ( -0.863 1.374 -1.539) 2.236 2.152 ( -1.140 -0.753 -5.573) 5.738 2.192 ( -2.320 0.576 -2.804) 3.685 2.229 ( -2.080 1.852 -2.384) 3.666 2.312 ( -2.183 -2.964 -4.678) 5.952 2.385 ( 1.486 -1.991 -0.873) 2.634 2.402 ( 0.577 -1.963 -1.432) 2.497 2.474 ( 3.187 -1.466 4.560) 5.753 2.539 ( 1.745 -0.102 3.031) 3.499 2.599 ( -1.756 1.412 4.000) 4.591 2.644 ( 2.724 -1.255 -1.850) 3.524 2.671 ( 2.233 -0.095 -1.412) 2.644 2.713 ( 2.432 0.036 -1.871) 3.069 3.613 ( 0.999 -3.868 13.001) 13.600 4.168 ( 3.077 -2.089 -14.465) 14.935 4.667 ( -7.901 -0.162 0.503) 7.919 4.716 ( -10.087 -2.398 -2.483) 10.662 5.271 ( 0.771 -1.224 1.932) 2.414 5.335 ( -0.843 -1.485 0.589) 1.807 5.401 ( -1.056 0.589 -0.196) 1.225 5.477 ( 2.681 0.161 -0.438) 2.721 5.700 ( -1.051 -0.502 0.952) 1.504 5.777 ( -1.044 -1.978 2.516) 3.366 5.812 ( -0.296 -1.155 -3.549) 3.744 5.866 ( 2.422 -0.600 -0.227) 2.506 6.891 ( 4.768 -0.107 1.486) 4.995 6.939 ( 4.956 0.370 -0.609) 5.007 7.451 ( -1.210 -0.247 7.171) 7.277 7.812 ( 3.292 0.557 -7.750) 8.439 11.340 ( 0.893 -4.138 0.769) 4.303 11.379 ( 1.360 -5.860 0.830) 6.073 11.765 ( 8.096 2.674 2.485) 8.881 11.895 ( 8.799 6.018 -3.285) 11.155 12.399 ( -1.221 -3.553 6.492) 7.501 12.567 ( -24.543 -1.711 -4.626) 25.034 12.737 ( -1.304 -5.225 17.530) 18.339 13.104 ( 2.295 -11.826 -1.364) 12.124 13.161 ( -18.253 -8.113 12.215) 23.414 13.597 ( -9.778 -13.063 -4.303) 16.875 14.832 ( -11.709 -3.018 7.757) 14.365 15.387 ( -16.894 -13.519 -19.318) 29.006 15.954 ( -7.129 -6.179 2.504) 9.760 16.062 ( -9.668 -6.500 -3.022) 12.035 17.229 ( 11.037 -9.085 2.700) 14.548 17.433 ( -0.553 1.322 -8.913) 9.028 17.639 ( -5.225 10.115 1.089) 11.436 17.668 ( -6.540 8.378 -0.306) 10.632 18.084 ( -13.420 -0.831 13.902) 19.340 18.676 ( -9.413 -0.008 -9.096) 13.090 18.712 ( 12.635 -3.292 29.421) 32.188 19.501 ( 23.163 2.601 -2.834) 23.480 19.972 ( 5.537 -1.515 -4.502) 7.295 20.138 ( 6.107 8.988 -11.421) 15.764 20.395 ( -7.776 -7.073 10.214) 14.656 20.702 ( -4.933 0.951 -0.400) 5.039 21.425 ( -31.782 -13.833 -7.369) 35.437 21.653 ( -19.702 -2.139 -10.031) 22.212 22.507 ( -8.189 12.959 24.746) 29.110 23.127 ( -0.225 10.144 -1.635) 10.277 23.743 ( -1.771 -1.420 12.782) 12.982 24.186 ( -4.375 2.775 -8.365) 9.840 24.349 ( -1.722 3.062 -11.830) 12.341 24.433 ( -1.852 5.914 -22.212) 23.060 24.755 ( -0.813 -11.907 3.069) 12.324 24.869 ( -9.287 -2.478 -2.824) 10.018 25.036 ( -9.703 0.888 0.394) 9.751 25.375 ( 7.784 -1.258 -8.079) 11.289 26.777 ( 16.858 -28.936 44.227) 55.476 27.807 ( 15.484 -17.601 -16.087) 28.432 28.397 ( 13.902 8.905 17.982) 24.412 28.847 ( -0.758 5.245 -3.343) 6.266 28.975 ( -11.885 0.851 2.852) 12.252 29.406 ( 10.131 14.806 -16.287) 24.231 29.672 ( 6.721 -1.637 0.575) 6.941 29.850 ( 11.845 0.357 -2.595) 12.132 30.303 ( -13.727 -5.223 -2.870) 14.965 30.367 ( -12.480 -5.236 -4.151) 14.156 30.886 ( -0.477 -2.263 14.704) 14.885 31.245 ( 2.652 1.075 -4.520) 5.350 33.537 ( 2.478 -0.716 1.665) 3.070 33.640 ( 5.934 1.047 -3.509) 6.973 34.282 ( 1.111 0.324 4.829) 4.966 34.351 ( -0.410 0.647 0.470) 0.899 35.401 ( 15.372 7.224 4.974) 17.698 35.651 ( 4.063 2.106 -4.421) 6.363 35.726 ( 8.365 3.682 1.058) 9.200 35.824 ( 27.756 12.420 -4.969) 30.811 37.184 ( -41.058 2.623 2.533) 41.219 37.496 ( -46.468 -1.759 -15.848) 49.128 41.062 ( 10.789 -3.326 7.494) 13.550 41.192 ( 10.540 -2.605 -0.638) 10.876 ======================= Grid point 102 (38/75) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -0.000 13.956 17.268) 22.203 0.588 ( -0.000 14.015 18.554) 23.252 0.975 ( -0.000 22.225 23.583) 32.405 1.257 ( -0.000 4.013 -9.759) 10.552 1.314 ( -0.000 4.959 -17.152) 17.855 1.456 ( 0.000 -1.492 0.753) 1.671 1.490 ( -0.000 0.804 1.545) 1.742 1.675 ( 0.000 -1.951 -1.311) 2.350 1.761 ( -0.000 1.511 -0.169) 1.520 1.922 ( -0.000 2.082 10.160) 10.371 1.948 ( -0.000 0.903 6.508) 6.570 2.044 ( -0.000 2.368 -4.946) 5.483 2.119 ( -0.000 2.399 -11.977) 12.215 2.181 ( -0.000 0.231 -2.037) 2.050 2.198 ( 0.000 -1.213 0.580) 1.344 2.321 ( 0.000 -2.686 -4.154) 4.947 2.411 ( 0.000 -1.312 -1.011) 1.656 2.426 ( 0.000 -2.270 -1.220) 2.577 2.524 ( 0.000 -0.625 6.049) 6.081 2.559 ( -0.000 2.077 5.055) 5.465 2.563 ( 0.000 -1.724 4.005) 4.360 2.686 ( 0.000 -1.241 -1.865) 2.240 2.692 ( -0.000 0.448 -2.347) 2.390 2.739 ( 0.000 -0.416 -2.450) 2.485 3.706 ( 0.000 -11.363 14.536) 18.451 4.226 ( 0.000 -0.029 -17.058) 17.058 4.588 ( 0.000 -0.383 0.356) 0.523 4.604 ( -0.000 0.033 -0.327) 0.328 5.291 ( 0.000 -1.647 2.358) 2.876 5.336 ( 0.000 -1.956 1.607) 2.531 5.394 ( -0.000 1.072 -1.344) 1.719 5.523 ( -0.000 3.447 -4.457) 5.634 5.685 ( 0.000 -0.051 0.949) 0.950 5.732 ( 0.000 -0.126 -1.042) 1.050 5.825 ( 0.000 -0.665 1.729) 1.852 5.895 ( 0.000 -0.511 -0.145) 0.531 6.930 ( -0.000 0.278 1.221) 1.252 6.987 ( -0.000 0.028 -1.167) 1.167 7.439 ( 0.000 -0.249 8.482) 8.485 7.838 ( -0.000 0.746 -8.161) 8.195 11.368 ( 0.000 -1.624 1.671) 2.331 11.457 ( 0.000 -7.853 -0.839) 7.898 11.862 ( -0.000 3.136 5.718) 6.522 12.008 ( -0.000 6.167 4.876) 7.861 12.236 ( 0.000 -0.218 -12.797) 12.799 12.300 ( 0.000 -3.717 -6.904) 7.841 12.851 ( 0.000 -4.331 13.093) 13.790 13.229 ( 0.000 -6.841 -5.572) 8.823 13.286 ( 0.000 -45.375 37.489) 58.858 13.662 ( 0.000 -14.098 -0.016) 14.098 14.728 ( 0.000 -2.548 7.924) 8.324 15.144 ( 0.000 -0.882 -9.919) 9.959 15.922 ( 0.000 -5.112 2.104) 5.529 16.023 ( 0.000 -6.092 -2.348) 6.529 17.415 ( 0.000 -1.652 -1.021) 1.942 17.432 ( 0.000 -7.973 -0.834) 8.017 17.507 ( -0.000 8.700 0.925) 8.749 17.536 ( -0.000 7.552 -0.415) 7.563 17.951 ( 0.000 -0.862 11.258) 11.291 18.550 ( -0.000 0.845 -15.680) 15.702 19.019 ( 0.000 -27.131 43.217) 51.027 19.822 ( -0.000 2.301 13.669) 13.862 20.052 ( 0.000 -13.282 -16.025) 20.814 20.350 ( 0.000 -4.424 2.698) 5.182 20.381 ( -0.000 1.220 -14.249) 14.301 20.539 ( -0.000 11.207 -13.822) 17.794 20.914 ( 0.000 -0.679 14.740) 14.756 21.435 ( 0.000 -1.401 -10.267) 10.362 22.326 ( -0.000 10.139 26.197) 28.090 23.039 ( -0.000 14.688 -6.703) 16.145 23.728 ( 0.000 -0.251 10.483) 10.486 24.116 ( -0.000 12.290 -15.672) 19.916 24.245 ( -0.000 0.344 -13.741) 13.745 24.421 ( -0.000 17.088 -31.546) 35.877 24.640 ( -0.000 0.046 7.067) 7.067 24.799 ( 0.000 -0.344 -1.871) 1.903 25.016 ( 0.000 -6.906 13.327) 15.010 25.463 ( -0.000 0.581 -7.808) 7.830 27.360 ( 0.000 -61.505 42.447) 74.730 28.059 ( 0.000 -13.998 -6.164) 15.295 28.614 ( -0.000 4.147 18.785) 19.237 28.791 ( 0.000 -1.634 1.020) 1.926 28.847 ( 0.000 -1.658 -1.327) 2.124 29.502 ( -0.000 17.492 -31.290) 35.847 29.776 ( 0.000 -0.831 6.732) 6.783 30.038 ( -0.000 1.636 1.445) 2.183 30.100 ( -0.000 1.558 -1.187) 1.958 30.146 ( 0.000 -6.216 -9.210) 11.111 30.917 ( 0.000 -4.666 16.062) 16.726 31.261 ( -0.000 3.392 -5.260) 6.259 33.567 ( 0.000 -1.022 2.002) 2.248 33.690 ( -0.000 2.863 -5.953) 6.606 34.337 ( 0.000 -6.975 6.628) 9.622 34.345 ( -0.000 0.149 2.347) 2.352 35.502 ( -0.000 5.318 3.123) 6.168 35.662 ( -0.000 1.277 -2.754) 3.036 35.844 ( -0.000 8.848 2.443) 9.180 36.246 ( -0.000 36.776 -30.453) 47.747 36.645 ( -0.000 0.118 0.633) 0.644 36.675 ( 0.000 -0.016 -0.612) 0.612 41.241 ( 0.000 -9.879 8.391) 12.961 41.317 ( 0.000 -2.505 0.287) 2.522 ======================= Grid point 105 (39/75) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 4.695 -0.000 4.130) 6.253 1.425 ( -1.135 0.000 2.048) 2.342 1.454 ( 3.652 -0.000 -1.392) 3.908 1.529 ( -1.189 0.000 -2.547) 2.810 1.676 ( 13.930 -0.000 4.310) 14.581 1.918 ( 10.047 -0.000 -6.314) 11.867 1.985 ( 6.554 -0.000 1.167) 6.657 2.059 ( 2.051 -0.000 -1.655) 2.636 2.078 ( -4.652 0.000 -0.092) 4.653 2.085 ( -4.769 0.000 -0.627) 4.810 2.140 ( -1.550 0.000 1.000) 1.845 2.166 ( 2.384 -0.000 -0.591) 2.456 2.212 ( -3.610 0.000 0.576) 3.656 2.233 ( 3.328 -0.000 1.494) 3.648 2.234 ( -3.777 0.000 1.521) 4.072 2.244 ( -3.745 0.000 2.033) 4.261 2.363 ( -4.606 0.000 -2.158) 5.086 2.405 ( -3.320 0.000 -1.402) 3.604 2.414 ( -1.863 0.000 0.923) 2.079 2.492 ( 1.865 -0.000 -2.582) 3.185 2.502 ( 2.372 -0.000 0.772) 2.495 2.554 ( 3.613 -0.000 -1.414) 3.880 2.688 ( 12.521 -0.000 2.485) 12.765 2.773 ( 4.853 -0.000 -1.252) 5.012 3.769 ( 5.897 -0.000 3.676) 6.949 3.922 ( -7.476 0.000 -2.874) 8.010 5.218 ( 0.108 -0.000 0.399) 0.414 5.239 ( 4.548 -0.000 1.550) 4.805 5.240 ( -1.192 0.000 -1.032) 1.577 5.324 ( 9.213 -0.000 -1.823) 9.391 5.372 ( -3.432 0.000 4.247) 5.460 5.513 ( -7.256 0.000 -1.976) 7.520 5.770 ( -0.032 0.000 0.270) 0.272 5.800 ( -1.746 0.000 -1.025) 2.025 5.954 ( 13.166 -0.000 1.916) 13.305 6.085 ( 10.480 -0.000 -4.108) 11.257 6.291 ( -13.235 0.000 1.883) 13.368 6.292 ( -14.685 0.000 1.287) 14.741 7.521 ( 1.774 -0.000 0.615) 1.878 7.570 ( -3.288 0.000 -1.383) 3.567 11.274 ( -2.845 0.000 2.646) 3.885 11.369 ( -2.340 0.000 -1.690) 2.887 11.660 ( 6.122 -0.000 0.727) 6.165 11.679 ( 4.884 -0.000 -0.274) 4.892 11.895 ( -4.293 0.000 5.821) 7.233 12.239 ( -15.522 0.000 -8.800) 17.843 13.682 ( 13.591 -0.000 11.721) 17.947 13.908 ( 3.295 -0.000 7.285) 7.996 14.717 ( 12.293 -0.000 -7.127) 14.210 15.069 ( 3.090 -0.000 -18.377) 18.635 15.470 ( 6.110 -0.000 0.459) 6.127 15.615 ( 3.220 -0.000 -10.151) 10.650 16.146 ( -4.458 0.000 10.612) 11.511 16.380 ( -12.160 0.000 22.464) 25.545 16.733 ( 11.885 -0.000 -8.783) 14.778 17.220 ( -24.110 0.000 -6.297) 24.919 17.936 ( 5.625 -0.000 6.296) 8.442 18.143 ( 6.938 -0.000 -5.433) 8.812 18.231 ( 12.026 -0.000 -5.222) 13.110 18.439 ( -8.984 0.000 -10.388) 13.733 18.996 ( 5.872 -0.000 15.085) 16.187 19.031 ( -3.268 0.000 10.808) 11.291 20.166 ( 3.433 -0.000 -6.157) 7.050 20.269 ( 12.437 -0.000 -10.464) 16.253 20.700 ( -4.110 0.000 6.597) 7.773 20.899 ( 0.219 -0.000 0.269) 0.347 22.024 ( 5.054 -0.000 -1.973) 5.426 22.262 ( 19.503 -0.000 -8.704) 21.357 22.953 ( -3.928 0.000 9.074) 9.888 23.130 ( 2.297 -0.000 -4.369) 4.936 23.914 ( -8.868 0.000 6.444) 10.962 23.993 ( -3.108 0.000 13.161) 13.523 24.477 ( -17.820 0.000 -9.550) 20.218 24.623 ( 2.233 -0.000 -11.398) 11.614 25.080 ( 12.571 -0.000 12.276) 17.571 25.421 ( 1.097 -0.000 4.673) 4.800 25.675 ( 8.090 -0.000 1.001) 8.151 25.923 ( 12.553 -0.000 -1.272) 12.617 26.038 ( -6.398 0.000 5.855) 8.672 26.527 ( -32.564 0.000 -14.794) 35.767 28.109 ( -1.160 0.000 0.491) 1.260 28.136 ( 8.411 -0.000 -0.159) 8.413 29.318 ( -3.268 0.000 -0.705) 3.343 29.352 ( -2.315 0.000 -2.383) 3.322 29.916 ( 8.693 -0.000 2.043) 8.930 29.993 ( 13.613 -0.000 -1.168) 13.663 30.455 ( 0.115 -0.000 0.750) 0.759 30.478 ( 3.280 -0.000 -0.167) 3.284 31.021 ( -3.384 0.000 4.201) 5.395 31.199 ( -5.874 0.000 -3.497) 6.836 33.325 ( -3.892 0.000 0.403) 3.913 33.335 ( -2.948 0.000 -0.050) 2.949 34.421 ( 7.044 -0.000 1.694) 7.245 34.526 ( 4.533 -0.000 -3.308) 5.612 34.663 ( -5.912 0.000 2.500) 6.419 34.717 ( -8.871 0.000 -0.303) 8.876 35.616 ( 0.492 -0.000 -0.008) 0.492 35.622 ( -0.236 0.000 -0.228) 0.328 39.417 ( 33.710 -0.000 2.580) 33.809 39.552 ( 30.072 -0.000 -3.133) 30.235 40.011 ( -26.875 0.000 1.278) 26.906 40.068 ( -27.521 0.000 -1.133) 27.544 ======================= Grid point 106 (40/75) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 1.697 -0.171 3.348) 3.757 1.400 ( -0.947 0.706 2.400) 2.675 1.500 ( -0.284 0.035 -2.003) 2.024 1.508 ( 0.842 -0.055 -1.920) 2.097 1.909 ( 6.094 0.456 2.021) 6.437 1.926 ( -7.659 0.083 0.877) 7.709 1.927 ( -6.017 1.864 0.880) 6.361 2.030 ( 0.318 0.235 -1.775) 1.818 2.054 ( -1.127 -1.839 -0.427) 2.198 2.087 ( 2.953 0.477 -1.936) 3.563 2.138 ( -3.477 0.037 0.704) 3.547 2.145 ( -2.771 -0.688 0.407) 2.884 2.164 ( -1.371 -0.837 0.828) 1.807 2.182 ( -1.410 0.084 0.807) 1.627 2.233 ( -2.039 0.922 -0.810) 2.380 2.288 ( 5.252 -0.373 -2.595) 5.870 2.307 ( 0.795 2.058 0.447) 2.251 2.348 ( -0.789 -0.739 -1.249) 1.652 2.422 ( 2.188 -0.576 2.234) 3.180 2.530 ( 1.340 0.228 -2.368) 2.731 2.552 ( 2.332 -0.049 0.503) 2.386 2.604 ( 1.726 0.507 -1.066) 2.091 2.817 ( -0.534 0.726 1.191) 1.493 2.851 ( 4.241 0.198 -0.330) 4.258 3.780 ( -7.765 -0.749 2.388) 8.159 3.880 ( 5.222 -1.188 -1.927) 5.692 5.203 ( -2.782 0.485 0.012) 2.824 5.213 ( -1.590 -0.644 -0.440) 1.771 5.267 ( -4.467 0.192 2.477) 5.112 5.319 ( 0.903 -0.207 1.943) 2.153 5.378 ( -4.377 0.154 0.329) 4.392 5.507 ( 8.301 0.151 -3.187) 8.893 5.761 ( -1.595 -0.074 -0.489) 1.670 5.762 ( -1.876 -0.105 -0.496) 1.943 5.945 ( -14.587 0.397 0.373) 14.598 5.977 ( -13.434 -1.591 -1.399) 13.600 6.261 ( 13.443 0.113 4.080) 14.048 6.391 ( 14.257 0.419 -1.770) 14.372 7.522 ( -1.646 0.611 0.504) 1.827 7.568 ( 3.547 0.506 -1.450) 3.866 11.220 ( -3.205 -1.276 3.485) 4.904 11.330 ( -1.791 -0.209 -1.224) 2.179 11.766 ( 3.314 1.036 -1.571) 3.811 11.816 ( 8.236 -0.724 -1.374) 8.381 11.895 ( 5.355 -1.237 3.041) 6.281 11.998 ( -8.255 1.168 -3.377) 8.995 13.808 ( -10.606 0.895 9.800) 14.468 13.843 ( -0.705 -1.895 9.542) 9.754 14.716 ( -25.360 3.256 -12.072) 28.275 14.784 ( -10.872 -1.734 -14.476) 18.187 15.501 ( -10.683 0.088 0.892) 10.721 15.637 ( -6.357 -1.195 -7.021) 9.547 16.159 ( 10.648 -1.821 17.745) 20.774 16.213 ( -5.669 -1.350 16.151) 17.171 16.784 ( -21.014 -0.484 -4.511) 21.498 17.029 ( 16.482 -1.409 -20.356) 26.230 18.050 ( 7.700 0.704 11.886) 14.179 18.209 ( 1.296 2.982 -3.826) 5.021 18.311 ( -5.479 0.812 -5.397) 7.733 18.504 ( 17.011 0.780 -8.814) 19.175 18.926 ( -8.774 -1.677 12.057) 15.006 19.040 ( -1.393 -1.804 10.266) 10.516 20.173 ( 0.074 7.014 -5.096) 8.670 20.401 ( 3.440 9.077 -12.637) 15.935 20.634 ( -4.607 -7.552 7.709) 11.734 20.884 ( -3.402 -4.061 -0.541) 5.325 22.121 ( 4.746 3.925 0.534) 6.182 22.525 ( 9.519 17.722 -10.499) 22.692 22.926 ( -3.763 -20.346 7.051) 21.859 23.219 ( 5.572 -9.077 -5.961) 12.205 23.737 ( -7.218 3.348 6.696) 10.399 23.903 ( -8.032 -3.630 15.863) 18.147 24.163 ( -14.163 0.529 -4.010) 14.729 24.647 ( 1.801 1.837 -12.866) 13.120 25.174 ( -18.000 2.434 11.454) 21.474 25.282 ( 5.457 -0.713 10.823) 12.142 25.783 ( -12.406 9.639 -2.105) 15.851 25.930 ( 1.313 7.778 -7.990) 11.228 26.048 ( -14.886 -6.172 -2.957) 16.384 26.132 ( 11.121 -11.409 -4.652) 16.598 28.155 ( 5.653 0.282 4.498) 7.230 28.379 ( 17.711 1.745 -4.447) 18.344 29.301 ( 1.444 -0.314 -1.140) 1.867 29.342 ( 1.383 0.257 -3.766) 4.021 29.902 ( -9.641 -1.581 3.488) 10.374 30.051 ( -6.312 -0.741 -2.784) 6.938 30.541 ( 7.725 2.489 4.041) 9.066 30.639 ( 12.549 6.130 -0.682) 13.983 30.933 ( -6.211 -5.301 2.601) 8.570 31.052 ( -9.477 -0.825 -2.264) 9.778 33.291 ( 0.470 -0.402 0.606) 0.866 33.313 ( 0.914 -0.135 -0.317) 0.976 34.477 ( -5.490 0.876 0.122) 5.561 34.517 ( -1.678 0.075 -2.437) 2.960 34.652 ( 6.739 -0.160 3.793) 7.735 34.749 ( 11.452 -0.373 -1.183) 11.519 35.623 ( 0.405 0.039 0.120) 0.424 35.634 ( 1.376 0.089 -0.325) 1.417 39.456 ( -32.529 0.458 1.206) 32.555 39.518 ( -31.595 -0.472 -1.431) 31.631 39.991 ( 27.754 -0.093 1.882) 27.818 40.078 ( 26.125 -0.030 -1.765) 26.185 ======================= Grid point 107 (41/75) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -2.379 2.160 2.522) 4.084 1.410 ( 0.826 0.099 3.211) 3.317 1.466 ( -2.028 1.156 -1.890) 3.003 1.535 ( 0.926 -0.276 -1.735) 1.986 1.720 ( -8.891 8.167 1.630) 12.182 1.748 ( -8.595 1.567 1.366) 8.843 1.953 ( -5.698 2.981 -2.677) 6.965 2.013 ( -4.450 0.565 -3.964) 5.986 2.039 ( -3.501 -4.099 0.593) 5.423 2.070 ( 0.440 -1.998 1.073) 2.311 2.094 ( -0.556 -1.659 -1.407) 2.245 2.110 ( -1.321 0.269 1.801) 2.250 2.161 ( 0.400 -0.891 0.989) 1.390 2.186 ( 0.476 -2.256 -1.334) 2.664 2.224 ( 1.203 0.455 4.317) 4.504 2.319 ( 2.772 -0.275 -0.172) 2.791 2.366 ( 2.468 0.013 -2.167) 3.284 2.416 ( 4.664 0.200 -2.803) 5.445 2.469 ( 1.491 0.439 1.871) 2.432 2.516 ( -1.856 2.339 -0.116) 2.988 2.579 ( 0.262 0.307 0.005) 0.404 2.606 ( -0.488 1.091 -0.472) 1.285 2.740 ( -4.303 4.238 2.299) 6.463 2.842 ( -3.431 2.396 -2.024) 4.648 3.658 ( -6.058 -1.612 6.518) 9.044 3.974 ( 3.177 -2.712 -7.100) 8.238 5.068 ( -10.070 -0.154 0.595) 10.089 5.105 ( -11.545 -0.400 -0.935) 11.590 5.229 ( -0.484 -0.117 1.042) 1.154 5.279 ( 0.842 0.174 -1.688) 1.894 5.422 ( 3.122 -0.464 5.546) 6.381 5.599 ( -4.682 -0.221 -2.811) 5.465 5.684 ( -0.733 -0.253 0.279) 0.824 5.718 ( -3.171 -1.358 -1.435) 3.736 5.783 ( -5.979 -1.272 0.447) 6.129 5.796 ( -2.055 -0.967 -0.304) 2.292 6.519 ( 13.338 0.055 3.384) 13.761 6.642 ( 12.497 0.584 -1.902) 12.654 7.496 ( -0.684 0.943 2.428) 2.693 7.644 ( 5.016 0.638 -3.790) 6.320 11.184 ( -2.268 -2.961 3.652) 5.220 11.308 ( -1.097 -1.129 -1.196) 1.977 11.773 ( -1.258 4.312 -2.749) 5.266 11.828 ( 0.863 1.363 -4.356) 4.645 12.051 ( 9.691 0.160 4.483) 10.679 12.120 ( 12.875 -6.636 0.702) 14.501 13.491 ( -20.114 0.784 8.314) 21.779 13.686 ( -18.599 0.746 3.687) 18.976 14.171 ( -30.554 -1.327 -5.643) 31.099 14.333 ( -36.814 -4.695 -6.426) 37.664 15.341 ( -20.975 -3.634 0.115) 21.288 15.387 ( -2.770 -0.370 -3.147) 4.209 16.112 ( -7.176 -3.022 8.044) 11.195 16.377 ( -5.894 -1.918 -2.665) 6.747 16.555 ( 6.139 -4.068 10.218) 12.596 17.299 ( 10.374 -1.610 -25.237) 27.334 18.144 ( -2.752 6.396 -0.490) 6.980 18.177 ( -4.990 3.738 0.610) 6.265 18.241 ( 10.215 3.028 17.251) 20.276 18.703 ( -11.031 -0.304 10.245) 15.058 18.853 ( 15.570 0.218 -8.149) 17.575 18.993 ( -5.643 -3.571 3.021) 7.330 20.067 ( -5.066 6.138 -5.695) 9.786 20.317 ( -0.538 11.790 -9.246) 14.993 20.594 ( -7.531 -6.512 5.395) 11.324 20.842 ( -4.502 -4.015 1.185) 6.147 22.041 ( -10.779 5.089 -2.225) 12.126 22.400 ( -4.649 15.984 -6.391) 17.831 22.956 ( -11.106 -15.105 5.710) 19.599 23.456 ( 4.141 0.140 -4.872) 6.395 23.714 ( 8.851 -11.069 1.499) 14.252 23.801 ( -4.388 -6.411 15.480) 17.320 24.002 ( -3.104 -3.369 3.242) 5.612 24.677 ( 2.481 0.305 -11.229) 11.504 24.819 ( -16.658 2.110 4.762) 17.453 25.117 ( -20.902 1.440 -8.192) 22.496 25.494 ( -11.724 4.533 6.289) 14.055 25.733 ( -12.601 1.528 -4.729) 13.545 26.010 ( 4.512 -3.524 12.708) 13.938 26.563 ( 22.742 -8.871 -12.222) 27.300 28.283 ( 8.735 3.238 8.720) 12.760 28.722 ( 20.719 5.681 -9.540) 23.507 29.373 ( 5.540 -0.524 -1.705) 5.820 29.396 ( 4.086 0.187 -3.284) 5.246 29.649 ( -17.167 -1.017 4.809) 17.857 29.855 ( -13.850 -1.211 -4.382) 14.577 30.603 ( 1.538 7.371 4.850) 8.956 30.642 ( -4.606 7.322 0.805) 8.688 30.898 ( -7.553 -6.365 1.568) 10.001 31.011 ( 5.946 -6.613 -1.486) 9.017 33.346 ( 4.380 -0.996 0.714) 4.548 33.377 ( 5.401 -0.655 -0.577) 5.471 34.384 ( -3.412 1.225 0.852) 3.723 34.443 ( -3.838 0.239 -1.846) 4.266 34.882 ( 16.226 1.755 3.803) 16.758 35.026 ( 17.960 -0.138 -2.482) 18.131 35.636 ( 1.187 0.262 0.456) 1.298 35.663 ( 1.907 0.467 -0.646) 2.067 38.793 ( -37.955 1.023 1.917) 38.017 38.899 ( -35.634 -1.236 -2.553) 35.747 40.452 ( 21.730 0.010 1.760) 21.801 40.523 ( 21.460 -0.491 -1.210) 21.500 ======================= Grid point 108 (42/75) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -5.265 6.728 3.776) 9.341 1.383 ( -4.185 5.494 -0.387) 6.917 1.423 ( -1.141 2.457 2.953) 4.007 1.474 ( -8.035 6.699 1.686) 10.597 1.542 ( -0.818 0.636 -1.771) 2.052 1.600 ( -4.672 2.175 1.042) 5.257 1.793 ( -7.541 4.262 -4.591) 9.803 1.901 ( -5.007 2.829 -6.226) 8.476 2.013 ( -3.893 -6.010 1.622) 7.343 2.044 ( -2.151 0.616 0.445) 2.281 2.090 ( -1.894 0.496 1.320) 2.362 2.115 ( 0.042 0.971 0.430) 1.063 2.176 ( -0.708 -1.402 1.685) 2.304 2.218 ( -0.048 0.372 -0.868) 0.946 2.250 ( -0.166 -0.364 4.897) 4.914 2.322 ( -4.178 4.402 1.130) 6.173 2.384 ( -0.776 0.245 -2.356) 2.493 2.397 ( 1.439 0.497 1.909) 2.442 2.449 ( -2.106 1.544 -2.165) 3.392 2.502 ( 0.572 1.898 -2.154) 2.928 2.569 ( 1.189 -0.391 0.554) 1.369 2.612 ( 1.726 -0.655 0.114) 1.849 2.683 ( 0.591 0.786 0.785) 1.258 2.726 ( -5.144 3.301 -1.077) 6.206 3.584 ( -3.512 -2.149 8.959) 9.859 4.044 ( 1.696 -3.946 -11.240) 12.033 4.858 ( -12.120 -0.101 0.225) 12.122 4.876 ( -12.295 -1.337 -0.724) 12.388 5.232 ( 0.202 -0.900 1.529) 1.786 5.311 ( 1.627 -0.162 -2.085) 2.650 5.448 ( -0.669 -0.802 3.249) 3.412 5.454 ( -6.785 -1.344 0.461) 6.932 5.679 ( 0.346 -1.281 -0.068) 1.328 5.736 ( -0.468 -1.076 1.904) 2.237 5.771 ( 1.837 -1.203 -2.280) 3.166 5.799 ( 1.643 -1.058 -0.556) 2.032 6.741 ( 10.296 -0.109 2.684) 10.641 6.833 ( 8.418 0.697 -1.318) 8.549 7.476 ( -0.741 0.839 4.589) 4.724 7.738 ( 5.207 0.391 -6.238) 8.135 11.188 ( -0.558 -4.718 3.245) 5.754 11.307 ( -0.349 -1.994 -1.243) 2.376 11.737 ( 2.401 3.815 0.420) 4.528 11.876 ( 4.824 2.220 -5.476) 7.628 12.232 ( 9.655 0.863 7.501) 12.257 12.435 ( 12.298 -10.910 -1.302) 16.492 13.105 ( -18.698 1.536 4.324) 19.253 13.183 ( -31.185 2.192 0.694) 31.269 13.586 ( -37.300 -6.734 -0.545) 37.907 13.706 ( -30.160 -8.366 -2.541) 31.402 15.013 ( -17.364 -4.540 5.103) 18.659 15.334 ( -6.331 -5.384 -9.773) 12.829 15.986 ( -9.154 -4.248 4.302) 10.970 16.156 ( -14.654 -4.682 -3.755) 15.835 16.832 ( 13.535 -4.712 9.422) 17.151 17.440 ( 5.237 1.358 -21.825) 22.486 17.993 ( -6.115 8.569 0.232) 10.530 18.003 ( -7.648 6.757 -0.086) 10.206 18.347 ( -9.163 1.773 20.690) 22.697 18.530 ( 5.651 1.752 16.469) 17.499 18.874 ( -9.760 -2.922 -5.779) 11.712 19.185 ( 19.360 2.828 -9.682) 21.830 19.934 ( -4.648 1.069 -3.187) 5.736 20.246 ( 1.808 7.822 -9.397) 12.359 20.465 ( -9.001 -1.834 7.837) 12.075 20.780 ( -4.826 -2.326 -0.103) 5.358 21.693 ( -24.045 -3.612 -0.843) 24.330 22.076 ( -20.577 6.338 -13.029) 25.166 22.832 ( -7.652 -1.989 19.630) 21.162 23.394 ( -1.839 9.318 -2.594) 9.846 23.745 ( -1.553 -0.846 17.998) 18.085 24.086 ( 2.306 -14.598 0.098) 14.779 24.157 ( 17.010 -9.589 -11.498) 22.660 24.561 ( -7.533 0.941 3.331) 8.290 24.706 ( -19.342 0.173 -12.921) 23.261 24.754 ( 2.520 -5.752 -8.355) 10.452 25.218 ( -14.054 0.269 6.649) 15.550 25.479 ( -10.610 4.164 -9.136) 14.607 26.219 ( 11.842 -5.001 24.755) 27.894 27.081 ( 24.432 -9.612 -16.833) 31.187 28.407 ( 8.467 6.163 12.911) 16.624 28.978 ( 9.281 8.463 -11.832) 17.255 29.291 ( -15.180 2.242 4.160) 15.899 29.478 ( -2.197 -0.611 -3.175) 3.908 29.500 ( 7.472 -0.497 -1.416) 7.621 29.681 ( -0.773 -3.850 -6.485) 7.582 30.465 ( -10.080 1.268 0.822) 10.192 30.495 ( -7.010 3.256 0.796) 7.770 30.856 ( -2.471 -4.356 10.062) 11.240 31.160 ( 5.626 -1.975 -3.352) 6.840 33.446 ( 4.875 -0.987 1.172) 5.110 33.508 ( 7.621 -0.570 -1.488) 7.786 34.329 ( -1.345 1.768 1.315) 2.581 34.387 ( -1.823 0.510 -1.214) 2.248 35.204 ( 20.715 4.844 4.618) 21.769 35.411 ( 22.951 1.013 -4.204) 23.354 35.671 ( 3.986 1.133 0.555) 4.181 35.696 ( 2.493 1.004 -0.430) 2.722 38.034 ( -42.027 1.723 2.866) 42.159 38.215 ( -39.173 -2.092 -4.966) 39.542 40.798 ( 15.355 -0.037 2.719) 15.594 40.883 ( 16.254 -1.665 -1.032) 16.371 ======================= Grid point 109 (43/75) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -6.877 13.493 5.903) 16.254 1.116 ( -10.388 16.273 7.802) 20.823 1.338 ( -3.308 2.096 -5.632) 6.859 1.426 ( -0.685 0.635 1.833) 2.057 1.475 ( -1.622 5.485 -3.222) 6.565 1.559 ( -1.810 1.891 -4.669) 5.353 1.636 ( -5.269 0.399 -0.734) 5.335 1.745 ( -7.488 14.341 0.806) 16.199 1.884 ( -4.364 9.252 1.630) 10.358 1.979 ( -2.061 -0.381 6.145) 6.493 2.055 ( -1.972 -0.197 4.487) 4.905 2.094 ( -0.008 2.788 -0.515) 2.835 2.129 ( -0.870 0.874 0.898) 1.526 2.206 ( -0.115 -2.585 -2.312) 3.470 2.241 ( -1.270 0.709 -2.947) 3.286 2.301 ( -5.522 2.258 -5.980) 8.446 2.347 ( 1.202 -2.431 -0.354) 2.734 2.386 ( 0.085 0.236 -1.808) 1.826 2.446 ( 2.435 -2.008 3.635) 4.814 2.528 ( 0.643 -0.807 3.194) 3.357 2.609 ( 1.226 -1.614 -1.246) 2.379 2.636 ( -1.786 1.318 2.115) 3.066 2.657 ( 1.502 -1.581 -0.951) 2.379 2.709 ( 1.438 -0.846 -1.011) 1.951 3.561 ( -1.148 -2.944 10.453) 10.920 4.109 ( 1.707 -4.881 -14.989) 15.856 4.662 ( -8.249 -0.460 0.301) 8.267 4.687 ( -8.640 -1.178 -0.882) 8.764 5.248 ( 0.434 -1.524 2.247) 2.749 5.311 ( -1.853 -1.161 1.128) 2.460 5.397 ( -1.242 -0.967 -1.200) 1.980 5.464 ( 2.399 -1.768 0.068) 2.981 5.692 ( -0.486 -0.460 0.855) 1.086 5.750 ( -0.440 -1.299 2.183) 2.578 5.783 ( 0.078 -2.106 -2.148) 3.010 5.859 ( 2.667 -0.304 -0.550) 2.740 6.891 ( 5.402 0.074 1.547) 5.620 6.945 ( 4.352 0.426 -0.838) 4.453 7.453 ( -1.029 0.595 6.963) 7.064 7.819 ( 3.493 0.308 -8.206) 8.924 11.237 ( 0.772 -6.625 2.450) 7.105 11.326 ( 0.259 -2.649 -0.580) 2.724 11.813 ( 8.750 3.257 1.979) 9.544 11.971 ( 7.907 3.220 -4.957) 9.872 12.358 ( 0.589 -1.269 6.436) 6.586 12.553 ( -22.106 0.024 -4.215) 22.504 12.671 ( -6.865 -3.810 9.823) 12.575 12.918 ( -2.941 -9.754 -2.579) 10.509 13.035 ( -21.465 -7.664 8.232) 24.233 13.366 ( -15.931 -14.860 -4.417) 22.229 14.771 ( -11.977 -4.294 7.893) 14.973 15.224 ( -10.739 -7.209 -12.294) 17.845 15.863 ( -7.112 -4.981 2.066) 8.925 15.957 ( -10.168 -6.040 -2.394) 12.067 17.096 ( 9.375 -6.865 6.275) 13.206 17.496 ( 4.059 5.591 -15.072) 16.580 17.806 ( -5.375 9.419 0.727) 10.869 17.815 ( -5.070 9.611 0.641) 10.885 18.074 ( -13.795 -0.285 13.387) 19.225 18.676 ( -5.746 0.150 -5.937) 8.263 18.720 ( 6.288 2.333 20.179) 21.264 19.530 ( 19.454 1.153 -7.345) 20.826 19.907 ( 0.218 -3.607 0.148) 3.616 20.266 ( 2.468 0.151 -2.390) 3.438 20.317 ( -4.594 2.342 0.677) 5.201 20.706 ( -4.139 -0.376 -3.307) 5.311 21.243 ( -28.640 -8.474 1.242) 29.893 21.625 ( -22.378 -1.627 -11.060) 25.015 22.712 ( -2.152 10.218 22.825) 25.100 23.286 ( -0.665 10.861 -0.064) 10.882 23.730 ( -0.862 -0.429 13.520) 13.554 24.156 ( -2.688 -5.802 -7.416) 9.792 24.371 ( -9.512 0.580 -12.009) 15.331 24.464 ( 5.974 -7.683 -15.356) 18.180 24.597 ( 4.638 -1.848 6.327) 8.060 24.810 ( -3.594 -5.055 -4.671) 7.764 25.027 ( -7.739 -2.090 1.314) 8.124 25.358 ( 1.403 0.028 -12.691) 12.768 26.484 ( 9.710 -9.895 34.170) 36.875 27.588 ( 19.700 -9.979 -22.434) 31.479 28.515 ( 9.677 6.188 17.038) 20.549 28.889 ( -8.692 0.633 -3.186) 9.279 29.009 ( -13.621 3.163 4.183) 14.596 29.525 ( 8.052 2.057 -16.794) 18.737 29.651 ( 7.684 -0.840 -0.179) 7.732 29.829 ( 9.483 -3.339 -4.845) 11.160 30.251 ( -12.673 -1.143 0.954) 12.760 30.316 ( -11.216 -1.113 -1.471) 11.367 30.859 ( 0.307 -1.387 15.613) 15.678 31.252 ( 3.614 0.068 -4.016) 5.404 33.526 ( 2.768 -0.650 1.844) 3.389 33.646 ( 6.190 -0.083 -3.590) 7.156 34.302 ( 0.016 1.860 2.574) 3.176 34.364 ( -0.288 0.754 -0.407) 0.904 35.512 ( 12.895 6.034 3.916) 14.766 35.670 ( 3.591 0.746 -3.268) 4.913 35.785 ( 14.236 3.496 3.605) 15.096 35.971 ( 31.924 6.113 -4.683) 32.839 37.227 ( -41.468 2.538 2.798) 41.640 37.470 ( -42.801 -1.433 -8.890) 43.738 41.026 ( 8.660 -1.261 5.103) 10.131 41.145 ( 9.490 -3.096 -0.853) 10.018 ======================= Grid point 110 (44/75) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -0.000 17.558 8.551) 19.529 0.852 ( -0.000 17.991 11.935) 21.590 1.262 ( -0.000 8.162 -5.698) 9.954 1.387 ( -0.000 9.231 3.639) 9.922 1.422 ( -0.000 8.204 -15.125) 17.207 1.455 ( -0.000 3.686 1.650) 4.039 1.537 ( -0.000 9.820 6.616) 11.841 1.630 ( 0.000 -3.157 2.011) 3.743 1.812 ( -0.000 4.380 -1.482) 4.624 1.958 ( -0.000 1.533 9.797) 9.916 1.991 ( -0.000 4.158 4.918) 6.440 2.086 ( -0.000 2.905 -1.291) 3.178 2.139 ( 0.000 -3.006 1.673) 3.440 2.173 ( -0.000 3.935 -11.720) 12.363 2.225 ( -0.000 2.685 -2.657) 3.777 2.259 ( 0.000 -4.988 -4.808) 6.927 2.376 ( 0.000 -2.937 -0.451) 2.972 2.397 ( 0.000 -1.052 -1.933) 2.200 2.513 ( 0.000 -0.779 6.176) 6.225 2.523 ( 0.000 -3.265 4.418) 5.493 2.594 ( -0.000 1.994 4.090) 4.550 2.658 ( 0.000 -2.259 -2.039) 3.043 2.684 ( 0.000 -1.519 -1.903) 2.435 2.732 ( 0.000 -0.761 -2.004) 2.143 3.584 ( 0.000 -4.833 12.219) 13.140 4.176 ( 0.000 -5.331 -18.057) 18.827 4.580 ( 0.000 -0.481 0.520) 0.708 4.604 ( 0.000 -0.054 -0.457) 0.460 5.267 ( 0.000 -1.665 2.627) 3.111 5.302 ( 0.000 -1.899 2.251) 2.945 5.394 ( 0.000 -0.724 -1.609) 1.764 5.529 ( 0.000 -2.362 -1.490) 2.792 5.684 ( 0.000 -0.078 0.915) 0.918 5.730 ( 0.000 -0.191 -1.011) 1.029 5.808 ( 0.000 -1.530 0.251) 1.551 5.888 ( 0.000 -0.340 -0.247) 0.420 6.936 ( -0.000 0.465 1.085) 1.180 6.988 ( -0.000 0.026 -1.067) 1.067 7.438 ( -0.000 0.250 8.370) 8.374 7.850 ( -0.000 0.607 -8.870) 8.890 11.305 ( 0.000 -7.198 1.283) 7.312 11.354 ( 0.000 -3.527 0.594) 3.577 11.934 ( -0.000 5.759 4.674) 7.418 12.093 ( -0.000 2.941 1.092) 3.138 12.235 ( -0.000 0.116 -10.102) 10.103 12.241 ( 0.000 -2.131 -4.725) 5.183 12.756 ( 0.000 -7.343 10.694) 12.972 12.813 ( 0.000 -15.315 30.137) 33.805 13.081 ( 0.000 -11.213 -5.136) 12.333 13.374 ( 0.000 -20.305 -3.389) 20.586 14.676 ( 0.000 -3.674 8.647) 9.395 15.119 ( 0.000 -2.349 -10.330) 10.594 15.832 ( 0.000 -5.524 1.381) 5.694 15.911 ( 0.000 -7.116 -2.072) 7.411 17.258 ( 0.000 -9.652 3.477) 10.259 17.489 ( -0.000 7.250 -9.788) 12.181 17.671 ( -0.000 10.736 0.973) 10.780 17.684 ( -0.000 10.110 0.666) 10.132 17.934 ( 0.000 -1.124 11.446) 11.501 18.568 ( -0.000 1.389 -16.592) 16.651 18.828 ( 0.000 -2.714 35.141) 35.246 19.856 ( 0.000 -10.225 -16.164) 19.127 19.872 ( -0.000 3.754 13.420) 13.935 20.238 ( 0.000 -8.690 7.300) 11.349 20.407 ( -0.000 1.896 -13.285) 13.419 20.630 ( -0.000 2.242 -15.062) 15.228 20.899 ( 0.000 -1.064 13.878) 13.919 21.404 ( 0.000 -2.400 -10.205) 10.484 22.582 ( -0.000 16.735 24.258) 29.470 23.202 ( -0.000 9.274 0.933) 9.321 23.723 ( 0.000 -0.380 10.877) 10.883 24.161 ( 0.000 -2.010 -9.940) 10.141 24.252 ( -0.000 0.533 -13.844) 13.854 24.595 ( 0.000 -2.198 -24.903) 25.000 24.641 ( -0.000 0.103 6.780) 6.780 24.791 ( 0.000 -0.580 -1.742) 1.836 24.934 ( 0.000 -0.638 0.781) 1.009 25.431 ( 0.000 -4.580 -11.104) 12.012 26.714 ( 0.000 -22.683 41.046) 46.897 27.864 ( 0.000 -9.746 -22.892) 24.880 28.692 ( -0.000 5.078 23.349) 23.895 28.758 ( 0.000 -2.373 1.002) 2.576 28.813 ( 0.000 -2.430 -1.319) 2.764 29.621 ( -0.000 1.770 -25.656) 25.717 29.758 ( 0.000 -1.197 4.335) 4.498 30.030 ( 0.000 -7.669 -6.194) 9.858 30.071 ( -0.000 2.377 1.418) 2.768 30.132 ( -0.000 2.274 -1.149) 2.548 30.878 ( 0.000 -1.258 17.570) 17.615 31.287 ( -0.000 0.580 -4.285) 4.324 33.556 ( 0.000 -0.516 2.085) 2.148 33.710 ( -0.000 0.192 -5.690) 5.694 34.297 ( -0.000 0.393 4.351) 4.369 34.356 ( -0.000 0.889 0.506) 1.024 35.574 ( -0.000 3.439 2.199) 4.082 35.683 ( -0.000 1.441 -2.614) 2.985 36.025 ( -0.000 12.350 7.850) 14.634 36.612 ( -0.000 12.414 -22.095) 25.344 36.648 ( -0.000 0.193 0.569) 0.601 36.674 ( 0.000 -0.037 -0.551) 0.553 41.133 ( 0.000 -3.967 7.696) 8.658 41.266 ( 0.000 -3.702 -0.470) 3.731 ======================= Grid point 115 (45/75) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -1.681 0.000 2.103) 2.693 1.412 ( 0.992 -0.000 3.676) 3.807 1.475 ( -1.873 0.000 -2.316) 2.979 1.533 ( 1.038 -0.000 -1.538) 1.856 1.761 ( -8.326 0.000 2.768) 8.774 1.807 ( -5.750 0.000 1.096) 5.853 1.956 ( -5.631 0.000 0.749) 5.681 2.018 ( -3.085 0.000 -3.963) 5.023 2.025 ( -6.644 0.000 -2.681) 7.164 2.053 ( -4.563 0.000 -2.676) 5.290 2.055 ( 3.965 -0.000 2.036) 4.457 2.134 ( 0.518 -0.000 0.069) 0.523 2.139 ( -0.303 0.000 2.242) 2.262 2.170 ( -0.039 0.000 -0.596) 0.598 2.229 ( 0.992 -0.000 4.076) 4.195 2.318 ( 1.957 -0.000 -0.918) 2.162 2.365 ( 2.630 -0.000 -1.229) 2.903 2.419 ( 5.347 -0.000 -2.879) 6.073 2.469 ( 1.949 -0.000 1.930) 2.743 2.543 ( -0.415 0.000 -1.782) 1.830 2.574 ( -0.113 0.000 1.077) 1.083 2.615 ( -0.715 0.000 -0.232) 0.752 2.778 ( -3.881 0.000 1.562) 4.184 2.862 ( -2.904 0.000 -1.787) 3.410 3.643 ( -6.258 0.000 6.474) 9.004 3.949 ( 2.741 -0.000 -6.737) 7.274 5.068 ( -10.247 0.000 0.640) 10.267 5.101 ( -11.409 0.000 -0.771) 11.435 5.229 ( -0.800 0.000 0.993) 1.276 5.281 ( 0.635 -0.000 -1.752) 1.863 5.418 ( 3.197 -0.000 5.563) 6.416 5.597 ( -5.918 0.000 -2.760) 6.530 5.684 ( 0.891 -0.000 -0.374) 0.966 5.704 ( -4.601 0.000 -1.696) 4.904 5.772 ( -5.650 0.000 0.861) 5.715 5.789 ( -1.884 0.000 -0.164) 1.891 6.519 ( 13.283 -0.000 3.455) 13.725 6.646 ( 12.426 -0.000 -1.989) 12.584 7.505 ( -0.703 0.000 2.345) 2.448 7.650 ( 4.904 -0.000 -3.755) 6.177 11.160 ( -2.462 0.000 3.927) 4.635 11.298 ( -1.404 0.000 -1.549) 2.091 11.820 ( 2.915 -0.000 -3.906) 4.874 11.829 ( -4.153 0.000 -3.517) 5.442 12.055 ( 10.892 -0.000 3.016) 11.302 12.061 ( 11.748 -0.000 1.501) 11.843 13.497 ( -20.097 0.000 9.691) 22.311 13.690 ( -17.169 0.000 5.386) 17.994 14.171 ( -32.258 0.000 -7.364) 33.088 14.287 ( -38.089 0.000 -7.756) 38.870 15.309 ( -21.339 0.000 1.477) 21.390 15.387 ( -3.942 0.000 -3.062) 4.991 16.085 ( -7.469 0.000 8.278) 11.150 16.362 ( -6.694 0.000 -2.257) 7.064 16.522 ( 6.608 -0.000 9.827) 11.843 17.288 ( 11.518 -0.000 -26.448) 28.847 18.200 ( -3.393 0.000 -2.194) 4.040 18.209 ( -4.376 0.000 0.827) 4.453 18.264 ( 11.771 -0.000 17.681) 21.241 18.702 ( -14.094 0.000 12.321) 18.720 18.851 ( 18.334 -0.000 -9.261) 20.540 18.962 ( -4.857 0.000 2.980) 5.699 20.131 ( -7.406 0.000 -3.149) 8.048 20.477 ( -0.928 0.000 -15.214) 15.242 20.480 ( -6.422 0.000 11.095) 12.819 20.798 ( -3.619 0.000 -2.759) 4.550 22.093 ( -13.950 0.000 0.426) 13.957 22.662 ( -15.002 0.000 -25.139) 29.275 22.695 ( 0.016 -0.000 23.764) 23.764 23.416 ( 18.429 -0.000 -10.305) 21.115 23.660 ( -1.755 0.000 2.728) 3.244 23.716 ( -4.667 0.000 12.077) 12.947 23.999 ( -4.604 0.000 11.125) 12.040 24.680 ( 1.162 -0.000 -10.454) 10.519 24.838 ( -17.482 0.000 4.708) 18.105 25.130 ( -20.173 0.000 -7.491) 21.518 25.546 ( -17.804 0.000 5.987) 18.784 25.732 ( -8.490 0.000 -2.894) 8.970 25.987 ( 3.223 -0.000 9.148) 9.699 26.486 ( 24.799 -0.000 -12.225) 27.649 28.310 ( 9.535 -0.000 9.303) 13.321 28.768 ( 21.591 -0.000 -9.636) 23.644 29.369 ( 5.674 -0.000 -1.817) 5.957 29.398 ( 4.267 -0.000 -4.894) 6.493 29.640 ( -16.649 0.000 5.217) 17.447 29.841 ( -14.771 0.000 -3.465) 15.172 30.690 ( 5.856 -0.000 9.091) 10.814 30.720 ( -11.368 0.000 1.890) 11.524 30.819 ( -11.782 0.000 -2.605) 12.066 30.941 ( 11.421 -0.000 -2.226) 11.636 33.338 ( 4.422 -0.000 0.771) 4.488 33.371 ( 5.380 -0.000 -0.637) 5.418 34.395 ( -3.455 0.000 0.661) 3.518 34.444 ( -3.736 0.000 -1.626) 4.074 34.898 ( 17.139 -0.000 3.308) 17.456 35.023 ( 18.094 -0.000 -2.151) 18.221 35.638 ( 1.274 -0.000 0.500) 1.368 35.667 ( 2.032 -0.000 -0.678) 2.142 38.802 ( -37.866 0.000 1.568) 37.898 38.888 ( -35.824 0.000 -2.040) 35.882 40.453 ( 21.832 -0.000 1.629) 21.893 40.519 ( 21.149 -0.000 -1.135) 21.179 ======================= Grid point 117 (46/75) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -2.307 2.264 1.871) 3.735 1.417 ( -1.562 1.441 0.581) 2.203 1.434 ( -1.022 -0.430 0.722) 1.324 1.544 ( 0.173 -0.017 -1.267) 1.279 1.621 ( -6.015 0.882 5.121) 7.949 1.653 ( -7.188 11.368 3.196) 13.825 1.850 ( -9.942 -5.618 -0.095) 11.420 1.895 ( -2.551 1.850 -2.955) 4.319 1.939 ( -3.601 0.752 -7.928) 8.739 2.014 ( -2.378 -4.696 -3.957) 6.585 2.103 ( 1.268 1.671 1.974) 2.880 2.130 ( 1.221 1.109 1.467) 2.207 2.159 ( 0.556 -1.344 1.899) 2.392 2.197 ( 2.007 -1.443 -1.521) 2.902 2.252 ( 1.479 0.471 6.842) 7.016 2.357 ( 0.272 -0.108 -0.744) 0.799 2.386 ( -0.855 0.145 -1.951) 2.134 2.460 ( -3.301 3.980 1.691) 5.440 2.472 ( -0.553 1.918 -1.728) 2.640 2.513 ( 0.836 -0.134 -2.420) 2.564 2.563 ( -1.483 -1.246 1.023) 2.191 2.602 ( 0.257 -0.190 0.098) 0.334 2.699 ( -2.594 1.123 1.374) 3.143 2.765 ( -5.969 1.313 -1.383) 6.266 3.554 ( -3.811 -1.216 8.854) 9.716 3.989 ( 0.879 -2.253 -10.082) 10.368 4.857 ( -12.028 0.049 0.073) 12.028 4.861 ( -12.641 -0.553 -0.157) 12.654 5.222 ( -0.139 -0.322 1.552) 1.591 5.311 ( 1.734 0.096 -2.645) 3.164 5.435 ( -7.354 -0.796 0.525) 7.415 5.439 ( -1.124 -0.347 2.777) 3.017 5.664 ( 1.038 -0.554 0.041) 1.177 5.726 ( -0.901 -0.277 1.885) 2.108 5.755 ( 0.797 -0.581 -2.219) 2.429 5.788 ( 2.948 -0.311 -0.819) 3.075 6.741 ( 10.315 0.023 2.808) 10.690 6.840 ( 8.309 0.222 -1.512) 8.448 7.490 ( -0.743 0.587 4.383) 4.484 7.743 ( 4.954 0.220 -6.138) 7.891 11.135 ( -0.880 -1.752 3.698) 4.186 11.281 ( -0.762 -1.003 -1.961) 2.331 11.788 ( 1.310 2.034 -0.345) 2.444 11.892 ( 4.796 0.099 -5.463) 7.270 12.253 ( 10.291 1.769 3.956) 11.166 12.304 ( 11.240 -5.316 1.387) 12.511 13.120 ( -18.573 0.639 5.664) 19.428 13.222 ( -30.466 1.524 2.459) 30.603 13.516 ( -40.218 -1.319 -2.540) 40.320 13.592 ( -32.085 -5.215 -4.998) 32.888 14.955 ( -17.053 -2.151 6.465) 18.363 15.286 ( -7.685 -1.232 -8.469) 11.502 15.936 ( -8.951 -1.746 4.068) 9.986 16.103 ( -14.971 -1.735 -3.484) 15.469 16.782 ( 13.775 -1.521 10.448) 17.356 17.464 ( 8.074 1.027 -24.158) 25.492 18.077 ( -7.240 2.546 0.328) 7.682 18.094 ( -6.043 3.333 -0.569) 6.925 18.368 ( -13.552 0.741 17.935) 22.491 18.555 ( 10.407 1.019 18.250) 21.034 18.829 ( -8.128 -1.951 -4.813) 9.646 19.215 ( 18.934 0.944 -10.148) 21.503 19.959 ( -8.421 1.243 0.899) 8.559 20.343 ( -4.626 3.926 5.762) 8.367 20.443 ( -4.051 -0.996 -9.824) 10.673 20.744 ( -3.294 -1.634 -3.296) 4.938 21.660 ( -28.706 -0.800 3.069) 28.881 22.162 ( -30.707 3.578 -16.885) 35.225 22.781 ( 2.880 -2.817 22.481) 22.839 23.517 ( 0.124 5.535 -4.796) 7.325 23.712 ( 3.169 -2.910 8.272) 9.324 23.888 ( 3.551 -7.650 6.008) 10.355 24.053 ( 16.332 -3.001 -3.852) 17.047 24.584 ( -7.358 1.234 0.821) 7.505 24.673 ( -8.707 -1.881 -2.326) 9.207 24.741 ( -12.201 0.689 -16.607) 20.619 25.222 ( -15.742 0.108 7.559) 17.463 25.525 ( -10.727 1.517 -9.963) 14.718 26.170 ( 12.427 -1.404 21.624) 24.979 26.979 ( 26.168 -3.260 -16.867) 31.303 28.476 ( 8.744 2.250 13.197) 15.990 29.074 ( 5.057 3.171 -12.172) 13.556 29.339 ( -7.775 3.256 2.299) 8.737 29.446 ( -6.082 -2.530 -5.347) 8.484 29.509 ( 6.486 1.061 -1.813) 6.818 29.604 ( -2.076 -4.253 -1.688) 5.025 30.485 ( -12.415 1.008 1.099) 12.505 30.556 ( -12.349 3.007 -1.193) 12.766 30.791 ( 2.141 -2.996 12.482) 13.014 31.136 ( 7.985 -0.833 -3.587) 8.793 33.435 ( 5.189 -0.377 1.299) 5.363 33.501 ( 7.908 -0.245 -1.518) 8.056 34.350 ( -1.122 0.750 0.732) 1.535 34.392 ( -1.882 0.125 -1.074) 2.170 35.265 ( 22.821 2.358 3.466) 23.203 35.411 ( 21.729 -0.516 -2.686) 21.900 35.685 ( 5.563 0.481 0.369) 5.596 35.707 ( 2.586 0.359 -0.534) 2.665 38.054 ( -41.833 0.660 2.359) 41.904 38.191 ( -39.146 -0.811 -3.447) 39.306 40.800 ( 15.402 0.187 1.934) 15.524 40.862 ( 15.368 -0.821 -0.693) 15.406 ======================= Grid point 118 (47/75) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -3.573 8.628 2.983) 9.803 1.353 ( -2.894 3.196 -2.232) 4.855 1.378 ( -8.877 12.910 4.664) 16.347 1.433 ( -0.051 0.419 2.803) 2.834 1.538 ( -0.539 2.170 -0.479) 2.287 1.553 ( -1.225 -1.857 4.581) 5.092 1.683 ( -7.511 2.853 -7.254) 10.825 1.866 ( -1.172 3.078 -7.267) 7.978 1.906 ( -1.009 -4.374 1.876) 4.865 2.024 ( 0.223 -0.254 -3.119) 3.137 2.100 ( 0.764 3.983 3.257) 5.201 2.138 ( 0.595 2.516 0.457) 2.625 2.163 ( -0.271 2.030 2.931) 3.576 2.192 ( -6.087 5.948 3.197) 9.091 2.245 ( 1.483 -0.419 -1.789) 2.361 2.317 ( 0.047 -0.977 -0.527) 1.111 2.336 ( -3.774 1.217 -2.981) 4.961 2.407 ( -0.738 1.398 1.368) 2.090 2.418 ( -1.210 -0.714 0.475) 1.483 2.525 ( -0.750 0.583 2.383) 2.565 2.573 ( 1.680 -2.378 -2.353) 3.744 2.625 ( 0.623 -2.143 -0.577) 2.305 2.658 ( -3.646 0.986 1.412) 4.033 2.687 ( 0.246 -1.541 -0.013) 1.561 3.518 ( -1.642 -2.272 9.725) 10.121 4.028 ( 0.490 -4.682 -12.952) 13.780 4.654 ( -8.467 -0.461 0.430) 8.491 4.676 ( -7.658 -0.335 -0.475) 7.680 5.227 ( 0.058 -1.000 2.226) 2.441 5.307 ( -1.713 0.776 0.295) 1.903 5.373 ( -1.214 -2.087 -1.519) 2.852 5.431 ( 0.434 -1.939 -0.108) 1.990 5.686 ( -0.102 -0.249 0.816) 0.859 5.737 ( 0.167 -0.349 1.293) 1.350 5.753 ( 0.573 -1.467 -0.253) 1.596 5.854 ( 2.690 -0.269 -1.196) 2.956 6.893 ( 5.766 0.124 1.579) 5.979 6.951 ( 3.942 0.255 -0.980) 4.070 7.467 ( -0.903 0.955 6.630) 6.759 7.822 ( 3.324 0.036 -8.103) 8.759 11.153 ( 0.270 -3.731 3.241) 4.949 11.286 ( -0.119 -2.132 -1.894) 2.854 11.859 ( 8.550 2.232 1.558) 8.973 12.001 ( 7.422 0.889 -4.800) 8.883 12.358 ( 0.172 0.994 4.141) 4.263 12.530 ( 3.448 -4.329 -0.708) 5.579 12.637 ( -23.582 1.451 3.801) 23.930 12.825 ( -18.548 -2.908 -2.574) 18.950 12.929 ( -16.427 -4.928 4.867) 17.828 13.156 ( -20.342 -10.671 -4.123) 23.338 14.710 ( -11.127 -2.966 8.490) 14.307 15.143 ( -8.450 -3.208 -10.375) 13.760 15.802 ( -6.547 -2.627 1.381) 7.188 15.882 ( -9.977 -3.214 -2.244) 10.720 17.018 ( 9.050 -3.028 9.550) 13.501 17.581 ( 6.864 4.297 -18.668) 20.349 17.922 ( -5.460 5.083 1.057) 7.535 17.946 ( -5.106 6.134 0.443) 7.993 18.076 ( -14.036 0.408 12.443) 18.762 18.678 ( -6.590 0.043 -11.614) 13.353 18.757 ( 8.278 1.941 23.814) 25.286 19.540 ( 15.699 0.174 -10.603) 18.945 19.866 ( -0.537 -1.822 6.754) 7.016 20.225 ( -8.419 -1.708 11.083) 14.022 20.394 ( 1.726 3.825 -14.178) 14.786 20.694 ( -3.225 -0.879 -6.823) 7.597 21.150 ( -25.651 -3.607 5.153) 26.411 21.602 ( -24.984 -1.131 -11.767) 27.639 22.816 ( 1.278 3.449 21.419) 21.733 23.466 ( 0.858 10.657 -4.627) 11.649 23.732 ( -0.878 1.186 14.551) 14.625 24.003 ( 0.948 -12.484 -1.003) 12.560 24.316 ( 4.968 -6.979 -4.356) 9.611 24.380 ( -11.876 0.493 -12.869) 17.519 24.622 ( 5.766 2.282 -2.232) 6.591 24.725 ( 1.686 -4.849 -3.185) 6.042 24.992 ( -8.571 -1.710 5.065) 10.101 25.374 ( -3.483 1.398 -16.728) 17.144 26.399 ( 9.401 -2.248 28.783) 30.363 27.479 ( 22.678 -4.107 -24.051) 33.311 28.594 ( 6.867 3.544 14.863) 16.752 28.889 ( -12.290 -0.274 -1.825) 12.428 29.057 ( -18.163 2.424 2.628) 18.512 29.526 ( 8.751 -0.783 -13.139) 15.805 29.646 ( 7.859 0.343 -2.476) 8.247 29.758 ( 8.644 -4.656 -3.686) 10.487 30.253 ( -11.370 0.772 0.924) 11.434 30.317 ( -11.381 0.640 -1.428) 11.489 30.840 ( 1.511 -0.999 16.379) 16.479 31.251 ( 4.090 -0.125 -3.987) 5.713 33.517 ( 3.038 -0.391 2.118) 3.724 33.642 ( 6.207 -0.249 -3.277) 7.024 34.332 ( -0.022 1.657 1.143) 2.013 34.371 ( -0.327 0.119 -0.581) 0.677 35.587 ( 7.224 3.467 1.707) 8.193 35.676 ( 6.314 -0.011 -2.900) 6.948 35.829 ( 19.810 1.946 5.616) 20.683 36.034 ( 31.458 2.215 -3.639) 31.745 37.259 ( -41.542 1.418 2.822) 41.662 37.452 ( -40.796 -0.790 -5.573) 41.182 41.018 ( 8.140 0.131 3.117) 8.718 41.100 ( 8.576 -2.430 -0.523) 8.929 ======================= Grid point 119 (48/75) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -0.000 13.348 4.762) 14.172 1.138 ( -0.000 17.473 7.744) 19.112 1.325 ( -0.000 1.573 -4.979) 5.221 1.426 ( -0.000 0.734 2.118) 2.242 1.513 ( -0.000 2.941 0.287) 2.955 1.555 ( -0.000 7.508 -12.157) 14.289 1.576 ( 0.000 -3.625 3.985) 5.387 1.802 ( -0.000 11.317 -4.201) 12.072 1.930 ( -0.000 14.121 3.924) 14.656 1.933 ( 0.000 -4.422 7.292) 8.529 2.068 ( -0.000 5.128 3.674) 6.309 2.129 ( 0.000 -0.367 0.285) 0.465 2.132 ( -0.000 2.566 -0.116) 2.569 2.165 ( 0.000 -3.881 -1.939) 4.338 2.228 ( -0.000 2.602 -7.563) 7.998 2.276 ( -0.000 2.998 -2.866) 4.148 2.333 ( 0.000 -2.175 -0.046) 2.175 2.389 ( 0.000 -0.214 -2.516) 2.525 2.463 ( 0.000 -4.137 5.129) 6.589 2.502 ( 0.000 -0.241 5.340) 5.346 2.618 ( 0.000 -2.632 -2.337) 3.520 2.618 ( -0.000 0.943 2.956) 3.103 2.650 ( 0.000 -2.538 -1.257) 2.833 2.708 ( 0.000 -2.168 -1.114) 2.437 3.525 ( 0.000 -3.049 10.084) 10.535 4.079 ( 0.000 -6.226 -15.590) 16.787 4.573 ( 0.000 -0.377 0.661) 0.761 4.602 ( 0.000 -0.090 -0.559) 0.566 5.238 ( 0.000 -1.665 2.472) 2.981 5.285 ( 0.000 -0.096 1.858) 1.861 5.376 ( 0.000 -1.485 -2.043) 2.525 5.472 ( 0.000 -4.083 -0.612) 4.128 5.682 ( 0.000 -0.068 0.877) 0.879 5.727 ( 0.000 -0.166 -0.976) 0.990 5.783 ( 0.000 -1.392 1.391) 1.968 5.883 ( 0.000 -0.311 -0.828) 0.885 6.944 ( -0.000 0.461 0.902) 1.013 6.988 ( 0.000 -0.006 -0.934) 0.934 7.449 ( -0.000 1.040 7.982) 8.050 7.855 ( -0.000 0.017 -9.004) 9.004 11.195 ( 0.000 -5.703 2.803) 6.355 11.306 ( 0.000 -2.820 -1.245) 3.082 12.038 ( -0.000 7.074 3.301) 7.806 12.078 ( 0.000 -3.124 2.046) 3.735 12.243 ( -0.000 1.014 -6.770) 6.845 12.263 ( -0.000 3.486 -6.020) 6.957 12.629 ( 0.000 -8.169 8.086) 11.494 12.696 ( 0.000 -2.053 14.458) 14.603 12.896 ( 0.000 -11.076 -4.692) 12.029 13.070 ( 0.000 -16.631 -3.692) 17.036 14.620 ( 0.000 -3.081 9.075) 9.584 15.074 ( 0.000 -2.944 -10.386) 10.795 15.760 ( 0.000 -3.419 0.571) 3.467 15.815 ( 0.000 -4.622 -1.832) 4.972 17.140 ( 0.000 -5.074 8.126) 9.580 17.618 ( -0.000 7.944 -16.351) 18.178 17.818 ( -0.000 6.839 1.309) 6.963 17.832 ( -0.000 7.935 2.460) 8.307 17.923 ( -0.000 0.029 10.614) 10.614 18.591 ( -0.000 1.367 -17.275) 17.329 18.833 ( -0.000 1.931 29.883) 29.946 19.730 ( 0.000 -5.917 -13.491) 14.732 19.932 ( -0.000 3.576 12.913) 13.399 20.103 ( 0.000 -7.462 9.007) 11.697 20.437 ( -0.000 1.725 -12.163) 12.285 20.643 ( 0.000 -0.054 -16.922) 16.922 20.883 ( 0.000 -0.949 12.763) 12.798 21.364 ( 0.000 -2.435 -10.066) 10.356 22.781 ( -0.000 8.010 21.628) 23.063 23.377 ( -0.000 12.625 -1.020) 12.666 23.717 ( 0.000 -0.330 11.331) 11.336 24.085 ( 0.000 -7.629 -5.480) 9.393 24.261 ( -0.000 0.474 -13.940) 13.948 24.443 ( 0.000 -11.758 -1.654) 11.873 24.643 ( -0.000 0.135 6.402) 6.403 24.782 ( 0.000 -0.574 -1.564) 1.666 24.936 ( 0.000 -1.413 -9.266) 9.373 25.363 ( 0.000 -2.596 -16.394) 16.598 26.520 ( 0.000 -5.028 33.503) 33.878 27.758 ( 0.000 -3.989 -29.904) 30.169 28.722 ( 0.000 -1.976 0.976) 2.204 28.766 ( -0.000 3.956 23.335) 23.668 28.776 ( 0.000 -2.041 -1.302) 2.421 29.624 ( 0.000 -0.540 -17.106) 17.114 29.744 ( 0.000 -0.385 -1.609) 1.655 29.915 ( 0.000 -6.510 -4.815) 8.097 30.107 ( -0.000 1.980 1.393) 2.421 30.166 ( -0.000 1.903 -1.113) 2.205 30.862 ( 0.000 -0.771 17.769) 17.785 31.291 ( -0.000 0.023 -4.036) 4.036 33.549 ( 0.000 -0.385 2.415) 2.446 33.708 ( 0.000 -0.333 -4.717) 4.729 34.319 ( -0.000 1.836 2.110) 2.797 34.368 ( -0.000 0.471 -0.289) 0.553 35.615 ( -0.000 1.919 1.404) 2.378 35.706 ( -0.000 1.245 -2.881) 3.138 36.195 ( -0.000 8.342 10.303) 13.257 36.651 ( -0.000 0.188 0.486) 0.521 36.674 ( 0.000 -0.050 -0.472) 0.475 36.728 ( -0.000 3.741 -13.517) 14.025 41.098 ( 0.000 -0.823 4.711) 4.783 41.207 ( 0.000 -3.510 -0.579) 3.557 ======================= Grid point 126 (49/75) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -1.254 0.000 0.559) 1.373 1.360 ( -3.610 0.000 -2.356) 4.311 1.438 ( 0.473 -0.000 4.010) 4.038 1.523 ( -2.559 0.000 4.881) 5.512 1.558 ( -0.688 0.000 1.793) 1.920 1.578 ( -10.947 0.000 3.155) 11.393 1.626 ( -5.128 0.000 0.926) 5.211 1.903 ( 0.955 -0.000 -3.131) 3.273 1.903 ( -1.013 0.000 -9.949) 10.000 1.961 ( 0.616 -0.000 -5.838) 5.870 2.145 ( 0.294 -0.000 2.704) 2.720 2.153 ( 1.567 -0.000 1.062) 1.893 2.177 ( 2.398 -0.000 2.931) 3.787 2.228 ( 0.867 -0.000 -0.217) 0.893 2.281 ( 0.944 -0.000 4.191) 4.296 2.315 ( -4.115 0.000 -2.762) 4.956 2.339 ( -2.520 0.000 -0.772) 2.636 2.415 ( -4.589 0.000 0.216) 4.594 2.427 ( -2.584 0.000 1.789) 3.143 2.530 ( -1.220 0.000 2.726) 2.987 2.550 ( 2.430 -0.000 -3.615) 4.355 2.604 ( -0.023 0.000 -0.357) 0.358 2.666 ( -4.432 0.000 0.586) 4.471 2.673 ( -0.405 0.000 0.228) 0.465 3.498 ( -1.698 0.000 9.830) 9.976 3.986 ( 0.048 -0.000 -11.579) 11.579 4.650 ( -8.395 0.000 0.534) 8.412 4.674 ( -7.476 0.000 -0.449) 7.489 5.219 ( -0.057 0.000 2.153) 2.154 5.333 ( 0.351 -0.000 -2.729) 2.751 5.335 ( -3.024 0.000 0.993) 3.183 5.415 ( -0.545 0.000 -0.516) 0.751 5.684 ( 0.048 -0.000 0.814) 0.816 5.737 ( -1.161 0.000 -1.209) 1.676 5.738 ( 2.306 -0.000 2.622) 3.492 5.852 ( 2.696 -0.000 -1.473) 3.072 6.894 ( 5.873 -0.000 1.585) 6.083 6.953 ( 3.809 -0.000 -1.021) 3.944 7.476 ( -0.868 0.000 6.470) 6.528 7.822 ( 3.170 -0.000 -7.920) 8.531 11.122 ( 0.133 -0.000 3.354) 3.357 11.267 ( -0.269 0.000 -2.356) 2.371 11.878 ( 7.892 -0.000 1.483) 8.030 12.007 ( 7.840 -0.000 -4.550) 9.065 12.372 ( -0.871 0.000 2.977) 3.102 12.480 ( 10.778 -0.000 2.216) 11.004 12.667 ( -26.744 0.000 0.849) 26.758 12.794 ( -29.109 0.000 -0.851) 29.121 12.895 ( -8.387 0.000 2.246) 8.683 13.062 ( -22.817 0.000 -4.386) 23.235 14.685 ( -10.604 0.000 8.771) 13.761 15.118 ( -8.216 0.000 -9.994) 12.937 15.781 ( -6.208 0.000 1.121) 6.308 15.857 ( -9.818 0.000 -2.232) 10.068 16.995 ( 9.049 -0.000 10.841) 14.122 17.617 ( 7.712 -0.000 -19.497) 20.967 17.963 ( -5.727 0.000 1.156) 5.843 17.997 ( -5.053 0.000 -0.175) 5.056 18.080 ( -14.074 0.000 12.072) 18.542 18.678 ( -6.606 0.000 -13.492) 15.023 18.773 ( 9.359 -0.000 25.476) 27.141 19.540 ( 13.986 -0.000 -11.310) 17.986 19.850 ( -1.039 0.000 9.220) 9.278 20.214 ( -9.484 0.000 11.256) 14.719 20.425 ( 1.115 -0.000 -15.055) 15.096 20.686 ( -2.737 0.000 -8.454) 8.886 21.122 ( -24.728 0.000 6.269) 25.511 21.593 ( -26.081 0.000 -12.026) 28.721 22.840 ( 2.403 -0.000 21.098) 21.234 23.566 ( 2.755 -0.000 -8.205) 8.655 23.796 ( -5.836 0.000 9.829) 11.430 23.826 ( 6.681 -0.000 8.395) 10.729 24.260 ( 4.037 -0.000 -4.183) 5.813 24.385 ( -12.306 0.000 -12.932) 17.851 24.653 ( 11.090 -0.000 -6.071) 12.643 24.673 ( -2.437 0.000 1.401) 2.811 24.978 ( -9.424 0.000 5.866) 11.100 25.387 ( -4.530 0.000 -17.815) 18.382 26.384 ( 9.773 -0.000 27.318) 29.013 27.448 ( 23.838 -0.000 -24.159) 33.940 28.623 ( 5.849 -0.000 14.015) 15.186 28.886 ( -13.292 0.000 -1.342) 13.359 29.078 ( -20.926 0.000 1.600) 20.987 29.518 ( 10.062 -0.000 -10.359) 14.442 29.656 ( 8.031 -0.000 -6.193) 10.141 29.711 ( 8.615 -0.000 -1.165) 8.693 30.261 ( -11.148 0.000 0.479) 11.159 30.324 ( -11.701 0.000 -1.595) 11.809 30.831 ( 2.109 -0.000 16.808) 16.940 31.250 ( 4.264 -0.000 -4.012) 5.855 33.514 ( 3.143 -0.000 2.240) 3.860 33.640 ( 6.215 -0.000 -3.131) 6.959 34.348 ( 0.233 -0.000 0.504) 0.555 34.370 ( -0.571 0.000 -0.411) 0.704 35.617 ( 2.859 -0.000 0.653) 2.933 35.674 ( 9.519 -0.000 -2.636) 9.878 35.845 ( 21.809 -0.000 6.280) 22.696 36.050 ( 31.112 -0.000 -3.294) 31.285 37.271 ( -41.533 0.000 2.785) 41.627 37.446 ( -40.173 0.000 -4.636) 40.439 41.022 ( 8.176 -0.000 2.204) 8.468 41.078 ( 8.113 -0.000 -0.123) 8.114 ======================= Grid point 128 (50/75) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -0.000 6.888 1.173) 6.987 1.330 ( 0.000 -0.934 -2.709) 2.865 1.389 ( -0.000 13.042 4.529) 13.806 1.438 ( -0.000 0.876 3.566) 3.672 1.518 ( 0.000 -3.097 6.213) 6.942 1.549 ( -0.000 1.313 0.470) 1.394 1.597 ( 0.000 -3.799 -3.896) 5.442 1.883 ( -0.000 2.038 -9.839) 10.048 1.900 ( -0.000 2.486 0.652) 2.570 2.026 ( 0.000 -7.436 -5.185) 9.065 2.133 ( -0.000 3.193 3.046) 4.413 2.160 ( -0.000 1.458 0.583) 1.570 2.167 ( -0.000 8.769 0.717) 8.798 2.207 ( -0.000 3.432 2.952) 4.526 2.254 ( -0.000 0.851 -4.153) 4.239 2.308 ( -0.000 0.503 -1.384) 1.472 2.314 ( -0.000 0.421 0.771) 0.879 2.373 ( 0.000 -2.290 -0.504) 2.345 2.406 ( 0.000 -2.246 5.489) 5.931 2.510 ( -0.000 0.841 3.341) 3.445 2.582 ( 0.000 -1.401 -2.676) 3.021 2.611 ( 0.000 -1.784 -0.358) 1.819 2.624 ( 0.000 -0.075 1.813) 1.815 2.676 ( 0.000 -1.299 -1.116) 1.713 3.488 ( 0.000 -1.327 9.980) 10.067 3.999 ( 0.000 -3.137 -12.651) 13.034 4.569 ( 0.000 -0.141 0.738) 0.751 4.601 ( 0.000 -0.043 -0.611) 0.612 5.220 ( 0.000 -0.557 2.298) 2.365 5.299 ( -0.000 1.681 0.823) 1.871 5.346 ( 0.000 -2.218 -2.246) 3.157 5.420 ( 0.000 -1.854 -1.094) 2.153 5.682 ( 0.000 -0.027 0.852) 0.852 5.725 ( 0.000 -0.065 -0.954) 0.956 5.767 ( 0.000 -0.484 2.341) 2.390 5.878 ( 0.000 -0.160 -1.281) 1.291 6.950 ( -0.000 0.201 0.761) 0.787 6.988 ( 0.000 -0.015 -0.831) 0.831 7.464 ( -0.000 0.631 7.651) 7.677 7.853 ( 0.000 -0.115 -8.671) 8.672 11.133 ( 0.000 -2.004 3.150) 3.733 11.271 ( 0.000 -1.319 -2.273) 2.628 12.037 ( 0.000 -1.495 4.114) 4.377 12.139 ( -0.000 4.481 2.034) 4.921 12.261 ( -0.000 0.800 -4.188) 4.264 12.309 ( -0.000 1.695 -7.943) 8.122 12.519 ( 0.000 -4.642 6.688) 8.141 12.695 ( -0.000 0.864 6.529) 6.586 12.760 ( 0.000 -5.043 -4.685) 6.883 12.877 ( 0.000 -6.784 -1.998) 7.072 14.585 ( 0.000 -1.187 9.186) 9.262 15.037 ( 0.000 -1.354 -10.213) 10.303 15.724 ( 0.000 -1.084 0.068) 1.086 15.767 ( 0.000 -1.496 -1.753) 2.304 17.091 ( 0.000 -1.432 11.091) 11.183 17.713 ( -0.000 3.391 -20.034) 20.319 17.870 ( -0.000 0.696 6.759) 6.795 17.925 ( -0.000 3.391 4.688) 5.786 17.941 ( -0.000 1.256 3.615) 3.827 18.608 ( -0.000 0.589 -17.436) 17.446 18.862 ( -0.000 1.215 27.973) 28.000 19.664 ( 0.000 -2.290 -9.648) 9.917 19.975 ( -0.000 1.495 12.447) 12.537 20.019 ( 0.000 -2.709 8.081) 8.523 20.457 ( -0.000 0.706 -11.405) 11.427 20.639 ( 0.000 -0.238 -18.391) 18.392 20.872 ( 0.000 -0.373 11.929) 11.935 21.334 ( 0.000 -1.069 -9.921) 9.978 22.855 ( -0.000 1.948 20.449) 20.541 23.572 ( -0.000 9.902 -9.907) 14.008 23.713 ( 0.000 -0.129 11.632) 11.632 23.937 ( 0.000 -8.853 5.043) 10.189 24.266 ( -0.000 0.189 -13.989) 13.990 24.306 ( 0.000 -4.503 1.489) 4.743 24.645 ( -0.000 0.069 6.119) 6.120 24.775 ( 0.000 -0.247 -1.425) 1.446 24.903 ( 0.000 -1.641 -5.028) 5.289 25.349 ( -0.000 0.026 -20.736) 20.736 26.485 ( 0.000 -0.558 30.313) 30.318 27.722 ( 0.000 -0.883 -31.621) 31.634 28.699 ( 0.000 -0.755 0.957) 1.219 28.752 ( 0.000 -0.784 -1.288) 1.508 28.811 ( -0.000 1.498 22.385) 22.435 29.616 ( 0.000 -0.351 -10.182) 10.188 29.751 ( -0.000 1.132 -8.578) 8.652 29.831 ( 0.000 -3.645 -3.390) 4.978 30.130 ( -0.000 0.757 1.379) 1.573 30.188 ( -0.000 0.730 -1.092) 1.313 30.853 ( 0.000 -0.298 18.056) 18.058 31.290 ( 0.000 -0.028 -4.019) 4.019 33.545 ( 0.000 -0.140 2.683) 2.687 33.703 ( 0.000 -0.166 -4.168) 4.171 34.346 ( -0.000 1.314 0.740) 1.508 34.368 ( 0.000 -0.384 -0.213) 0.439 35.636 ( -0.000 0.663 1.088) 1.274 35.720 ( -0.000 0.482 -3.058) 3.095 36.283 ( -0.000 2.739 10.731) 11.076 36.653 ( -0.000 0.081 0.423) 0.431 36.673 ( 0.000 -0.027 -0.412) 0.412 36.760 ( -0.000 0.812 -10.087) 10.120 41.097 ( -0.000 0.382 2.750) 2.776 41.162 ( 0.000 -1.830 -0.051) 1.831 ======================= Grid point 170 (51/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.000 0.000 -19.218) 19.218 0.885 ( 0.000 0.000 19.218) 19.218 0.896 ( 0.000 0.000 -21.927) 21.927 0.896 ( 0.000 0.000 21.927) 21.927 1.347 ( 0.000 0.000 -17.424) 17.424 1.347 ( 0.000 0.000 17.424) 17.424 1.566 ( 0.000 0.000 -8.351) 8.351 1.566 ( 0.000 0.000 8.351) 8.351 1.795 ( 0.000 0.000 -6.495) 6.495 1.795 ( 0.000 0.000 6.495) 6.495 2.024 ( 0.000 0.000 -3.033) 3.033 2.024 ( 0.000 0.000 3.033) 3.033 2.071 ( 0.000 0.000 -7.175) 7.175 2.071 ( 0.000 0.000 7.175) 7.175 2.269 ( 0.000 0.000 -3.559) 3.559 2.269 ( 0.000 0.000 3.559) 3.559 2.422 ( 0.000 0.000 -0.840) 0.840 2.422 ( 0.000 0.000 0.840) 0.840 2.603 ( 0.000 0.000 -2.454) 2.454 2.603 ( 0.000 0.000 2.454) 2.454 2.647 ( 0.000 0.000 -3.328) 3.328 2.647 ( 0.000 0.000 3.328) 3.328 2.679 ( 0.000 0.000 -3.619) 3.619 2.679 ( 0.000 0.000 3.619) 3.619 4.002 ( 0.000 0.000 -9.052) 9.052 4.002 ( 0.000 0.000 9.052) 9.052 4.597 ( 0.000 0.000 -0.364) 0.364 4.597 ( 0.000 0.000 0.364) 0.364 5.336 ( 0.000 0.000 -0.462) 0.462 5.336 ( 0.000 0.000 0.462) 0.462 5.417 ( 0.000 0.000 -3.263) 3.263 5.417 ( 0.000 0.000 3.263) 3.263 5.709 ( 0.000 0.000 -1.429) 1.429 5.709 ( 0.000 0.000 1.429) 1.429 5.884 ( 0.000 0.000 -1.702) 1.702 5.884 ( 0.000 0.000 1.702) 1.702 6.958 ( 0.000 0.000 -1.747) 1.747 6.958 ( 0.000 0.000 1.747) 1.747 7.641 ( 0.000 0.000 -11.608) 11.608 7.641 ( 0.000 0.000 11.608) 11.608 11.450 ( 0.000 0.000 -4.684) 4.684 11.450 ( 0.000 0.000 4.684) 4.684 12.000 ( 0.000 0.000 -11.084) 11.084 12.000 ( 0.000 0.000 11.084) 11.084 12.141 ( 0.000 0.000 -11.309) 11.309 12.141 ( 0.000 0.000 11.309) 11.309 13.127 ( 0.000 0.000 -10.968) 10.968 13.127 ( 0.000 0.000 10.968) 10.968 13.824 ( 0.000 0.000 -2.426) 2.426 13.824 ( 0.000 0.000 2.426) 2.426 14.937 ( 0.000 0.000 -11.768) 11.768 14.937 ( 0.000 0.000 11.768) 11.768 16.021 ( 0.000 0.000 -3.113) 3.113 16.021 ( 0.000 0.000 3.113) 3.113 17.452 ( 0.000 0.000 -1.117) 1.117 17.452 ( 0.000 0.000 1.117) 1.117 17.479 ( 0.000 0.000 -2.696) 2.696 17.479 ( 0.000 0.000 2.696) 2.696 18.229 ( 0.000 0.000 -16.738) 16.738 18.229 ( 0.000 0.000 16.738) 16.738 19.860 ( 0.000 0.000 -16.226) 16.226 19.860 ( 0.000 0.000 16.226) 16.226 20.087 ( 0.000 0.000 -15.597) 15.597 20.087 ( 0.000 0.000 15.597) 15.597 20.331 ( 0.000 0.000 -2.192) 2.192 20.331 ( 0.000 0.000 2.192) 2.192 21.203 ( 0.000 0.000 -14.782) 14.782 21.203 ( 0.000 0.000 14.782) 14.782 22.584 ( 0.000 0.000 -6.878) 6.878 22.584 ( 0.000 0.000 6.878) 6.878 23.972 ( 0.000 0.000 -14.506) 14.506 23.972 ( 0.000 0.000 14.506) 14.506 24.035 ( 0.000 0.000 -12.673) 12.673 24.035 ( 0.000 0.000 12.673) 12.673 24.745 ( 0.000 0.000 -4.226) 4.226 24.745 ( 0.000 0.000 4.226) 4.226 25.295 ( 0.000 0.000 -10.297) 10.297 25.295 ( 0.000 0.000 10.297) 10.297 28.247 ( 0.000 0.000 -9.492) 9.492 28.247 ( 0.000 0.000 9.492) 9.492 28.831 ( 0.000 0.000 -1.647) 1.647 28.831 ( 0.000 0.000 1.647) 1.647 28.847 ( 0.000 0.000 -1.673) 1.673 28.847 ( 0.000 0.000 1.673) 1.673 29.971 ( 0.000 0.000 -12.098) 12.098 29.971 ( 0.000 0.000 12.098) 12.098 30.057 ( 0.000 0.000 -1.864) 1.864 30.057 ( 0.000 0.000 1.864) 1.864 31.122 ( 0.000 0.000 -4.650) 4.650 31.122 ( 0.000 0.000 4.650) 4.650 33.609 ( 0.000 0.000 -1.028) 1.028 33.609 ( 0.000 0.000 1.028) 1.028 34.421 ( 0.000 0.000 -4.416) 4.416 34.421 ( 0.000 0.000 4.416) 4.416 35.516 ( 0.000 0.000 -4.289) 4.289 35.516 ( 0.000 0.000 4.289) 4.289 35.764 ( 0.000 0.000 -1.028) 1.028 35.764 ( 0.000 0.000 1.028) 1.028 36.660 ( 0.000 0.000 -0.912) 0.912 36.660 ( 0.000 0.000 0.912) 0.912 41.353 ( 0.000 0.000 -0.964) 0.964 41.353 ( 0.000 0.000 0.964) 0.964 ======================= Grid point 172 (52/75) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 8.540 -2.710 -7.561) 11.723 0.965 ( 8.540 -2.710 7.561) 11.723 1.055 ( 11.077 -2.767 -7.775) 13.814 1.055 ( 11.077 -2.767 7.775) 13.814 1.446 ( 6.884 -1.573 -7.236) 10.110 1.446 ( 6.884 -1.573 7.236) 10.110 1.593 ( 3.761 -2.148 -9.789) 10.704 1.593 ( 3.761 -2.148 9.789) 10.704 1.827 ( 3.776 -1.665 -10.025) 10.841 1.827 ( 3.776 -1.665 10.025) 10.841 2.031 ( 0.982 -0.389 -3.248) 3.415 2.031 ( 0.982 -0.389 3.248) 3.415 2.121 ( 4.288 -1.156 -5.716) 7.239 2.121 ( 4.288 -1.156 5.716) 7.239 2.275 ( 1.198 1.447 -3.707) 4.156 2.275 ( 1.198 1.447 3.707) 4.156 2.408 ( -1.076 1.030 -0.809) 1.695 2.408 ( -1.076 1.030 0.809) 1.695 2.567 ( -3.712 0.314 -1.177) 3.906 2.567 ( -3.712 0.314 1.177) 3.906 2.625 ( -2.256 -0.463 -0.760) 2.425 2.625 ( -2.256 -0.463 0.760) 2.425 2.665 ( -1.457 0.030 -3.301) 3.608 2.665 ( -1.457 0.030 3.301) 3.608 3.939 ( -3.872 2.241 -13.133) 13.874 3.939 ( -3.872 2.241 13.133) 13.874 4.692 ( 9.018 0.397 -1.989) 9.243 4.692 ( 9.018 0.397 1.989) 9.243 5.314 ( -2.067 -0.272 -1.162) 2.387 5.314 ( -2.067 -0.272 1.162) 2.387 5.435 ( 2.470 0.095 -2.494) 3.512 5.435 ( 2.470 0.095 2.494) 3.512 5.742 ( 2.282 0.268 -2.768) 3.597 5.742 ( 2.282 0.268 2.768) 3.597 5.859 ( -2.249 0.390 -1.554) 2.762 5.859 ( -2.249 0.390 1.554) 2.762 6.919 ( -4.396 -0.007 -1.193) 4.555 6.919 ( -4.396 -0.007 1.193) 4.555 7.630 ( -1.080 0.095 -10.421) 10.477 7.630 ( -1.080 0.095 10.421) 10.477 11.427 ( -1.432 2.148 -3.808) 4.600 11.427 ( -1.432 2.148 3.808) 4.600 11.786 ( -10.556 -1.559 -2.145) 10.884 11.786 ( -10.556 -1.559 2.145) 10.884 12.487 ( 21.371 0.445 -4.513) 21.847 12.487 ( 21.371 0.445 4.513) 21.847 13.123 ( -3.362 4.468 -9.825) 11.305 13.123 ( -3.362 4.468 9.825) 11.305 13.614 ( -2.395 6.535 -12.108) 13.966 13.614 ( -2.395 6.535 12.108) 13.966 15.115 ( 13.673 2.594 -19.147) 23.670 15.115 ( 13.673 2.594 19.147) 23.670 16.075 ( 6.301 2.576 -2.761) 7.346 16.075 ( 6.301 2.576 2.761) 7.346 17.368 ( -6.065 2.182 -2.985) 7.103 17.368 ( -6.065 2.182 2.985) 7.103 17.558 ( 6.983 -2.490 -1.374) 7.540 17.558 ( 6.983 -2.490 1.374) 7.540 18.395 ( 15.621 0.421 -16.647) 22.832 18.395 ( 15.621 0.421 16.647) 22.832 19.344 ( -33.943 4.266 -12.260) 36.340 19.344 ( -33.943 4.266 12.260) 36.340 19.926 ( -3.315 -1.849 -9.402) 10.140 19.926 ( -3.315 -1.849 9.402) 10.140 20.625 ( 10.554 0.987 -6.258) 12.310 20.625 ( 10.554 0.987 6.258) 12.310 21.527 ( 22.146 3.444 -5.953) 23.190 21.527 ( 22.146 3.444 5.953) 23.190 22.713 ( 8.929 -10.364 -10.832) 17.449 22.713 ( 8.929 -10.364 10.832) 17.449 24.035 ( 2.722 1.310 -12.028) 12.401 24.035 ( 2.722 1.310 12.028) 12.401 24.106 ( 9.918 -2.800 -9.984) 14.349 24.106 ( 9.918 -2.800 9.984) 14.349 24.866 ( 12.369 1.242 -1.772) 12.557 24.866 ( 12.369 1.242 1.772) 12.557 25.228 ( -6.015 1.272 -9.841) 11.603 25.228 ( -6.015 1.272 9.841) 11.603 27.960 ( -20.572 35.816 -15.607) 44.153 27.960 ( -20.572 35.816 15.607) 44.153 28.485 ( -23.390 -22.897 -14.555) 35.822 28.485 ( -23.390 -22.897 14.555) 35.822 29.000 ( 10.009 -3.710 -2.703) 11.012 29.000 ( 10.009 -3.710 2.703) 11.012 29.772 ( -9.519 0.485 -4.674) 10.616 29.772 ( -9.519 0.485 4.674) 10.616 30.344 ( 13.783 1.921 -2.057) 14.067 30.344 ( 13.783 1.921 2.057) 14.067 31.101 ( -1.226 -0.798 -6.871) 7.025 31.101 ( -1.226 -0.798 6.871) 7.025 33.579 ( -3.038 -0.008 -1.580) 3.424 33.579 ( -3.038 -0.008 1.580) 3.424 34.366 ( -2.917 1.316 -0.423) 3.228 34.366 ( -2.917 1.316 0.423) 3.228 35.396 ( -14.175 -6.807 -4.787) 16.437 35.396 ( -14.175 -6.807 4.787) 16.437 35.683 ( -4.199 -2.026 -0.600) 4.701 35.683 ( -4.199 -2.026 0.600) 4.701 37.237 ( 45.791 -1.387 -7.876) 46.484 37.237 ( 45.791 -1.387 7.876) 46.484 41.206 ( -13.262 1.743 -1.909) 13.511 41.206 ( -13.262 1.743 1.909) 13.511 ======================= Grid point 174 (53/75) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 10.018 -3.470 -5.377) 11.888 1.183 ( 10.018 -3.470 5.377) 11.888 1.288 ( 11.328 -3.785 -5.409) 13.111 1.288 ( 11.328 -3.785 5.409) 13.111 1.505 ( 0.637 0.238 -3.008) 3.084 1.505 ( 0.637 0.238 3.008) 3.084 1.745 ( 7.488 -1.924 -2.671) 8.180 1.745 ( 7.488 -1.924 2.671) 8.180 2.006 ( 10.270 -2.968 -8.660) 13.757 2.006 ( 10.270 -2.968 8.660) 13.757 2.072 ( 3.584 -1.391 -4.355) 5.809 2.072 ( 3.584 -1.391 4.355) 5.809 2.223 ( 4.332 -1.678 -2.313) 5.190 2.223 ( 4.332 -1.678 2.313) 5.190 2.297 ( 3.635 2.173 -4.633) 6.277 2.297 ( 3.635 2.173 4.633) 6.277 2.372 ( -1.259 1.659 -0.567) 2.158 2.372 ( -1.259 1.659 0.567) 2.158 2.474 ( -5.060 0.977 -2.043) 5.544 2.474 ( -5.060 0.977 2.043) 5.544 2.572 ( -4.095 -1.787 -0.845) 4.547 2.572 ( -4.095 -1.787 0.845) 4.547 2.634 ( -1.991 -1.219 -0.353) 2.361 2.634 ( -1.991 -1.219 0.353) 2.361 3.873 ( -1.350 1.302 -14.173) 14.297 3.873 ( -1.350 1.302 14.173) 14.297 4.887 ( 11.687 0.643 -1.914) 11.860 4.887 ( 11.687 0.643 1.914) 11.860 5.278 ( -1.814 -0.120 -1.056) 2.103 5.278 ( -1.814 -0.120 1.056) 2.103 5.506 ( 4.879 0.697 -0.038) 4.929 5.506 ( 4.879 0.697 0.038) 4.929 5.747 ( -1.337 0.820 -2.189) 2.692 5.747 ( -1.337 0.820 2.189) 2.692 5.818 ( -0.826 0.829 -1.116) 1.617 5.818 ( -0.826 0.829 1.116) 1.617 6.790 ( -9.441 -0.029 -1.184) 9.515 6.790 ( -9.441 -0.029 1.184) 9.515 7.599 ( -1.995 0.439 -7.639) 7.908 7.599 ( -1.995 0.439 7.639) 7.908 11.375 ( -1.429 2.932 -1.965) 3.808 11.375 ( -1.429 2.932 1.965) 3.808 11.671 ( -4.376 -3.152 -2.365) 5.889 11.671 ( -4.376 -3.152 2.365) 5.889 12.557 ( -13.101 4.549 -15.507) 20.804 12.557 ( -13.101 4.549 15.507) 20.804 13.193 ( 20.818 2.221 -6.888) 22.040 13.193 ( 20.818 2.221 6.888) 22.040 13.863 ( 27.271 4.218 -5.495) 28.137 13.863 ( 27.271 4.218 5.495) 28.137 15.297 ( 8.616 4.329 -15.451) 18.213 15.297 ( 8.616 4.329 15.451) 18.213 16.191 ( 7.524 1.765 -4.560) 8.973 16.191 ( 7.524 1.765 4.560) 8.973 17.237 ( -4.953 5.145 -13.639) 15.395 17.237 ( -4.953 5.145 13.639) 15.395 17.749 ( 9.568 -4.601 -2.716) 10.959 17.749 ( 9.568 -4.601 2.716) 10.959 18.686 ( 5.515 -1.348 -19.249) 20.069 18.686 ( 5.515 -1.348 19.249) 20.069 18.847 ( -10.499 0.096 -13.312) 16.954 18.847 ( -10.499 0.096 13.312) 16.954 19.894 ( -0.831 0.103 -6.461) 6.515 19.894 ( -0.831 0.103 6.461) 6.515 20.775 ( 7.591 0.801 -5.959) 9.684 20.775 ( 7.591 0.801 5.959) 9.684 21.774 ( 8.105 0.080 -4.218) 9.137 21.774 ( 8.105 0.080 4.218) 9.137 22.988 ( 9.917 -8.928 -9.540) 16.403 22.988 ( 9.917 -8.928 9.540) 16.403 24.071 ( 2.736 1.502 -8.995) 9.521 24.071 ( 2.736 1.502 8.995) 9.521 24.369 ( 14.044 -0.580 -12.221) 18.626 24.369 ( 14.044 -0.580 12.221) 18.626 24.964 ( -2.695 11.477 -7.092) 13.758 24.964 ( -2.695 11.477 7.092) 13.758 25.249 ( 14.002 -3.362 -1.276) 14.457 25.249 ( 14.002 -3.362 1.276) 14.457 27.208 ( -28.810 21.766 -27.421) 45.340 27.208 ( -28.810 21.766 27.421) 45.340 28.346 ( -11.457 -14.905 -12.200) 22.411 28.346 ( -11.457 -14.905 12.200) 22.411 29.285 ( 15.919 -4.003 -2.886) 16.667 29.285 ( 15.919 -4.003 2.886) 16.667 29.600 ( -7.705 0.637 -3.633) 8.542 29.600 ( -7.705 0.637 3.633) 8.542 30.477 ( 3.151 1.419 -2.039) 4.012 30.477 ( 3.151 1.419 2.039) 4.012 31.111 ( 1.775 0.881 -7.681) 7.932 31.111 ( 1.775 0.881 7.681) 7.932 33.502 ( -4.837 0.640 -1.172) 5.018 33.502 ( -4.837 0.640 1.172) 5.018 34.339 ( 0.664 -0.015 -2.712) 2.792 34.339 ( 0.663 -0.015 2.712) 2.792 35.158 ( -15.691 -4.957 -5.337) 17.300 35.158 ( -15.691 -4.957 5.337) 17.300 35.647 ( -1.597 -0.946 -0.575) 1.944 35.647 ( -1.597 -0.946 0.575) 1.944 38.089 ( 42.943 -0.792 -8.990) 43.881 38.089 ( 42.943 -0.792 8.990) 43.881 40.892 ( -18.599 1.070 -3.146) 18.893 40.892 ( -18.599 1.070 3.146) 18.893 ======================= Grid point 176 (54/75) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 4.807 -2.162 -4.960) 7.237 1.341 ( 4.807 -2.162 4.960) 7.237 1.480 ( 1.197 -0.258 -3.343) 3.560 1.480 ( 1.197 -0.258 3.343) 3.560 1.575 ( 11.485 -3.285 -5.860) 13.306 1.575 ( 11.485 -3.285 5.860) 13.306 1.900 ( 7.991 -1.426 -3.024) 8.662 1.900 ( 7.991 -1.426 3.024) 8.662 2.087 ( 1.229 0.236 -0.932) 1.561 2.087 ( 1.229 0.236 0.932) 1.561 2.166 ( 1.299 0.544 -1.356) 1.955 2.166 ( 1.299 0.544 1.356) 1.955 2.243 ( -1.064 2.092 -1.695) 2.895 2.243 ( -1.064 2.092 1.695) 2.895 2.316 ( -2.607 1.650 -2.638) 4.059 2.316 ( -2.607 1.650 2.638) 4.059 2.371 ( -3.240 0.456 -2.291) 3.994 2.371 ( -3.240 0.456 2.291) 3.994 2.448 ( 4.692 -1.273 -2.925) 5.674 2.448 ( 4.692 -1.273 2.925) 5.674 2.535 ( -1.141 -2.509 -2.025) 3.420 2.535 ( -1.141 -2.509 2.025) 3.420 2.652 ( 3.992 -4.336 -3.571) 6.891 2.652 ( 3.992 -4.336 3.571) 6.891 3.861 ( 0.289 0.342 -10.448) 10.458 3.861 ( 0.289 0.342 10.448) 10.458 5.095 ( 10.632 0.452 -0.869) 10.677 5.095 ( 10.632 0.452 0.869) 10.677 5.252 ( -1.010 -0.117 -0.666) 1.215 5.252 ( -1.010 -0.117 0.666) 1.215 5.542 ( -2.404 0.530 -4.696) 5.302 5.542 ( -2.404 0.530 4.696) 5.302 5.751 ( 3.576 1.681 -0.963) 4.067 5.751 ( 3.576 1.681 0.963) 4.067 5.823 ( 3.668 0.864 -1.347) 4.002 5.823 ( 3.668 0.864 1.347) 4.002 6.576 ( -13.310 -0.320 -2.159) 13.487 6.576 ( -13.310 -0.320 2.159) 13.487 7.555 ( -2.039 0.602 -4.489) 4.967 7.555 ( -2.039 0.602 4.489) 4.967 11.340 ( -0.294 1.954 -1.225) 2.325 11.340 ( -0.294 1.954 1.225) 2.325 11.656 ( -0.175 -3.210 -2.426) 4.027 11.656 ( -0.175 -3.210 2.426) 4.027 12.248 ( -13.788 3.674 -11.648) 18.420 12.248 ( -13.788 3.674 11.648) 18.420 13.604 ( 21.195 0.083 -8.647) 22.892 13.604 ( 21.195 0.083 8.647) 22.892 14.372 ( 26.631 5.086 -6.771) 27.945 14.372 ( 26.631 5.086 6.771) 27.945 15.396 ( 6.323 1.605 -4.260) 7.791 15.396 ( 6.323 1.605 4.260) 7.791 16.317 ( 6.563 -0.199 -7.320) 9.833 16.317 ( 6.563 -0.199 7.320) 9.833 17.075 ( -7.823 7.444 -21.053) 23.662 17.075 ( -7.823 7.444 21.053) 23.662 17.957 ( 8.221 -4.665 -4.378) 10.416 17.957 ( 8.221 -4.665 4.378) 10.416 18.452 ( -15.702 -4.701 -17.869) 24.247 18.452 ( -15.702 -4.701 17.869) 24.247 19.035 ( 12.609 1.695 -9.112) 15.649 19.035 ( 12.609 1.695 9.112) 15.649 19.895 ( 1.508 1.647 -2.048) 3.030 19.895 ( 1.508 1.647 2.048) 3.030 20.907 ( 6.322 -1.188 -6.169) 8.912 20.907 ( 6.322 -1.188 6.169) 8.912 21.896 ( 4.383 -2.636 -2.177) 5.558 21.896 ( 4.383 -2.636 2.177) 5.558 23.206 ( 6.255 -9.358 -4.161) 12.001 23.206 ( 6.255 -9.358 4.161) 12.001 24.110 ( 2.894 2.380 -6.310) 7.339 24.110 ( 2.894 2.380 6.310) 7.339 24.432 ( -7.179 8.255 -12.122) 16.328 24.432 ( -7.179 8.255 12.122) 16.328 24.970 ( 15.602 4.486 -8.457) 18.305 24.970 ( 15.602 4.486 8.457) 18.305 25.557 ( 13.998 0.694 -5.423) 15.028 25.557 ( 13.998 0.694 5.423) 15.028 26.608 ( -21.587 10.150 -22.118) 32.530 26.608 ( -21.587 10.150 22.118) 32.530 28.253 ( -8.751 -8.917 -8.184) 14.936 28.253 ( -8.751 -8.917 8.184) 14.936 29.397 ( -5.246 0.947 -0.873) 5.402 29.397 ( -5.246 0.947 0.873) 5.402 29.711 ( 17.524 -3.523 -3.322) 18.181 29.711 ( 17.524 -3.523 3.322) 18.181 30.481 ( -1.836 -1.037 -1.243) 2.447 30.481 ( -1.836 -1.037 1.243) 2.447 31.124 ( 0.736 2.688 -5.231) 5.927 31.124 ( 0.736 2.688 5.231) 5.927 33.400 ( -4.917 1.148 -0.470) 5.071 33.400 ( -4.917 1.148 0.470) 5.071 34.382 ( 3.474 -0.494 -2.821) 4.502 34.382 ( 3.474 -0.494 2.821) 4.502 34.912 ( -13.280 -2.118 -4.487) 14.177 34.912 ( -13.280 -2.118 4.487) 14.177 35.630 ( -0.917 -0.610 -0.550) 1.231 35.630 ( -0.917 -0.610 0.550) 1.231 38.838 ( 37.245 -0.249 -5.669) 37.675 38.838 ( 37.245 -0.249 5.669) 37.675 40.503 ( -22.629 0.366 -2.391) 22.758 40.503 ( -22.629 0.366 2.391) 22.758 ======================= Grid point 178 (55/75) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 1.910 -0.758 -2.811) 3.482 1.414 ( 1.910 -0.758 2.811) 3.482 1.472 ( -0.784 0.135 -2.509) 2.632 1.472 ( -0.784 0.135 2.509) 2.632 1.826 ( 11.061 -2.684 -4.289) 12.163 1.826 ( 11.061 -2.684 4.289) 12.163 2.029 ( -3.156 0.764 -1.953) 3.789 2.029 ( -3.156 0.764 1.953) 3.789 2.055 ( 2.615 0.097 -1.424) 2.979 2.055 ( 2.615 0.097 1.424) 2.979 2.170 ( 0.353 0.146 -0.891) 0.970 2.170 ( 0.353 0.146 0.891) 0.970 2.199 ( -0.970 0.494 -0.275) 1.123 2.199 ( -0.970 0.494 0.275) 1.123 2.244 ( -3.487 1.019 -1.695) 4.009 2.244 ( -3.487 1.019 1.695) 4.009 2.306 ( -1.891 1.226 -0.710) 2.363 2.306 ( -1.891 1.226 0.710) 2.363 2.502 ( 1.364 -0.365 -1.535) 2.085 2.502 ( 1.364 -0.365 1.535) 2.085 2.531 ( -1.083 -1.541 -1.108) 2.185 2.531 ( -1.083 -1.541 1.108) 2.185 2.795 ( 4.429 -2.375 -1.934) 5.385 2.795 ( 4.429 -2.375 1.934) 5.385 3.866 ( 0.260 0.051 -3.851) 3.860 3.866 ( 0.260 0.051 3.851) 3.860 5.219 ( 1.037 0.503 -0.643) 1.319 5.219 ( 1.037 0.503 0.643) 1.319 5.289 ( 6.475 -0.750 -1.622) 6.717 5.289 ( 6.475 -0.750 1.622) 6.717 5.444 ( -6.143 0.554 -3.932) 7.315 5.444 ( -6.143 0.554 3.932) 7.315 5.768 ( 0.158 0.588 -0.440) 0.751 5.768 ( 0.158 0.588 0.440) 0.751 5.992 ( 12.085 1.090 -2.885) 12.472 5.992 ( 12.085 1.090 2.885) 12.472 6.320 ( -13.381 -0.667 -2.506) 13.630 6.320 ( -13.381 -0.667 2.506) 13.630 7.523 ( -0.868 0.280 -1.466) 1.726 7.523 ( -0.868 0.280 1.466) 1.726 11.329 ( 0.072 0.640 -0.540) 0.840 11.329 ( 0.072 0.640 0.540) 0.840 11.703 ( 2.128 -1.922 -0.773) 2.970 11.703 ( 2.128 -1.922 0.773) 2.970 12.022 ( -7.004 1.919 -4.415) 8.499 12.022 ( -7.004 1.919 4.415) 8.499 13.915 ( 9.885 -0.716 -4.955) 11.081 13.915 ( 9.885 -0.716 4.955) 11.081 14.641 ( 6.341 3.710 -7.402) 10.429 14.641 ( 6.341 3.710 7.402) 10.429 15.545 ( 7.411 -1.182 -4.789) 8.902 15.545 ( 7.411 -1.182 4.789) 8.902 16.439 ( 5.478 -1.480 -8.389) 10.127 16.439 ( 5.478 -1.480 8.389) 10.127 16.842 ( -9.166 5.234 -15.712) 18.928 16.842 ( -9.166 5.234 15.712) 18.928 18.119 ( 6.118 -2.875 -7.247) 9.910 18.119 ( 6.118 -2.875 7.247) 9.910 18.254 ( -8.603 -1.273 -12.392) 15.140 18.254 ( -8.603 -1.273 12.392) 15.140 19.184 ( 4.249 0.576 -3.183) 5.341 19.184 ( 4.249 0.576 3.183) 5.341 19.910 ( 1.018 1.146 -0.176) 1.543 19.910 ( 1.018 1.146 0.176) 1.543 21.009 ( 2.821 -1.173 -2.743) 4.106 21.009 ( 2.821 -1.173 2.743) 4.106 21.970 ( 1.688 -1.119 -1.220) 2.365 21.970 ( 1.688 -1.119 1.220) 2.365 23.373 ( 3.643 -6.660 -1.413) 7.722 23.373 ( 3.643 -6.660 1.413) 7.722 24.135 ( 2.261 3.690 -9.754) 10.671 24.135 ( 2.261 3.690 9.754) 10.671 24.190 ( -7.872 4.817 -10.677) 14.113 24.190 ( -7.872 4.817 10.677) 14.113 25.308 ( 18.349 -0.976 -11.438) 21.644 25.308 ( 18.349 -0.976 11.438) 21.644 25.633 ( -5.956 3.334 -11.265) 13.172 25.633 ( -5.956 3.334 11.265) 13.172 26.294 ( -5.842 2.050 -8.503) 10.519 26.294 ( -5.842 2.050 8.503) 10.519 28.177 ( -3.918 -3.096 -2.916) 5.783 28.177 ( -3.918 -3.096 2.916) 5.783 29.312 ( -2.372 0.439 -0.385) 2.443 29.312 ( -2.372 0.439 0.385) 2.443 30.019 ( 10.548 -1.009 -1.246) 10.669 30.019 ( 10.548 -1.009 1.246) 10.669 30.441 ( -3.042 -1.673 -0.364) 3.491 30.441 ( -3.042 -1.673 0.364) 3.491 31.101 ( -0.546 1.791 -1.840) 2.625 31.101 ( -0.546 1.791 1.840) 2.625 33.322 ( -2.176 0.606 -0.088) 2.260 33.322 ( -2.176 0.606 0.088) 2.260 34.464 ( 4.042 -0.327 -2.046) 4.542 34.464 ( 4.042 -0.327 2.046) 4.542 34.719 ( -7.453 -0.434 -2.620) 7.912 34.719 ( -7.453 -0.434 2.620) 7.912 35.622 ( -0.318 -0.220 -0.222) 0.446 35.622 ( -0.318 -0.220 0.222) 0.446 39.484 ( 32.079 -0.106 -3.281) 32.246 39.484 ( 32.079 -0.106 3.281) 32.246 40.039 ( -27.148 0.110 -2.234) 27.240 40.039 ( -27.148 0.110 2.234) 27.240 ======================= Grid point 190 (56/75) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 10.824 -0.000 -1.799) 10.973 1.154 ( 10.824 -0.000 1.799) 10.973 1.260 ( 12.210 -0.000 -3.344) 12.660 1.260 ( 12.210 -0.000 3.344) 12.660 1.508 ( 0.553 -0.000 -2.797) 2.851 1.508 ( 0.553 -0.000 2.797) 2.851 1.725 ( 8.655 -0.000 -3.278) 9.255 1.725 ( 8.655 -0.000 3.278) 9.255 1.977 ( 12.475 -0.000 -11.604) 17.037 1.977 ( 12.475 -0.000 11.604) 17.037 2.064 ( 2.663 -0.000 -3.419) 4.334 2.064 ( 2.663 -0.000 3.419) 4.334 2.208 ( 4.957 -0.000 -3.039) 5.815 2.208 ( 4.957 -0.000 3.039) 5.815 2.317 ( 2.924 -0.000 -4.390) 5.275 2.317 ( 2.924 -0.000 4.390) 5.275 2.389 ( -1.004 0.000 -0.553) 1.146 2.389 ( -1.004 0.000 0.553) 1.146 2.481 ( -5.422 0.000 -0.319) 5.431 2.481 ( -5.422 0.000 0.319) 5.431 2.554 ( -4.570 0.000 -0.370) 4.585 2.554 ( -4.570 0.000 0.370) 4.585 2.625 ( -2.722 0.000 -0.676) 2.804 2.625 ( -2.722 0.000 0.676) 2.804 3.884 ( -2.257 0.000 -14.119) 14.298 3.884 ( -2.257 0.000 14.119) 14.298 4.893 ( 11.540 -0.000 -2.283) 11.764 4.893 ( 11.540 -0.000 2.283) 11.764 5.277 ( -1.699 0.000 -0.409) 1.748 5.277 ( -1.699 0.000 0.409) 1.748 5.511 ( 4.893 -0.000 -0.118) 4.894 5.511 ( 4.893 -0.000 0.118) 4.894 5.754 ( -1.201 0.000 -1.649) 2.040 5.754 ( -1.201 0.000 1.649) 2.040 5.825 ( -0.838 0.000 -1.163) 1.434 5.825 ( -0.838 0.000 1.163) 1.434 6.790 ( -9.489 0.000 -0.448) 9.499 6.790 ( -9.489 0.000 0.448) 9.499 7.603 ( -1.847 0.000 -7.492) 7.716 7.603 ( -1.847 0.000 7.492) 7.716 11.402 ( -2.066 0.000 -3.468) 4.037 11.402 ( -2.066 0.000 3.468) 4.037 11.643 ( -4.267 0.000 -0.768) 4.335 11.643 ( -4.267 0.000 0.768) 4.335 12.595 ( -13.268 0.000 -16.498) 21.171 12.595 ( -13.268 0.000 16.498) 21.171 13.214 ( 18.902 -0.000 -8.306) 20.646 13.214 ( 18.902 -0.000 8.306) 20.646 13.897 ( 26.297 -0.000 -5.757) 26.920 13.897 ( 26.297 -0.000 5.757) 26.920 15.335 ( 7.810 -0.000 -17.987) 19.610 15.335 ( 7.810 -0.000 17.987) 19.610 16.204 ( 6.068 -0.000 -3.875) 7.200 16.204 ( 6.068 -0.000 3.875) 7.200 17.279 ( -4.586 0.000 -13.999) 14.731 17.279 ( -4.586 0.000 13.999) 14.731 17.717 ( 10.425 -0.000 -3.460) 10.984 17.717 ( 10.425 -0.000 3.460) 10.984 18.670 ( -0.359 0.000 -19.969) 19.973 18.670 ( -0.359 0.000 19.969) 19.973 18.852 ( -6.441 0.000 -9.249) 11.271 18.852 ( -6.441 0.000 9.249) 11.271 19.900 ( 0.808 -0.000 -10.031) 10.064 19.900 ( 0.808 -0.000 10.031) 10.064 20.779 ( 6.236 -0.000 -0.790) 6.285 20.779 ( 6.236 -0.000 0.790) 6.285 21.776 ( 5.903 -0.000 -5.561) 8.109 21.776 ( 5.903 -0.000 5.561) 8.109 22.906 ( 11.735 -0.000 -5.682) 13.038 22.906 ( 11.735 -0.000 5.682) 13.038 24.086 ( 2.835 -0.000 -5.479) 6.168 24.086 ( 2.835 -0.000 5.479) 6.168 24.361 ( 15.347 -0.000 -12.793) 19.979 24.361 ( 15.347 -0.000 12.793) 19.979 25.073 ( -6.646 0.000 -6.186) 9.079 25.073 ( -6.646 0.000 6.186) 9.079 25.209 ( 19.258 -0.000 -2.640) 19.439 25.209 ( 19.258 -0.000 2.640) 19.439 27.439 ( -40.771 0.000 -30.436) 50.879 27.439 ( -40.771 0.000 30.436) 50.879 28.178 ( -3.832 0.000 -6.622) 7.650 28.178 ( -3.832 0.000 6.622) 7.650 29.248 ( 16.914 -0.000 -0.726) 16.929 29.248 ( 16.914 -0.000 0.726) 16.929 29.606 ( -8.306 0.000 -1.238) 8.397 29.606 ( -8.306 0.000 1.238) 8.397 30.492 ( 2.162 -0.000 -2.057) 2.985 30.492 ( 2.162 -0.000 2.057) 2.985 31.117 ( 2.598 -0.000 -7.720) 8.146 31.117 ( 2.598 -0.000 7.720) 8.146 33.508 ( -4.595 0.000 -0.956) 4.693 33.508 ( -4.595 0.000 0.956) 4.693 34.341 ( 0.282 -0.000 -2.875) 2.889 34.341 ( 0.282 -0.000 2.875) 2.889 35.113 ( -13.395 0.000 -1.700) 13.503 35.113 ( -13.395 0.000 1.700) 13.503 35.639 ( -1.254 0.000 -0.357) 1.304 35.639 ( -1.254 0.000 0.357) 1.304 38.082 ( 43.457 -0.000 -9.738) 44.535 38.082 ( 43.457 -0.000 9.738) 44.535 40.901 ( -19.212 0.000 -3.089) 19.459 40.901 ( -19.212 0.000 3.089) 19.459 ======================= Grid point 192 (57/75) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 6.041 -0.954 -5.486) 8.216 1.315 ( 6.041 -0.954 5.486) 8.216 1.477 ( 3.419 -0.049 -1.688) 3.813 1.477 ( 3.419 -0.049 1.688) 3.813 1.545 ( 10.368 -0.778 -5.520) 11.772 1.545 ( 10.368 -0.778 5.520) 11.772 1.882 ( 8.216 -0.673 -2.806) 8.708 1.882 ( 8.216 -0.673 2.806) 8.708 2.091 ( 1.575 0.179 -0.826) 1.787 2.091 ( 1.575 0.179 0.826) 1.787 2.170 ( 3.153 0.021 -1.175) 3.365 2.170 ( 3.153 0.021 1.175) 3.365 2.257 ( -0.664 0.117 -2.944) 3.021 2.257 ( -0.664 0.117 2.944) 3.021 2.347 ( -1.402 1.403 -2.741) 3.384 2.347 ( -1.402 1.403 2.741) 3.384 2.374 ( -3.738 0.301 -1.880) 4.195 2.374 ( -3.738 0.301 1.880) 4.195 2.442 ( 4.354 0.011 -2.508) 5.025 2.442 ( 4.354 0.011 2.508) 5.025 2.498 ( -0.544 -1.557 -1.272) 2.083 2.498 ( -0.544 -1.557 1.272) 2.083 2.600 ( 2.411 -1.936 -3.379) 4.580 2.600 ( 2.411 -1.936 3.379) 4.580 3.861 ( -0.477 -0.119 -10.815) 10.827 3.861 ( -0.477 -0.119 10.815) 10.827 5.101 ( 10.567 0.217 -0.348) 10.575 5.101 ( 10.567 0.217 0.348) 10.575 5.250 ( -1.254 -0.096 -0.368) 1.311 5.250 ( -1.254 -0.096 0.368) 1.311 5.548 ( -2.533 0.231 -4.719) 5.361 5.548 ( -2.533 0.231 4.719) 5.361 5.771 ( 3.300 0.643 -0.501) 3.399 5.771 ( 3.300 0.643 0.501) 3.399 5.832 ( 3.680 0.305 -1.874) 4.141 5.832 ( 3.680 0.305 1.874) 4.141 6.573 ( -13.500 -0.098 -0.766) 13.522 6.573 ( -13.500 -0.098 0.766) 13.522 7.565 ( -1.890 0.442 -4.387) 4.797 7.565 ( -1.890 0.442 4.387) 4.797 11.361 ( -1.712 0.701 -2.528) 3.132 11.361 ( -1.712 0.701 2.528) 3.132 11.618 ( 0.721 -1.368 -1.151) 1.928 11.618 ( 0.721 -1.368 1.151) 1.928 12.290 ( -15.350 1.409 -15.159) 21.619 12.290 ( -15.350 1.409 15.159) 21.619 13.610 ( 20.475 0.381 -10.749) 23.128 13.610 ( 20.475 0.381 10.749) 23.128 14.430 ( 27.167 1.959 -6.394) 27.978 14.430 ( 27.167 1.959 6.394) 27.978 15.416 ( 2.922 0.768 -5.678) 6.432 15.416 ( 2.922 0.768 5.678) 6.432 16.307 ( 5.133 -0.559 -7.364) 8.994 16.307 ( 5.133 -0.559 7.364) 8.994 17.159 ( -8.584 2.681 -23.281) 24.957 17.159 ( -8.584 2.681 23.281) 24.957 17.915 ( 9.746 -0.914 -5.495) 11.225 17.915 ( 9.746 -0.914 5.495) 11.225 18.391 ( -14.475 -2.358 -17.661) 22.956 18.391 ( -14.475 -2.358 17.661) 22.956 19.051 ( 11.043 0.383 -7.037) 13.100 19.051 ( 11.043 0.383 7.037) 13.100 19.953 ( 5.712 3.494 -3.847) 7.722 19.953 ( 5.712 3.494 3.847) 7.722 20.864 ( 2.198 -2.674 -4.676) 5.818 20.864 ( 2.198 -2.674 4.676) 5.818 21.886 ( 7.366 0.420 -0.590) 7.402 21.886 ( 7.366 0.420 0.590) 7.402 23.071 ( 4.156 -5.543 -2.890) 7.507 23.071 ( 4.156 -5.543 2.890) 7.507 24.127 ( 1.197 0.415 -3.044) 3.297 24.127 ( 1.197 0.415 3.044) 3.297 24.517 ( -2.037 2.318 -8.346) 8.898 24.517 ( -2.037 2.318 8.346) 8.898 25.038 ( 9.568 2.732 -7.375) 12.385 25.038 ( 9.568 2.732 7.375) 12.385 25.583 ( 18.270 1.658 -2.323) 18.491 25.583 ( 18.270 1.658 2.323) 18.491 26.736 ( -30.971 4.942 -25.588) 40.476 26.736 ( -30.971 4.942 25.588) 40.476 28.136 ( -3.332 -4.603 -4.366) 7.166 28.136 ( -3.332 -4.603 4.366) 7.166 29.407 ( -5.040 0.330 -0.727) 5.103 29.407 ( -5.040 0.330 0.727) 5.103 29.661 ( 17.851 -2.028 -0.761) 17.982 29.661 ( 17.851 -2.028 0.761) 17.982 30.482 ( -1.906 0.417 -0.901) 2.149 30.482 ( -1.906 0.417 0.901) 2.149 31.150 ( 0.424 0.724 -6.452) 6.507 31.150 ( 0.424 0.724 6.452) 6.507 33.413 ( -5.048 0.457 -0.328) 5.079 33.413 ( -5.048 0.457 0.328) 5.079 34.378 ( 3.558 -0.072 -3.320) 4.867 34.378 ( 3.558 -0.072 3.320) 4.867 34.884 ( -11.672 -1.073 -2.731) 12.036 34.884 ( -11.672 -1.073 2.731) 12.036 35.623 ( -0.632 -0.259 -0.466) 0.827 35.623 ( -0.632 -0.259 0.466) 0.827 38.834 ( 37.432 -0.138 -6.476) 37.989 38.834 ( 37.432 -0.138 6.476) 37.989 40.507 ( -22.976 0.144 -2.354) 23.097 40.507 ( -22.976 0.144 2.354) 23.097 ======================= Grid point 194 (58/75) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 3.118 -0.421 -3.851) 4.973 1.404 ( 3.118 -0.421 3.851) 4.973 1.473 ( -0.964 0.052 -2.905) 3.062 1.473 ( -0.964 0.052 2.905) 3.062 1.796 ( 12.323 -1.177 -6.294) 13.887 1.796 ( 12.323 -1.177 6.294) 13.887 2.025 ( 4.471 -0.612 -2.064) 4.962 2.025 ( 4.471 -0.612 2.064) 4.962 2.068 ( -4.099 1.074 -0.111) 4.239 2.068 ( -4.099 1.074 0.111) 4.239 2.162 ( -0.014 -0.803 -0.970) 1.260 2.162 ( -0.014 -0.803 0.970) 1.260 2.213 ( -2.523 1.191 -0.268) 2.803 2.213 ( -2.523 1.191 0.268) 2.803 2.261 ( -4.293 0.940 -1.490) 4.641 2.261 ( -4.293 0.940 1.490) 4.641 2.336 ( -1.328 2.303 -1.642) 3.125 2.336 ( -1.328 2.303 1.642) 3.125 2.472 ( -0.251 -2.667 -2.133) 3.425 2.472 ( -0.251 -2.667 2.133) 3.425 2.523 ( 2.293 0.031 -1.599) 2.795 2.523 ( 2.293 0.031 1.599) 2.795 2.757 ( 7.442 -2.145 -2.335) 8.089 2.757 ( 7.442 -2.145 2.335) 8.089 3.858 ( -0.420 -0.790 -4.323) 4.414 3.858 ( -0.420 -0.790 4.323) 4.414 5.226 ( -0.263 0.237 -0.359) 0.504 5.226 ( -0.263 0.237 0.359) 0.504 5.281 ( 7.542 -0.310 -2.145) 7.847 5.281 ( 7.542 -0.310 2.145) 7.847 5.452 ( -6.236 0.407 -4.019) 7.431 5.452 ( -6.236 0.407 4.019) 7.431 5.777 ( -0.634 0.451 -0.738) 1.073 5.777 ( -0.634 0.451 0.738) 1.073 6.005 ( 11.217 0.490 -3.530) 11.769 6.005 ( 11.217 0.490 3.530) 11.769 6.312 ( -13.201 -0.350 -1.282) 13.268 6.312 ( -13.201 -0.350 1.282) 13.268 7.533 ( -0.812 0.816 -1.472) 1.869 7.533 ( -0.812 0.816 1.472) 1.869 11.330 ( -1.453 -0.283 -2.064) 2.540 11.330 ( -1.453 -0.283 2.064) 2.540 11.681 ( 4.504 -0.935 -1.000) 4.707 11.681 ( 4.504 -0.935 1.000) 4.707 12.044 ( -9.503 0.808 -8.573) 12.824 12.044 ( -9.503 0.808 8.573) 12.824 13.912 ( 10.742 0.240 -7.887) 13.329 13.912 ( 10.742 0.240 7.887) 13.329 14.702 ( 2.871 3.495 -10.558) 11.487 14.702 ( 2.871 3.495 10.558) 11.487 15.518 ( 7.139 -1.855 -4.117) 8.447 15.518 ( 7.139 -1.855 4.117) 8.447 16.412 ( 5.262 -1.721 -12.832) 13.976 16.412 ( 5.262 -1.721 12.832) 13.976 16.904 ( -14.980 2.408 -20.615) 25.597 16.904 ( -14.980 2.408 20.615) 25.597 18.087 ( 8.295 -1.077 -8.004) 11.577 18.087 ( 8.295 -1.077 8.004) 11.577 18.239 ( -4.181 -0.663 -10.921) 11.713 18.239 ( -4.181 -0.663 10.921) 11.713 19.173 ( 1.905 -1.318 -1.978) 3.046 19.173 ( 1.905 -1.318 1.978) 3.046 20.014 ( 5.451 9.694 -4.194) 11.887 20.014 ( 5.451 9.694 4.194) 11.887 20.921 ( -0.687 -8.198 -6.789) 10.666 20.921 ( -0.687 -8.198 6.789) 10.666 22.022 ( 8.551 5.897 -6.435) 12.218 22.022 ( 8.551 5.897 6.435) 12.218 23.193 ( 2.006 -12.804 -2.105) 13.130 23.193 ( 2.006 -12.804 2.105) 13.130 24.094 ( -6.471 -2.140 -10.589) 12.593 24.094 ( -6.471 -2.140 10.589) 12.593 24.358 ( -5.057 8.188 -7.981) 12.503 24.358 ( -5.057 8.188 7.981) 12.503 25.307 ( 16.354 0.459 -11.698) 20.112 25.307 ( 16.354 0.459 11.698) 20.112 25.740 ( -1.109 8.912 -10.934) 14.149 25.740 ( -1.109 8.912 10.934) 14.149 26.274 ( -15.003 -3.987 -12.467) 19.910 26.274 ( -15.003 -3.987 12.467) 19.910 28.137 ( 1.361 -1.721 -0.697) 2.302 28.137 ( 1.361 -1.721 0.697) 2.302 29.316 ( -3.137 0.141 -0.774) 3.234 29.316 ( -3.137 0.141 0.774) 3.234 29.984 ( 10.819 -2.627 -1.320) 11.211 29.984 ( 10.819 -2.627 1.320) 11.211 30.450 ( 0.933 1.887 -0.242) 2.119 30.450 ( 0.933 1.887 0.242) 2.119 31.115 ( -3.441 0.130 -4.155) 5.396 31.115 ( -3.441 0.130 4.155) 5.396 33.329 ( -3.065 0.328 -0.207) 3.090 33.329 ( -3.065 0.328 0.207) 3.090 34.463 ( 4.818 0.183 -2.652) 5.502 34.463 ( 4.818 0.183 2.652) 5.502 34.708 ( -7.051 -0.765 -2.035) 7.379 34.708 ( -7.051 -0.765 2.035) 7.379 35.619 ( 0.015 -0.152 -0.185) 0.240 35.619 ( 0.015 -0.152 0.185) 0.240 39.482 ( 32.137 -0.103 -3.797) 32.360 39.482 ( 32.137 -0.103 3.797) 32.360 40.040 ( -27.257 0.044 -1.867) 27.321 40.040 ( -27.257 0.044 1.867) 27.321 ======================= Grid point 196 (59/75) ======================= q-point: (-0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -0.784 0.998 -1.665) 2.093 1.428 ( -0.784 0.998 1.665) 2.093 1.468 ( 0.772 -0.369 -1.862) 2.049 1.468 ( 0.772 -0.369 1.862) 2.049 1.878 ( -8.953 3.599 -1.906) 9.836 1.878 ( -8.953 3.599 1.906) 9.836 2.004 ( 5.912 -1.831 -2.979) 6.869 2.004 ( 5.912 -1.831 2.979) 6.869 2.059 ( -3.651 0.194 -1.131) 3.827 2.059 ( -3.651 0.194 1.131) 3.827 2.162 ( -1.397 -0.795 -0.409) 1.659 2.162 ( -1.397 -0.795 0.409) 1.659 2.188 ( -1.288 -0.734 -1.033) 1.807 2.188 ( -1.288 -0.734 1.033) 1.807 2.238 ( 3.667 0.143 -2.759) 4.591 2.238 ( 3.667 0.143 2.759) 4.591 2.303 ( 0.761 0.883 -1.436) 1.849 2.303 ( 0.761 0.883 1.436) 1.849 2.492 ( 0.249 -1.171 -2.454) 2.730 2.492 ( 0.249 -1.171 2.454) 2.730 2.559 ( 1.938 1.537 -1.475) 2.880 2.559 ( 1.938 1.537 1.475) 2.880 2.826 ( -0.885 1.358 -1.369) 2.121 2.826 ( -0.885 1.358 1.369) 2.121 3.854 ( -0.981 -1.371 -3.309) 3.714 3.854 ( -0.981 -1.371 3.309) 3.714 5.211 ( -1.824 -0.464 -0.684) 2.002 5.211 ( -1.824 -0.464 0.684) 2.002 5.303 ( -6.095 0.870 -1.847) 6.428 5.303 ( -6.095 0.870 1.847) 6.428 5.436 ( 6.126 -0.442 -4.088) 7.378 5.436 ( 6.126 -0.442 4.088) 7.378 5.760 ( -1.163 -0.390 -0.140) 1.235 5.760 ( -1.163 -0.390 0.140) 1.235 5.972 ( -12.737 -1.281 -1.889) 12.940 5.972 ( -12.737 -1.281 1.889) 12.940 6.331 ( 13.336 0.665 -3.367) 13.770 6.331 ( 13.336 0.665 3.367) 13.770 7.527 ( 0.866 0.740 -1.421) 1.822 7.527 ( 0.866 0.740 1.421) 1.822 11.310 ( -1.507 -1.538 -2.215) 3.089 11.310 ( -1.507 -1.538 2.215) 3.089 11.740 ( 0.581 2.521 -1.849) 3.180 11.740 ( 0.581 2.521 1.849) 3.180 11.983 ( 3.998 -2.833 -0.457) 4.921 11.983 ( 3.998 -2.833 0.457) 4.921 13.937 ( -8.319 1.909 -3.316) 9.157 13.937 ( -8.319 1.909 3.316) 9.157 14.593 ( -11.480 -2.189 -5.487) 12.911 14.593 ( -11.480 -2.189 5.487) 12.911 15.551 ( -6.810 -0.401 -4.181) 8.001 15.551 ( -6.810 -0.401 4.181) 8.001 16.456 ( -5.361 0.649 -2.577) 5.983 16.456 ( -5.361 0.649 2.577) 5.983 16.748 ( 2.796 -5.962 -10.139) 12.089 16.748 ( 2.796 -5.962 10.139) 12.089 18.170 ( -2.357 3.166 -5.755) 6.978 18.170 ( -2.357 3.166 5.755) 6.978 18.279 ( 11.766 1.621 -12.565) 17.290 18.279 ( 11.766 1.621 12.565) 17.290 19.151 ( -6.053 -3.020 -4.476) 8.111 19.151 ( -6.053 -3.020 4.476) 8.111 19.996 ( 1.838 10.763 -5.054) 12.032 19.996 ( 1.838 10.763 5.054) 12.032 20.945 ( -4.595 -8.409 -5.820) 11.211 20.945 ( -4.595 -8.409 5.820) 11.211 22.072 ( 3.628 10.845 -7.683) 13.777 22.072 ( 3.628 10.845 7.683) 13.777 23.333 ( 0.126 -11.810 -5.208) 12.908 23.333 ( 0.126 -11.810 5.208) 12.908 23.963 ( -8.094 -8.349 -14.199) 18.353 23.963 ( -8.094 -8.349 14.199) 18.353 24.277 ( 2.278 7.098 -19.058) 20.464 24.277 ( 2.278 7.098 19.058) 20.464 25.344 ( -18.572 3.134 -9.868) 21.263 25.344 ( -18.572 3.134 9.868) 21.263 25.642 ( 6.600 4.305 -10.064) 12.782 25.642 ( 6.600 4.305 10.064) 12.782 26.209 ( 0.046 -8.183 -5.014) 9.597 26.209 ( 0.046 -8.183 5.014) 9.597 28.229 ( 8.864 3.128 -5.378) 10.829 28.229 ( 8.864 3.128 5.378) 10.829 29.302 ( 1.540 -0.647 -0.653) 1.793 29.302 ( 1.540 -0.647 0.653) 1.793 30.009 ( -9.215 -1.865 -3.481) 10.026 30.009 ( -9.215 -1.865 3.481) 10.026 30.511 ( 6.890 6.476 -1.007) 9.509 30.511 ( 6.890 6.476 1.007) 9.509 31.055 ( -3.347 -3.840 -0.990) 5.189 31.055 ( -3.347 -3.840 0.990) 5.189 33.312 ( 1.231 -0.629 -0.427) 1.447 33.312 ( 1.231 -0.629 0.427) 1.447 34.473 ( -3.583 0.839 -1.446) 3.954 34.473 ( -3.583 0.839 1.446) 3.954 34.720 ( 8.258 -0.298 -2.728) 8.702 34.720 ( 8.258 -0.298 2.728) 8.702 35.625 ( 0.673 0.184 -0.273) 0.749 35.625 ( 0.673 0.184 0.273) 0.749 39.485 ( -32.076 0.047 -2.528) 32.176 39.485 ( -32.076 0.047 2.528) 32.176 40.037 ( 27.063 -0.141 -2.483) 27.177 40.037 ( 27.063 -0.141 2.483) 27.177 ======================= Grid point 198 (60/75) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -3.210 2.249 -3.926) 5.548 1.378 ( -3.210 2.249 3.926) 5.548 1.484 ( 0.372 0.176 -3.477) 3.502 1.484 ( 0.372 0.176 3.477) 3.502 1.651 ( -10.417 6.051 -4.259) 12.777 1.651 ( -10.417 6.051 4.259) 12.777 1.923 ( -7.822 1.437 -3.039) 8.514 1.923 ( -7.822 1.437 3.039) 8.514 2.082 ( -0.214 -0.478 -0.580) 0.781 2.082 ( -0.214 -0.478 0.580) 0.781 2.149 ( -1.029 -1.821 -0.611) 2.179 2.149 ( -1.029 -1.821 0.611) 2.179 2.197 ( 0.552 -2.910 -1.399) 3.276 2.197 ( 0.552 -2.910 1.399) 3.276 2.302 ( 2.970 -0.371 -3.443) 4.562 2.302 ( 2.970 -0.371 3.443) 4.562 2.361 ( 3.755 -0.530 -2.455) 4.518 2.361 ( 3.755 -0.530 2.455) 4.518 2.478 ( -2.715 2.001 -2.051) 3.947 2.478 ( -2.715 2.001 2.051) 3.947 2.569 ( 0.841 1.707 -1.427) 2.379 2.569 ( 0.841 1.707 1.427) 2.379 2.727 ( -4.716 4.763 -3.663) 7.638 2.727 ( -4.716 4.763 3.663) 7.638 3.845 ( -1.177 -1.667 -9.851) 10.060 3.845 ( -1.177 -1.667 9.851) 10.060 5.089 ( -10.722 -0.352 -1.118) 10.786 5.089 ( -10.722 -0.352 1.118) 10.786 5.253 ( 0.473 -0.009 -1.047) 1.149 5.253 ( 0.473 -0.009 1.047) 1.149 5.533 ( 2.118 -0.529 -4.788) 5.262 5.533 ( 2.118 -0.529 4.788) 5.262 5.721 ( -4.018 -2.007 -1.225) 4.655 5.721 ( -4.018 -2.007 1.225) 4.655 5.807 ( -3.611 -1.112 -0.639) 3.832 5.807 ( -3.611 -1.112 0.639) 3.832 6.583 ( 13.063 0.444 -3.151) 13.445 6.583 ( 13.063 0.444 3.151) 13.445 7.552 ( 2.098 0.271 -4.527) 4.997 7.552 ( 2.098 0.271 4.527) 4.997 11.301 ( -1.066 -2.702 -2.508) 3.837 11.301 ( -1.066 -2.702 2.508) 3.837 11.711 ( 0.662 3.533 -2.827) 4.573 11.711 ( 0.662 3.533 2.827) 4.573 12.180 ( 11.996 -4.616 -6.208) 14.274 12.180 ( 11.996 -4.616 6.208) 14.274 13.617 ( -21.958 1.946 -6.833) 23.078 13.617 ( -21.958 1.946 6.833) 23.078 14.277 ( -27.244 -6.519 -7.455) 28.988 14.277 ( -27.244 -6.519 7.455) 28.988 15.370 ( -10.088 -1.586 -1.842) 10.376 15.370 ( -10.088 -1.586 1.842) 10.376 16.306 ( -9.227 -1.618 -7.319) 11.888 16.306 ( -9.227 -1.618 7.319) 11.888 16.948 ( 8.503 -7.597 -19.994) 23.017 16.948 ( 8.503 -7.597 19.994) 23.017 18.054 ( -5.721 6.789 -2.839) 9.321 18.054 ( -5.721 6.789 2.839) 9.321 18.525 ( 16.835 4.218 -17.170) 24.414 18.525 ( 16.835 4.218 17.170) 24.414 18.995 ( -13.225 -3.155 -9.629) 16.661 18.995 ( -13.225 -3.155 9.629) 16.661 19.939 ( 0.522 7.212 -5.228) 8.923 19.939 ( 0.522 7.212 5.228) 8.923 20.876 ( -8.283 -5.160 -7.077) 12.054 20.876 ( -8.283 -5.160 7.077) 12.054 21.987 ( -4.164 8.787 -7.669) 12.384 21.987 ( -4.164 8.787 7.669) 12.384 23.305 ( -6.581 1.457 -8.535) 10.876 23.305 ( -6.581 1.457 8.535) 10.876 23.993 ( -0.944 -13.203 -5.936) 14.507 23.993 ( -0.944 -13.203 5.936) 14.507 24.331 ( 6.294 -1.448 -21.956) 22.886 24.331 ( 6.294 -1.448 21.956) 22.886 24.931 ( -20.654 -0.265 -8.651) 22.394 24.931 ( -20.654 -0.265 8.651) 22.394 25.573 ( -11.072 2.601 -6.909) 13.307 25.573 ( -11.072 2.601 6.909) 13.307 26.438 ( 15.581 -10.612 -18.505) 26.416 26.438 ( 15.581 -10.612 18.505) 26.416 28.392 ( 12.654 7.999 -11.254) 18.729 28.392 ( 12.654 7.999 11.254) 18.729 29.378 ( 5.071 -1.383 -0.709) 5.304 29.378 ( 5.071 -1.383 0.709) 5.304 29.752 ( -16.500 1.280 -5.432) 17.419 29.752 ( -16.500 1.280 5.432) 17.419 30.532 ( 0.684 5.604 -1.003) 5.733 30.532 ( 0.684 5.604 1.003) 5.733 31.061 ( -0.748 -5.278 -4.026) 6.680 31.061 ( -0.748 -5.278 4.026) 6.680 33.380 ( 4.818 -1.288 -0.700) 5.036 33.380 ( 4.818 -1.288 0.700) 5.036 34.394 ( -3.350 0.910 -2.195) 4.107 34.394 ( -3.350 0.910 2.195) 4.107 34.943 ( 15.293 1.628 -4.897) 16.141 34.943 ( 15.293 1.628 4.897) 16.141 35.640 ( 1.295 0.624 -0.671) 1.586 35.640 ( 1.295 0.624 0.671) 1.586 38.841 ( -37.062 0.134 -4.387) 37.321 38.841 ( -37.062 0.134 4.387) 37.321 40.497 ( 22.154 -0.422 -2.309) 22.278 40.497 ( 22.154 -0.422 2.309) 22.278 ======================= Grid point 200 (61/75) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -7.298 5.167 -6.381) 10.985 1.255 ( -7.298 5.167 6.381) 10.985 1.383 ( -9.001 7.966 -6.648) 13.736 1.383 ( -9.001 7.966 6.648) 13.736 1.504 ( -1.045 0.209 -3.461) 3.622 1.504 ( -1.045 0.209 3.461) 3.622 1.773 ( -6.618 1.465 -3.189) 7.491 1.773 ( -6.618 1.465 3.189) 7.491 2.043 ( -3.758 1.425 -2.876) 4.942 2.043 ( -3.758 1.425 2.876) 4.942 2.112 ( -4.116 2.364 -3.950) 6.175 2.112 ( -4.116 2.364 3.950) 6.175 2.221 ( -0.895 -2.605 -0.646) 2.830 2.221 ( -0.895 -2.605 0.646) 2.830 2.299 ( -7.720 3.674 -4.949) 9.879 2.299 ( -7.720 3.674 4.949) 9.879 2.349 ( 0.428 -0.953 -1.265) 1.641 2.349 ( 0.428 -0.953 1.265) 1.641 2.454 ( 4.389 -1.350 -2.746) 5.351 2.454 ( 4.389 -1.350 2.746) 5.351 2.595 ( 2.855 0.763 -1.628) 3.374 2.595 ( 2.855 0.763 1.628) 3.374 2.664 ( 0.438 2.428 -0.290) 2.484 2.664 ( 0.438 2.428 0.290) 2.484 3.844 ( -0.344 -2.362 -13.967) 14.170 3.844 ( -0.344 -2.362 13.967) 14.170 4.875 ( -11.945 -0.766 -1.169) 12.027 4.875 ( -11.945 -0.766 1.169) 12.027 5.277 ( 1.733 -0.349 -1.836) 2.549 5.277 ( 1.733 -0.349 1.836) 2.549 5.490 ( -4.929 -1.214 -0.386) 5.091 5.490 ( -4.929 -1.214 0.386) 5.091 5.730 ( 1.719 -1.235 -2.760) 3.478 5.730 ( 1.719 -1.235 2.760) 3.478 5.800 ( 0.758 -1.403 -1.327) 2.075 5.800 ( 0.758 -1.403 1.327) 2.075 6.791 ( 9.336 0.191 -2.083) 9.567 6.791 ( 9.336 0.191 2.083) 9.567 7.593 ( 2.205 -0.124 -7.860) 8.165 7.593 ( 2.205 -0.124 7.860) 8.165 11.319 ( 0.281 -3.871 -2.082) 4.404 11.319 ( 0.281 -3.871 2.082) 4.404 11.728 ( 4.349 3.665 -4.091) 7.005 11.728 ( 4.349 3.665 4.091) 7.005 12.465 ( 12.228 -6.565 -11.659) 18.126 12.465 ( 12.228 -6.565 11.659) 18.126 13.164 ( -24.116 -0.937 -3.777) 24.428 13.164 ( -24.116 -0.937 3.777) 24.428 13.766 ( -29.745 -7.778 -5.020) 31.152 13.766 ( -29.745 -7.778 5.020) 31.152 15.218 ( -10.181 -5.075 -10.923) 15.770 15.218 ( -10.181 -5.075 10.923) 15.770 16.144 ( -10.451 -4.085 -4.907) 12.247 16.144 ( -10.451 -4.085 4.907) 12.247 17.142 ( 6.778 -5.681 -14.095) 16.640 17.142 ( 6.778 -5.681 14.095) 16.640 17.862 ( -7.608 8.812 -1.483) 11.736 17.862 ( -7.608 8.812 1.483) 11.736 18.691 ( -14.671 -0.804 -16.410) 22.026 18.691 ( -14.671 -0.804 16.410) 22.026 18.865 ( 17.023 2.353 -18.200) 25.031 18.865 ( 17.023 2.353 18.200) 25.031 19.921 ( 2.524 3.870 -5.917) 7.507 19.921 ( 2.524 3.870 5.917) 7.507 20.743 ( -9.128 -3.400 -8.992) 13.257 20.743 ( -9.128 -3.400 8.992) 13.257 21.782 ( -13.700 1.218 -7.640) 15.733 21.782 ( -13.700 1.218 7.640) 15.733 23.134 ( -6.839 7.900 -12.551) 16.331 23.134 ( -6.839 7.900 12.551) 16.331 24.042 ( -0.443 -2.600 -10.110) 10.448 24.042 ( -0.443 -2.600 10.110) 10.448 24.360 ( -10.742 -2.091 -14.502) 18.168 24.360 ( -10.742 -2.091 14.502) 18.168 24.766 ( 1.284 -11.384 -7.965) 13.953 24.766 ( 1.284 -11.384 7.965) 13.953 25.300 ( -12.914 3.021 -4.282) 13.937 25.300 ( -12.914 3.021 4.282) 13.937 26.889 ( 20.177 -16.739 -25.840) 36.810 26.889 ( 20.177 -16.739 25.840) 36.810 28.555 ( 12.999 10.965 -15.448) 22.975 28.555 ( 12.999 10.965 15.448) 22.975 29.346 ( -13.512 2.778 -5.558) 14.872 29.346 ( -13.512 2.778 5.558) 14.872 29.588 ( 5.815 -0.826 -5.823) 8.270 29.588 ( 5.815 -0.826 5.823) 8.270 30.464 ( -5.649 0.167 -1.428) 5.829 30.464 ( -5.649 0.167 1.428) 5.829 31.087 ( 0.297 -2.115 -7.908) 8.192 31.087 ( 0.297 -2.115 7.908) 8.192 33.489 ( 5.408 -0.915 -1.546) 5.699 33.489 ( 5.408 -0.915 1.546) 5.699 34.345 ( -1.092 0.692 -2.247) 2.593 34.345 ( -1.092 0.692 2.247) 2.593 35.244 ( 19.343 5.144 -7.084) 21.232 35.244 ( 19.343 5.144 7.084) 21.232 35.665 ( 2.481 1.303 -0.764) 2.905 35.665 ( 2.481 1.303 0.764) 2.905 38.103 ( -41.919 0.804 -7.189) 42.538 38.103 ( -41.919 0.804 7.189) 42.538 40.871 ( 17.332 -1.414 -3.025) 17.651 40.871 ( 17.332 -1.414 3.025) 17.651 ======================= Grid point 202 (62/75) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -7.266 7.740 -10.503) 14.934 1.050 ( -7.266 7.740 10.503) 14.934 1.146 ( -9.336 8.442 -10.991) 16.710 1.146 ( -9.336 8.442 10.991) 16.710 1.470 ( -3.100 1.007 -2.938) 4.388 1.470 ( -3.100 1.007 2.938) 4.388 1.650 ( -4.179 3.923 -4.141) 7.071 1.650 ( -4.179 3.923 4.141) 7.071 1.889 ( -4.858 6.296 -12.234) 14.592 1.889 ( -4.858 6.296 12.234) 14.592 2.047 ( -0.690 1.743 -3.471) 3.945 2.047 ( -0.690 1.743 3.471) 3.945 2.154 ( -4.487 2.763 -5.424) 7.562 2.154 ( -4.487 2.763 5.424) 7.562 2.231 ( -1.206 -3.738 -3.482) 5.249 2.231 ( -1.206 -3.738 3.482) 5.249 2.381 ( 0.999 -1.999 -0.493) 2.288 2.381 ( 0.999 -1.999 0.493) 2.288 2.552 ( 4.296 -1.562 -2.859) 5.392 2.552 ( 4.296 -1.562 2.859) 5.392 2.633 ( 0.953 0.080 -1.923) 2.148 2.633 ( 0.953 0.080 1.923) 2.148 2.668 ( 1.047 0.642 -2.945) 3.191 2.668 ( 1.047 0.642 2.945) 3.191 3.881 ( 1.494 -4.480 -15.118) 15.838 3.881 ( 1.494 -4.480 15.118) 15.838 4.682 ( -8.671 -0.709 -1.216) 8.784 4.682 ( -8.671 -0.709 1.216) 8.784 5.315 ( 1.639 -0.494 -2.392) 2.941 5.315 ( 1.639 -0.494 2.392) 2.941 5.431 ( -1.712 -0.491 -3.046) 3.528 5.431 ( -1.712 -0.491 3.046) 3.528 5.734 ( -1.862 -0.698 -2.690) 3.345 5.734 ( -1.862 -0.698 2.690) 3.345 5.847 ( 2.303 -1.056 -2.158) 3.328 5.847 ( 2.303 -1.056 2.158) 3.328 6.920 ( 4.491 0.099 -1.374) 4.697 6.920 ( 4.491 0.099 1.374) 4.697 7.628 ( 1.282 -0.114 -10.781) 10.857 7.628 ( 1.282 -0.114 10.781) 10.857 11.370 ( 1.143 -4.617 -1.667) 5.040 11.370 ( 1.143 -4.617 1.667) 5.040 11.826 ( 9.682 3.157 -3.797) 10.868 11.826 ( 9.682 3.157 3.797) 10.868 12.475 ( -19.158 -0.933 -4.356) 19.670 12.475 ( -19.158 -0.933 4.356) 19.670 12.996 ( 3.658 -10.470 -9.120) 14.358 12.996 ( 3.658 -10.470 9.120) 14.358 13.443 ( -9.390 -13.387 -12.745) 20.732 13.443 ( -9.390 -13.387 12.745) 20.732 15.049 ( -11.965 -4.952 -15.331) 20.068 15.049 ( -11.965 -4.952 15.331) 20.068 16.003 ( -8.024 -5.904 -2.959) 10.392 16.003 ( -8.024 -5.904 2.959) 10.392 17.302 ( 6.116 -4.652 -5.244) 9.303 17.302 ( 6.116 -4.652 5.244) 9.303 17.658 ( -5.759 9.359 -0.822) 11.020 17.658 ( -5.759 9.359 0.822) 11.020 18.385 ( -15.167 -0.733 -17.083) 22.857 18.385 ( -15.167 -0.733 17.083) 22.857 19.263 ( 22.939 -4.320 -23.002) 32.771 19.263 ( 22.939 -4.320 23.002) 32.771 19.973 ( 6.480 3.658 -5.051) 8.993 19.973 ( 6.480 3.658 5.051) 8.993 20.593 ( -10.406 -3.028 -9.799) 14.611 20.593 ( -10.406 -3.028 9.799) 14.611 21.455 ( -22.195 -4.652 -8.760) 24.310 21.455 ( -22.195 -4.652 8.760) 24.310 22.942 ( -3.712 14.926 -18.860) 24.336 22.942 ( -3.712 14.926 18.860) 24.336 24.024 ( -2.829 0.240 -16.611) 16.852 24.024 ( -2.829 0.240 16.611) 16.852 24.156 ( -6.925 2.637 -5.987) 9.526 24.156 ( -6.925 2.637 5.987) 9.526 24.823 ( -6.828 -4.329 -3.268) 8.720 24.823 ( -6.828 -4.329 3.268) 8.720 25.190 ( 2.474 -3.238 -10.879) 11.617 25.190 ( 2.474 -3.238 10.879) 11.617 27.422 ( 16.149 -28.423 -26.059) 41.806 27.422 ( 16.149 -28.423 26.059) 41.806 28.712 ( 11.725 7.377 -12.793) 18.857 28.712 ( 11.725 7.377 12.793) 18.857 29.096 ( -6.238 6.639 -12.009) 15.073 29.096 ( -6.238 6.639 12.009) 15.073 29.758 ( 9.670 -1.340 -6.144) 11.535 29.758 ( 9.670 -1.340 6.144) 11.535 30.303 ( -13.057 -2.433 -2.223) 13.466 30.303 ( -13.057 -2.433 2.223) 13.466 31.115 ( 2.103 0.579 -9.517) 9.764 31.115 ( 2.103 0.579 9.517) 9.764 33.579 ( 3.475 -0.110 -2.787) 4.455 33.579 ( 3.475 -0.110 2.787) 4.455 34.345 ( 1.121 -0.700 -1.606) 2.080 34.345 ( 1.121 -0.700 1.606) 2.080 35.526 ( 12.680 6.760 -7.755) 16.328 35.526 ( 12.680 6.760 7.755) 16.328 35.755 ( 13.706 6.990 -2.260) 15.550 35.755 ( 13.706 6.990 2.260) 15.550 37.273 ( -44.661 2.791 -7.662) 45.399 37.273 ( -44.661 2.791 7.662) 45.399 41.161 ( 11.421 -3.426 -3.083) 12.316 41.161 ( 11.421 -3.426 3.083) 12.316 ======================= Grid point 204 (63/75) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -0.000 5.638 -18.088) 18.946 0.927 ( -0.000 5.638 18.088) 18.946 0.961 ( -0.000 7.761 -20.034) 21.485 0.961 ( -0.000 7.761 20.034) 21.485 1.396 ( -0.000 4.622 -9.691) 10.737 1.396 ( -0.000 4.622 9.691) 10.737 1.587 ( -0.000 2.902 -8.573) 9.050 1.587 ( -0.000 2.902 8.573) 9.050 1.818 ( -0.000 3.060 -8.875) 9.387 1.818 ( -0.000 3.060 8.875) 9.387 2.033 ( -0.000 1.301 -3.095) 3.357 2.033 ( -0.000 1.301 3.095) 3.357 2.086 ( -0.000 1.880 -7.075) 7.321 2.086 ( -0.000 1.880 7.075) 7.321 2.247 ( 0.000 -2.797 -3.532) 4.505 2.247 ( 0.000 -2.797 3.532) 4.505 2.407 ( 0.000 -1.771 -0.537) 1.851 2.407 ( 0.000 -1.771 0.537) 1.851 2.609 ( -0.000 0.576 -2.668) 2.729 2.609 ( -0.000 0.576 2.668) 2.729 2.636 ( 0.000 -1.435 -3.433) 3.721 2.636 ( 0.000 -1.435 3.433) 3.721 2.679 ( -0.000 0.083 -3.199) 3.200 2.679 ( -0.000 0.083 3.199) 3.200 3.949 ( 0.000 -5.817 -13.031) 14.270 3.949 ( 0.000 -5.817 13.031) 14.270 4.596 ( 0.000 -0.166 -0.482) 0.509 4.596 ( 0.000 -0.166 0.482) 0.509 5.335 ( 0.000 -0.513 -1.780) 1.853 5.335 ( 0.000 -0.513 1.780) 1.853 5.423 ( -0.000 0.586 -4.444) 4.482 5.423 ( -0.000 0.586 4.444) 4.482 5.708 ( 0.000 -0.089 -1.410) 1.413 5.708 ( 0.000 -0.089 1.410) 1.413 5.878 ( 0.000 -0.732 -2.020) 2.149 5.878 ( 0.000 -0.732 2.020) 2.149 6.959 ( -0.000 0.143 -1.688) 1.694 6.959 ( -0.000 0.143 1.688) 1.694 7.641 ( 0.000 -0.010 -11.864) 11.864 7.641 ( 0.000 -0.010 11.864) 11.864 11.417 ( 0.000 -3.828 -3.075) 4.910 11.417 ( 0.000 -3.828 3.075) 4.910 12.015 ( -0.000 1.824 -10.339) 10.498 12.015 ( -0.000 1.824 10.339) 10.498 12.143 ( -0.000 0.204 -8.763) 8.766 12.143 ( -0.000 0.204 8.763) 8.766 13.077 ( 0.000 -6.061 -10.414) 12.050 13.077 ( 0.000 -6.061 10.414) 12.050 13.618 ( 0.000 -22.801 -6.285) 23.651 13.618 ( 0.000 -22.801 6.285) 23.651 14.924 ( 0.000 -1.623 -12.215) 12.322 14.924 ( 0.000 -1.623 12.215) 12.322 15.971 ( 0.000 -5.725 -2.905) 6.420 15.971 ( 0.000 -5.725 2.905) 6.420 17.417 ( 0.000 -5.941 -0.739) 5.986 17.417 ( 0.000 -5.941 0.739) 5.986 17.525 ( -0.000 8.413 -0.847) 8.455 17.525 ( -0.000 8.413 0.847) 8.455 18.227 ( 0.000 -0.189 -17.182) 17.183 18.227 ( 0.000 -0.189 17.182) 17.183 19.647 ( 0.000 -17.467 -26.627) 31.845 19.647 ( 0.000 -17.467 26.627) 31.845 20.103 ( -0.000 1.947 -15.353) 15.476 20.103 ( -0.000 1.947 15.353) 15.476 20.395 ( -0.000 2.892 -3.352) 4.427 20.395 ( -0.000 2.892 3.352) 4.427 21.193 ( 0.000 -1.228 -14.633) 14.685 21.193 ( 0.000 -1.228 14.633) 14.685 22.769 ( -0.000 18.465 -20.441) 27.547 22.769 ( -0.000 18.465 20.441) 27.547 23.973 ( -0.000 0.120 -14.654) 14.655 23.973 ( -0.000 0.120 14.654) 14.655 24.075 ( -0.000 4.577 -9.748) 10.769 24.075 ( -0.000 4.577 9.748) 10.769 24.743 ( 0.000 -0.187 -4.137) 4.141 24.743 ( 0.000 -0.187 4.137) 4.141 25.267 ( 0.000 -3.731 -12.531) 13.075 25.267 ( 0.000 -3.731 12.531) 13.075 27.845 ( 0.000 -35.291 -16.488) 38.952 27.845 ( 0.000 -35.291 16.488) 38.952 28.817 ( 0.000 -1.649 -1.641) 2.327 28.817 ( 0.000 -1.649 1.641) 2.327 29.015 ( -0.000 11.406 -22.753) 25.452 29.015 ( -0.000 11.406 22.753) 25.452 29.946 ( 0.000 -2.921 -10.808) 11.196 29.946 ( 0.000 -2.921 10.808) 11.196 30.070 ( -0.000 1.600 -1.844) 2.441 30.070 ( -0.000 1.600 1.844) 2.441 31.136 ( -0.000 1.204 -8.531) 8.616 31.136 ( -0.000 1.204 8.531) 8.616 33.612 ( -0.000 0.240 -2.968) 2.977 33.612 ( -0.000 0.240 2.968) 2.977 34.382 ( 0.000 -3.160 -0.869) 3.277 34.382 ( 0.000 -3.160 0.869) 3.277 35.583 ( -0.000 4.096 -5.062) 6.512 35.583 ( -0.000 4.096 5.062) 6.512 35.930 ( -0.000 19.523 -7.965) 21.085 35.930 ( -0.000 19.523 7.965) 21.085 36.660 ( -0.000 0.050 -0.880) 0.882 36.660 ( -0.000 0.050 0.880) 0.882 41.313 ( 0.000 -4.445 -1.187) 4.601 41.313 ( 0.000 -4.445 1.187) 4.601 ======================= Grid point 210 (64/75) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 3.666 -0.000 -4.224) 5.594 1.401 ( 3.666 -0.000 4.224) 5.594 1.473 ( -1.086 0.000 -2.988) 3.179 1.473 ( -1.086 0.000 2.988) 3.179 1.787 ( 12.591 -0.000 -7.012) 14.411 1.787 ( 12.591 -0.000 7.012) 14.411 2.019 ( 5.620 -0.000 -2.223) 6.044 2.019 ( 5.620 -0.000 2.223) 6.044 2.078 ( -4.754 0.000 -0.150) 4.757 2.078 ( -4.754 0.000 0.150) 4.757 2.154 ( -0.735 0.000 -0.674) 0.997 2.154 ( -0.735 0.000 0.674) 0.997 2.225 ( -2.339 0.000 -0.737) 2.452 2.225 ( -2.339 0.000 0.737) 2.452 2.269 ( -5.103 0.000 -1.574) 5.341 2.269 ( -5.103 0.000 1.574) 5.341 2.362 ( -0.249 0.000 -2.596) 2.608 2.362 ( -0.249 0.000 2.596) 2.608 2.443 ( -1.022 0.000 -2.231) 2.454 2.443 ( -1.022 0.000 2.231) 2.454 2.524 ( 3.180 -0.000 -1.524) 3.527 2.524 ( 3.180 -0.000 1.524) 3.527 2.738 ( 8.683 -0.000 -2.480) 9.030 2.738 ( 8.683 -0.000 2.480) 9.030 3.850 ( -0.721 0.000 -4.507) 4.565 3.850 ( -0.721 0.000 4.507) 4.565 5.227 ( -0.909 0.000 -0.507) 1.041 5.227 ( -0.909 0.000 0.507) 1.041 5.278 ( 8.126 -0.000 -2.576) 8.525 5.278 ( 8.126 -0.000 2.576) 8.525 5.456 ( -6.283 0.000 -4.089) 7.496 5.456 ( -6.283 0.000 4.089) 7.496 5.781 ( -0.918 0.000 -0.848) 1.249 5.781 ( -0.918 0.000 0.848) 1.249 6.008 ( 10.776 -0.000 -3.739) 11.406 6.008 ( 10.776 -0.000 3.739) 11.406 6.309 ( -13.061 0.000 -0.127) 13.061 6.309 ( -13.061 0.000 0.127) 13.061 7.541 ( -0.770 0.000 -1.474) 1.664 7.541 ( -0.770 0.000 1.474) 1.664 11.327 ( -2.087 0.000 -2.727) 3.434 11.327 ( -2.087 0.000 2.727) 3.434 11.673 ( 5.462 -0.000 -0.516) 5.486 11.673 ( 5.462 -0.000 0.516) 5.486 12.050 ( -10.516 0.000 -10.170) 14.629 12.050 ( -10.516 0.000 10.170) 14.629 13.915 ( 11.006 -0.000 -9.151) 14.313 13.915 ( 11.006 -0.000 9.151) 14.313 14.734 ( 1.684 -0.000 -12.402) 12.516 14.734 ( 1.684 -0.000 12.402) 12.516 15.501 ( 6.799 -0.000 -3.124) 7.482 15.501 ( 6.799 -0.000 3.124) 7.482 16.396 ( 5.180 -0.000 -14.332) 15.239 16.396 ( 5.180 -0.000 14.332) 15.239 16.922 ( -17.144 0.000 -22.394) 28.203 16.922 ( -17.144 0.000 22.394) 28.203 18.080 ( 8.834 -0.000 -7.827) 11.803 18.080 ( 8.834 -0.000 7.827) 11.803 18.233 ( -2.155 0.000 -9.763) 9.998 18.233 ( -2.155 0.000 9.763) 9.998 19.160 ( 1.055 -0.000 -0.153) 1.066 19.160 ( 1.055 -0.000 0.153) 1.066 20.117 ( 8.081 -0.000 -3.185) 8.686 20.117 ( 8.081 -0.000 3.185) 8.686 20.834 ( -2.956 0.000 -6.589) 7.222 20.834 ( -2.956 0.000 6.589) 7.222 22.085 ( 12.466 -0.000 -8.070) 14.850 22.085 ( 12.466 -0.000 8.070) 14.850 23.070 ( -0.727 0.000 -3.399) 3.476 23.070 ( -0.727 0.000 3.399) 3.476 24.078 ( -7.343 0.000 -7.556) 10.537 24.078 ( -7.343 0.000 7.556) 10.537 24.422 ( -5.385 0.000 -7.793) 9.472 24.422 ( -5.385 0.000 7.793) 9.472 25.312 ( 15.400 -0.000 -11.754) 19.374 25.312 ( 15.400 -0.000 11.754) 19.374 25.837 ( 4.585 -0.000 -9.212) 10.290 25.837 ( 4.585 -0.000 9.212) 10.290 26.221 ( -22.893 0.000 -14.549) 27.125 26.221 ( -22.893 0.000 14.549) 27.125 28.124 ( 3.709 -0.000 -0.994) 3.840 28.124 ( 3.709 -0.000 0.994) 3.840 29.317 ( -3.464 0.000 -0.909) 3.582 29.317 ( -3.464 0.000 0.909) 3.582 29.960 ( 10.974 -0.000 -2.318) 11.216 29.960 ( 10.974 -0.000 2.318) 11.216 30.470 ( 2.602 -0.000 -0.680) 2.690 30.470 ( 2.602 -0.000 0.680) 2.690 31.114 ( -4.660 0.000 -5.203) 6.985 31.114 ( -4.660 0.000 5.203) 6.985 33.332 ( -3.430 0.000 -0.324) 3.445 33.332 ( -3.430 0.000 0.324) 3.445 34.465 ( 5.232 -0.000 -2.946) 6.004 34.465 ( 5.232 -0.000 2.946) 6.004 34.701 ( -6.982 0.000 -1.443) 7.129 34.701 ( -6.982 0.000 1.443) 7.129 35.617 ( 0.153 -0.000 -0.172) 0.231 35.617 ( 0.153 -0.000 0.172) 0.231 39.481 ( 32.175 -0.000 -3.974) 32.420 39.481 ( 32.175 -0.000 3.974) 32.420 40.040 ( -27.308 0.000 -1.665) 27.359 40.040 ( -27.308 0.000 1.665) 27.359 ======================= Grid point 212 (65/75) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -0.264 0.901 -1.978) 2.189 1.444 ( -0.264 0.901 1.978) 2.189 1.460 ( 0.950 -0.632 -1.661) 2.015 1.460 ( 0.950 -0.632 1.661) 2.015 1.929 ( -7.606 2.261 -0.392) 7.944 1.929 ( -7.606 2.261 0.392) 7.944 1.979 ( 6.028 -1.090 -3.348) 6.980 1.979 ( 6.028 -1.090 3.348) 6.980 2.057 ( -1.558 -0.285 -0.951) 1.847 2.057 ( -1.558 -0.285 0.951) 1.847 2.148 ( -4.055 -0.627 -0.305) 4.114 2.148 ( -4.055 -0.627 0.305) 4.114 2.182 ( -1.001 -0.082 -0.788) 1.277 2.182 ( -1.001 -0.082 0.788) 1.277 2.240 ( 2.976 0.050 -1.950) 3.558 2.240 ( 2.976 0.050 1.950) 3.558 2.324 ( -0.642 1.106 -1.226) 1.772 2.324 ( -0.642 1.106 1.226) 1.772 2.473 ( 2.117 -0.900 -3.094) 3.855 2.473 ( 2.117 -0.900 3.094) 3.855 2.576 ( 2.215 0.565 -1.616) 2.800 2.576 ( 2.215 0.565 1.616) 2.800 2.839 ( 1.633 0.361 -0.958) 1.927 2.839 ( 1.633 0.361 0.958) 1.927 3.833 ( -1.498 -0.906 -2.940) 3.422 3.833 ( -1.498 -0.906 2.940) 3.422 5.206 ( -2.060 -0.174 -0.294) 2.089 5.206 ( -2.060 -0.174 0.294) 2.089 5.314 ( -6.230 0.399 -2.082) 6.581 5.314 ( -6.230 0.399 2.082) 6.581 5.431 ( 6.218 -0.170 -4.409) 7.624 5.431 ( 6.218 -0.170 4.409) 7.624 5.756 ( -1.864 -0.115 -0.041) 1.868 5.756 ( -1.864 -0.115 0.041) 1.868 5.956 ( -13.037 -0.587 -0.813) 13.075 5.956 ( -13.037 -0.587 0.813) 13.075 6.339 ( 13.202 0.271 -3.729) 13.721 6.339 ( 13.202 0.271 3.729) 13.721 7.539 ( 0.841 0.548 -1.348) 1.681 7.539 ( 0.841 0.548 1.348) 1.681 11.289 ( -2.240 -0.834 -3.221) 4.011 11.289 ( -2.240 -0.834 3.221) 4.011 11.776 ( 3.046 1.561 -2.204) 4.071 11.776 ( 3.046 1.561 2.204) 4.071 11.942 ( 1.197 -1.792 -2.387) 3.215 11.942 ( 1.197 -1.792 2.387) 3.215 13.964 ( -6.640 1.129 -1.790) 6.969 13.964 ( -6.640 1.129 1.790) 6.969 14.571 ( -15.987 -0.650 -2.581) 16.207 14.571 ( -15.987 -0.650 2.581) 16.207 15.540 ( -5.848 -0.573 -3.402) 6.790 15.540 ( -5.848 -0.573 3.402) 6.790 16.463 ( -4.647 0.229 -2.051) 5.085 16.463 ( -4.647 0.229 2.051) 5.085 16.675 ( -1.169 -2.647 -5.826) 6.505 16.675 ( -1.169 -2.647 5.826) 6.505 18.209 ( 0.486 1.471 -3.895) 4.192 18.209 ( 0.486 1.471 3.895) 4.192 18.297 ( 12.862 0.581 -12.415) 17.886 18.297 ( 12.862 0.581 12.415) 17.886 19.111 ( -6.587 -1.465 -4.476) 8.097 19.111 ( -6.587 -1.465 4.476) 8.097 20.182 ( 2.464 9.394 -7.469) 12.252 20.182 ( 2.464 9.394 7.469) 12.252 20.795 ( -4.529 -7.866 -7.967) 12.077 20.795 ( -4.529 -7.866 7.967) 12.077 22.257 ( 7.160 9.371 -13.163) 17.673 22.257 ( 7.160 9.371 13.163) 17.673 23.100 ( 0.244 -12.039 -8.021) 14.468 23.100 ( 0.244 -12.039 8.021) 14.468 23.891 ( -11.209 -1.762 -9.592) 14.857 23.891 ( -11.209 -1.762 9.592) 14.857 24.360 ( -0.363 2.807 -17.273) 17.503 24.360 ( -0.363 2.807 17.273) 17.503 25.386 ( -15.903 1.626 -5.591) 16.936 25.386 ( -15.903 1.626 5.591) 16.936 25.749 ( 2.049 7.198 -5.114) 9.064 25.749 ( 2.049 7.198 5.114) 9.064 26.062 ( -1.235 -8.349 -2.841) 8.905 26.062 ( -1.235 -8.349 2.841) 8.905 28.266 ( 11.583 1.337 -6.780) 13.487 28.266 ( 11.583 1.337 6.780) 13.487 29.294 ( 0.984 -0.332 -0.933) 1.396 29.294 ( 0.984 -0.332 0.933) 1.396 29.981 ( -7.901 -1.110 -4.398) 9.111 29.981 ( -7.901 -1.110 4.398) 9.111 30.609 ( 11.071 4.306 -2.702) 12.182 30.609 ( 11.071 4.306 2.702) 12.182 30.994 ( -8.117 -2.890 -3.577) 9.329 30.994 ( -8.117 -2.890 3.577) 9.329 33.304 ( 0.658 -0.272 -0.656) 0.968 33.304 ( 0.658 -0.272 0.656) 0.968 34.485 ( -3.620 0.494 -0.937) 3.771 34.485 ( -3.620 0.494 0.937) 3.771 34.714 ( 9.081 -0.313 -2.628) 9.459 34.714 ( 9.081 -0.313 2.628) 9.459 35.627 ( 0.893 0.070 -0.312) 0.948 35.627 ( 0.893 0.070 0.312) 0.948 39.486 ( -32.108 0.008 -1.856) 32.162 39.486 ( -32.108 0.008 1.856) 32.162 40.035 ( 27.031 -0.067 -2.568) 27.153 40.035 ( 27.031 -0.067 2.568) 27.153 ======================= Grid point 214 (66/75) ======================= q-point: (-0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -2.165 1.436 -3.246) 4.157 1.408 ( -2.165 1.436 3.246) 4.157 1.485 ( 0.933 -0.008 -3.459) 3.583 1.485 ( 0.933 -0.008 3.459) 3.583 1.753 ( -7.452 6.078 -1.260) 9.699 1.753 ( -7.452 6.078 1.260) 9.699 1.945 ( -7.237 1.317 -2.223) 7.685 1.945 ( -7.237 1.317 2.223) 7.685 2.056 ( -1.967 -3.208 -1.335) 3.993 2.056 ( -1.967 -3.208 1.335) 3.993 2.114 ( -0.025 -1.552 -1.702) 2.303 2.114 ( -0.025 -1.552 1.702) 2.303 2.170 ( 0.080 -0.654 -0.213) 0.693 2.170 ( 0.080 -0.654 0.213) 0.693 2.296 ( 2.990 -0.334 -2.849) 4.144 2.296 ( 2.990 -0.334 2.849) 4.144 2.360 ( 3.305 0.368 -2.082) 3.924 2.360 ( 3.305 0.368 2.082) 3.924 2.501 ( 0.135 0.833 -1.445) 1.673 2.501 ( 0.135 0.833 1.445) 1.673 2.590 ( 0.115 0.977 -1.009) 1.409 2.590 ( 0.115 0.977 1.009) 1.409 2.793 ( -4.163 3.160 -3.031) 6.042 2.793 ( -4.163 3.160 3.031) 6.042 3.813 ( -1.766 -1.992 -9.251) 9.626 3.813 ( -1.766 -1.992 9.251) 9.626 5.085 ( -10.792 -0.143 -1.087) 10.848 5.085 ( -10.792 -0.143 1.087) 10.848 5.252 ( -0.139 -0.023 -1.310) 1.318 5.252 ( -0.139 -0.023 1.310) 1.318 5.526 ( 1.705 -0.323 -4.989) 5.282 5.526 ( 1.705 -0.323 4.989) 5.282 5.693 ( -4.386 -1.371 -0.951) 4.692 5.693 ( -4.386 -1.371 0.951) 4.692 5.791 ( -3.494 -0.775 -0.320) 3.593 5.791 ( -3.494 -0.775 0.320) 3.593 6.589 ( 12.879 0.305 -3.619) 13.381 6.589 ( 12.879 0.305 3.619) 13.381 7.562 ( 2.006 0.755 -4.411) 4.904 7.562 ( 2.006 0.755 4.411) 4.904 11.261 ( -1.847 -2.097 -3.827) 4.739 11.261 ( -1.847 -2.097 3.827) 4.739 11.762 ( 0.276 2.587 -1.871) 3.205 11.762 ( 0.276 2.587 1.871) 3.205 12.112 ( 11.284 -3.606 -1.813) 11.984 12.112 ( 11.284 -3.606 1.813) 11.984 13.662 ( -21.951 3.188 -7.524) 23.423 13.662 ( -21.951 3.188 7.524) 23.423 14.177 ( -29.324 -5.440 -7.297) 30.704 14.177 ( -29.324 -5.440 7.297) 30.704 15.348 ( -12.246 -1.043 -0.947) 12.326 15.348 ( -12.246 -1.043 0.947) 12.326 16.273 ( -11.869 -2.055 -7.989) 14.454 16.273 ( -11.869 -2.055 7.989) 14.454 16.855 ( 11.024 -3.830 -20.983) 24.010 16.855 ( 11.024 -3.830 20.983) 24.010 18.149 ( -3.996 4.599 -1.422) 6.256 18.149 ( -3.996 4.599 1.422) 6.256 18.580 ( 17.571 2.510 -16.427) 24.184 18.580 ( 17.571 2.510 16.427) 24.184 18.946 ( -12.748 -2.627 -8.824) 15.725 18.946 ( -12.748 -2.627 8.824) 15.725 20.096 ( -1.325 10.946 -9.008) 14.238 20.096 ( -1.325 10.946 9.008) 14.238 20.761 ( -6.725 -8.254 -8.510) 13.630 20.761 ( -6.725 -8.254 8.510) 13.630 22.155 ( -8.704 10.983 -12.835) 19.003 22.155 ( -8.704 10.983 12.835) 19.003 23.229 ( 0.342 -9.748 -16.508) 19.174 23.229 ( 0.342 -9.748 16.508) 19.174 23.793 ( -0.985 -8.759 -6.049) 10.691 23.793 ( -0.985 -8.759 6.049) 10.691 24.356 ( 2.023 2.560 -22.166) 22.405 24.356 ( 2.023 2.560 22.166) 22.405 24.948 ( -23.383 1.798 -8.616) 24.985 24.948 ( -23.383 1.798 8.616) 24.985 25.626 ( -11.969 3.388 -6.805) 14.179 25.626 ( -11.969 3.388 6.805) 14.179 26.287 ( 15.882 -7.800 -15.898) 23.787 26.287 ( 15.882 -7.800 15.898) 23.787 28.496 ( 14.554 4.741 -13.038) 20.106 28.496 ( 14.554 4.741 13.038) 20.106 29.357 ( 4.714 -1.120 -0.608) 4.883 29.357 ( 4.714 -1.120 0.608) 4.883 29.756 ( -15.427 -0.415 -5.962) 16.545 29.756 ( -15.427 -0.415 5.962) 16.545 30.651 ( -2.264 8.756 -0.381) 9.052 30.651 ( -2.264 8.756 0.381) 9.052 30.958 ( 0.692 -7.561 -3.912) 8.541 30.958 ( 0.692 -7.561 3.912) 8.541 33.362 ( 4.816 -0.830 -0.911) 4.971 33.362 ( 4.816 -0.830 0.911) 4.971 34.408 ( -3.334 0.726 -1.660) 3.794 34.408 ( -3.334 0.726 1.660) 3.794 34.962 ( 16.813 0.719 -4.203) 17.346 34.962 ( 16.813 0.719 4.203) 17.346 35.648 ( 1.574 0.374 -0.787) 1.799 35.648 ( 1.574 0.374 0.787) 1.799 38.842 ( -36.981 0.015 -3.130) 37.113 38.842 ( -36.981 0.015 3.130) 37.113 40.491 ( 21.787 -0.279 -2.088) 21.889 40.491 ( 21.787 -0.279 2.088) 21.889 ======================= Grid point 216 (67/75) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -4.290 3.863 -4.265) 7.178 1.331 ( -4.290 3.863 4.265) 7.178 1.488 ( -0.632 1.854 -3.502) 4.013 1.488 ( -0.632 1.854 3.502) 4.013 1.555 ( -6.672 9.065 -5.253) 12.421 1.555 ( -6.672 9.065 5.253) 12.421 1.793 ( -6.930 1.135 -4.324) 8.247 1.793 ( -6.930 1.135 4.324) 8.247 2.036 ( -2.694 -3.742 -0.881) 4.695 2.036 ( -2.694 -3.742 0.881) 4.695 2.116 ( -0.530 -0.059 -0.667) 0.854 2.116 ( -0.530 -0.059 0.667) 0.854 2.195 ( 0.706 -0.687 -0.833) 1.290 2.195 ( 0.706 -0.687 0.833) 1.290 2.340 ( 0.234 0.495 -2.247) 2.313 2.340 ( 0.234 0.495 2.247) 2.313 2.371 ( -4.842 2.977 -5.164) 7.679 2.371 ( -4.842 2.977 5.164) 7.679 2.447 ( 0.717 1.460 -3.104) 3.504 2.447 ( 0.717 1.460 3.104) 3.504 2.597 ( 1.251 -0.345 -1.558) 2.028 2.597 ( 1.251 -0.345 1.558) 2.028 2.703 ( -1.744 2.319 -1.264) 3.165 2.703 ( -1.744 2.319 1.264) 3.165 3.801 ( -1.418 -2.801 -13.349) 13.713 3.801 ( -1.418 -2.801 13.349) 13.713 4.864 ( -12.157 -0.526 -0.514) 12.180 4.864 ( -12.157 -0.526 0.514) 12.180 5.269 ( 1.271 -0.607 -2.284) 2.683 5.269 ( 1.271 -0.607 2.284) 2.683 5.469 ( -5.219 -1.360 -0.718) 5.441 5.469 ( -5.219 -1.360 0.718) 5.441 5.711 ( 2.238 -1.011 -2.997) 3.874 5.711 ( 2.238 -1.011 2.997) 3.874 5.778 ( 0.638 -1.297 -1.714) 2.242 5.778 ( 0.638 -1.297 1.714) 2.242 6.795 ( 9.236 0.254 -2.661) 9.615 6.795 ( 9.236 0.254 2.661) 9.615 7.597 ( 2.205 0.534 -7.794) 8.118 7.597 ( 2.205 0.534 7.794) 8.118 11.259 ( -0.620 -3.463 -3.732) 5.129 11.259 ( -0.620 -3.463 3.732) 5.129 11.780 ( 4.020 2.656 -4.134) 6.348 11.780 ( 4.020 2.656 4.134) 6.348 12.366 ( 11.311 -5.326 -5.926) 13.836 12.366 ( 11.311 -5.326 5.926) 13.836 13.175 ( -26.223 2.382 -2.244) 26.427 13.175 ( -26.223 2.382 2.244) 26.427 13.628 ( -32.476 -9.027 -4.711) 34.035 13.628 ( -32.476 -9.027 4.711) 34.035 15.148 ( -11.496 -3.523 -9.051) 15.049 15.148 ( -11.496 -3.523 9.051) 15.049 16.073 ( -12.244 -4.303 -4.760) 13.823 16.073 ( -12.244 -4.303 4.760) 13.823 17.078 ( 9.903 -2.353 -16.540) 19.421 17.078 ( 9.903 -2.353 16.540) 19.421 17.999 ( -6.410 7.563 -0.370) 9.921 17.999 ( -6.410 7.563 0.370) 9.921 18.671 ( -16.198 -1.392 -14.267) 21.630 18.671 ( -16.198 -1.392 14.267) 21.630 18.907 ( 17.665 2.446 -19.023) 26.075 18.907 ( 17.665 2.446 19.023) 26.075 20.012 ( 0.826 6.951 -10.591) 12.695 20.012 ( 0.826 6.951 10.591) 12.695 20.671 ( -8.461 -5.277 -10.248) 14.299 20.671 ( -8.461 -5.277 10.248) 14.299 21.811 ( -21.177 2.238 -12.351) 24.618 21.811 ( -21.177 2.238 12.351) 24.618 23.217 ( -2.771 2.589 -17.475) 17.881 23.217 ( -2.771 2.589 17.475) 17.881 23.956 ( 6.633 -8.371 -8.011) 13.351 23.956 ( 6.633 -8.371 8.011) 13.351 24.328 ( -8.569 -0.585 -22.102) 23.713 24.328 ( -8.569 -0.585 22.102) 23.713 24.649 ( -3.849 -3.474 -5.060) 7.245 24.649 ( -3.849 -3.474 5.060) 7.245 25.343 ( -14.068 2.220 -6.496) 15.654 25.343 ( -14.068 2.220 6.496) 15.654 26.686 ( 18.738 -9.045 -24.080) 31.824 26.686 ( 18.738 -9.045 24.080) 31.824 28.698 ( 11.539 7.105 -16.749) 21.545 28.698 ( 11.539 7.105 16.749) 21.545 29.366 ( -11.134 0.104 -4.704) 12.088 29.366 ( -11.134 0.104 4.704) 12.088 29.572 ( 3.265 -1.274 -5.353) 6.398 29.572 ( 3.265 -1.274 5.353) 6.398 30.485 ( -9.341 2.260 -1.211) 9.687 30.485 ( -9.341 2.260 1.211) 9.687 31.047 ( 3.340 -2.615 -8.727) 9.703 31.047 ( 3.340 -2.615 8.727) 9.703 33.475 ( 6.006 -0.752 -1.830) 6.323 33.475 ( 6.006 -0.752 1.830) 6.323 34.358 ( -1.261 0.863 -1.665) 2.260 34.358 ( -1.261 0.863 1.665) 2.260 35.310 ( 21.531 3.112 -6.091) 22.591 35.310 ( 21.531 3.112 6.091) 22.591 35.684 ( 3.396 0.981 -0.755) 3.615 35.684 ( 3.396 0.981 0.755) 3.615 38.113 ( -41.106 0.401 -5.277) 41.445 38.113 ( -41.106 0.401 5.277) 41.445 40.850 ( 16.246 -1.084 -2.486) 16.470 40.850 ( 16.246 -1.084 2.486) 16.470 ======================= Grid point 218 (68/75) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -4.983 8.442 -7.845) 12.556 1.188 ( -4.983 8.442 7.845) 12.556 1.312 ( -7.482 11.940 -10.327) 17.470 1.312 ( -7.482 11.940 10.327) 17.470 1.482 ( -1.453 0.782 -3.210) 3.609 1.482 ( -1.453 0.782 3.210) 3.609 1.693 ( -2.747 1.511 -4.196) 5.238 1.693 ( -2.747 1.511 4.196) 5.238 2.000 ( -2.227 4.818 -6.174) 8.142 2.000 ( -2.227 4.818 6.174) 8.142 2.089 ( -0.763 3.495 -3.012) 4.676 2.089 ( -0.763 3.495 3.012) 4.676 2.160 ( -4.174 -1.882 -4.345) 6.312 2.160 ( -4.174 -1.882 4.345) 6.312 2.216 ( -3.217 3.123 -2.516) 5.141 2.216 ( -3.217 3.123 2.516) 5.141 2.353 ( 0.470 -1.178 -1.165) 1.722 2.353 ( 0.470 -1.178 1.165) 1.722 2.521 ( 4.160 -2.226 -3.527) 5.891 2.521 ( 4.160 -2.226 3.527) 5.891 2.621 ( 0.033 -1.374 -2.462) 2.820 2.621 ( 0.033 -1.374 2.462) 2.820 2.681 ( 0.045 0.571 -2.024) 2.104 2.681 ( 0.045 0.571 2.024) 2.104 3.811 ( -0.377 -4.104 -15.460) 16.000 3.811 ( -0.377 -4.104 15.460) 16.000 4.672 ( -8.262 -0.574 -0.714) 8.312 4.672 ( -8.262 -0.574 0.714) 8.312 5.299 ( 0.802 -1.327 -2.564) 2.996 5.299 ( 0.802 -1.327 2.564) 2.996 5.416 ( -1.379 -1.487 -3.356) 3.921 5.416 ( -1.379 -1.487 3.356) 3.921 5.722 ( -1.241 -0.738 -2.243) 2.668 5.722 ( -1.241 -0.738 2.243) 2.668 5.828 ( 2.447 -1.259 -3.017) 4.083 5.828 ( 2.447 -1.259 3.017) 4.083 6.922 ( 4.547 0.206 -1.571) 4.815 6.922 ( 4.547 0.206 1.571) 4.815 7.629 ( 1.417 0.268 -10.919) 11.014 7.629 ( 1.417 0.268 10.919) 11.014 11.292 ( 0.495 -4.790 -2.893) 5.617 11.292 ( 0.495 -4.790 2.893) 5.617 11.876 ( 9.124 2.908 -4.556) 10.605 11.876 ( 9.124 2.908 4.556) 10.605 12.461 ( -13.573 -0.776 -5.153) 14.539 12.461 ( -13.573 -0.776 5.153) 14.539 12.834 ( -2.508 -8.543 -6.510) 11.030 12.834 ( -2.508 -8.543 6.510) 11.030 13.228 ( -17.738 -12.934 -10.200) 24.206 13.228 ( -17.738 -12.934 10.200) 24.206 14.973 ( -10.196 -4.395 -13.062) 17.143 14.973 ( -10.196 -4.395 13.062) 17.143 15.907 ( -8.857 -5.615 -2.637) 10.814 15.907 ( -8.857 -5.615 2.637) 10.814 17.255 ( 7.462 -1.062 -10.615) 13.019 17.255 ( 7.462 -1.062 10.615) 13.019 17.817 ( -4.927 9.653 -0.353) 10.843 17.817 ( -4.927 9.653 0.353) 10.843 18.375 ( -14.316 -0.419 -17.598) 22.690 18.375 ( -14.316 -0.419 17.598) 22.690 19.223 ( 16.077 -0.867 -23.805) 28.738 19.223 ( 16.077 -0.867 23.805) 28.738 20.035 ( 6.503 3.900 -11.483) 13.760 20.035 ( 6.503 3.900 11.483) 13.760 20.535 ( -10.365 -3.996 -12.376) 16.630 20.535 ( -10.365 -3.996 12.376) 16.630 21.391 ( -22.252 -3.377 -12.210) 25.605 21.391 ( -22.252 -3.377 12.210) 25.605 23.134 ( -0.895 8.958 -17.941) 20.073 23.134 ( -0.895 8.958 17.941) 20.073 24.039 ( -3.045 1.256 -18.565) 18.855 24.039 ( -3.045 1.256 18.565) 18.855 24.169 ( -2.917 -1.426 -7.781) 8.431 24.169 ( -2.917 -1.426 7.781) 8.431 24.736 ( 1.589 -5.638 -5.491) 8.029 24.736 ( 1.589 -5.638 5.491) 8.029 25.143 ( -4.944 -2.223 -9.847) 11.240 25.143 ( -4.944 -2.223 9.847) 11.240 27.093 ( 14.195 -13.466 -29.963) 35.786 27.093 ( 14.195 -13.466 29.963) 35.786 28.785 ( 1.733 2.885 -9.517) 10.094 28.785 ( 1.733 2.885 9.517) 10.094 29.174 ( -3.607 3.160 -15.120) 15.862 29.174 ( -3.607 3.160 15.120) 15.862 29.729 ( 8.957 -2.302 -5.581) 10.802 29.729 ( 8.957 -2.302 5.581) 10.802 30.280 ( -11.903 -0.442 -1.993) 12.077 30.280 ( -11.903 -0.442 1.993) 12.077 31.117 ( 2.874 -0.232 -10.738) 11.118 31.117 ( 2.874 -0.232 10.738) 11.118 33.576 ( 3.956 -0.207 -3.419) 5.233 33.576 ( 3.956 -0.207 3.419) 5.233 34.345 ( 0.311 0.505 -1.686) 1.787 34.345 ( 0.311 0.505 1.686) 1.787 35.596 ( 7.151 2.748 -4.556) 8.913 35.596 ( 7.151 2.748 4.556) 8.913 35.870 ( 24.002 6.232 -5.417) 25.382 35.870 ( 24.002 6.232 5.417) 25.382 37.314 ( -42.983 2.174 -6.703) 43.557 37.314 ( -42.983 2.174 6.703) 43.557 41.109 ( 9.673 -2.865 -3.235) 10.594 41.109 ( 9.673 -2.865 3.235) 10.594 ======================= Grid point 220 (69/75) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -0.000 10.086 -12.990) 16.446 1.059 ( -0.000 10.086 12.990) 16.446 1.124 ( -0.000 12.163 -16.023) 20.117 1.124 ( -0.000 12.163 16.023) 20.117 1.451 ( -0.000 2.141 -2.084) 2.988 1.451 ( -0.000 2.141 2.084) 2.988 1.649 ( -0.000 3.682 -1.472) 3.966 1.649 ( -0.000 3.682 1.472) 3.966 1.905 ( -0.000 8.287 -12.246) 14.787 1.905 ( -0.000 8.287 12.246) 14.787 2.068 ( -0.000 3.071 -2.357) 3.872 2.068 ( -0.000 3.071 2.357) 3.872 2.118 ( -0.000 0.721 -6.936) 6.973 2.118 ( -0.000 0.721 6.936) 6.973 2.191 ( 0.000 -2.851 -2.491) 3.786 2.191 ( 0.000 -2.851 2.491) 3.786 2.374 ( 0.000 -2.109 -0.486) 2.164 2.374 ( 0.000 -2.109 0.486) 2.164 2.603 ( 0.000 -2.663 -3.757) 4.605 2.603 ( 0.000 -2.663 3.757) 4.605 2.610 ( 0.000 -0.643 -3.847) 3.900 2.610 ( 0.000 -0.643 3.847) 3.900 2.682 ( -0.000 0.220 -2.981) 2.989 2.682 ( -0.000 0.220 2.981) 2.989 3.851 ( 0.000 -5.842 -15.877) 16.918 3.851 ( 0.000 -5.842 15.877) 16.918 4.592 ( 0.000 -0.252 -0.690) 0.735 4.592 ( 0.000 -0.252 0.690) 0.735 5.316 ( 0.000 -1.653 -1.791) 2.437 5.316 ( 0.000 -1.653 1.791) 2.437 5.423 ( 0.000 -0.904 -5.809) 5.879 5.423 ( 0.000 -0.904 5.809) 5.879 5.706 ( 0.000 -0.136 -1.363) 1.370 5.706 ( 0.000 -0.136 1.363) 1.370 5.862 ( 0.000 -1.161 -2.798) 3.029 5.862 ( 0.000 -1.161 2.798) 3.029 6.962 ( -0.000 0.228 -1.522) 1.539 6.962 ( -0.000 0.228 1.522) 1.539 7.641 ( -0.000 0.134 -12.249) 12.250 7.641 ( -0.000 0.134 12.249) 12.250 11.341 ( 0.000 -5.339 -1.904) 5.668 11.341 ( 0.000 -5.339 1.904) 5.668 12.058 ( -0.000 3.534 -8.326) 9.045 12.058 ( -0.000 3.534 8.326) 9.045 12.146 ( -0.000 0.214 -4.534) 4.539 12.146 ( -0.000 0.214 4.534) 4.539 12.946 ( 0.000 -9.977 -8.992) 13.431 12.946 ( 0.000 -9.977 8.992) 13.431 13.229 ( 0.000 -22.858 -13.677) 26.637 13.229 ( 0.000 -22.858 13.677) 26.637 14.888 ( 0.000 -2.884 -12.984) 13.301 14.888 ( 0.000 -2.884 12.984) 13.301 15.867 ( 0.000 -6.513 -2.292) 6.905 15.867 ( 0.000 -6.513 2.292) 6.905 17.346 ( 0.000 -2.244 -5.895) 6.308 17.346 ( 0.000 -2.244 5.895) 6.308 17.686 ( -0.000 10.765 -0.468) 10.775 17.686 ( -0.000 10.765 0.468) 10.775 18.225 ( 0.000 -0.016 -18.326) 18.326 18.225 ( 0.000 -0.016 18.326) 18.326 19.442 ( 0.000 -8.022 -28.253) 29.369 19.442 ( 0.000 -8.022 28.253) 29.369 20.145 ( -0.000 3.050 -14.692) 15.005 20.145 ( -0.000 3.050 14.692) 15.005 20.389 ( 0.000 -2.936 -9.841) 10.269 20.389 ( 0.000 -2.936 9.841) 10.269 21.166 ( 0.000 -2.037 -14.198) 14.344 21.166 ( 0.000 -2.037 14.198) 14.344 23.037 ( -0.000 13.557 -19.975) 24.141 23.037 ( -0.000 13.557 19.975) 24.141 23.976 ( -0.000 0.195 -15.032) 15.033 23.976 ( -0.000 0.195 15.032) 15.033 24.153 ( -0.000 4.116 -12.386) 13.052 24.153 ( -0.000 4.116 12.386) 13.052 24.739 ( 0.000 -0.300 -3.892) 3.903 24.739 ( 0.000 -0.300 3.892) 3.903 25.173 ( 0.000 -7.613 -15.390) 17.170 25.173 ( 0.000 -7.613 15.390) 17.170 27.375 ( 0.000 -21.435 -30.017) 36.885 27.375 ( 0.000 -21.435 30.017) 36.885 28.783 ( 0.000 -2.405 -1.622) 2.901 28.783 ( 0.000 -2.405 1.622) 2.901 29.142 ( -0.000 5.292 -24.675) 25.236 29.142 ( -0.000 5.292 24.675) 25.236 29.886 ( 0.000 -4.415 -8.135) 9.256 29.886 ( 0.000 -4.415 8.135) 9.256 30.103 ( -0.000 2.330 -1.798) 2.943 30.103 ( -0.000 2.330 1.798) 2.943 31.148 ( -0.000 0.261 -10.866) 10.869 31.148 ( -0.000 0.261 10.866) 10.869 33.615 ( -0.000 0.100 -4.178) 4.179 33.615 ( -0.000 0.100 4.178) 4.179 34.352 ( 0.000 -0.576 -1.335) 1.454 34.352 ( 0.000 -0.576 1.335) 1.454 35.627 ( -0.000 1.967 -3.194) 3.751 35.627 ( -0.000 1.967 3.194) 3.751 36.244 ( -0.000 16.910 -15.746) 23.106 36.244 ( -0.000 16.910 15.746) 23.106 36.661 ( -0.000 0.077 -0.792) 0.796 36.661 ( -0.000 0.077 0.792) 0.796 41.236 ( 0.000 -4.596 -3.178) 5.588 41.236 ( 0.000 -4.596 3.178) 5.588 ======================= Grid point 230 (70/75) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -1.918 0.000 -3.242) 3.767 1.420 ( -1.918 0.000 3.242) 3.767 1.485 ( 1.165 -0.000 -3.533) 3.720 1.485 ( 1.165 -0.000 3.533) 3.720 1.811 ( -5.350 0.000 -1.539) 5.567 1.811 ( -5.350 0.000 1.539) 5.567 1.962 ( -5.643 0.000 -0.952) 5.723 1.962 ( -5.643 0.000 0.952) 5.723 2.012 ( -6.087 0.000 -1.382) 6.242 2.012 ( -6.087 0.000 1.382) 6.242 2.104 ( 1.854 -0.000 -2.685) 3.263 2.104 ( 1.854 -0.000 2.685) 3.263 2.166 ( -0.416 0.000 -0.542) 0.684 2.166 ( -0.416 0.000 0.542) 0.684 2.293 ( 3.000 -0.000 -2.203) 3.722 2.293 ( 3.000 -0.000 2.203) 3.722 2.365 ( 2.990 -0.000 -1.838) 3.510 2.365 ( 2.990 -0.000 1.838) 3.510 2.507 ( 1.223 -0.000 -2.014) 2.357 2.507 ( 1.223 -0.000 2.014) 2.357 2.598 ( -0.156 0.000 -1.340) 1.349 2.598 ( -0.156 0.000 1.340) 1.349 2.819 ( -3.654 0.000 -2.521) 4.439 2.819 ( -3.654 0.000 2.521) 4.439 3.795 ( -1.986 0.000 -8.960) 9.178 3.795 ( -1.986 0.000 8.960) 9.178 5.084 ( -10.816 0.000 -1.001) 10.862 5.084 ( -10.816 0.000 1.001) 10.862 5.252 ( -0.411 0.000 -1.400) 1.459 5.252 ( -0.411 0.000 1.400) 1.459 5.523 ( 1.474 -0.000 -5.092) 5.301 5.523 ( 1.474 -0.000 5.092) 5.301 5.681 ( -4.503 0.000 -0.486) 4.529 5.681 ( -4.503 0.000 0.486) 4.529 5.784 ( -3.428 0.000 -0.418) 3.454 5.784 ( -3.428 0.000 0.418) 3.454 6.592 ( 12.812 -0.000 -3.731) 13.344 6.592 ( 12.812 -0.000 3.731) 13.344 7.569 ( 1.938 -0.000 -4.320) 4.735 7.569 ( 1.938 -0.000 4.320) 4.735 11.243 ( -2.094 0.000 -4.219) 4.710 11.243 ( -2.094 0.000 4.219) 4.710 11.785 ( -0.256 0.000 -0.449) 0.517 11.785 ( -0.256 0.000 0.449) 0.517 12.080 ( 11.425 -0.000 -0.191) 11.426 12.080 ( 11.425 -0.000 0.191) 11.426 13.693 ( -21.447 0.000 -7.909) 22.859 13.693 ( -21.447 0.000 7.909) 22.859 14.128 ( -30.831 0.000 -5.898) 31.390 14.128 ( -30.831 0.000 5.898) 31.390 15.340 ( -12.832 0.000 -1.920) 12.974 15.340 ( -12.832 0.000 1.920) 12.974 16.254 ( -12.861 0.000 -8.517) 15.425 16.254 ( -12.861 0.000 8.517) 15.425 16.825 ( 12.294 -0.000 -21.660) 24.906 16.825 ( 12.294 -0.000 21.660) 24.906 18.187 ( -3.449 0.000 -0.807) 3.542 18.187 ( -3.449 0.000 0.807) 3.542 18.601 ( 18.008 -0.000 -16.402) 24.358 18.601 ( 18.008 -0.000 16.402) 24.358 18.923 ( -12.629 0.000 -8.402) 15.169 18.923 ( -12.629 0.000 8.402) 15.169 20.207 ( -3.613 0.000 -11.101) 11.674 20.207 ( -3.613 0.000 11.101) 11.674 20.674 ( -4.668 0.000 -9.272) 10.380 20.674 ( -4.668 0.000 9.272) 10.380 22.264 ( -13.486 0.000 -16.412) 21.242 22.264 ( -13.486 0.000 16.412) 21.242 23.117 ( 7.489 -0.000 -20.153) 21.500 23.117 ( 7.489 -0.000 20.153) 21.500 23.729 ( -3.179 0.000 -4.013) 5.120 23.729 ( -3.179 0.000 4.013) 5.120 24.379 ( 1.040 -0.000 -21.202) 21.227 24.379 ( 1.040 -0.000 21.202) 21.227 24.966 ( -24.582 0.000 -8.641) 26.057 24.966 ( -24.582 0.000 8.641) 26.057 25.658 ( -13.899 0.000 -5.175) 14.831 25.658 ( -13.899 0.000 5.175) 14.831 26.218 ( 17.953 -0.000 -14.667) 23.182 26.218 ( 17.953 -0.000 14.667) 23.182 28.535 ( 15.162 -0.000 -13.671) 20.416 28.535 ( 15.162 -0.000 13.671) 20.416 29.347 ( 4.550 -0.000 -0.271) 4.558 29.347 ( 4.550 -0.000 0.271) 4.558 29.751 ( -15.065 0.000 -5.912) 16.184 29.751 ( -15.065 0.000 5.912) 16.184 30.765 ( -10.556 0.000 -2.888) 10.944 30.765 ( -10.556 0.000 2.888) 10.944 30.855 ( 8.343 -0.000 -7.136) 10.979 30.855 ( 8.343 -0.000 7.136) 10.979 33.355 ( 4.834 -0.000 -0.996) 4.936 33.355 ( 4.834 -0.000 0.996) 4.936 34.414 ( -3.363 0.000 -1.413) 3.648 34.414 ( -3.363 0.000 1.413) 3.648 34.967 ( 17.380 -0.000 -3.658) 17.761 34.967 ( 17.380 -0.000 3.658) 17.761 35.651 ( 1.672 -0.000 -0.837) 1.870 35.651 ( 1.672 -0.000 0.837) 1.870 38.842 ( -36.965 0.000 -2.548) 37.053 38.842 ( -36.965 0.000 2.548) 37.053 40.489 ( 21.653 -0.000 -1.954) 21.741 40.489 ( 21.653 -0.000 1.954) 21.741 ======================= Grid point 234 (71/75) ======================= q-point: (-0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -2.941 1.225 -2.981) 4.363 1.371 ( -2.941 1.225 2.981) 4.363 1.500 ( 0.562 0.310 -3.454) 3.513 1.500 ( 0.562 0.310 3.454) 3.513 1.708 ( -3.903 7.859 -0.876) 8.819 1.708 ( -3.903 7.859 0.876) 8.819 1.811 ( -8.279 1.317 -2.786) 8.834 1.811 ( -8.279 1.317 2.786) 8.834 1.936 ( -4.160 -6.924 -4.052) 9.037 1.936 ( -4.160 -6.924 4.052) 9.037 2.134 ( 1.429 1.543 -1.268) 2.456 2.134 ( 1.429 1.543 1.268) 2.456 2.179 ( 1.531 -1.263 -0.514) 2.050 2.179 ( 1.531 -1.263 0.514) 2.050 2.347 ( 1.309 0.262 -1.353) 1.901 2.347 ( 1.309 0.262 1.353) 1.901 2.390 ( -0.109 0.278 -4.798) 4.808 2.390 ( -0.109 0.278 4.798) 4.808 2.490 ( -2.501 2.157 -1.270) 3.538 2.490 ( -2.501 2.157 1.270) 3.538 2.588 ( -0.228 -0.495 -1.316) 1.424 2.588 ( -0.228 -0.495 1.316) 1.424 2.732 ( -3.952 1.097 -1.935) 4.535 2.732 ( -3.952 1.097 1.935) 4.535 3.765 ( -1.740 -1.420 -12.679) 12.877 3.765 ( -1.740 -1.420 12.679) 12.877 4.859 ( -12.290 -0.180 -0.121) 12.292 4.859 ( -12.290 -0.180 0.121) 12.292 5.261 ( 0.897 -0.261 -2.520) 2.688 5.261 ( 0.897 -0.261 2.520) 2.688 5.451 ( -5.597 -0.654 -0.898) 5.706 5.451 ( -5.597 -0.654 0.898) 5.706 5.700 ( 2.626 -0.370 -3.166) 4.130 5.700 ( 2.626 -0.370 3.166) 4.130 5.763 ( 0.544 -0.510 -1.831) 1.977 5.763 ( 0.544 -0.510 1.831) 1.977 6.798 ( 9.183 0.110 -2.883) 9.625 6.798 ( 9.183 0.110 2.883) 9.625 7.606 ( 2.085 0.393 -7.548) 7.841 7.606 ( 2.085 0.393 7.548) 7.841 11.218 ( -1.085 -1.448 -4.504) 4.853 11.218 ( -1.085 -1.448 4.504) 4.853 11.809 ( 3.605 0.967 -2.890) 4.720 11.809 ( 3.605 0.967 2.890) 4.720 12.306 ( 11.119 -2.017 -1.513) 11.402 12.306 ( 11.119 -2.017 1.513) 11.402 13.227 ( -26.443 3.078 -3.729) 26.882 13.227 ( -26.443 3.078 3.729) 26.882 13.503 ( -34.840 -5.448 -2.925) 35.384 13.503 ( -34.840 -5.448 2.925) 35.384 15.109 ( -12.237 -1.237 -9.466) 15.520 15.109 ( -12.237 -1.237 9.466) 15.520 16.022 ( -12.569 -1.759 -4.822) 13.577 16.022 ( -12.569 -1.759 4.822) 13.577 17.058 ( 11.917 -0.412 -18.628) 22.117 17.058 ( 11.917 -0.412 18.628) 22.117 18.084 ( -6.003 2.854 -0.441) 6.661 18.084 ( -6.003 2.854 0.441) 6.661 18.654 ( -15.892 -0.573 -13.101) 20.604 18.654 ( -15.892 -0.573 13.101) 20.604 18.935 ( 17.564 0.911 -18.958) 25.860 18.935 ( 17.564 0.911 18.958) 25.860 20.111 ( -2.857 4.205 -14.085) 14.974 20.111 ( -2.857 4.205 14.085) 14.974 20.595 ( -6.116 -3.264 -10.857) 12.882 20.595 ( -6.116 -3.264 10.857) 12.882 21.842 ( -27.390 1.245 -15.091) 31.297 21.842 ( -27.390 1.245 15.091) 31.297 23.231 ( 2.281 -0.049 -22.662) 22.776 23.231 ( 2.281 -0.049 22.662) 22.776 23.834 ( 10.942 -4.874 -7.226) 13.989 23.834 ( 10.942 -4.874 7.226) 13.989 24.338 ( -9.207 0.907 -23.942) 25.668 24.338 ( -9.207 0.907 23.942) 25.668 24.624 ( -6.777 -0.476 -2.847) 7.366 24.624 ( -6.777 -0.476 2.847) 7.366 25.367 ( -15.258 0.821 -7.728) 17.123 25.367 ( -15.258 0.821 7.728) 17.123 26.593 ( 19.814 -2.844 -22.734) 30.291 26.593 ( 19.814 -2.844 22.734) 30.291 28.778 ( 10.666 2.695 -17.685) 20.827 28.778 ( 10.666 2.695 17.685) 20.827 29.362 ( -10.095 -0.305 -2.330) 10.365 29.362 ( -10.095 -0.305 2.330) 10.365 29.553 ( 1.810 -0.829 -3.794) 4.285 29.553 ( 1.810 -0.829 3.794) 4.285 30.519 ( -12.876 1.441 -2.214) 13.144 30.519 ( -12.876 1.441 2.214) 13.144 31.014 ( 6.350 -1.302 -9.715) 11.679 31.014 ( 6.350 -1.302 9.715) 11.679 33.467 ( 6.376 -0.285 -1.967) 6.678 33.467 ( 6.376 -0.285 1.967) 6.678 34.369 ( -1.335 0.365 -1.208) 1.837 34.369 ( -1.335 0.365 1.208) 1.837 35.342 ( 22.435 0.992 -4.291) 22.863 35.342 ( 22.435 0.992 4.291) 22.863 35.695 ( 3.888 0.345 -0.671) 3.960 35.695 ( 3.888 0.345 0.671) 3.960 38.116 ( -40.717 0.096 -4.064) 40.920 38.116 ( -40.717 0.096 4.064) 40.920 40.838 ( 15.677 -0.397 -1.841) 15.789 40.838 ( 15.677 -0.397 1.841) 15.789 ======================= Grid point 236 (72/75) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -3.111 4.180 -3.660) 6.367 1.291 ( -3.111 4.180 3.660) 6.367 1.494 ( -1.326 3.815 -3.779) 5.532 1.494 ( -1.326 3.815 3.779) 5.532 1.511 ( -6.321 9.135 -7.218) 13.248 1.511 ( -6.321 9.135 7.218) 13.248 1.706 ( -2.485 0.404 -8.174) 8.553 1.706 ( -2.485 0.404 8.174) 8.553 1.963 ( 0.682 -6.927 -3.294) 7.700 1.963 ( 0.682 -6.927 3.294) 7.700 2.138 ( 1.046 2.869 -0.760) 3.147 2.138 ( 1.046 2.869 0.760) 3.147 2.204 ( -1.443 3.398 -1.523) 3.993 2.204 ( -1.443 3.398 1.523) 3.993 2.262 ( -5.097 2.411 -3.502) 6.638 2.262 ( -5.097 2.411 3.502) 6.638 2.361 ( -1.490 2.412 -3.188) 4.266 2.361 ( -1.490 2.412 3.188) 4.266 2.488 ( 2.974 -1.650 -4.157) 5.371 2.488 ( 2.974 -1.650 4.157) 5.371 2.596 ( -0.424 -1.631 -2.460) 2.982 2.596 ( -0.424 -1.631 2.460) 2.982 2.681 ( -1.406 -0.501 -0.807) 1.697 2.681 ( -1.406 -0.501 0.807) 1.697 3.755 ( -0.969 -2.691 -14.691) 14.966 3.755 ( -0.969 -2.691 14.691) 14.966 4.665 ( -7.999 -0.313 -0.674) 8.034 4.665 ( -7.999 -0.313 0.674) 8.034 5.280 ( 0.367 -0.877 -2.985) 3.133 5.280 ( 0.367 -0.877 2.985) 3.133 5.388 ( -1.890 -1.669 -3.024) 3.938 5.388 ( -1.890 -1.669 3.024) 3.938 5.713 ( -0.734 -0.413 -1.791) 1.979 5.713 ( -0.734 -0.413 1.791) 1.979 5.811 ( 2.623 -0.808 -3.482) 4.434 5.811 ( 2.623 -0.808 3.482) 4.434 6.926 ( 4.542 0.165 -1.677) 4.845 6.926 ( 4.542 0.165 1.677) 4.845 7.636 ( 1.395 0.483 -10.557) 10.660 7.636 ( 1.395 0.483 10.557) 10.660 11.227 ( -0.031 -3.163 -4.113) 5.189 11.227 ( -0.031 -3.163 4.113) 5.189 11.913 ( 9.091 1.644 -4.080) 10.100 11.913 ( 9.091 1.644 4.080) 10.100 12.450 ( -4.286 -0.583 -5.428) 6.940 12.450 ( -4.286 -0.583 5.428) 6.940 12.748 ( -14.888 -2.252 -5.602) 16.065 12.748 ( -14.888 -2.252 5.602) 16.065 13.048 ( -19.349 -9.120 -6.928) 22.484 13.048 ( -19.349 -9.120 6.928) 22.484 14.916 ( -9.439 -2.596 -12.631) 15.981 14.916 ( -9.439 -2.596 12.631) 15.981 15.836 ( -8.616 -3.082 -2.310) 9.438 15.836 ( -8.616 -3.082 2.310) 9.438 17.257 ( 8.923 0.715 -15.404) 17.816 17.257 ( 8.923 0.715 15.404) 17.816 17.942 ( -4.945 5.541 -0.804) 7.470 17.942 ( -4.945 5.541 0.804) 7.470 18.372 ( -13.285 0.002 -17.660) 22.099 18.372 ( -13.285 0.002 17.660) 22.099 19.223 ( 13.203 0.411 -22.144) 25.784 19.223 ( 13.203 0.411 22.144) 25.784 20.089 ( 4.279 2.635 -15.253) 16.060 20.089 ( 4.279 2.635 15.253) 16.060 20.477 ( -9.636 -2.861 -13.390) 16.743 20.477 ( -9.636 -2.861 13.390) 16.743 21.349 ( -22.741 -1.859 -13.739) 26.634 21.349 ( -22.741 -1.859 13.739) 26.634 23.233 ( 0.520 3.884 -19.820) 20.204 23.233 ( 0.520 3.884 19.820) 20.204 24.047 ( 1.141 -0.884 -17.233) 17.294 24.047 ( 1.141 -0.884 17.233) 17.294 24.126 ( -3.788 -2.429 -11.686) 12.522 24.126 ( -3.788 -2.429 11.686) 12.522 24.670 ( 5.191 -2.396 -4.370) 7.196 24.670 ( 5.191 -2.396 4.370) 7.196 25.122 ( -9.817 -0.588 -9.847) 13.917 25.122 ( -9.817 -0.588 9.847) 13.917 26.960 ( 15.030 -4.421 -29.963) 33.812 26.960 ( 15.030 -4.421 29.963) 33.812 28.818 ( -4.669 1.422 -7.079) 8.598 28.818 ( -4.669 1.422 7.079) 8.598 29.206 ( -1.418 1.122 -14.640) 14.751 29.206 ( -1.418 1.122 14.640) 14.751 29.691 ( 7.931 -2.129 -3.773) 9.037 29.691 ( 7.931 -2.129 3.773) 9.037 30.283 ( -11.309 0.508 -1.965) 11.490 30.283 ( -11.309 0.508 1.965) 11.490 31.111 ( 3.523 -0.337 -11.307) 11.848 31.111 ( 3.523 -0.337 11.307) 11.848 33.573 ( 4.305 -0.145 -3.649) 5.645 33.573 ( 4.305 -0.145 3.649) 5.645 34.355 ( 0.046 0.536 -1.137) 1.257 34.355 ( 0.046 0.536 1.137) 1.257 35.627 ( 5.288 1.218 -2.398) 5.933 35.627 ( 5.288 1.218 2.398) 5.933 35.941 ( 27.417 2.795 -5.906) 28.184 35.941 ( 27.417 2.795 5.906) 28.184 37.340 ( -41.744 0.991 -5.604) 42.131 37.340 ( -41.744 0.991 5.604) 42.131 41.074 ( 8.698 -1.513 -2.349) 9.136 41.074 ( 8.698 -1.513 2.349) 9.136 ======================= Grid point 238 (73/75) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -0.000 7.713 -6.929) 10.368 1.209 ( -0.000 7.713 6.929) 10.368 1.327 ( -0.000 12.645 -11.746) 17.259 1.327 ( -0.000 12.645 11.746) 17.259 1.479 ( -0.000 1.820 -3.020) 3.526 1.479 ( -0.000 1.820 3.020) 3.526 1.684 ( -0.000 0.943 -6.724) 6.790 1.684 ( -0.000 0.943 6.724) 6.790 2.051 ( 0.000 -7.202 -5.604) 9.125 2.051 ( 0.000 -7.202 5.604) 9.125 2.064 ( -0.000 10.230 -7.659) 12.779 2.064 ( -0.000 10.230 7.659) 12.779 2.124 ( -0.000 3.730 -0.527) 3.767 2.124 ( -0.000 3.730 0.527) 3.767 2.213 ( -0.000 3.645 -3.755) 5.233 2.213 ( -0.000 3.645 3.755) 5.233 2.346 ( 0.000 -1.159 -1.576) 1.956 2.346 ( 0.000 -1.159 1.576) 1.956 2.554 ( 0.000 -3.242 -4.316) 5.398 2.554 ( 0.000 -3.242 4.316) 5.398 2.592 ( 0.000 -1.325 -3.963) 4.178 2.592 ( 0.000 -1.325 3.963) 4.178 2.678 ( 0.000 -0.982 -2.282) 2.484 2.678 ( 0.000 -0.982 2.282) 2.484 3.773 ( 0.000 -3.890 -15.662) 16.138 3.773 ( 0.000 -3.890 15.662) 16.138 4.589 ( 0.000 -0.221 -0.862) 0.890 4.589 ( 0.000 -0.221 0.862) 0.890 5.290 ( 0.000 -1.447 -2.385) 2.789 5.290 ( 0.000 -1.447 2.385) 2.789 5.395 ( 0.000 -2.356 -4.942) 5.475 5.395 ( 0.000 -2.356 4.942) 5.475 5.704 ( 0.000 -0.118 -1.311) 1.317 5.704 ( 0.000 -0.118 1.311) 1.317 5.844 ( 0.000 -1.002 -3.404) 3.549 5.844 ( 0.000 -1.002 3.404) 3.549 6.966 ( -0.000 0.210 -1.299) 1.316 6.966 ( -0.000 0.210 1.299) 1.316 7.646 ( -0.000 0.444 -12.056) 12.065 7.646 ( -0.000 0.444 12.056) 12.065 11.260 ( 0.000 -4.553 -3.492) 5.738 11.260 ( 0.000 -4.553 3.492) 5.738 12.124 ( -0.000 4.627 -5.670) 7.318 12.124 ( -0.000 4.627 5.670) 7.318 12.150 ( -0.000 0.235 -5.435) 5.440 12.150 ( -0.000 0.235 5.435) 5.440 12.779 ( 0.000 -10.253 -7.464) 12.682 12.779 ( 0.000 -10.253 7.464) 12.682 12.942 ( 0.000 -12.939 -10.305) 16.541 12.942 ( 0.000 -12.939 10.305) 16.541 14.840 ( 0.000 -2.881 -13.312) 13.620 14.840 ( 0.000 -2.881 13.312) 13.620 15.780 ( 0.000 -4.223 -1.626) 4.525 15.780 ( 0.000 -4.223 1.626) 4.525 17.342 ( -0.000 1.127 -12.918) 12.967 17.342 ( -0.000 1.127 12.918) 12.967 17.839 ( -0.000 7.766 -0.697) 7.798 17.839 ( -0.000 7.766 0.697) 7.798 18.229 ( -0.000 0.544 -19.558) 19.566 18.229 ( -0.000 0.544 19.558) 19.566 19.369 ( 0.000 -2.091 -25.032) 25.119 19.369 ( 0.000 -2.091 25.032) 25.119 20.193 ( -0.000 2.785 -13.865) 14.142 20.193 ( -0.000 2.785 13.865) 14.142 20.327 ( 0.000 -4.152 -15.009) 15.573 20.327 ( 0.000 -4.152 15.009) 15.573 21.133 ( 0.000 -1.982 -13.575) 13.719 21.133 ( 0.000 -1.982 13.575) 13.719 23.196 ( -0.000 6.855 -18.762) 19.975 23.196 ( -0.000 6.855 18.762) 19.975 23.979 ( -0.000 0.183 -15.464) 15.465 23.979 ( -0.000 0.183 15.464) 15.465 24.180 ( 0.000 -0.834 -15.378) 15.401 24.180 ( 0.000 -0.834 15.378) 15.401 24.735 ( 0.000 -0.277 -3.568) 3.578 24.735 ( 0.000 -0.277 3.568) 3.578 25.059 ( 0.000 -5.752 -15.175) 16.229 25.059 ( 0.000 -5.752 15.175) 16.229 27.158 ( 0.000 -7.310 -33.641) 34.426 27.158 ( 0.000 -7.310 33.641) 34.426 28.747 ( 0.000 -2.011 -1.591) 2.565 28.747 ( 0.000 -2.011 1.591) 2.565 29.203 ( -0.000 2.812 -23.455) 23.623 29.203 ( -0.000 2.812 23.455) 23.623 29.815 ( 0.000 -4.070 -5.473) 6.820 29.815 ( 0.000 -4.070 5.473) 6.820 30.138 ( -0.000 1.945 -1.755) 2.620 30.138 ( -0.000 1.945 1.755) 2.620 31.147 ( 0.000 -0.161 -11.634) 11.635 31.147 ( 0.000 -0.161 11.634) 11.635 33.615 ( -0.000 0.010 -4.555) 4.555 33.615 ( -0.000 0.010 4.555) 4.555 34.354 ( -0.000 0.443 -1.354) 1.425 34.354 ( -0.000 0.443 1.354) 1.425 35.653 ( -0.000 1.321 -2.533) 2.857 35.653 ( -0.000 1.321 2.533) 2.857 36.443 ( -0.000 8.352 -15.299) 17.430 36.443 ( -0.000 8.352 15.299) 17.430 36.662 ( -0.000 0.067 -0.677) 0.681 36.662 ( -0.000 0.067 0.677) 0.681 41.176 ( 0.000 -2.890 -2.994) 4.161 41.176 ( 0.000 -2.890 2.994) 4.161 ======================= Grid point 252 (74/75) ======================= q-point: (-0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -2.556 0.000 -1.642) 3.038 1.323 ( -2.556 0.000 1.642) 3.038 1.510 ( 0.314 -0.000 -3.071) 3.087 1.510 ( 0.314 -0.000 3.071) 3.087 1.628 ( -9.401 0.000 -1.480) 9.517 1.628 ( -9.401 0.000 1.480) 9.517 1.709 ( -1.928 0.000 -10.194) 10.375 1.709 ( -1.928 0.000 10.194) 10.375 1.879 ( 1.951 -0.000 -1.680) 2.575 1.879 ( 1.951 -0.000 1.680) 2.575 2.168 ( 0.798 -0.000 -0.263) 0.840 2.168 ( 0.798 -0.000 0.263) 0.840 2.218 ( 3.208 -0.000 -0.837) 3.315 2.218 ( 3.208 -0.000 0.837) 3.315 2.286 ( -5.917 0.000 -0.426) 5.933 2.286 ( -5.917 0.000 0.426) 5.933 2.394 ( -2.163 0.000 -2.883) 3.604 2.394 ( -2.163 0.000 2.883) 3.604 2.474 ( 1.355 -0.000 -3.691) 3.932 2.474 ( 1.355 -0.000 3.691) 3.932 2.580 ( -0.314 0.000 -2.227) 2.249 2.580 ( -0.314 0.000 2.227) 2.249 2.674 ( -2.384 0.000 -0.174) 2.390 2.674 ( -2.384 0.000 0.174) 2.390 3.732 ( -1.016 0.000 -14.127) 14.164 3.732 ( -1.016 0.000 14.127) 14.164 4.662 ( -7.913 0.000 -0.715) 7.946 4.662 ( -7.913 0.000 0.715) 7.946 5.273 ( 0.317 -0.000 -3.359) 3.374 5.273 ( 0.317 -0.000 3.359) 3.374 5.373 ( -2.282 0.000 -2.915) 3.702 5.373 ( -2.282 0.000 2.915) 3.702 5.709 ( -0.550 0.000 -1.629) 1.720 5.709 ( -0.550 0.000 1.629) 1.720 5.804 ( 2.701 -0.000 -3.572) 4.478 5.804 ( 2.701 -0.000 3.572) 4.478 6.927 ( 4.534 -0.000 -1.701) 4.842 6.927 ( 4.534 -0.000 1.701) 4.842 7.641 ( 1.353 -0.000 -10.286) 10.375 7.641 ( 1.353 -0.000 10.286) 10.375 11.200 ( -0.218 0.000 -4.424) 4.430 11.200 ( -0.218 0.000 4.424) 4.430 11.927 ( 9.167 -0.000 -3.655) 9.868 11.927 ( 9.167 -0.000 3.655) 9.868 12.445 ( 0.724 -0.000 -4.238) 4.299 12.445 ( 0.724 -0.000 4.238) 4.299 12.739 ( -22.674 0.000 -4.769) 23.170 12.739 ( -22.674 0.000 4.769) 23.170 12.967 ( -17.949 0.000 -5.067) 18.650 12.967 ( -17.949 0.000 5.067) 18.650 14.895 ( -9.294 0.000 -12.635) 15.685 14.895 ( -9.294 0.000 12.635) 15.685 15.812 ( -8.382 0.000 -2.197) 8.665 15.812 ( -8.382 0.000 2.197) 8.665 17.264 ( 9.486 -0.000 -17.215) 19.655 17.264 ( 9.486 -0.000 17.215) 19.655 17.986 ( -5.124 0.000 -1.037) 5.228 17.986 ( -5.124 0.000 1.037) 5.228 18.373 ( -12.738 0.000 -17.513) 21.655 18.373 ( -12.738 0.000 17.513) 21.655 19.227 ( 12.452 -0.000 -21.380) 24.742 19.227 ( 12.452 -0.000 21.380) 24.742 20.111 ( 2.726 -0.000 -17.028) 17.245 20.111 ( 2.726 -0.000 17.028) 17.245 20.453 ( -8.900 0.000 -13.583) 16.239 20.453 ( -8.900 0.000 13.583) 16.239 21.333 ( -23.046 0.000 -14.099) 27.017 21.333 ( -23.046 0.000 14.099) 27.017 23.264 ( 1.059 -0.000 -21.409) 21.435 23.264 ( 1.059 -0.000 21.409) 21.435 24.028 ( 6.951 -0.000 -5.900) 9.117 24.028 ( 6.951 -0.000 5.900) 9.117 24.112 ( -8.383 0.000 -9.076) 12.355 24.112 ( -8.383 0.000 9.076) 12.355 24.654 ( 5.670 -0.000 -2.916) 6.376 24.654 ( 5.670 -0.000 2.916) 6.376 25.118 ( -11.080 0.000 -10.326) 15.146 25.118 ( -11.080 0.000 10.326) 15.146 26.928 ( 15.701 -0.000 -29.649) 33.549 26.928 ( 15.701 -0.000 29.649) 33.549 28.830 ( -7.107 0.000 -6.051) 9.334 28.830 ( -7.107 0.000 6.051) 9.334 29.215 ( -0.328 0.000 -14.421) 14.425 29.215 ( -0.328 0.000 14.421) 14.425 29.672 ( 7.547 -0.000 -2.765) 8.037 29.672 ( 7.547 -0.000 2.765) 8.037 30.288 ( -11.220 0.000 -1.987) 11.395 30.288 ( -11.220 0.000 1.987) 11.395 31.108 ( 3.805 -0.000 -11.497) 12.110 31.108 ( 3.805 -0.000 11.497) 12.110 33.572 ( 4.434 -0.000 -3.698) 5.774 33.572 ( 4.434 -0.000 3.698) 5.774 34.359 ( -0.023 0.000 -0.667) 0.667 34.359 ( -0.023 0.000 0.667) 0.667 35.637 ( 4.885 -0.000 -1.440) 5.093 35.637 ( 4.885 -0.000 1.440) 5.093 35.963 ( 28.144 -0.000 -5.859) 28.748 35.963 ( 28.144 -0.000 5.859) 28.748 37.347 ( -41.323 0.000 -5.156) 41.644 37.347 ( -41.323 0.000 5.156) 41.644 41.062 ( 8.400 -0.000 -1.649) 8.560 41.062 ( 8.400 -0.000 1.649) 8.560 ======================= Grid point 256 (75/75) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -0.000 2.246 -1.954) 2.978 1.287 ( -0.000 2.246 1.954) 2.978 1.496 ( -0.000 7.134 -6.252) 9.486 1.496 ( -0.000 7.134 6.252) 9.486 1.508 ( -0.000 1.313 -3.169) 3.430 1.508 ( -0.000 1.313 3.169) 3.430 1.689 ( -0.000 0.039 -10.114) 10.114 1.689 ( -0.000 0.039 10.114) 10.114 1.940 ( 0.000 -5.245 -3.629) 6.378 1.940 ( 0.000 -5.245 3.629) 6.378 2.166 ( -0.000 2.146 -0.407) 2.184 2.166 ( -0.000 2.146 0.407) 2.184 2.191 ( -0.000 3.553 -2.271) 4.217 2.191 ( -0.000 3.553 2.271) 4.217 2.265 ( -0.000 2.163 -2.939) 3.649 2.265 ( -0.000 2.163 2.939) 3.649 2.344 ( -0.000 0.679 -2.052) 2.161 2.344 ( -0.000 0.679 2.052) 2.161 2.510 ( 0.000 -1.869 -4.991) 5.330 2.510 ( 0.000 -1.869 4.991) 5.330 2.576 ( 0.000 -0.574 -3.122) 3.174 2.576 ( 0.000 -0.574 3.122) 3.174 2.656 ( 0.000 -1.234 -1.312) 1.801 2.656 ( 0.000 -1.234 1.312) 1.801 3.729 ( 0.000 -1.505 -14.721) 14.798 3.729 ( 0.000 -1.505 14.722) 14.798 4.586 ( 0.000 -0.087 -0.953) 0.957 4.586 ( 0.000 -0.087 0.953) 0.957 5.275 ( 0.000 -0.401 -3.197) 3.222 5.275 ( 0.000 -0.401 3.197) 3.222 5.361 ( 0.000 -1.378 -3.810) 4.051 5.361 ( 0.000 -1.378 3.810) 4.051 5.702 ( 0.000 -0.046 -1.278) 1.279 5.702 ( 0.000 -0.046 1.278) 1.279 5.833 ( 0.000 -0.378 -3.567) 3.587 5.833 ( 0.000 -0.378 3.567) 3.587 6.968 ( -0.000 0.085 -1.126) 1.129 6.968 ( -0.000 0.085 1.126) 1.129 7.653 ( -0.000 0.285 -11.542) 11.546 7.653 ( -0.000 0.285 11.542) 11.546 11.207 ( 0.000 -1.830 -4.196) 4.578 11.207 ( 0.000 -1.830 4.196) 4.578 12.153 ( -0.000 0.134 -7.873) 7.874 12.153 ( -0.000 0.134 7.873) 7.874 12.190 ( -0.000 2.879 -3.309) 4.386 12.190 ( -0.000 2.879 3.309) 4.386 12.648 ( 0.000 -5.092 -6.793) 8.489 12.648 ( 0.000 -5.092 6.793) 8.489 12.811 ( 0.000 -3.909 -5.152) 6.467 12.811 ( 0.000 -3.909 5.152) 6.467 14.805 ( 0.000 -1.211 -13.255) 13.311 14.805 ( 0.000 -1.211 13.255) 13.311 15.735 ( 0.000 -1.379 -1.254) 1.864 15.735 ( 0.000 -1.379 1.254) 1.864 17.362 ( -0.000 0.898 -17.093) 17.117 17.362 ( -0.000 0.898 17.093) 17.117 17.921 ( -0.000 2.579 -1.304) 2.890 17.921 ( -0.000 2.579 1.304) 2.890 18.239 ( -0.000 0.494 -20.039) 20.045 18.239 ( -0.000 0.494 20.039) 20.045 19.354 ( 0.000 -0.239 -22.620) 22.622 19.354 ( 0.000 -0.239 22.620) 22.622 20.226 ( -0.000 1.138 -13.283) 13.331 20.226 ( -0.000 1.138 13.283) 13.331 20.275 ( 0.000 -1.856 -18.120) 18.215 20.275 ( 0.000 -1.856 18.120) 18.215 21.109 ( 0.000 -0.843 -13.069) 13.097 21.109 ( 0.000 -0.843 13.069) 13.097 23.267 ( -0.000 2.174 -20.960) 21.073 23.267 ( -0.000 2.174 20.960) 21.073 23.981 ( -0.000 0.075 -15.748) 15.748 23.981 ( -0.000 0.075 15.748) 15.748 24.150 ( 0.000 -1.720 -14.577) 14.678 24.150 ( 0.000 -1.720 14.577) 14.678 24.731 ( 0.000 -0.113 -3.324) 3.326 24.731 ( 0.000 -0.113 3.324) 3.326 25.003 ( 0.000 -1.512 -14.608) 14.686 25.003 ( 0.000 -1.512 14.608) 14.686 27.097 ( 0.000 -1.401 -33.989) 34.018 27.097 ( 0.000 -1.401 33.989) 34.018 28.724 ( 0.000 -0.771 -1.567) 1.746 28.724 ( 0.000 -0.771 1.567) 1.746 29.234 ( -0.000 1.040 -22.844) 22.867 29.234 ( -0.000 1.040 22.844) 22.867 29.767 ( 0.000 -1.702 -3.629) 4.008 29.767 ( 0.000 -1.702 3.629) 4.008 30.161 ( -0.000 0.745 -1.730) 1.883 30.161 ( -0.000 0.745 1.730) 1.883 31.145 ( 0.000 -0.090 -11.909) 11.910 31.145 ( 0.000 -0.090 11.909) 11.910 33.615 ( 0.000 -0.001 -4.639) 4.639 33.615 ( 0.000 -0.001 4.639) 4.639 34.360 ( -0.000 0.248 -0.670) 0.714 34.360 ( -0.000 0.248 0.670) 0.714 35.667 ( -0.000 0.490 -2.304) 2.356 35.667 ( -0.000 0.490 2.304) 2.356 36.524 ( -0.000 2.361 -13.878) 14.077 36.524 ( -0.000 2.361 13.878) 14.077 36.663 ( -0.000 0.027 -0.590) 0.591 36.663 ( -0.000 0.027 0.590) 0.591 41.145 ( 0.000 -0.959 -1.890) 2.120 41.145 ( 0.000 -0.959 1.890) 2.120 =================== 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 3/33048 10.0 230.831 349.855 179.157 0.000 0.000 -0.000 3/33048 20.0 50.436 42.724 28.928 0.000 0.000 -0.000 3/33048 30.0 30.138 21.401 15.659 0.000 0.000 -0.000 3/33048 40.0 21.425 14.164 10.832 0.000 0.000 -0.000 3/33048 50.0 16.302 10.417 8.188 0.000 0.000 -0.000 3/33048 60.0 13.025 8.161 6.530 0.000 0.000 -0.000 3/33048 70.0 10.797 6.675 5.408 0.000 0.000 -0.000 3/33048 80.0 9.196 5.629 4.605 0.000 0.000 -0.000 3/33048 90.0 7.990 4.854 4.002 0.000 0.000 -0.000 3/33048 100.0 7.049 4.257 3.534 0.000 0.000 -0.000 3/33048 110.0 6.291 3.781 3.159 0.000 0.000 -0.000 3/33048 120.0 5.668 3.395 2.853 0.000 0.000 -0.000 3/33048 130.0 5.147 3.074 2.597 0.000 0.000 -0.000 3/33048 140.0 4.706 2.805 2.382 0.000 0.000 -0.000 3/33048 150.0 4.329 2.575 2.197 0.000 0.000 -0.000 3/33048 160.0 4.002 2.378 2.038 0.000 0.000 -0.000 3/33048 170.0 3.718 2.206 1.899 0.000 0.000 -0.000 3/33048 180.0 3.469 2.057 1.778 0.000 0.000 -0.000 3/33048 190.0 3.249 1.925 1.670 0.000 0.000 -0.000 3/33048 200.0 3.054 1.808 1.575 0.000 0.000 -0.000 3/33048 210.0 2.880 1.704 1.489 0.000 0.000 -0.000 3/33048 220.0 2.725 1.610 1.413 0.000 0.000 -0.000 3/33048 230.0 2.584 1.526 1.343 0.000 0.000 -0.000 3/33048 240.0 2.457 1.451 1.280 0.000 0.000 -0.000 3/33048 250.0 2.341 1.382 1.223 0.000 0.000 -0.000 3/33048 260.0 2.236 1.319 1.171 0.000 0.000 -0.000 3/33048 270.0 2.140 1.261 1.122 0.000 0.000 -0.000 3/33048 280.0 2.051 1.208 1.078 0.000 0.000 -0.000 3/33048 290.0 1.970 1.160 1.037 0.000 0.000 -0.000 3/33048 300.0 1.895 1.115 0.999 0.000 0.000 -0.000 3/33048 310.0 1.825 1.073 0.964 0.000 0.000 -0.000 3/33048 320.0 1.760 1.034 0.931 0.000 0.000 -0.000 3/33048 330.0 1.700 0.998 0.900 0.000 0.000 -0.000 3/33048 340.0 1.644 0.965 0.871 0.000 0.000 -0.000 3/33048 350.0 1.591 0.933 0.844 0.000 0.000 -0.000 3/33048 360.0 1.542 0.904 0.819 0.000 0.000 -0.000 3/33048 370.0 1.495 0.876 0.795 0.000 0.000 -0.000 3/33048 380.0 1.452 0.850 0.773 0.000 0.000 -0.000 3/33048 390.0 1.411 0.825 0.751 0.000 0.000 -0.000 3/33048 400.0 1.372 0.802 0.731 0.000 0.000 -0.000 3/33048 410.0 1.335 0.780 0.712 0.000 0.000 -0.000 3/33048 420.0 1.301 0.760 0.694 0.000 0.000 -0.000 3/33048 430.0 1.268 0.740 0.677 0.000 0.000 -0.000 3/33048 440.0 1.236 0.721 0.661 0.000 0.000 -0.000 3/33048 450.0 1.207 0.704 0.645 0.000 0.000 -0.000 3/33048 460.0 1.178 0.687 0.630 0.000 0.000 -0.000 3/33048 470.0 1.151 0.671 0.616 0.000 0.000 -0.000 3/33048 480.0 1.126 0.655 0.602 0.000 0.000 -0.000 3/33048 490.0 1.101 0.641 0.590 0.000 0.000 -0.000 3/33048 500.0 1.078 0.627 0.577 0.000 0.000 -0.000 3/33048 510.0 1.055 0.613 0.565 0.000 0.000 -0.000 3/33048 520.0 1.033 0.600 0.554 0.000 0.000 -0.000 3/33048 530.0 1.013 0.588 0.543 0.000 0.000 -0.000 3/33048 540.0 0.993 0.576 0.532 0.000 0.000 -0.000 3/33048 550.0 0.974 0.565 0.522 0.000 0.000 -0.000 3/33048 560.0 0.956 0.554 0.512 0.000 0.000 -0.000 3/33048 570.0 0.938 0.544 0.503 0.000 0.000 -0.000 3/33048 580.0 0.921 0.534 0.494 0.000 0.000 -0.000 3/33048 590.0 0.904 0.524 0.485 0.000 0.000 -0.000 3/33048 600.0 0.889 0.514 0.477 0.000 0.000 -0.000 3/33048 610.0 0.873 0.505 0.469 0.000 0.000 -0.000 3/33048 620.0 0.859 0.497 0.461 0.000 0.000 -0.000 3/33048 630.0 0.845 0.488 0.453 0.000 0.000 -0.000 3/33048 640.0 0.831 0.480 0.446 0.000 0.000 -0.000 3/33048 650.0 0.818 0.472 0.439 0.000 0.000 -0.000 3/33048 660.0 0.805 0.465 0.432 0.000 0.000 -0.000 3/33048 670.0 0.792 0.457 0.425 0.000 0.000 -0.000 3/33048 680.0 0.780 0.450 0.419 0.000 0.000 -0.000 3/33048 690.0 0.768 0.443 0.413 0.000 0.000 -0.000 3/33048 700.0 0.757 0.437 0.406 0.000 0.000 -0.000 3/33048 710.0 0.746 0.430 0.401 0.000 0.000 -0.000 3/33048 720.0 0.735 0.424 0.395 0.000 0.000 -0.000 3/33048 730.0 0.725 0.418 0.389 0.000 0.000 -0.000 3/33048 740.0 0.715 0.412 0.384 0.000 0.000 -0.000 3/33048 750.0 0.705 0.406 0.379 0.000 0.000 -0.000 3/33048 760.0 0.696 0.400 0.373 0.000 0.000 -0.000 3/33048 770.0 0.686 0.395 0.368 0.000 0.000 -0.000 3/33048 780.0 0.677 0.390 0.364 0.000 0.000 -0.000 3/33048 790.0 0.668 0.385 0.359 0.000 0.000 -0.000 3/33048 800.0 0.660 0.380 0.354 0.000 0.000 -0.000 3/33048 810.0 0.652 0.375 0.350 0.000 0.000 -0.000 3/33048 820.0 0.643 0.370 0.345 0.000 0.000 -0.000 3/33048 830.0 0.635 0.365 0.341 0.000 0.000 -0.000 3/33048 840.0 0.628 0.361 0.337 0.000 0.000 -0.000 3/33048 850.0 0.620 0.356 0.333 0.000 0.000 -0.000 3/33048 860.0 0.613 0.352 0.329 0.000 0.000 -0.000 3/33048 870.0 0.606 0.348 0.325 0.000 0.000 -0.000 3/33048 880.0 0.599 0.344 0.321 0.000 0.000 -0.000 3/33048 890.0 0.592 0.340 0.318 0.000 0.000 -0.000 3/33048 900.0 0.585 0.336 0.314 0.000 0.000 -0.000 3/33048 910.0 0.578 0.332 0.311 0.000 0.000 -0.000 3/33048 920.0 0.572 0.328 0.307 0.000 0.000 -0.000 3/33048 930.0 0.566 0.325 0.304 0.000 0.000 -0.000 3/33048 940.0 0.560 0.321 0.301 0.000 0.000 -0.000 3/33048 950.0 0.554 0.318 0.297 0.000 0.000 -0.000 3/33048 960.0 0.548 0.314 0.294 0.000 0.000 -0.000 3/33048 970.0 0.542 0.311 0.291 0.000 0.000 -0.000 3/33048 980.0 0.536 0.307 0.288 0.000 0.000 -0.000 3/33048 990.0 0.531 0.304 0.285 0.000 0.000 -0.000 3/33048 1000.0 0.526 0.301 0.282 0.000 0.000 -0.000 3/33048 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:06:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|