----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:01:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.375851940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.790141199999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.586052530000000 Atomic positions (fractional): *1 O 0.44567147508428 0.75000000000000 0.04146433870458 15.999 2 O 0.55432852491572 0.25000000000000 0.95853566129542 15.999 3 O 0.05432852491572 0.25000000000000 0.54146433870458 15.999 4 O 0.94567147508428 0.75000000000000 0.45853566129542 15.999 *5 O 0.20177287814870 0.75000000000000 0.41440447215277 15.999 6 O 0.79822712185130 0.25000000000000 0.58559552784722 15.999 7 O 0.29822712185130 0.25000000000000 0.91440447215278 15.999 *8 O 0.84901560519931 0.25000000000000 0.28264741559831 15.999 9 O 0.34901560519931 0.25000000000000 0.21735258440169 15.999 10 O 0.65098439480069 0.75000000000000 0.78264741559831 15.999 11 O 0.15098439480069 0.75000000000000 0.71735258440169 15.999 12 O 0.70177287814870 0.75000000000000 0.08559552784722 15.999 *13 Ti 0.90396350708805 0.25000000000000 0.45905036516978 47.867 14 Ti 0.59603649291195 0.75000000000000 0.95905036516979 47.867 15 Ti 0.09603649291195 0.75000000000000 0.54094963483021 47.867 16 Ti 0.40396350708805 0.25000000000000 0.04094963483021 47.867 *17 Tl 0.34417929407941 0.75000000000000 0.74455686004573 204.383 18 Tl 0.84417929407941 0.75000000000000 0.75544313995427 204.383 19 Tl 0.15582070592059 0.25000000000000 0.24455686004573 204.383 20 Tl 0.65582070592059 0.25000000000000 0.25544313995427 204.383 *21 Tl 0.40520925896165 0.75000000000000 0.37072073744072 204.383 22 Tl 0.59479074103834 0.25000000000000 0.62927926255928 204.383 23 Tl 0.09479074103835 0.25000000000000 0.87072073744072 204.383 24 Tl 0.90520925896166 0.75000000000000 0.12927926255928 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.375851940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.790141199999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.586052530000000 Atomic positions (fractional): *1 O 0.44567147508428 0.75000000000000 0.04146433870458 15.999 > 1 2 O 0.55432852491572 0.25000000000000 0.95853566129542 15.999 > 2 3 O 0.05432852491572 0.25000000000000 0.54146433870458 15.999 > 3 4 O 0.94567147508428 0.75000000000000 0.45853566129542 15.999 > 4 *5 O 0.20177287814870 0.75000000000000 0.41440447215277 15.999 > 5 6 O 0.79822712185130 0.25000000000000 0.58559552784722 15.999 > 6 7 O 0.29822712185130 0.25000000000000 0.91440447215278 15.999 > 7 *8 O 0.84901560519931 0.25000000000000 0.28264741559831 15.999 > 8 9 O 0.34901560519931 0.25000000000000 0.21735258440169 15.999 > 9 10 O 0.65098439480069 0.75000000000000 0.78264741559831 15.999 > 10 11 O 0.15098439480069 0.75000000000000 0.71735258440169 15.999 > 11 12 O 0.70177287814870 0.75000000000000 0.08559552784722 15.999 > 12 *13 Ti 0.90396350708805 0.25000000000000 0.45905036516978 47.867 > 13 14 Ti 0.59603649291195 0.75000000000000 0.95905036516979 47.867 > 14 15 Ti 0.09603649291195 0.75000000000000 0.54094963483021 47.867 > 15 16 Ti 0.40396350708805 0.25000000000000 0.04094963483021 47.867 > 16 *17 Tl 0.34417929407941 0.75000000000000 0.74455686004573 204.383 > 17 18 Tl 0.84417929407941 0.75000000000000 0.75544313995427 204.383 > 18 19 Tl 0.15582070592059 0.25000000000000 0.24455686004573 204.383 > 19 20 Tl 0.65582070592059 0.25000000000000 0.25544313995427 204.383 > 20 *21 Tl 0.40520925896165 0.75000000000000 0.37072073744072 204.383 > 21 22 Tl 0.59479074103834 0.25000000000000 0.62927926255928 204.383 > 22 23 Tl 0.09479074103835 0.25000000000000 0.87072073744072 204.383 > 23 24 Tl 0.90520925896166 0.75000000000000 0.12927926255928 204.383 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.375851940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.370423599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 19.172105060000000 Atomic positions (fractional): *1 O 0.44567147508428 0.25000000000000 0.02073216935229 15.999 > 1 2 O 0.44567147508428 0.58333333333333 0.02073216935229 15.999 > 1 3 O 0.44567147508428 0.91666666666667 0.02073216935229 15.999 > 1 4 O 0.44567147508428 0.25000000000000 0.52073216935229 15.999 > 1 5 O 0.44567147508428 0.58333333333333 0.52073216935229 15.999 > 1 6 O 0.44567147508428 0.91666666666667 0.52073216935229 15.999 > 1 7 O 0.55432852491572 0.08333333333333 0.47926783064771 15.999 > 2 8 O 0.55432852491572 0.41666666666667 0.47926783064771 15.999 > 2 9 O 0.55432852491572 0.75000000000000 0.47926783064771 15.999 > 2 10 O 0.55432852491572 0.08333333333333 0.97926783064771 15.999 > 2 11 O 0.55432852491572 0.41666666666667 0.97926783064771 15.999 > 2 12 O 0.55432852491572 0.75000000000000 0.97926783064771 15.999 > 2 13 O 0.05432852491572 0.08333333333333 0.27073216935229 15.999 > 3 14 O 0.05432852491572 0.41666666666667 0.27073216935229 15.999 > 3 15 O 0.05432852491572 0.75000000000000 0.27073216935229 15.999 > 3 16 O 0.05432852491572 0.08333333333333 0.77073216935229 15.999 > 3 17 O 0.05432852491572 0.41666666666667 0.77073216935229 15.999 > 3 18 O 0.05432852491572 0.75000000000000 0.77073216935229 15.999 > 3 19 O 0.94567147508428 0.25000000000000 0.22926783064771 15.999 > 4 20 O 0.94567147508428 0.58333333333333 0.22926783064771 15.999 > 4 21 O 0.94567147508428 0.91666666666667 0.22926783064771 15.999 > 4 22 O 0.94567147508428 0.25000000000000 0.72926783064771 15.999 > 4 23 O 0.94567147508428 0.58333333333333 0.72926783064771 15.999 > 4 24 O 0.94567147508428 0.91666666666667 0.72926783064771 15.999 > 4 *25 O 0.20177287814870 0.25000000000000 0.20720223607639 15.999 > 5 26 O 0.20177287814870 0.58333333333333 0.20720223607639 15.999 > 5 27 O 0.20177287814870 0.91666666666667 0.20720223607639 15.999 > 5 28 O 0.20177287814870 0.25000000000000 0.70720223607639 15.999 > 5 29 O 0.20177287814870 0.58333333333333 0.70720223607639 15.999 > 5 30 O 0.20177287814870 0.91666666666667 0.70720223607639 15.999 > 5 31 O 0.79822712185130 0.08333333333333 0.29279776392361 15.999 > 6 32 O 0.79822712185130 0.41666666666667 0.29279776392361 15.999 > 6 33 O 0.79822712185130 0.75000000000000 0.29279776392361 15.999 > 6 34 O 0.79822712185130 0.08333333333333 0.79279776392361 15.999 > 6 35 O 0.79822712185130 0.41666666666667 0.79279776392361 15.999 > 6 36 O 0.79822712185130 0.75000000000000 0.79279776392361 15.999 > 6 37 O 0.29822712185130 0.08333333333333 0.45720223607639 15.999 > 7 38 O 0.29822712185130 0.41666666666667 0.45720223607639 15.999 > 7 39 O 0.29822712185130 0.75000000000000 0.45720223607639 15.999 > 7 40 O 0.29822712185130 0.08333333333333 0.95720223607639 15.999 > 7 41 O 0.29822712185130 0.41666666666667 0.95720223607639 15.999 > 7 42 O 0.29822712185130 0.75000000000000 0.95720223607639 15.999 > 7 *43 O 0.84901560519931 0.08333333333333 0.14132370779915 15.999 > 8 44 O 0.84901560519931 0.41666666666667 0.14132370779915 15.999 > 8 45 O 0.84901560519931 0.75000000000000 0.14132370779915 15.999 > 8 46 O 0.84901560519931 0.08333333333333 0.64132370779915 15.999 > 8 47 O 0.84901560519931 0.41666666666667 0.64132370779915 15.999 > 8 48 O 0.84901560519931 0.75000000000000 0.64132370779915 15.999 > 8 49 O 0.34901560519931 0.08333333333333 0.10867629220085 15.999 > 9 50 O 0.34901560519931 0.41666666666667 0.10867629220085 15.999 > 9 51 O 0.34901560519931 0.75000000000000 0.10867629220085 15.999 > 9 52 O 0.34901560519931 0.08333333333333 0.60867629220085 15.999 > 9 53 O 0.34901560519931 0.41666666666667 0.60867629220085 15.999 > 9 54 O 0.34901560519931 0.75000000000000 0.60867629220085 15.999 > 9 55 O 0.65098439480069 0.25000000000000 0.39132370779915 15.999 > 10 56 O 0.65098439480069 0.58333333333333 0.39132370779915 15.999 > 10 57 O 0.65098439480069 0.91666666666667 0.39132370779915 15.999 > 10 58 O 0.65098439480069 0.25000000000000 0.89132370779915 15.999 > 10 59 O 0.65098439480069 0.58333333333333 0.89132370779915 15.999 > 10 60 O 0.65098439480069 0.91666666666667 0.89132370779915 15.999 > 10 61 O 0.15098439480069 0.25000000000000 0.35867629220085 15.999 > 11 62 O 0.15098439480069 0.58333333333333 0.35867629220085 15.999 > 11 63 O 0.15098439480069 0.91666666666667 0.35867629220085 15.999 > 11 64 O 0.15098439480069 0.25000000000000 0.85867629220085 15.999 > 11 65 O 0.15098439480069 0.58333333333333 0.85867629220085 15.999 > 11 66 O 0.15098439480069 0.91666666666667 0.85867629220085 15.999 > 11 67 O 0.70177287814870 0.25000000000000 0.04279776392361 15.999 > 12 68 O 0.70177287814870 0.58333333333333 0.04279776392361 15.999 > 12 69 O 0.70177287814870 0.91666666666667 0.04279776392361 15.999 > 12 70 O 0.70177287814870 0.25000000000000 0.54279776392361 15.999 > 12 71 O 0.70177287814870 0.58333333333333 0.54279776392361 15.999 > 12 72 O 0.70177287814870 0.91666666666667 0.54279776392361 15.999 > 12 *73 Ti 0.90396350708805 0.08333333333333 0.22952518258489 47.867 > 13 74 Ti 0.90396350708805 0.41666666666667 0.22952518258489 47.867 > 13 75 Ti 0.90396350708805 0.75000000000000 0.22952518258489 47.867 > 13 76 Ti 0.90396350708805 0.08333333333333 0.72952518258489 47.867 > 13 77 Ti 0.90396350708805 0.41666666666667 0.72952518258489 47.867 > 13 78 Ti 0.90396350708805 0.75000000000000 0.72952518258489 47.867 > 13 79 Ti 0.59603649291195 0.25000000000000 0.47952518258489 47.867 > 14 80 Ti 0.59603649291195 0.58333333333333 0.47952518258489 47.867 > 14 81 Ti 0.59603649291195 0.91666666666667 0.47952518258489 47.867 > 14 82 Ti 0.59603649291195 0.25000000000000 0.97952518258489 47.867 > 14 83 Ti 0.59603649291195 0.58333333333333 0.97952518258489 47.867 > 14 84 Ti 0.59603649291195 0.91666666666667 0.97952518258489 47.867 > 14 85 Ti 0.09603649291195 0.25000000000000 0.27047481741511 47.867 > 15 86 Ti 0.09603649291195 0.58333333333333 0.27047481741511 47.867 > 15 87 Ti 0.09603649291195 0.91666666666667 0.27047481741511 47.867 > 15 88 Ti 0.09603649291195 0.25000000000000 0.77047481741511 47.867 > 15 89 Ti 0.09603649291195 0.58333333333333 0.77047481741511 47.867 > 15 90 Ti 0.09603649291195 0.91666666666667 0.77047481741511 47.867 > 15 91 Ti 0.40396350708805 0.08333333333333 0.02047481741511 47.867 > 16 92 Ti 0.40396350708805 0.41666666666667 0.02047481741511 47.867 > 16 93 Ti 0.40396350708805 0.75000000000000 0.02047481741511 47.867 > 16 94 Ti 0.40396350708805 0.08333333333333 0.52047481741511 47.867 > 16 95 Ti 0.40396350708805 0.41666666666667 0.52047481741511 47.867 > 16 96 Ti 0.40396350708805 0.75000000000000 0.52047481741511 47.867 > 16 *97 Tl 0.34417929407941 0.25000000000000 0.37227843002286 204.383 > 17 98 Tl 0.34417929407941 0.58333333333333 0.37227843002286 204.383 > 17 99 Tl 0.34417929407941 0.91666666666667 0.37227843002286 204.383 > 17 100 Tl 0.34417929407941 0.25000000000000 0.87227843002286 204.383 > 17 101 Tl 0.34417929407941 0.58333333333333 0.87227843002286 204.383 > 17 102 Tl 0.34417929407941 0.91666666666667 0.87227843002286 204.383 > 17 103 Tl 0.84417929407941 0.25000000000000 0.37772156997714 204.383 > 18 104 Tl 0.84417929407941 0.58333333333333 0.37772156997714 204.383 > 18 105 Tl 0.84417929407941 0.91666666666667 0.37772156997714 204.383 > 18 106 Tl 0.84417929407941 0.25000000000000 0.87772156997714 204.383 > 18 107 Tl 0.84417929407941 0.58333333333333 0.87772156997714 204.383 > 18 108 Tl 0.84417929407941 0.91666666666667 0.87772156997714 204.383 > 18 109 Tl 0.15582070592059 0.08333333333333 0.12227843002286 204.383 > 19 110 Tl 0.15582070592059 0.41666666666667 0.12227843002286 204.383 > 19 111 Tl 0.15582070592059 0.75000000000000 0.12227843002286 204.383 > 19 112 Tl 0.15582070592059 0.08333333333333 0.62227843002286 204.383 > 19 113 Tl 0.15582070592059 0.41666666666667 0.62227843002286 204.383 > 19 114 Tl 0.15582070592059 0.75000000000000 0.62227843002286 204.383 > 19 115 Tl 0.65582070592059 0.08333333333333 0.12772156997714 204.383 > 20 116 Tl 0.65582070592059 0.41666666666667 0.12772156997714 204.383 > 20 117 Tl 0.65582070592059 0.75000000000000 0.12772156997714 204.383 > 20 118 Tl 0.65582070592059 0.08333333333333 0.62772156997714 204.383 > 20 119 Tl 0.65582070592059 0.41666666666667 0.62772156997714 204.383 > 20 120 Tl 0.65582070592059 0.75000000000000 0.62772156997714 204.383 > 20 *121 Tl 0.40520925896165 0.25000000000000 0.18536036872036 204.383 > 21 122 Tl 0.40520925896165 0.58333333333333 0.18536036872036 204.383 > 21 123 Tl 0.40520925896165 0.91666666666667 0.18536036872036 204.383 > 21 124 Tl 0.40520925896165 0.25000000000000 0.68536036872036 204.383 > 21 125 Tl 0.40520925896165 0.58333333333333 0.68536036872036 204.383 > 21 126 Tl 0.40520925896165 0.91666666666667 0.68536036872036 204.383 > 21 127 Tl 0.59479074103834 0.08333333333333 0.31463963127964 204.383 > 22 128 Tl 0.59479074103834 0.41666666666667 0.31463963127964 204.383 > 22 129 Tl 0.59479074103834 0.75000000000000 0.31463963127964 204.383 > 22 130 Tl 0.59479074103834 0.08333333333333 0.81463963127964 204.383 > 22 131 Tl 0.59479074103834 0.41666666666667 0.81463963127964 204.383 > 22 132 Tl 0.59479074103834 0.75000000000000 0.81463963127964 204.383 > 22 133 Tl 0.09479074103835 0.08333333333333 0.43536036872036 204.383 > 23 134 Tl 0.09479074103835 0.41666666666667 0.43536036872036 204.383 > 23 135 Tl 0.09479074103835 0.75000000000000 0.43536036872036 204.383 > 23 136 Tl 0.09479074103835 0.08333333333333 0.93536036872036 204.383 > 23 137 Tl 0.09479074103835 0.41666666666667 0.93536036872036 204.383 > 23 138 Tl 0.09479074103835 0.75000000000000 0.93536036872036 204.383 > 23 139 Tl 0.90520925896166 0.25000000000000 0.06463963127964 204.383 > 24 140 Tl 0.90520925896166 0.58333333333333 0.06463963127964 204.383 > 24 141 Tl 0.90520925896166 0.91666666666667 0.06463963127964 204.383 > 24 142 Tl 0.90520925896166 0.25000000000000 0.56463963127964 204.383 > 24 143 Tl 0.90520925896166 0.58333333333333 0.56463963127964 204.383 > 24 144 Tl 0.90520925896166 0.91666666666667 0.56463963127964 204.383 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7187166 0.0000000 0.0000000 0.0000000 5.5988659 0.0000000 0.0000000 0.0000000 6.2242284 -------------------------- Born effective charges -------------------------- 1 O -2.1047711 0.0000000 0.3632128 0.0000000 -4.4415709 0.0000000 0.4628351 0.0000000 -1.3285459 2 O -2.1047711 0.0000000 0.3632128 0.0000000 -4.4415709 0.0000000 0.4628351 0.0000000 -1.3285459 3 O -2.1047711 0.0000000 -0.3632128 0.0000000 -4.4415709 0.0000000 -0.4628351 0.0000000 -1.3285459 4 O -2.1047711 0.0000000 -0.3632128 0.0000000 -4.4415709 0.0000000 -0.4628351 0.0000000 -1.3285459 5 O -2.8813351 0.0000000 0.8826651 0.0000000 -1.7729841 0.0000000 1.5679777 0.0000000 -3.1180868 6 O -2.8813351 0.0000000 0.8826651 0.0000000 -1.7729841 0.0000000 1.5679777 0.0000000 -3.1180868 7 O -2.8813351 0.0000000 -0.8826651 0.0000000 -1.7729841 0.0000000 -1.5679777 0.0000000 -3.1180868 8 O -2.6677458 0.0000000 -0.5666152 0.0000000 -2.0675890 0.0000000 -0.6738496 0.0000000 -4.0549772 9 O -2.6677458 0.0000000 0.5666152 0.0000000 -2.0675890 0.0000000 0.6738496 0.0000000 -4.0549772 10 O -2.6677458 0.0000000 0.5666152 0.0000000 -2.0675890 0.0000000 0.6738496 0.0000000 -4.0549772 11 O -2.6677458 0.0000000 -0.5666152 0.0000000 -2.0675890 0.0000000 -0.6738496 0.0000000 -4.0549772 12 O -2.8813351 0.0000000 -0.8826651 0.0000000 -1.7729841 0.0000000 -1.5679777 0.0000000 -3.1180868 13 Ti 3.3346611 0.0000000 0.1836205 0.0000000 4.9309836 0.0000000 -0.1688830 0.0000000 5.1573727 14 Ti 3.3346611 0.0000000 -0.1836205 0.0000000 4.9309836 0.0000000 0.1688830 0.0000000 5.1573727 15 Ti 3.3346611 0.0000000 0.1836205 0.0000000 4.9309836 0.0000000 -0.1688830 0.0000000 5.1573727 16 Ti 3.3346611 0.0000000 -0.1836205 0.0000000 4.9309836 0.0000000 0.1688830 0.0000000 5.1573727 17 Tl 2.3027668 0.0000000 0.0571726 0.0000000 1.5311994 0.0000000 -0.0174765 0.0000000 1.5967091 18 Tl 2.3027668 0.0000000 -0.0571726 0.0000000 1.5311994 0.0000000 0.0174765 0.0000000 1.5967091 19 Tl 2.3027668 0.0000000 -0.0571726 0.0000000 1.5311994 0.0000000 0.0174765 0.0000000 1.5967091 20 Tl 2.3027668 0.0000000 0.0571726 0.0000000 1.5311994 0.0000000 -0.0174765 0.0000000 1.5967091 21 Tl 2.0164240 0.0000000 0.2619422 0.0000000 1.8199609 0.0000000 0.2869439 0.0000000 1.7475282 22 Tl 2.0164240 0.0000000 0.2619422 0.0000000 1.8199609 0.0000000 0.2869439 0.0000000 1.7475282 23 Tl 2.0164240 0.0000000 -0.2619422 0.0000000 1.8199609 0.0000000 -0.2869439 0.0000000 1.7475282 24 Tl 2.0164240 0.0000000 -0.2619422 0.0000000 1.8199609 0.0000000 -0.2869439 0.0000000 1.7475282 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.833 Solver_block: 200 / 400 - Time: 0.775 Solver_block: 300 / 400 - Time: 0.894 Solver_block: 400 / 400 - Time: 1.894 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.740 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), 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 04:01:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:01:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.375851940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.790141199999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.586052530000000 Atomic positions (fractional): 1 O 0.44567147508428 0.75000000000000 0.04146433870458 15.999 2 O 0.55432852491572 0.25000000000000 0.95853566129542 15.999 3 O 0.05432852491572 0.25000000000000 0.54146433870458 15.999 4 O 0.94567147508428 0.75000000000000 0.45853566129542 15.999 5 O 0.20177287814870 0.75000000000000 0.41440447215277 15.999 6 O 0.79822712185130 0.25000000000000 0.58559552784722 15.999 7 O 0.29822712185130 0.25000000000000 0.91440447215278 15.999 8 O 0.84901560519931 0.25000000000000 0.28264741559831 15.999 9 O 0.34901560519931 0.25000000000000 0.21735258440169 15.999 10 O 0.65098439480069 0.75000000000000 0.78264741559831 15.999 11 O 0.15098439480069 0.75000000000000 0.71735258440169 15.999 12 O 0.70177287814870 0.75000000000000 0.08559552784722 15.999 13 Ti 0.90396350708805 0.25000000000000 0.45905036516978 47.867 14 Ti 0.59603649291195 0.75000000000000 0.95905036516979 47.867 15 Ti 0.09603649291195 0.75000000000000 0.54094963483021 47.867 16 Ti 0.40396350708805 0.25000000000000 0.04094963483021 47.867 17 Tl 0.34417929407941 0.75000000000000 0.74455686004573 204.383 18 Tl 0.84417929407941 0.75000000000000 0.75544313995427 204.383 19 Tl 0.15582070592059 0.25000000000000 0.24455686004573 204.383 20 Tl 0.65582070592059 0.25000000000000 0.25544313995427 204.383 21 Tl 0.40520925896165 0.75000000000000 0.37072073744072 204.383 22 Tl 0.59479074103834 0.25000000000000 0.62927926255928 204.383 23 Tl 0.09479074103835 0.25000000000000 0.87072073744072 204.383 24 Tl 0.90520925896166 0.75000000000000 0.12927926255928 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.375851940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.370423599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 19.172105060000000 Atomic positions (fractional): 1 O 0.44567147508428 0.25000000000000 0.02073216935229 15.999 > 1 2 O 0.44567147508428 0.58333333333333 0.02073216935229 15.999 > 1 3 O 0.44567147508428 0.91666666666667 0.02073216935229 15.999 > 1 4 O 0.44567147508428 0.25000000000000 0.52073216935229 15.999 > 1 5 O 0.44567147508428 0.58333333333333 0.52073216935229 15.999 > 1 6 O 0.44567147508428 0.91666666666667 0.52073216935229 15.999 > 1 7 O 0.55432852491572 0.08333333333333 0.47926783064771 15.999 > 7 8 O 0.55432852491572 0.41666666666667 0.47926783064771 15.999 > 7 9 O 0.55432852491572 0.75000000000000 0.47926783064771 15.999 > 7 10 O 0.55432852491572 0.08333333333333 0.97926783064771 15.999 > 7 11 O 0.55432852491572 0.41666666666667 0.97926783064771 15.999 > 7 12 O 0.55432852491572 0.75000000000000 0.97926783064771 15.999 > 7 13 O 0.05432852491572 0.08333333333333 0.27073216935229 15.999 > 13 14 O 0.05432852491572 0.41666666666667 0.27073216935229 15.999 > 13 15 O 0.05432852491572 0.75000000000000 0.27073216935229 15.999 > 13 16 O 0.05432852491572 0.08333333333333 0.77073216935229 15.999 > 13 17 O 0.05432852491572 0.41666666666667 0.77073216935229 15.999 > 13 18 O 0.05432852491572 0.75000000000000 0.77073216935229 15.999 > 13 19 O 0.94567147508428 0.25000000000000 0.22926783064771 15.999 > 19 20 O 0.94567147508428 0.58333333333333 0.22926783064771 15.999 > 19 21 O 0.94567147508428 0.91666666666667 0.22926783064771 15.999 > 19 22 O 0.94567147508428 0.25000000000000 0.72926783064771 15.999 > 19 23 O 0.94567147508428 0.58333333333333 0.72926783064771 15.999 > 19 24 O 0.94567147508428 0.91666666666667 0.72926783064771 15.999 > 19 25 O 0.20177287814870 0.25000000000000 0.20720223607639 15.999 > 25 26 O 0.20177287814870 0.58333333333333 0.20720223607639 15.999 > 25 27 O 0.20177287814870 0.91666666666667 0.20720223607639 15.999 > 25 28 O 0.20177287814870 0.25000000000000 0.70720223607639 15.999 > 25 29 O 0.20177287814870 0.58333333333333 0.70720223607639 15.999 > 25 30 O 0.20177287814870 0.91666666666667 0.70720223607639 15.999 > 25 31 O 0.79822712185130 0.08333333333333 0.29279776392361 15.999 > 31 32 O 0.79822712185130 0.41666666666667 0.29279776392361 15.999 > 31 33 O 0.79822712185130 0.75000000000000 0.29279776392361 15.999 > 31 34 O 0.79822712185130 0.08333333333333 0.79279776392361 15.999 > 31 35 O 0.79822712185130 0.41666666666667 0.79279776392361 15.999 > 31 36 O 0.79822712185130 0.75000000000000 0.79279776392361 15.999 > 31 37 O 0.29822712185130 0.08333333333333 0.45720223607639 15.999 > 37 38 O 0.29822712185130 0.41666666666667 0.45720223607639 15.999 > 37 39 O 0.29822712185130 0.75000000000000 0.45720223607639 15.999 > 37 40 O 0.29822712185130 0.08333333333333 0.95720223607639 15.999 > 37 41 O 0.29822712185130 0.41666666666667 0.95720223607639 15.999 > 37 42 O 0.29822712185130 0.75000000000000 0.95720223607639 15.999 > 37 43 O 0.84901560519931 0.08333333333333 0.14132370779915 15.999 > 43 44 O 0.84901560519931 0.41666666666667 0.14132370779915 15.999 > 43 45 O 0.84901560519931 0.75000000000000 0.14132370779915 15.999 > 43 46 O 0.84901560519931 0.08333333333333 0.64132370779915 15.999 > 43 47 O 0.84901560519931 0.41666666666667 0.64132370779915 15.999 > 43 48 O 0.84901560519931 0.75000000000000 0.64132370779915 15.999 > 43 49 O 0.34901560519931 0.08333333333333 0.10867629220085 15.999 > 49 50 O 0.34901560519931 0.41666666666667 0.10867629220085 15.999 > 49 51 O 0.34901560519931 0.75000000000000 0.10867629220085 15.999 > 49 52 O 0.34901560519931 0.08333333333333 0.60867629220085 15.999 > 49 53 O 0.34901560519931 0.41666666666667 0.60867629220085 15.999 > 49 54 O 0.34901560519931 0.75000000000000 0.60867629220085 15.999 > 49 55 O 0.65098439480069 0.25000000000000 0.39132370779915 15.999 > 55 56 O 0.65098439480069 0.58333333333333 0.39132370779915 15.999 > 55 57 O 0.65098439480069 0.91666666666667 0.39132370779915 15.999 > 55 58 O 0.65098439480069 0.25000000000000 0.89132370779915 15.999 > 55 59 O 0.65098439480069 0.58333333333333 0.89132370779915 15.999 > 55 60 O 0.65098439480069 0.91666666666667 0.89132370779915 15.999 > 55 61 O 0.15098439480069 0.25000000000000 0.35867629220085 15.999 > 61 62 O 0.15098439480069 0.58333333333333 0.35867629220085 15.999 > 61 63 O 0.15098439480069 0.91666666666667 0.35867629220085 15.999 > 61 64 O 0.15098439480069 0.25000000000000 0.85867629220085 15.999 > 61 65 O 0.15098439480069 0.58333333333333 0.85867629220085 15.999 > 61 66 O 0.15098439480069 0.91666666666667 0.85867629220085 15.999 > 61 67 O 0.70177287814870 0.25000000000000 0.04279776392361 15.999 > 67 68 O 0.70177287814870 0.58333333333333 0.04279776392361 15.999 > 67 69 O 0.70177287814870 0.91666666666667 0.04279776392361 15.999 > 67 70 O 0.70177287814870 0.25000000000000 0.54279776392361 15.999 > 67 71 O 0.70177287814870 0.58333333333333 0.54279776392361 15.999 > 67 72 O 0.70177287814870 0.91666666666667 0.54279776392361 15.999 > 67 73 Ti 0.90396350708805 0.08333333333333 0.22952518258489 47.867 > 73 74 Ti 0.90396350708805 0.41666666666667 0.22952518258489 47.867 > 73 75 Ti 0.90396350708805 0.75000000000000 0.22952518258489 47.867 > 73 76 Ti 0.90396350708805 0.08333333333333 0.72952518258489 47.867 > 73 77 Ti 0.90396350708805 0.41666666666667 0.72952518258489 47.867 > 73 78 Ti 0.90396350708805 0.75000000000000 0.72952518258489 47.867 > 73 79 Ti 0.59603649291195 0.25000000000000 0.47952518258489 47.867 > 79 80 Ti 0.59603649291195 0.58333333333333 0.47952518258489 47.867 > 79 81 Ti 0.59603649291195 0.91666666666667 0.47952518258489 47.867 > 79 82 Ti 0.59603649291195 0.25000000000000 0.97952518258489 47.867 > 79 83 Ti 0.59603649291195 0.58333333333333 0.97952518258489 47.867 > 79 84 Ti 0.59603649291195 0.91666666666667 0.97952518258489 47.867 > 79 85 Ti 0.09603649291195 0.25000000000000 0.27047481741511 47.867 > 85 86 Ti 0.09603649291195 0.58333333333333 0.27047481741511 47.867 > 85 87 Ti 0.09603649291195 0.91666666666667 0.27047481741511 47.867 > 85 88 Ti 0.09603649291195 0.25000000000000 0.77047481741511 47.867 > 85 89 Ti 0.09603649291195 0.58333333333333 0.77047481741511 47.867 > 85 90 Ti 0.09603649291195 0.91666666666667 0.77047481741511 47.867 > 85 91 Ti 0.40396350708805 0.08333333333333 0.02047481741511 47.867 > 91 92 Ti 0.40396350708805 0.41666666666667 0.02047481741511 47.867 > 91 93 Ti 0.40396350708805 0.75000000000000 0.02047481741511 47.867 > 91 94 Ti 0.40396350708805 0.08333333333333 0.52047481741511 47.867 > 91 95 Ti 0.40396350708805 0.41666666666667 0.52047481741511 47.867 > 91 96 Ti 0.40396350708805 0.75000000000000 0.52047481741511 47.867 > 91 97 Tl 0.34417929407941 0.25000000000000 0.37227843002286 204.383 > 97 98 Tl 0.34417929407941 0.58333333333333 0.37227843002286 204.383 > 97 99 Tl 0.34417929407941 0.91666666666667 0.37227843002286 204.383 > 97 100 Tl 0.34417929407941 0.25000000000000 0.87227843002286 204.383 > 97 101 Tl 0.34417929407941 0.58333333333333 0.87227843002286 204.383 > 97 102 Tl 0.34417929407941 0.91666666666667 0.87227843002286 204.383 > 97 103 Tl 0.84417929407941 0.25000000000000 0.37772156997714 204.383 > 103 104 Tl 0.84417929407941 0.58333333333333 0.37772156997714 204.383 > 103 105 Tl 0.84417929407941 0.91666666666667 0.37772156997714 204.383 > 103 106 Tl 0.84417929407941 0.25000000000000 0.87772156997714 204.383 > 103 107 Tl 0.84417929407941 0.58333333333333 0.87772156997714 204.383 > 103 108 Tl 0.84417929407941 0.91666666666667 0.87772156997714 204.383 > 103 109 Tl 0.15582070592059 0.08333333333333 0.12227843002286 204.383 > 109 110 Tl 0.15582070592059 0.41666666666667 0.12227843002286 204.383 > 109 111 Tl 0.15582070592059 0.75000000000000 0.12227843002286 204.383 > 109 112 Tl 0.15582070592059 0.08333333333333 0.62227843002286 204.383 > 109 113 Tl 0.15582070592059 0.41666666666667 0.62227843002286 204.383 > 109 114 Tl 0.15582070592059 0.75000000000000 0.62227843002286 204.383 > 109 115 Tl 0.65582070592059 0.08333333333333 0.12772156997714 204.383 > 115 116 Tl 0.65582070592059 0.41666666666667 0.12772156997714 204.383 > 115 117 Tl 0.65582070592059 0.75000000000000 0.12772156997714 204.383 > 115 118 Tl 0.65582070592059 0.08333333333333 0.62772156997714 204.383 > 115 119 Tl 0.65582070592059 0.41666666666667 0.62772156997714 204.383 > 115 120 Tl 0.65582070592059 0.75000000000000 0.62772156997714 204.383 > 115 121 Tl 0.40520925896165 0.25000000000000 0.18536036872036 204.383 > 121 122 Tl 0.40520925896165 0.58333333333333 0.18536036872036 204.383 > 121 123 Tl 0.40520925896165 0.91666666666667 0.18536036872036 204.383 > 121 124 Tl 0.40520925896165 0.25000000000000 0.68536036872036 204.383 > 121 125 Tl 0.40520925896165 0.58333333333333 0.68536036872036 204.383 > 121 126 Tl 0.40520925896165 0.91666666666667 0.68536036872036 204.383 > 121 127 Tl 0.59479074103834 0.08333333333333 0.31463963127964 204.383 > 127 128 Tl 0.59479074103834 0.41666666666667 0.31463963127964 204.383 > 127 129 Tl 0.59479074103834 0.75000000000000 0.31463963127964 204.383 > 127 130 Tl 0.59479074103834 0.08333333333333 0.81463963127964 204.383 > 127 131 Tl 0.59479074103834 0.41666666666667 0.81463963127964 204.383 > 127 132 Tl 0.59479074103834 0.75000000000000 0.81463963127964 204.383 > 127 133 Tl 0.09479074103835 0.08333333333333 0.43536036872036 204.383 > 133 134 Tl 0.09479074103835 0.41666666666667 0.43536036872036 204.383 > 133 135 Tl 0.09479074103835 0.75000000000000 0.43536036872036 204.383 > 133 136 Tl 0.09479074103835 0.08333333333333 0.93536036872036 204.383 > 133 137 Tl 0.09479074103835 0.41666666666667 0.93536036872036 204.383 > 133 138 Tl 0.09479074103835 0.75000000000000 0.93536036872036 204.383 > 133 139 Tl 0.90520925896166 0.25000000000000 0.06463963127964 204.383 > 139 140 Tl 0.90520925896166 0.58333333333333 0.06463963127964 204.383 > 139 141 Tl 0.90520925896166 0.91666666666667 0.06463963127964 204.383 > 139 142 Tl 0.90520925896166 0.25000000000000 0.56463963127964 204.383 > 139 143 Tl 0.90520925896166 0.58333333333333 0.56463963127964 204.383 > 139 144 Tl 0.90520925896166 0.91666666666667 0.56463963127964 204.383 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7187166 0.0000000 0.0000000 0.0000000 5.5988659 0.0000000 0.0000000 0.0000000 6.2242284 -------------------------- Born effective charges -------------------------- 1 O -2.1047711 0.0000000 0.3632128 0.0000000 -4.4415709 0.0000000 0.4628351 0.0000000 -1.3285459 2 O -2.1047711 0.0000000 0.3632128 0.0000000 -4.4415709 0.0000000 0.4628351 0.0000000 -1.3285459 3 O -2.1047711 0.0000000 -0.3632128 0.0000000 -4.4415709 0.0000000 -0.4628351 0.0000000 -1.3285459 4 O -2.1047711 0.0000000 -0.3632128 0.0000000 -4.4415709 0.0000000 -0.4628351 0.0000000 -1.3285459 5 O -2.8813351 0.0000000 0.8826651 0.0000000 -1.7729841 0.0000000 1.5679777 0.0000000 -3.1180868 6 O -2.8813351 0.0000000 0.8826651 0.0000000 -1.7729841 0.0000000 1.5679777 0.0000000 -3.1180868 7 O -2.8813351 0.0000000 -0.8826651 0.0000000 -1.7729841 0.0000000 -1.5679777 0.0000000 -3.1180868 8 O -2.6677458 0.0000000 -0.5666152 0.0000000 -2.0675890 0.0000000 -0.6738496 0.0000000 -4.0549772 9 O -2.6677458 0.0000000 0.5666152 0.0000000 -2.0675890 0.0000000 0.6738496 0.0000000 -4.0549772 10 O -2.6677458 0.0000000 0.5666152 0.0000000 -2.0675890 0.0000000 0.6738496 0.0000000 -4.0549772 11 O -2.6677458 0.0000000 -0.5666152 0.0000000 -2.0675890 0.0000000 -0.6738496 0.0000000 -4.0549772 12 O -2.8813351 0.0000000 -0.8826651 0.0000000 -1.7729841 0.0000000 -1.5679777 0.0000000 -3.1180868 13 Ti 3.3346611 0.0000000 0.1836205 0.0000000 4.9309836 0.0000000 -0.1688830 0.0000000 5.1573727 14 Ti 3.3346611 0.0000000 -0.1836205 0.0000000 4.9309836 0.0000000 0.1688830 0.0000000 5.1573727 15 Ti 3.3346611 0.0000000 0.1836205 0.0000000 4.9309836 0.0000000 -0.1688830 0.0000000 5.1573727 16 Ti 3.3346611 0.0000000 -0.1836205 0.0000000 4.9309836 0.0000000 0.1688830 0.0000000 5.1573727 17 Tl 2.3027668 0.0000000 0.0571726 0.0000000 1.5311994 0.0000000 -0.0174765 0.0000000 1.5967091 18 Tl 2.3027668 0.0000000 -0.0571726 0.0000000 1.5311994 0.0000000 0.0174765 0.0000000 1.5967091 19 Tl 2.3027668 0.0000000 -0.0571726 0.0000000 1.5311994 0.0000000 0.0174765 0.0000000 1.5967091 20 Tl 2.3027668 0.0000000 0.0571726 0.0000000 1.5311994 0.0000000 -0.0174765 0.0000000 1.5967091 21 Tl 2.0164240 0.0000000 0.2619422 0.0000000 1.8199609 0.0000000 0.2869439 0.0000000 1.7475282 22 Tl 2.0164240 0.0000000 0.2619422 0.0000000 1.8199609 0.0000000 0.2869439 0.0000000 1.7475282 23 Tl 2.0164240 0.0000000 -0.2619422 0.0000000 1.8199609 0.0000000 -0.2869439 0.0000000 1.7475282 24 Tl 2.0164240 0.0000000 -0.2619422 0.0000000 1.8199609 0.0000000 -0.2869439 0.0000000 1.7475282 ---------------------------------------------------------------------------- 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[ 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[ 43, 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[ 73, 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[ 97, 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[ 121, 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:02:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:02:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.375851940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.790141199999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.586052530000000 Atomic positions (fractional): 1 O 0.44567147508428 0.75000000000000 0.04146433870458 15.999 2 O 0.55432852491572 0.25000000000000 0.95853566129542 15.999 3 O 0.05432852491572 0.25000000000000 0.54146433870458 15.999 4 O 0.94567147508428 0.75000000000000 0.45853566129542 15.999 5 O 0.20177287814870 0.75000000000000 0.41440447215277 15.999 6 O 0.79822712185130 0.25000000000000 0.58559552784722 15.999 7 O 0.29822712185130 0.25000000000000 0.91440447215278 15.999 8 O 0.84901560519931 0.25000000000000 0.28264741559831 15.999 9 O 0.34901560519931 0.25000000000000 0.21735258440169 15.999 10 O 0.65098439480069 0.75000000000000 0.78264741559831 15.999 11 O 0.15098439480069 0.75000000000000 0.71735258440169 15.999 12 O 0.70177287814870 0.75000000000000 0.08559552784722 15.999 13 Ti 0.90396350708805 0.25000000000000 0.45905036516978 47.867 14 Ti 0.59603649291195 0.75000000000000 0.95905036516979 47.867 15 Ti 0.09603649291195 0.75000000000000 0.54094963483021 47.867 16 Ti 0.40396350708805 0.25000000000000 0.04094963483021 47.867 17 Tl 0.34417929407941 0.75000000000000 0.74455686004573 204.383 18 Tl 0.84417929407941 0.75000000000000 0.75544313995427 204.383 19 Tl 0.15582070592059 0.25000000000000 0.24455686004573 204.383 20 Tl 0.65582070592059 0.25000000000000 0.25544313995427 204.383 21 Tl 0.40520925896165 0.75000000000000 0.37072073744072 204.383 22 Tl 0.59479074103834 0.25000000000000 0.62927926255928 204.383 23 Tl 0.09479074103835 0.25000000000000 0.87072073744072 204.383 24 Tl 0.90520925896166 0.75000000000000 0.12927926255928 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.375851940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.370423599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 19.172105060000000 Atomic positions (fractional): 1 O 0.44567147508428 0.25000000000000 0.02073216935229 15.999 > 1 2 O 0.44567147508428 0.58333333333333 0.02073216935229 15.999 > 1 3 O 0.44567147508428 0.91666666666667 0.02073216935229 15.999 > 1 4 O 0.44567147508428 0.25000000000000 0.52073216935229 15.999 > 1 5 O 0.44567147508428 0.58333333333333 0.52073216935229 15.999 > 1 6 O 0.44567147508428 0.91666666666667 0.52073216935229 15.999 > 1 7 O 0.55432852491572 0.08333333333333 0.47926783064771 15.999 > 7 8 O 0.55432852491572 0.41666666666667 0.47926783064771 15.999 > 7 9 O 0.55432852491572 0.75000000000000 0.47926783064771 15.999 > 7 10 O 0.55432852491572 0.08333333333333 0.97926783064771 15.999 > 7 11 O 0.55432852491572 0.41666666666667 0.97926783064771 15.999 > 7 12 O 0.55432852491572 0.75000000000000 0.97926783064771 15.999 > 7 13 O 0.05432852491572 0.08333333333333 0.27073216935229 15.999 > 13 14 O 0.05432852491572 0.41666666666667 0.27073216935229 15.999 > 13 15 O 0.05432852491572 0.75000000000000 0.27073216935229 15.999 > 13 16 O 0.05432852491572 0.08333333333333 0.77073216935229 15.999 > 13 17 O 0.05432852491572 0.41666666666667 0.77073216935229 15.999 > 13 18 O 0.05432852491572 0.75000000000000 0.77073216935229 15.999 > 13 19 O 0.94567147508428 0.25000000000000 0.22926783064771 15.999 > 19 20 O 0.94567147508428 0.58333333333333 0.22926783064771 15.999 > 19 21 O 0.94567147508428 0.91666666666667 0.22926783064771 15.999 > 19 22 O 0.94567147508428 0.25000000000000 0.72926783064771 15.999 > 19 23 O 0.94567147508428 0.58333333333333 0.72926783064771 15.999 > 19 24 O 0.94567147508428 0.91666666666667 0.72926783064771 15.999 > 19 25 O 0.20177287814870 0.25000000000000 0.20720223607639 15.999 > 25 26 O 0.20177287814870 0.58333333333333 0.20720223607639 15.999 > 25 27 O 0.20177287814870 0.91666666666667 0.20720223607639 15.999 > 25 28 O 0.20177287814870 0.25000000000000 0.70720223607639 15.999 > 25 29 O 0.20177287814870 0.58333333333333 0.70720223607639 15.999 > 25 30 O 0.20177287814870 0.91666666666667 0.70720223607639 15.999 > 25 31 O 0.79822712185130 0.08333333333333 0.29279776392361 15.999 > 31 32 O 0.79822712185130 0.41666666666667 0.29279776392361 15.999 > 31 33 O 0.79822712185130 0.75000000000000 0.29279776392361 15.999 > 31 34 O 0.79822712185130 0.08333333333333 0.79279776392361 15.999 > 31 35 O 0.79822712185130 0.41666666666667 0.79279776392361 15.999 > 31 36 O 0.79822712185130 0.75000000000000 0.79279776392361 15.999 > 31 37 O 0.29822712185130 0.08333333333333 0.45720223607639 15.999 > 37 38 O 0.29822712185130 0.41666666666667 0.45720223607639 15.999 > 37 39 O 0.29822712185130 0.75000000000000 0.45720223607639 15.999 > 37 40 O 0.29822712185130 0.08333333333333 0.95720223607639 15.999 > 37 41 O 0.29822712185130 0.41666666666667 0.95720223607639 15.999 > 37 42 O 0.29822712185130 0.75000000000000 0.95720223607639 15.999 > 37 43 O 0.84901560519931 0.08333333333333 0.14132370779915 15.999 > 43 44 O 0.84901560519931 0.41666666666667 0.14132370779915 15.999 > 43 45 O 0.84901560519931 0.75000000000000 0.14132370779915 15.999 > 43 46 O 0.84901560519931 0.08333333333333 0.64132370779915 15.999 > 43 47 O 0.84901560519931 0.41666666666667 0.64132370779915 15.999 > 43 48 O 0.84901560519931 0.75000000000000 0.64132370779915 15.999 > 43 49 O 0.34901560519931 0.08333333333333 0.10867629220085 15.999 > 49 50 O 0.34901560519931 0.41666666666667 0.10867629220085 15.999 > 49 51 O 0.34901560519931 0.75000000000000 0.10867629220085 15.999 > 49 52 O 0.34901560519931 0.08333333333333 0.60867629220085 15.999 > 49 53 O 0.34901560519931 0.41666666666667 0.60867629220085 15.999 > 49 54 O 0.34901560519931 0.75000000000000 0.60867629220085 15.999 > 49 55 O 0.65098439480069 0.25000000000000 0.39132370779915 15.999 > 55 56 O 0.65098439480069 0.58333333333333 0.39132370779915 15.999 > 55 57 O 0.65098439480069 0.91666666666667 0.39132370779915 15.999 > 55 58 O 0.65098439480069 0.25000000000000 0.89132370779915 15.999 > 55 59 O 0.65098439480069 0.58333333333333 0.89132370779915 15.999 > 55 60 O 0.65098439480069 0.91666666666667 0.89132370779915 15.999 > 55 61 O 0.15098439480069 0.25000000000000 0.35867629220085 15.999 > 61 62 O 0.15098439480069 0.58333333333333 0.35867629220085 15.999 > 61 63 O 0.15098439480069 0.91666666666667 0.35867629220085 15.999 > 61 64 O 0.15098439480069 0.25000000000000 0.85867629220085 15.999 > 61 65 O 0.15098439480069 0.58333333333333 0.85867629220085 15.999 > 61 66 O 0.15098439480069 0.91666666666667 0.85867629220085 15.999 > 61 67 O 0.70177287814870 0.25000000000000 0.04279776392361 15.999 > 67 68 O 0.70177287814870 0.58333333333333 0.04279776392361 15.999 > 67 69 O 0.70177287814870 0.91666666666667 0.04279776392361 15.999 > 67 70 O 0.70177287814870 0.25000000000000 0.54279776392361 15.999 > 67 71 O 0.70177287814870 0.58333333333333 0.54279776392361 15.999 > 67 72 O 0.70177287814870 0.91666666666667 0.54279776392361 15.999 > 67 73 Ti 0.90396350708805 0.08333333333333 0.22952518258489 47.867 > 73 74 Ti 0.90396350708805 0.41666666666667 0.22952518258489 47.867 > 73 75 Ti 0.90396350708805 0.75000000000000 0.22952518258489 47.867 > 73 76 Ti 0.90396350708805 0.08333333333333 0.72952518258489 47.867 > 73 77 Ti 0.90396350708805 0.41666666666667 0.72952518258489 47.867 > 73 78 Ti 0.90396350708805 0.75000000000000 0.72952518258489 47.867 > 73 79 Ti 0.59603649291195 0.25000000000000 0.47952518258489 47.867 > 79 80 Ti 0.59603649291195 0.58333333333333 0.47952518258489 47.867 > 79 81 Ti 0.59603649291195 0.91666666666667 0.47952518258489 47.867 > 79 82 Ti 0.59603649291195 0.25000000000000 0.97952518258489 47.867 > 79 83 Ti 0.59603649291195 0.58333333333333 0.97952518258489 47.867 > 79 84 Ti 0.59603649291195 0.91666666666667 0.97952518258489 47.867 > 79 85 Ti 0.09603649291195 0.25000000000000 0.27047481741511 47.867 > 85 86 Ti 0.09603649291195 0.58333333333333 0.27047481741511 47.867 > 85 87 Ti 0.09603649291195 0.91666666666667 0.27047481741511 47.867 > 85 88 Ti 0.09603649291195 0.25000000000000 0.77047481741511 47.867 > 85 89 Ti 0.09603649291195 0.58333333333333 0.77047481741511 47.867 > 85 90 Ti 0.09603649291195 0.91666666666667 0.77047481741511 47.867 > 85 91 Ti 0.40396350708805 0.08333333333333 0.02047481741511 47.867 > 91 92 Ti 0.40396350708805 0.41666666666667 0.02047481741511 47.867 > 91 93 Ti 0.40396350708805 0.75000000000000 0.02047481741511 47.867 > 91 94 Ti 0.40396350708805 0.08333333333333 0.52047481741511 47.867 > 91 95 Ti 0.40396350708805 0.41666666666667 0.52047481741511 47.867 > 91 96 Ti 0.40396350708805 0.75000000000000 0.52047481741511 47.867 > 91 97 Tl 0.34417929407941 0.25000000000000 0.37227843002286 204.383 > 97 98 Tl 0.34417929407941 0.58333333333333 0.37227843002286 204.383 > 97 99 Tl 0.34417929407941 0.91666666666667 0.37227843002286 204.383 > 97 100 Tl 0.34417929407941 0.25000000000000 0.87227843002286 204.383 > 97 101 Tl 0.34417929407941 0.58333333333333 0.87227843002286 204.383 > 97 102 Tl 0.34417929407941 0.91666666666667 0.87227843002286 204.383 > 97 103 Tl 0.84417929407941 0.25000000000000 0.37772156997714 204.383 > 103 104 Tl 0.84417929407941 0.58333333333333 0.37772156997714 204.383 > 103 105 Tl 0.84417929407941 0.91666666666667 0.37772156997714 204.383 > 103 106 Tl 0.84417929407941 0.25000000000000 0.87772156997714 204.383 > 103 107 Tl 0.84417929407941 0.58333333333333 0.87772156997714 204.383 > 103 108 Tl 0.84417929407941 0.91666666666667 0.87772156997714 204.383 > 103 109 Tl 0.15582070592059 0.08333333333333 0.12227843002286 204.383 > 109 110 Tl 0.15582070592059 0.41666666666667 0.12227843002286 204.383 > 109 111 Tl 0.15582070592059 0.75000000000000 0.12227843002286 204.383 > 109 112 Tl 0.15582070592059 0.08333333333333 0.62227843002286 204.383 > 109 113 Tl 0.15582070592059 0.41666666666667 0.62227843002286 204.383 > 109 114 Tl 0.15582070592059 0.75000000000000 0.62227843002286 204.383 > 109 115 Tl 0.65582070592059 0.08333333333333 0.12772156997714 204.383 > 115 116 Tl 0.65582070592059 0.41666666666667 0.12772156997714 204.383 > 115 117 Tl 0.65582070592059 0.75000000000000 0.12772156997714 204.383 > 115 118 Tl 0.65582070592059 0.08333333333333 0.62772156997714 204.383 > 115 119 Tl 0.65582070592059 0.41666666666667 0.62772156997714 204.383 > 115 120 Tl 0.65582070592059 0.75000000000000 0.62772156997714 204.383 > 115 121 Tl 0.40520925896165 0.25000000000000 0.18536036872036 204.383 > 121 122 Tl 0.40520925896165 0.58333333333333 0.18536036872036 204.383 > 121 123 Tl 0.40520925896165 0.91666666666667 0.18536036872036 204.383 > 121 124 Tl 0.40520925896165 0.25000000000000 0.68536036872036 204.383 > 121 125 Tl 0.40520925896165 0.58333333333333 0.68536036872036 204.383 > 121 126 Tl 0.40520925896165 0.91666666666667 0.68536036872036 204.383 > 121 127 Tl 0.59479074103834 0.08333333333333 0.31463963127964 204.383 > 127 128 Tl 0.59479074103834 0.41666666666667 0.31463963127964 204.383 > 127 129 Tl 0.59479074103834 0.75000000000000 0.31463963127964 204.383 > 127 130 Tl 0.59479074103834 0.08333333333333 0.81463963127964 204.383 > 127 131 Tl 0.59479074103834 0.41666666666667 0.81463963127964 204.383 > 127 132 Tl 0.59479074103834 0.75000000000000 0.81463963127964 204.383 > 127 133 Tl 0.09479074103835 0.08333333333333 0.43536036872036 204.383 > 133 134 Tl 0.09479074103835 0.41666666666667 0.43536036872036 204.383 > 133 135 Tl 0.09479074103835 0.75000000000000 0.43536036872036 204.383 > 133 136 Tl 0.09479074103835 0.08333333333333 0.93536036872036 204.383 > 133 137 Tl 0.09479074103835 0.41666666666667 0.93536036872036 204.383 > 133 138 Tl 0.09479074103835 0.75000000000000 0.93536036872036 204.383 > 133 139 Tl 0.90520925896166 0.25000000000000 0.06463963127964 204.383 > 139 140 Tl 0.90520925896166 0.58333333333333 0.06463963127964 204.383 > 139 141 Tl 0.90520925896166 0.91666666666667 0.06463963127964 204.383 > 139 142 Tl 0.90520925896166 0.25000000000000 0.56463963127964 204.383 > 139 143 Tl 0.90520925896166 0.58333333333333 0.56463963127964 204.383 > 139 144 Tl 0.90520925896166 0.91666666666667 0.56463963127964 204.383 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7187166 0.0000000 0.0000000 0.0000000 5.5988659 0.0000000 0.0000000 0.0000000 6.2242284 -------------------------- Born effective charges -------------------------- 1 O -2.1047711 0.0000000 0.3632128 0.0000000 -4.4415709 0.0000000 0.4628351 0.0000000 -1.3285459 2 O -2.1047711 0.0000000 0.3632128 0.0000000 -4.4415709 0.0000000 0.4628351 0.0000000 -1.3285459 3 O -2.1047711 0.0000000 -0.3632128 0.0000000 -4.4415709 0.0000000 -0.4628351 0.0000000 -1.3285459 4 O -2.1047711 0.0000000 -0.3632128 0.0000000 -4.4415709 0.0000000 -0.4628351 0.0000000 -1.3285459 5 O -2.8813351 0.0000000 0.8826651 0.0000000 -1.7729841 0.0000000 1.5679777 0.0000000 -3.1180868 6 O -2.8813351 0.0000000 0.8826651 0.0000000 -1.7729841 0.0000000 1.5679777 0.0000000 -3.1180868 7 O -2.8813351 0.0000000 -0.8826651 0.0000000 -1.7729841 0.0000000 -1.5679777 0.0000000 -3.1180868 8 O -2.6677458 0.0000000 -0.5666152 0.0000000 -2.0675890 0.0000000 -0.6738496 0.0000000 -4.0549772 9 O -2.6677458 0.0000000 0.5666152 0.0000000 -2.0675890 0.0000000 0.6738496 0.0000000 -4.0549772 10 O -2.6677458 0.0000000 0.5666152 0.0000000 -2.0675890 0.0000000 0.6738496 0.0000000 -4.0549772 11 O -2.6677458 0.0000000 -0.5666152 0.0000000 -2.0675890 0.0000000 -0.6738496 0.0000000 -4.0549772 12 O -2.8813351 0.0000000 -0.8826651 0.0000000 -1.7729841 0.0000000 -1.5679777 0.0000000 -3.1180868 13 Ti 3.3346611 0.0000000 0.1836205 0.0000000 4.9309836 0.0000000 -0.1688830 0.0000000 5.1573727 14 Ti 3.3346611 0.0000000 -0.1836205 0.0000000 4.9309836 0.0000000 0.1688830 0.0000000 5.1573727 15 Ti 3.3346611 0.0000000 0.1836205 0.0000000 4.9309836 0.0000000 -0.1688830 0.0000000 5.1573727 16 Ti 3.3346611 0.0000000 -0.1836205 0.0000000 4.9309836 0.0000000 0.1688830 0.0000000 5.1573727 17 Tl 2.3027668 0.0000000 0.0571726 0.0000000 1.5311994 0.0000000 -0.0174765 0.0000000 1.5967091 18 Tl 2.3027668 0.0000000 -0.0571726 0.0000000 1.5311994 0.0000000 0.0174765 0.0000000 1.5967091 19 Tl 2.3027668 0.0000000 -0.0571726 0.0000000 1.5311994 0.0000000 0.0174765 0.0000000 1.5967091 20 Tl 2.3027668 0.0000000 0.0571726 0.0000000 1.5311994 0.0000000 -0.0174765 0.0000000 1.5967091 21 Tl 2.0164240 0.0000000 0.2619422 0.0000000 1.8199609 0.0000000 0.2869439 0.0000000 1.7475282 22 Tl 2.0164240 0.0000000 0.2619422 0.0000000 1.8199609 0.0000000 0.2869439 0.0000000 1.7475282 23 Tl 2.0164240 0.0000000 -0.2619422 0.0000000 1.8199609 0.0000000 -0.2869439 0.0000000 1.7475282 24 Tl 2.0164240 0.0000000 -0.2619422 0.0000000 1.8199609 0.0000000 -0.2869439 0.0000000 1.7475282 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 ... [ 4 13 5 ] 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: 0.54, Number of G-points: 287, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.702 ( 0.000 0.000 0.000) 0.000 0.719 ( 0.000 0.000 0.000) 0.000 0.875 ( 0.000 0.000 0.000) 0.000 1.034 ( 0.000 0.000 0.000) 0.000 1.057 ( 0.000 0.000 0.000) 0.000 1.122 ( 0.000 0.000 0.000) 0.000 1.155 ( 0.000 0.000 0.000) 0.000 1.171 ( 0.000 0.000 0.000) 0.000 1.185 ( 0.000 0.000 0.000) 0.000 1.427 ( 0.000 0.000 0.000) 0.000 1.437 ( 0.000 0.000 0.000) 0.000 1.442 ( 0.000 0.000 0.000) 0.000 1.494 ( 0.000 0.000 0.000) 0.000 1.570 ( 0.000 0.000 0.000) 0.000 1.571 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 2.134 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.776 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.580 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.466 ( 0.000 0.000 0.000) 0.000 5.983 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.224 ( 0.000 0.000 0.000) 0.000 7.017 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.120 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.233 ( 0.000 0.000 0.000) 0.000 7.361 ( 0.000 0.000 0.000) 0.000 7.791 ( 0.000 0.000 0.000) 0.000 7.812 ( 0.000 0.000 0.000) 0.000 7.834 ( 0.000 0.000 0.000) 0.000 7.863 ( 0.000 0.000 0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.637 ( 0.000 0.000 0.000) 0.000 8.873 ( 0.000 0.000 0.000) 0.000 9.297 ( 0.000 0.000 0.000) 0.000 10.055 ( 0.000 0.000 0.000) 0.000 10.713 ( 0.000 0.000 0.000) 0.000 10.859 ( 0.000 0.000 0.000) 0.000 11.955 ( 0.000 0.000 0.000) 0.000 13.992 ( 0.000 0.000 0.000) 0.000 13.998 ( 0.000 0.000 0.000) 0.000 15.123 ( 0.000 0.000 0.000) 0.000 15.132 ( 0.000 0.000 0.000) 0.000 15.636 ( 0.000 0.000 0.000) 0.000 16.402 ( 0.000 0.000 0.000) 0.000 18.745 ( 0.000 0.000 0.000) 0.000 18.766 ( 0.000 0.000 0.000) 0.000 19.456 ( 0.000 0.000 0.000) 0.000 19.460 ( 0.000 0.000 0.000) 0.000 19.935 ( 0.000 0.000 0.000) 0.000 20.440 ( 0.000 0.000 0.000) 0.000 21.384 ( 0.000 0.000 0.000) 0.000 22.129 ( 0.000 0.000 0.000) 0.000 23.153 ( 0.000 0.000 0.000) 0.000 23.229 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( 11.785 0.000 0.000) 11.785 0.317 ( 15.402 0.000 0.000) 15.402 0.473 ( 20.301 0.000 0.000) 20.301 0.600 ( -2.715 0.000 0.000) 2.715 0.818 ( 3.400 0.000 0.000) 3.400 0.840 ( -2.514 0.000 0.000) 2.514 0.875 ( -11.423 0.000 0.000) 11.423 1.059 ( -0.054 0.000 0.000) 0.054 1.119 ( -3.990 0.000 0.000) 3.990 1.128 ( 0.561 0.000 0.000) 0.561 1.158 ( -0.550 0.000 0.000) 0.550 1.279 ( 5.878 0.000 0.000) 5.878 1.368 ( -12.854 0.000 0.000) 12.854 1.425 ( -1.340 0.000 0.000) 1.340 1.448 ( 0.560 0.000 0.000) 0.560 1.484 ( -0.943 0.000 0.000) 0.943 1.494 ( 0.269 0.000 0.000) 0.269 1.564 ( -0.674 0.000 0.000) 0.674 1.979 ( 1.607 0.000 0.000) 1.607 1.990 ( 1.382 0.000 0.000) 1.382 2.179 ( 1.728 0.000 0.000) 1.728 2.329 ( -6.807 0.000 0.000) 6.807 2.611 ( 6.190 0.000 0.000) 6.190 2.762 ( 4.327 0.000 0.000) 4.327 2.781 ( 0.454 0.000 0.000) 0.454 2.805 ( -0.490 0.000 0.000) 0.490 2.816 ( -3.192 0.000 0.000) 3.192 2.919 ( 0.095 0.000 0.000) 0.095 3.586 ( 1.792 0.000 0.000) 1.792 3.730 ( -3.021 0.000 0.000) 3.021 3.780 ( 8.152 0.000 0.000) 8.152 4.164 ( -6.992 0.000 0.000) 6.992 5.403 ( 1.080 0.000 0.000) 1.080 5.456 ( -0.983 0.000 0.000) 0.983 5.966 ( -1.308 0.000 0.000) 1.308 6.034 ( -7.442 0.000 0.000) 7.442 6.554 ( 14.025 0.000 0.000) 14.025 6.964 ( -5.312 0.000 0.000) 5.312 7.062 ( 1.480 0.000 0.000) 1.480 7.164 ( -3.211 0.000 0.000) 3.211 7.242 ( 11.362 0.000 0.000) 11.362 7.286 ( 2.476 0.000 0.000) 2.476 7.353 ( -0.806 0.000 0.000) 0.806 7.757 ( -7.808 0.000 0.000) 7.808 7.794 ( 0.273 0.000 0.000) 0.273 7.809 ( -0.286 0.000 0.000) 0.286 7.864 ( 0.052 0.000 0.000) 0.052 7.866 ( -0.020 0.000 0.000) 0.020 8.207 ( 0.089 0.000 0.000) 0.089 8.418 ( -12.334 0.000 0.000) 12.334 9.123 ( 15.955 0.000 0.000) 15.955 9.692 ( -10.249 0.000 0.000) 10.249 10.149 ( 9.118 0.000 0.000) 9.118 10.618 ( -8.990 0.000 0.000) 8.990 11.040 ( 16.137 0.000 0.000) 16.137 11.799 ( -14.473 0.000 0.000) 14.473 13.993 ( 0.085 0.000 0.000) 0.085 13.998 ( -0.084 0.000 0.000) 0.084 15.125 ( 0.123 0.000 0.000) 0.123 15.131 ( -0.120 0.000 0.000) 0.120 16.513 ( 10.044 0.000 0.000) 10.044 16.947 ( -7.022 0.000 0.000) 7.022 18.741 ( -0.236 0.000 0.000) 0.236 18.757 ( -0.753 0.000 0.000) 0.753 19.456 ( 0.062 0.000 0.000) 0.062 19.459 ( -0.062 0.000 0.000) 0.062 20.233 ( 0.260 0.000 0.000) 0.260 20.356 ( -6.024 0.000 0.000) 6.024 21.633 ( 21.614 0.000 0.000) 21.614 22.632 ( -20.916 0.000 0.000) 20.916 23.235 ( 3.750 0.000 0.000) 3.750 23.245 ( 1.302 0.000 0.000) 1.302 ======================= Grid point 2 (3/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -7.593 0.000 0.000) 7.593 0.453 ( 7.593 0.000 0.000) 7.593 0.616 ( -13.978 0.000 0.000) 13.978 0.616 ( 13.978 0.000 0.000) 13.978 0.807 ( -1.440 0.000 0.000) 1.440 0.807 ( 1.440 0.000 0.000) 1.440 0.978 ( -17.713 0.000 0.000) 17.713 0.978 ( 17.713 0.000 0.000) 17.713 1.077 ( -1.982 0.000 0.000) 1.982 1.077 ( 1.982 0.000 0.000) 1.982 1.143 ( -0.825 0.000 0.000) 0.825 1.143 ( 0.825 0.000 0.000) 0.825 1.376 ( -3.601 0.000 0.000) 3.601 1.376 ( 3.601 0.000 0.000) 3.601 1.463 ( -0.958 0.000 0.000) 0.958 1.463 ( 0.958 0.000 0.000) 0.958 1.536 ( -2.117 0.000 0.000) 2.117 1.536 ( 2.117 0.000 0.000) 2.117 2.006 ( -0.417 0.000 0.000) 0.417 2.006 ( 0.417 0.000 0.000) 0.417 2.225 ( -3.320 0.000 0.000) 3.320 2.225 ( 3.320 0.000 0.000) 3.320 2.726 ( -5.134 0.000 0.000) 5.134 2.726 ( 5.134 0.000 0.000) 5.134 2.793 ( -0.667 0.000 0.000) 0.667 2.793 ( 0.667 0.000 0.000) 0.667 2.866 ( -4.749 0.000 0.000) 4.749 2.866 ( 4.749 0.000 0.000) 4.749 3.653 ( -4.156 0.000 0.000) 4.156 3.653 ( 4.156 0.000 0.000) 4.156 3.978 ( -10.506 0.000 0.000) 10.506 3.978 ( 10.506 0.000 0.000) 10.506 5.430 ( -1.458 0.000 0.000) 1.458 5.430 ( 1.458 0.000 0.000) 1.458 5.954 ( -0.905 0.000 0.000) 0.905 5.954 ( 0.905 0.000 0.000) 0.905 6.804 ( -10.384 0.000 0.000) 10.384 6.804 ( 10.384 0.000 0.000) 10.384 7.104 ( -2.645 0.000 0.000) 2.645 7.104 ( 2.645 0.000 0.000) 2.645 7.328 ( -1.649 0.000 0.000) 1.649 7.328 ( 1.649 0.000 0.000) 1.649 7.522 ( -14.482 0.000 0.000) 14.482 7.522 ( 14.482 0.000 0.000) 14.482 7.801 ( -0.393 0.000 0.000) 0.393 7.801 ( 0.393 0.000 0.000) 0.393 7.865 ( -0.052 0.000 0.000) 0.052 7.865 ( 0.052 0.000 0.000) 0.052 8.244 ( -4.579 0.000 0.000) 4.579 8.244 ( 4.579 0.000 0.000) 4.579 9.435 ( -14.532 0.000 0.000) 14.532 9.435 ( 14.532 0.000 0.000) 14.532 10.385 ( -12.897 0.000 0.000) 12.897 10.385 ( 12.897 0.000 0.000) 12.897 11.429 ( -20.525 0.000 0.000) 20.525 11.429 ( 20.525 0.000 0.000) 20.525 13.995 ( -0.119 0.000 0.000) 0.119 13.995 ( 0.119 0.000 0.000) 0.119 15.128 ( -0.174 0.000 0.000) 0.174 15.128 ( 0.174 0.000 0.000) 0.174 16.749 ( -11.858 0.000 0.000) 11.858 16.749 ( 11.858 0.000 0.000) 11.858 18.742 ( -0.473 0.000 0.000) 0.473 18.742 ( 0.473 0.000 0.000) 0.473 19.458 ( -0.088 0.000 0.000) 0.088 19.458 ( 0.088 0.000 0.000) 0.088 20.261 ( -2.936 0.000 0.000) 2.936 20.261 ( 2.936 0.000 0.000) 2.936 22.140 ( -26.403 0.000 0.000) 26.403 22.140 ( 26.403 0.000 0.000) 26.403 23.266 ( -0.306 0.000 0.000) 0.306 23.266 ( 0.306 0.000 0.000) 0.306 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.233 ( 0.000 11.524 0.000) 11.524 0.354 ( 0.000 17.361 0.000) 17.361 0.449 ( 0.000 18.239 0.000) 18.239 0.672 ( 0.000 -2.102 0.000) 2.102 0.731 ( 0.000 3.563 0.000) 3.563 0.813 ( 0.000 -4.485 0.000) 4.485 1.072 ( 0.000 1.622 0.000) 1.622 1.092 ( 0.000 3.892 0.000) 3.892 1.163 ( 0.000 3.232 0.000) 3.232 1.186 ( 0.000 3.068 0.000) 3.068 1.201 ( 0.000 2.277 0.000) 2.277 1.232 ( 0.000 3.072 0.000) 3.072 1.353 ( 0.000 -5.114 0.000) 5.114 1.484 ( 0.000 4.032 0.000) 4.032 1.504 ( 0.000 4.141 0.000) 4.141 1.519 ( 0.000 2.505 0.000) 2.505 1.585 ( 0.000 1.452 0.000) 1.452 1.640 ( 0.000 6.602 0.000) 6.602 1.956 ( 0.000 -0.432 0.000) 0.432 1.962 ( 0.000 -1.099 0.000) 1.099 2.146 ( 0.000 1.214 0.000) 1.214 2.415 ( 0.000 -4.838 0.000) 4.838 2.447 ( 0.000 -1.137 0.000) 1.137 2.585 ( 0.000 -1.216 0.000) 1.216 2.821 ( 0.000 -1.550 0.000) 1.550 2.915 ( 0.000 2.228 0.000) 2.228 2.931 ( 0.000 5.480 0.000) 5.480 3.216 ( 0.000 -2.452 0.000) 2.452 3.641 ( 0.000 43.209 0.000) 43.209 3.691 ( 0.000 1.649 0.000) 1.649 3.781 ( 0.000 22.223 0.000) 22.223 3.947 ( 0.000 -0.976 0.000) 0.976 5.675 ( 0.000 24.614 0.000) 24.614 5.765 ( 0.000 25.418 0.000) 25.418 5.903 ( 0.000 -7.365 0.000) 7.365 6.045 ( 0.000 -3.692 0.000) 3.692 6.157 ( 0.000 -6.526 0.000) 6.526 6.904 ( 0.000 -10.450 0.000) 10.450 7.040 ( 0.000 -5.636 0.000) 5.636 7.190 ( 0.000 12.590 0.000) 12.590 7.281 ( 0.000 2.439 0.000) 2.439 7.328 ( 0.000 9.012 0.000) 9.012 7.407 ( 0.000 3.893 0.000) 3.893 7.806 ( 0.000 -1.896 0.000) 1.896 7.923 ( 0.000 7.226 0.000) 7.226 7.944 ( 0.000 15.213 0.000) 15.213 8.073 ( 0.000 19.172 0.000) 19.172 8.231 ( 0.000 2.272 0.000) 2.272 8.627 ( 0.000 -0.772 0.000) 0.772 8.820 ( 0.000 -4.233 0.000) 4.233 9.286 ( 0.000 -0.855 0.000) 0.855 9.546 ( 0.000 4.047 0.000) 4.047 10.022 ( 0.000 -3.191 0.000) 3.191 10.687 ( 0.000 -2.493 0.000) 2.493 10.857 ( 0.000 0.063 0.000) 0.063 11.818 ( 0.000 -12.663 0.000) 12.663 14.105 ( 0.000 6.633 0.000) 6.633 15.053 ( 0.000 -7.531 0.000) 7.531 15.393 ( 0.000 26.937 0.000) 26.937 15.397 ( 0.000 -22.549 0.000) 22.549 16.008 ( 0.000 -35.317 0.000) 35.317 17.951 ( 0.000 0.469 0.000) 0.469 18.547 ( 0.000 -11.019 0.000) 11.019 18.818 ( 0.000 5.242 0.000) 5.242 19.097 ( 0.000 -20.553 0.000) 20.553 19.841 ( 0.000 25.021 0.000) 25.021 20.367 ( 0.000 -6.845 0.000) 6.845 20.383 ( 0.000 27.856 0.000) 27.856 21.454 ( 0.000 7.896 0.000) 7.896 22.073 ( 0.000 -4.511 0.000) 4.511 23.146 ( 0.000 -0.502 0.000) 0.502 23.212 ( 0.000 -1.442 0.000) 1.442 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( 6.561 6.564 0.000) 9.281 0.347 ( 6.254 9.908 0.000) 11.717 0.593 ( -2.263 0.208 0.000) 2.273 0.688 ( 11.877 9.348 0.000) 15.114 0.785 ( -2.382 -3.724 0.000) 4.421 0.822 ( 6.836 4.821 0.000) 8.365 0.924 ( -10.956 3.514 0.000) 11.506 1.070 ( -0.281 1.470 0.000) 1.497 1.145 ( -2.946 2.033 0.000) 3.580 1.179 ( 0.013 4.168 0.000) 4.168 1.202 ( -0.689 3.123 0.000) 3.199 1.303 ( 2.590 2.074 0.000) 3.318 1.374 ( 1.699 -3.661 0.000) 4.036 1.470 ( -1.185 2.827 0.000) 3.065 1.483 ( -4.808 5.969 0.000) 7.665 1.493 ( -2.174 1.386 0.000) 2.578 1.546 ( -3.757 6.036 0.000) 7.110 1.563 ( -1.167 2.274 0.000) 2.556 1.973 ( 1.434 -0.571 0.000) 1.544 1.979 ( 1.416 -1.039 0.000) 1.756 2.166 ( 1.551 0.269 0.000) 1.574 2.300 ( -6.129 -1.975 0.000) 6.439 2.539 ( 4.577 -3.705 0.000) 5.889 2.588 ( 1.408 0.570 0.000) 1.519 2.763 ( -3.232 -3.379 0.000) 4.676 2.823 ( -4.636 2.419 0.000) 5.229 3.101 ( 11.071 6.047 0.000) 12.615 3.393 ( 10.598 -2.732 0.000) 10.945 3.538 ( -8.290 29.346 0.000) 30.494 3.682 ( -2.810 10.450 0.000) 10.821 3.806 ( 3.961 10.549 0.000) 11.268 3.981 ( -0.025 -0.796 0.000) 0.796 5.698 ( 2.095 25.271 0.000) 25.358 5.768 ( -0.288 25.313 0.000) 25.315 5.891 ( -0.970 -7.018 0.000) 7.085 5.923 ( -4.262 -6.338 0.000) 7.637 6.428 ( 15.719 -7.959 0.000) 17.619 6.853 ( -5.081 -10.152 0.000) 11.353 7.126 ( 5.889 -3.649 0.000) 6.927 7.189 ( -0.125 10.994 0.000) 10.994 7.314 ( 5.199 5.184 0.000) 7.342 7.345 ( 1.437 6.519 0.000) 6.675 7.399 ( -0.793 4.006 0.000) 4.084 7.741 ( -6.762 -0.881 0.000) 6.820 7.931 ( 0.774 8.033 0.000) 8.070 7.951 ( 0.356 13.601 0.000) 13.606 8.102 ( 3.354 22.170 0.000) 22.423 8.215 ( -1.160 1.640 0.000) 2.009 8.416 ( -11.115 0.805 0.000) 11.144 8.751 ( -31.165 40.097 0.000) 50.784 9.057 ( 14.516 -5.443 0.000) 15.503 9.529 ( -6.312 -9.680 0.000) 11.556 10.116 ( 9.118 -2.931 0.000) 9.577 10.590 ( -9.143 -2.610 0.000) 9.508 11.010 ( 13.909 -2.618 0.000) 14.153 11.681 ( -12.809 -10.990 0.000) 16.878 14.122 ( 2.022 7.488 0.000) 7.757 14.569 ( -28.330 10.924 0.000) 30.363 15.400 ( 0.703 26.365 0.000) 26.375 15.427 ( 0.404 11.661 0.000) 11.668 16.100 ( 8.492 -35.064 0.000) 36.078 16.791 ( -39.405 5.035 0.000) 39.725 18.576 ( 2.726 -9.537 0.000) 9.919 18.712 ( -2.890 -4.125 0.000) 5.037 19.559 ( 9.313 -2.654 0.000) 9.684 19.769 ( -5.583 17.421 0.000) 18.294 20.388 ( 1.331 4.495 0.000) 4.688 20.403 ( 0.611 20.857 0.000) 20.866 21.633 ( 16.269 1.686 0.000) 16.356 22.281 ( -1.368 -21.171 0.000) 21.216 23.189 ( 3.571 -2.176 0.000) 4.182 23.224 ( 0.908 -1.774 0.000) 1.992 ======================= Grid point 7 (6/63) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -2.351 1.305 0.000) 2.689 0.425 ( 2.351 1.305 0.000) 2.689 0.661 ( -9.787 2.711 0.000) 10.156 0.661 ( 9.787 2.711 0.000) 10.156 0.788 ( -1.342 -0.623 0.000) 1.480 0.788 ( 1.342 -0.623 0.000) 1.480 1.042 ( -6.188 3.876 0.000) 7.302 1.042 ( 6.188 3.876 0.000) 7.302 1.140 ( -7.757 5.328 0.000) 9.410 1.140 ( 7.757 5.328 0.000) 9.410 1.195 ( -1.959 4.886 0.000) 5.264 1.195 ( 1.959 4.886 0.000) 5.264 1.437 ( -3.433 1.729 0.000) 3.844 1.437 ( 3.433 1.729 0.000) 3.844 1.444 ( -1.118 0.734 0.000) 1.337 1.444 ( 1.118 0.734 0.000) 1.337 1.542 ( -0.920 2.976 0.000) 3.115 1.542 ( 0.920 2.976 0.000) 3.115 1.996 ( -0.239 -0.891 0.000) 0.923 1.996 ( 0.239 -0.891 0.000) 0.923 2.206 ( -2.920 -0.790 0.000) 3.025 2.206 ( 2.920 -0.790 0.000) 3.025 2.609 ( -1.377 -2.970 0.000) 3.274 2.609 ( 1.377 -2.970 0.000) 3.274 2.739 ( -2.268 -0.127 0.000) 2.271 2.739 ( 2.268 -0.127 0.000) 2.271 3.335 ( -11.307 11.400 0.000) 16.056 3.335 ( 11.307 11.400 0.000) 16.056 3.574 ( -7.284 11.489 0.000) 13.603 3.574 ( 7.284 11.489 0.000) 13.603 3.916 ( -5.495 1.640 0.000) 5.734 3.916 ( 5.495 1.640 0.000) 5.734 5.744 ( -2.001 25.828 0.000) 25.905 5.744 ( 2.001 25.828 0.000) 25.905 5.880 ( -0.377 -6.497 0.000) 6.508 5.880 ( 0.377 -6.497 0.000) 6.508 6.696 ( -10.507 -9.393 0.000) 14.093 6.696 ( 10.507 -9.393 0.000) 14.093 7.183 ( -0.715 5.893 0.000) 5.936 7.183 ( 0.715 5.893 0.000) 5.936 7.376 ( -1.432 4.622 0.000) 4.838 7.376 ( 1.432 4.622 0.000) 4.838 7.529 ( -13.196 1.404 0.000) 13.270 7.529 ( 13.196 1.404 0.000) 13.270 7.948 ( -0.688 10.503 0.000) 10.526 7.948 ( 0.688 10.503 0.000) 10.526 8.194 ( -2.370 8.910 0.000) 9.220 8.194 ( 2.370 8.910 0.000) 9.220 8.337 ( -8.070 26.537 0.000) 27.737 8.337 ( 8.070 26.537 0.000) 27.737 9.332 ( -12.264 -8.208 0.000) 14.757 9.332 ( 12.264 -8.208 0.000) 14.757 10.353 ( -13.054 -2.824 0.000) 13.356 10.353 ( 13.054 -2.824 0.000) 13.356 11.351 ( -18.233 -7.110 0.000) 19.570 11.351 ( 18.233 -7.110 0.000) 19.570 14.216 ( -8.732 11.141 0.000) 14.155 14.216 ( 8.732 11.141 0.000) 14.155 15.418 ( -0.902 23.811 0.000) 23.828 15.418 ( 0.902 23.811 0.000) 23.828 16.330 ( -14.415 -28.831 0.000) 32.234 16.330 ( 14.415 -28.831 0.000) 32.234 18.645 ( -3.703 -6.606 0.000) 7.573 18.645 ( 3.703 -6.606 0.000) 7.573 19.666 ( -4.275 8.807 0.000) 9.789 19.666 ( 4.275 8.807 0.000) 9.789 20.405 ( -0.357 15.735 0.000) 15.739 20.405 ( 0.357 15.735 0.000) 15.739 22.020 ( -19.420 -9.044 0.000) 21.422 22.020 ( 19.420 -9.044 0.000) 21.422 23.233 ( -0.492 -2.579 0.000) 2.625 23.233 ( 0.492 -2.579 0.000) 2.625 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 0.000 11.583 0.000) 11.583 0.616 ( 0.000 2.501 0.000) 2.501 0.645 ( 0.000 1.911 0.000) 1.911 0.693 ( 0.000 13.413 0.000) 13.413 0.744 ( 0.000 -1.456 0.000) 1.456 0.986 ( 0.000 17.216 0.000) 17.216 1.124 ( 0.000 3.343 0.000) 3.343 1.152 ( 0.000 2.151 0.000) 2.151 1.221 ( 0.000 1.997 0.000) 1.997 1.233 ( 0.000 0.485 0.000) 0.485 1.252 ( 0.000 -1.988 0.000) 1.988 1.269 ( 0.000 0.410 0.000) 0.410 1.284 ( 0.000 4.943 0.000) 4.943 1.579 ( 0.000 3.371 0.000) 3.371 1.597 ( 0.000 4.774 0.000) 4.774 1.604 ( 0.000 6.078 0.000) 6.078 1.634 ( 0.000 4.906 0.000) 4.906 1.810 ( 0.000 9.152 0.000) 9.152 1.933 ( 0.000 -1.636 0.000) 1.636 1.941 ( 0.000 -1.037 0.000) 1.037 2.179 ( 0.000 1.791 0.000) 1.791 2.339 ( 0.000 -2.600 0.000) 2.600 2.426 ( 0.000 -0.604 0.000) 0.604 2.677 ( 0.000 3.791 0.000) 3.791 2.830 ( 0.000 7.663 0.000) 7.663 2.981 ( 0.000 1.716 0.000) 1.716 3.012 ( 0.000 7.597 0.000) 7.597 3.203 ( 0.000 1.446 0.000) 1.446 3.786 ( 0.000 8.005 0.000) 8.005 3.961 ( 0.000 3.493 0.000) 3.493 4.414 ( 0.000 35.398 0.000) 35.398 4.589 ( 0.000 46.871 0.000) 46.871 5.704 ( 0.000 -11.923 0.000) 11.923 5.941 ( 0.000 -6.100 0.000) 6.100 5.965 ( 0.000 -12.160 0.000) 12.160 6.203 ( 0.000 23.046 0.000) 23.046 6.294 ( 0.000 22.250 0.000) 22.250 6.626 ( 0.000 -16.124 0.000) 16.124 6.935 ( 0.000 -4.003 0.000) 4.003 7.301 ( 0.000 -0.563 0.000) 0.563 7.469 ( 0.000 11.595 0.000) 11.595 7.494 ( 0.000 4.257 0.000) 4.257 7.499 ( 0.000 6.072 0.000) 6.072 7.789 ( 0.000 2.628 0.000) 2.628 8.278 ( 0.000 29.155 0.000) 29.155 8.312 ( 0.000 5.827 0.000) 5.827 8.429 ( 0.000 32.948 0.000) 32.948 8.529 ( 0.000 17.129 0.000) 17.129 8.617 ( 0.000 0.149 0.000) 0.149 8.792 ( 0.000 8.532 0.000) 8.532 9.284 ( 0.000 1.743 0.000) 1.743 9.640 ( 0.000 4.544 0.000) 4.544 9.933 ( 0.000 -5.186 0.000) 5.186 10.619 ( 0.000 -3.980 0.000) 3.980 10.882 ( 0.000 3.160 0.000) 3.160 11.500 ( 0.000 -16.764 0.000) 16.764 14.161 ( 0.000 -1.352 0.000) 1.352 14.794 ( 0.000 -34.534 0.000) 34.534 14.842 ( 0.000 -12.876 0.000) 12.876 15.146 ( 0.000 -45.823 0.000) 45.823 16.125 ( 0.000 40.610 0.000) 40.610 17.928 ( 0.000 -2.988 0.000) 2.988 18.384 ( 0.000 -5.692 0.000) 5.692 18.755 ( 0.000 -13.448 0.000) 13.448 18.971 ( 0.000 9.304 0.000) 9.304 20.188 ( 0.000 -9.989 0.000) 9.989 20.208 ( 0.000 9.524 0.000) 9.524 20.805 ( 0.000 9.930 0.000) 9.930 21.739 ( 0.000 19.643 0.000) 19.643 22.037 ( 0.000 3.936 0.000) 3.936 23.141 ( 0.000 0.185 0.000) 0.185 23.186 ( 0.000 -0.793 0.000) 0.793 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 1.436 9.255 0.000) 9.366 0.537 ( -2.702 5.212 0.000) 5.871 0.669 ( 0.636 6.333 0.000) 6.365 0.734 ( -0.703 -0.462 0.000) 0.841 0.762 ( 4.526 5.544 0.000) 7.157 1.007 ( -9.229 4.702 0.000) 10.358 1.075 ( 7.459 13.778 0.000) 15.668 1.123 ( -0.637 3.522 0.000) 3.579 1.169 ( -3.012 0.237 0.000) 3.021 1.242 ( -0.616 0.264 0.000) 0.671 1.267 ( 1.879 4.038 0.000) 4.453 1.290 ( 2.115 -1.840 0.000) 2.804 1.370 ( 3.566 4.069 0.000) 5.410 1.495 ( -5.810 2.176 0.000) 6.205 1.597 ( -0.026 5.126 0.000) 5.126 1.611 ( -0.580 8.070 0.000) 8.091 1.635 ( 0.069 4.289 0.000) 4.290 1.731 ( -6.376 10.468 0.000) 12.257 1.952 ( 1.538 -1.487 0.000) 2.139 1.955 ( 1.178 -1.168 0.000) 1.659 2.191 ( 0.866 1.699 0.000) 1.907 2.273 ( -4.211 -0.546 0.000) 4.246 2.481 ( 3.703 -1.909 0.000) 4.166 2.636 ( -3.758 -0.643 0.000) 3.813 2.811 ( 0.075 12.123 0.000) 12.124 2.927 ( -3.386 7.670 0.000) 8.384 3.110 ( 6.687 -0.145 0.000) 6.689 3.244 ( 2.069 -3.168 0.000) 3.784 3.808 ( 1.900 7.148 0.000) 7.396 3.922 ( -3.298 4.951 0.000) 5.949 4.415 ( 0.438 37.491 0.000) 37.494 4.536 ( -4.410 45.433 0.000) 45.647 5.700 ( -0.248 -11.468 0.000) 11.471 5.768 ( -5.714 -9.001 0.000) 10.662 6.208 ( 10.654 -7.252 0.000) 12.888 6.230 ( 2.238 22.621 0.000) 22.732 6.308 ( 2.252 17.250 0.000) 17.396 6.584 ( -4.168 -15.445 0.000) 15.997 7.058 ( 10.358 -2.277 0.000) 10.605 7.350 ( 4.643 -0.188 0.000) 4.647 7.408 ( -5.194 7.479 0.000) 9.106 7.497 ( -0.564 4.999 0.000) 5.031 7.536 ( 3.666 8.597 0.000) 9.346 7.765 ( -2.994 5.634 0.000) 6.380 8.241 ( -2.609 11.954 0.000) 12.235 8.327 ( 1.037 21.583 0.000) 21.608 8.348 ( -10.261 0.981 0.000) 10.308 8.399 ( -2.615 31.005 0.000) 31.115 8.734 ( 9.782 28.336 0.000) 29.977 8.955 ( 11.079 -2.609 0.000) 11.382 9.220 ( -6.694 8.134 0.000) 10.534 9.463 ( -14.934 6.435 0.000) 16.262 10.038 ( 9.683 -4.433 0.000) 10.650 10.520 ( -9.237 -3.934 0.000) 10.040 10.964 ( 8.046 -0.796 0.000) 8.085 11.406 ( -8.808 -14.346 0.000) 16.834 14.179 ( 2.139 -1.969 0.000) 2.907 14.502 ( -14.845 -12.534 0.000) 19.429 15.055 ( 8.275 -32.685 0.000) 33.716 15.162 ( 1.019 -45.007 0.000) 45.018 16.213 ( 9.242 40.044 0.000) 41.096 17.242 ( -44.510 24.360 0.000) 50.740 18.423 ( 3.613 -5.928 0.000) 6.942 18.600 ( -4.604 -6.540 0.000) 7.998 19.421 ( 19.212 -6.154 0.000) 20.173 19.912 ( -12.373 -1.138 0.000) 12.425 20.499 ( 13.354 2.116 0.000) 13.520 20.791 ( -1.840 9.562 0.000) 9.737 21.798 ( 5.638 15.447 0.000) 16.444 22.047 ( -1.352 0.163 0.000) 1.362 23.161 ( 1.662 -0.578 0.000) 1.759 23.190 ( 0.295 -1.102 0.000) 1.140 ======================= Grid point 12 (9/63) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -0.703 5.512 0.000) 5.556 0.509 ( 0.703 5.512 0.000) 5.556 0.712 ( -2.243 2.477 0.000) 3.342 0.712 ( 2.243 2.477 0.000) 3.342 0.848 ( -5.462 6.734 0.000) 8.671 0.848 ( 5.462 6.734 0.000) 8.671 1.120 ( -0.864 2.827 0.000) 2.956 1.120 ( 0.864 2.827 0.000) 2.956 1.213 ( -3.612 2.884 0.000) 4.623 1.213 ( 3.612 2.884 0.000) 4.623 1.313 ( -1.703 4.632 0.000) 4.935 1.313 ( 1.703 4.632 0.000) 4.935 1.399 ( -2.175 1.804 0.000) 2.826 1.399 ( 2.175 1.804 0.000) 2.826 1.598 ( -0.331 7.753 0.000) 7.760 1.598 ( 0.331 7.753 0.000) 7.760 1.642 ( -1.414 7.210 0.000) 7.347 1.642 ( 1.414 7.210 0.000) 7.347 1.972 ( -0.013 -1.408 0.000) 1.408 1.972 ( 0.013 -1.408 0.000) 1.408 2.211 ( -1.659 1.076 0.000) 1.978 2.211 ( 1.659 1.076 0.000) 1.978 2.556 ( -3.771 -2.464 0.000) 4.505 2.556 ( 3.771 -2.464 0.000) 4.505 2.853 ( -3.506 11.295 0.000) 11.827 2.853 ( 3.506 11.295 0.000) 11.827 3.229 ( -3.923 -5.204 0.000) 6.517 3.229 ( 3.923 -5.204 0.000) 6.517 3.856 ( -2.874 6.429 0.000) 7.042 3.856 ( 2.874 6.429 0.000) 7.042 4.450 ( -3.304 41.837 0.000) 41.967 4.450 ( 3.304 41.837 0.000) 41.967 5.705 ( -1.176 -10.329 0.000) 10.396 5.705 ( 1.176 -10.329 0.000) 10.396 6.270 ( -1.085 20.457 0.000) 20.486 6.270 ( 1.085 20.457 0.000) 20.486 6.456 ( -8.403 -12.576 0.000) 15.125 6.456 ( 8.403 -12.576 0.000) 15.125 7.266 ( -8.914 2.252 0.000) 9.194 7.266 ( 8.914 2.252 0.000) 9.194 7.453 ( -4.160 1.162 0.000) 4.319 7.453 ( 4.160 1.162 0.000) 4.319 7.651 ( -7.284 10.913 0.000) 13.120 7.651 ( 7.284 10.913 0.000) 13.120 8.219 ( -1.742 2.471 0.000) 3.023 8.219 ( 1.742 2.471 0.000) 3.023 8.355 ( -1.784 28.332 0.000) 28.388 8.355 ( 1.784 28.332 0.000) 28.388 8.993 ( -14.615 29.586 0.000) 32.999 8.993 ( 14.615 29.586 0.000) 32.999 9.180 ( -11.628 -5.264 0.000) 12.764 9.180 ( 11.628 -5.264 0.000) 12.764 10.282 ( -13.211 -3.926 0.000) 13.782 10.282 ( 13.211 -3.926 0.000) 13.782 11.181 ( -12.222 -8.241 0.000) 14.741 11.181 ( 12.222 -8.241 0.000) 14.741 14.270 ( -7.614 -4.583 0.000) 8.887 14.270 ( 7.614 -4.583 0.000) 8.887 15.157 ( -2.153 -40.611 0.000) 40.668 15.157 ( 2.153 -40.611 0.000) 40.668 16.538 ( -24.344 36.945 0.000) 44.245 16.538 ( 24.344 36.945 0.000) 44.245 18.511 ( -4.578 -6.471 0.000) 7.926 18.511 ( 4.578 -6.471 0.000) 7.926 19.692 ( -10.330 -3.092 0.000) 10.783 19.692 ( 10.330 -3.092 0.000) 10.783 20.707 ( -7.020 6.604 0.000) 9.638 20.707 ( 7.020 6.604 0.000) 9.638 21.945 ( -7.724 5.436 0.000) 9.445 21.945 ( 7.724 5.436 0.000) 9.445 23.188 ( -0.718 -1.433 0.000) 1.603 23.188 ( 0.718 -1.433 0.000) 1.603 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.000 3.853 0.000) 3.853 0.693 ( 0.000 10.189 0.000) 10.189 0.708 ( 0.000 5.160 0.000) 5.160 0.770 ( 0.000 3.782 0.000) 3.782 0.926 ( 0.000 8.048 0.000) 8.048 1.185 ( 0.000 1.985 0.000) 1.985 1.194 ( 0.000 2.292 0.000) 2.292 1.222 ( 0.000 -1.316 0.000) 1.316 1.248 ( 0.000 1.296 0.000) 1.296 1.262 ( 0.000 -0.535 0.000) 0.535 1.276 ( 0.000 5.507 0.000) 5.507 1.303 ( 0.000 13.375 0.000) 13.375 1.418 ( 0.000 6.819 0.000) 6.819 1.602 ( 0.000 0.221 0.000) 0.221 1.693 ( 0.000 4.782 0.000) 4.782 1.754 ( 0.000 7.648 0.000) 7.648 1.787 ( 0.000 8.592 0.000) 8.592 1.888 ( 0.000 -2.145 0.000) 2.145 1.923 ( 0.000 -0.066 0.000) 0.066 1.991 ( 0.000 7.527 0.000) 7.527 2.209 ( 0.000 1.036 0.000) 1.036 2.306 ( 0.000 -0.627 0.000) 0.627 2.431 ( 0.000 1.189 0.000) 1.189 2.634 ( 0.000 -4.744 0.000) 4.744 3.060 ( 0.000 6.459 0.000) 6.459 3.167 ( 0.000 20.484 0.000) 20.484 3.211 ( 0.000 11.378 0.000) 11.378 3.256 ( 0.000 3.214 0.000) 3.214 4.010 ( 0.000 13.615 0.000) 13.615 4.126 ( 0.000 12.982 0.000) 12.982 5.062 ( 0.000 26.016 0.000) 26.016 5.426 ( 0.000 33.348 0.000) 33.348 5.432 ( 0.000 -14.429 0.000) 14.429 5.674 ( 0.000 -16.000 0.000) 16.000 5.811 ( 0.000 -6.053 0.000) 6.053 6.255 ( 0.000 -17.557 0.000) 17.557 6.547 ( 0.000 9.059 0.000) 9.059 6.601 ( 0.000 8.359 0.000) 8.359 6.901 ( 0.000 0.990 0.000) 0.990 7.272 ( 0.000 -1.677 0.000) 1.677 7.539 ( 0.000 -2.415 0.000) 2.415 7.567 ( 0.000 2.807 0.000) 2.807 7.590 ( 0.000 3.725 0.000) 3.725 8.012 ( 0.000 16.529 0.000) 16.529 8.456 ( 0.000 7.863 0.000) 7.863 8.578 ( 0.000 -3.162 0.000) 3.162 8.649 ( 0.000 3.383 0.000) 3.383 8.904 ( 0.000 23.084 0.000) 23.084 9.236 ( 0.000 43.383 0.000) 43.383 9.266 ( 0.000 26.269 0.000) 26.269 9.427 ( 0.000 11.360 0.000) 11.360 9.711 ( 0.000 2.346 0.000) 2.346 9.887 ( 0.000 7.419 0.000) 7.419 10.542 ( 0.000 -2.799 0.000) 2.799 11.007 ( 0.000 9.269 0.000) 9.269 11.227 ( 0.000 -7.874 0.000) 7.874 14.071 ( 0.000 -6.809 0.000) 6.809 14.089 ( 0.000 -32.810 0.000) 32.810 14.263 ( 0.000 -39.098 0.000) 39.098 14.546 ( 0.000 -15.871 0.000) 15.871 16.883 ( 0.000 31.830 0.000) 31.830 17.842 ( 0.000 -4.912 0.000) 4.912 18.290 ( 0.000 -3.982 0.000) 3.982 18.525 ( 0.000 -9.907 0.000) 9.907 19.164 ( 0.000 9.054 0.000) 9.054 19.994 ( 0.000 -8.480 0.000) 8.480 20.269 ( 0.000 -1.693 0.000) 1.693 20.760 ( 0.000 -11.421 0.000) 11.421 22.171 ( 0.000 20.831 0.000) 20.831 22.254 ( 0.000 14.965 0.000) 14.965 23.154 ( 0.000 0.864 0.000) 0.864 23.187 ( 0.000 0.821 0.000) 0.821 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -1.246 6.188 0.000) 6.312 0.673 ( -1.724 8.914 0.000) 9.079 0.749 ( 2.031 3.883 0.000) 4.383 0.777 ( 0.462 4.203 0.000) 4.228 0.946 ( 2.079 8.351 0.000) 8.606 1.104 ( -5.138 4.299 0.000) 6.699 1.149 ( -3.244 -0.808 0.000) 3.343 1.182 ( -3.523 1.613 0.000) 3.875 1.243 ( 1.348 0.784 0.000) 1.560 1.261 ( 0.620 2.825 0.000) 2.892 1.327 ( 3.367 5.228 0.000) 6.219 1.390 ( 4.956 8.846 0.000) 10.140 1.469 ( 3.081 5.281 0.000) 6.114 1.551 ( -4.328 2.728 0.000) 5.116 1.698 ( 0.580 4.973 0.000) 5.007 1.741 ( -1.078 6.146 0.000) 6.240 1.793 ( 0.629 8.943 0.000) 8.965 1.890 ( -1.117 0.680 0.000) 1.307 1.935 ( 0.967 -0.181 0.000) 0.983 1.959 ( -1.740 6.206 0.000) 6.446 2.221 ( 0.875 1.133 0.000) 1.431 2.274 ( -2.412 0.525 0.000) 2.469 2.464 ( 2.584 0.100 0.000) 2.586 2.590 ( -3.550 -3.140 0.000) 4.739 3.077 ( 1.756 6.450 0.000) 6.685 3.155 ( -1.120 18.214 0.000) 18.248 3.217 ( 0.297 10.917 0.000) 10.921 3.243 ( -1.102 3.319 0.000) 3.498 4.017 ( 0.710 13.189 0.000) 13.208 4.094 ( -2.643 12.692 0.000) 12.964 5.100 ( 3.837 27.403 0.000) 27.670 5.361 ( -6.202 33.275 0.000) 33.848 5.439 ( 0.755 -13.766 0.000) 13.787 5.551 ( -6.032 -12.387 0.000) 13.777 5.968 ( 9.444 -11.832 0.000) 15.139 6.227 ( -2.910 -16.891 0.000) 17.140 6.564 ( 1.286 8.620 0.000) 8.715 6.585 ( -0.441 6.760 0.000) 6.775 7.059 ( 12.395 2.592 0.000) 12.663 7.325 ( 4.989 -1.658 0.000) 5.258 7.475 ( -5.940 -0.032 0.000) 5.940 7.545 ( -2.830 0.747 0.000) 2.927 7.671 ( 7.807 5.075 0.000) 9.312 8.005 ( -1.728 15.240 0.000) 15.338 8.356 ( -10.150 0.729 0.000) 10.176 8.387 ( -5.673 7.453 0.000) 9.367 8.876 ( 11.664 -0.726 0.000) 11.686 8.937 ( 2.745 23.082 0.000) 23.244 9.139 ( -4.328 35.522 0.000) 35.785 9.348 ( -7.196 10.422 0.000) 12.664 9.390 ( 7.431 32.097 0.000) 32.946 9.679 ( -3.964 11.872 0.000) 12.516 9.982 ( 9.156 3.006 0.000) 9.637 10.448 ( -8.833 -2.308 0.000) 9.129 11.020 ( 1.706 6.887 0.000) 7.095 11.183 ( -4.058 -5.502 0.000) 6.837 14.050 ( -1.430 -12.371 0.000) 12.453 14.065 ( -1.883 -28.475 0.000) 28.537 14.310 ( 4.100 -33.994 0.000) 34.240 14.503 ( -3.911 -19.728 0.000) 20.112 16.953 ( 7.156 30.298 0.000) 31.131 17.575 ( -20.874 8.951 0.000) 22.712 18.320 ( 2.774 -4.472 0.000) 5.263 18.464 ( -3.814 -6.739 0.000) 7.743 19.367 ( 14.158 0.566 0.000) 14.169 19.841 ( -10.488 -4.359 0.000) 11.358 20.431 ( 10.968 -7.129 0.000) 13.081 20.734 ( -2.945 -11.800 0.000) 12.162 22.184 ( 1.205 19.852 0.000) 19.889 22.245 ( -0.988 15.298 0.000) 15.330 23.163 ( 0.801 0.577 0.000) 0.987 23.186 ( -0.144 0.587 0.000) 0.604 ======================= Grid point 17 (12/63) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -1.057 7.689 0.000) 7.762 0.640 ( 1.057 7.689 0.000) 7.762 0.776 ( -0.675 3.940 0.000) 3.997 0.776 ( 0.675 3.940 0.000) 3.997 1.008 ( -4.003 7.839 0.000) 8.802 1.008 ( 4.003 7.839 0.000) 8.802 1.126 ( -1.136 -1.242 0.000) 1.683 1.126 ( 1.136 -1.242 0.000) 1.683 1.268 ( -0.363 1.846 0.000) 1.881 1.268 ( 0.363 1.846 0.000) 1.881 1.405 ( -3.972 5.275 0.000) 6.603 1.405 ( 3.972 5.275 0.000) 6.603 1.500 ( -0.057 6.266 0.000) 6.266 1.500 ( 0.057 6.266 0.000) 6.266 1.717 ( -1.207 5.260 0.000) 5.396 1.717 ( 1.207 5.260 0.000) 5.396 1.828 ( -3.187 8.355 0.000) 8.942 1.828 ( 3.187 8.355 0.000) 8.942 1.950 ( -0.273 0.314 0.000) 0.416 1.950 ( 0.273 0.314 0.000) 0.416 2.237 ( -0.993 1.298 0.000) 1.634 2.237 ( 0.993 1.298 0.000) 1.634 2.521 ( -3.046 -1.221 0.000) 3.281 2.521 ( 3.046 -1.221 0.000) 3.281 3.122 ( -2.202 10.759 0.000) 10.982 3.122 ( 2.202 10.759 0.000) 10.982 3.223 ( -0.585 7.472 0.000) 7.495 3.223 ( 0.585 7.472 0.000) 7.495 4.043 ( -2.024 12.611 0.000) 12.772 4.043 ( 2.024 12.611 0.000) 12.772 5.214 ( -7.154 30.292 0.000) 31.125 5.214 ( 7.154 30.292 0.000) 31.125 5.469 ( -2.485 -12.280 0.000) 12.529 5.469 ( 2.485 -12.280 0.000) 12.529 6.132 ( -6.513 -14.923 0.000) 16.282 6.132 ( 6.513 -14.923 0.000) 16.282 6.582 ( -0.335 7.427 0.000) 7.435 6.582 ( 0.335 7.427 0.000) 7.435 7.305 ( -10.740 1.946 0.000) 10.915 7.305 ( 10.740 1.946 0.000) 10.915 7.448 ( -6.282 -0.981 0.000) 6.359 7.448 ( 6.282 -0.981 0.000) 6.359 7.873 ( -10.591 9.061 0.000) 13.938 7.873 ( 10.591 9.061 0.000) 13.938 8.285 ( -2.816 5.599 0.000) 6.267 8.285 ( 2.816 5.599 0.000) 6.267 8.993 ( -1.734 17.240 0.000) 17.327 8.993 ( 1.734 17.240 0.000) 17.327 9.170 ( -8.872 15.300 0.000) 17.686 9.170 ( 8.872 15.300 0.000) 17.686 9.550 ( -7.978 25.661 0.000) 26.872 9.550 ( 7.978 25.661 0.000) 26.872 10.218 ( -12.822 -0.839 0.000) 12.849 10.218 ( 12.822 -0.839 0.000) 12.849 11.087 ( -4.657 0.574 0.000) 4.692 11.087 ( 4.657 0.574 0.000) 4.692 14.037 ( -0.467 -20.164 0.000) 20.169 14.037 ( 0.467 -20.164 0.000) 20.169 14.407 ( -5.139 -27.122 0.000) 27.604 14.407 ( 5.139 -27.122 0.000) 27.604 17.184 ( -15.870 24.008 0.000) 28.779 17.184 ( 15.870 24.008 0.000) 28.779 18.389 ( -3.693 -5.497 0.000) 6.622 18.389 ( 3.693 -5.497 0.000) 6.622 19.624 ( -11.241 -2.731 0.000) 11.568 19.624 ( 11.241 -2.731 0.000) 11.568 20.627 ( -7.720 -10.975 0.000) 13.418 20.627 ( 7.720 -10.975 0.000) 13.418 22.216 ( -1.771 17.344 0.000) 17.434 22.216 ( 1.771 17.344 0.000) 17.434 23.179 ( -0.621 0.314 0.000) 0.696 23.179 ( 0.621 0.314 0.000) 0.696 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 0.000 5.451 0.000) 5.451 0.841 ( 0.000 7.250 0.000) 7.250 0.871 ( 0.000 5.366 0.000) 5.366 0.875 ( 0.000 7.775 0.000) 7.775 1.014 ( 0.000 1.399 0.000) 1.399 1.187 ( 0.000 -2.041 0.000) 2.041 1.215 ( 0.000 1.055 0.000) 1.055 1.249 ( 0.000 2.381 0.000) 2.381 1.271 ( 0.000 2.313 0.000) 2.313 1.302 ( 0.000 4.129 0.000) 4.129 1.416 ( 0.000 6.600 0.000) 6.600 1.510 ( 0.000 5.940 0.000) 5.940 1.533 ( 0.000 4.253 0.000) 4.253 1.620 ( 0.000 2.850 0.000) 2.850 1.803 ( 0.000 6.224 0.000) 6.224 1.829 ( 0.000 -0.282 0.000) 0.282 1.839 ( 0.000 -2.584 0.000) 2.584 1.953 ( 0.000 7.353 0.000) 7.353 2.001 ( 0.000 7.065 0.000) 7.065 2.102 ( 0.000 2.908 0.000) 2.908 2.220 ( 0.000 0.160 0.000) 0.160 2.324 ( 0.000 2.820 0.000) 2.820 2.470 ( 0.000 2.432 0.000) 2.432 2.526 ( 0.000 -5.446 0.000) 5.446 3.233 ( 0.000 9.920 0.000) 9.920 3.333 ( 0.000 4.714 0.000) 4.714 3.443 ( 0.000 10.673 0.000) 10.673 3.558 ( 0.000 16.483 0.000) 16.483 4.302 ( 0.000 13.579 0.000) 13.579 4.447 ( 0.000 16.324 0.000) 16.324 5.117 ( 0.000 -15.124 0.000) 15.124 5.328 ( 0.000 -17.145 0.000) 17.145 5.453 ( 0.000 11.934 0.000) 11.934 5.741 ( 0.000 1.014 0.000) 1.014 5.922 ( 0.000 16.213 0.000) 16.213 5.934 ( 0.000 -12.219 0.000) 12.219 6.648 ( 0.000 2.045 0.000) 2.045 6.670 ( 0.000 -0.634 0.000) 0.634 6.959 ( 0.000 3.353 0.000) 3.353 7.257 ( 0.000 0.636 0.000) 0.636 7.459 ( 0.000 -4.926 0.000) 4.926 7.611 ( 0.000 1.894 0.000) 1.894 7.656 ( 0.000 2.373 0.000) 2.373 8.333 ( 0.000 11.127 0.000) 11.127 8.504 ( 0.000 -1.320 0.000) 1.320 8.610 ( 0.000 6.904 0.000) 6.904 8.760 ( 0.000 7.341 0.000) 7.341 9.187 ( 0.000 10.294 0.000) 10.294 9.423 ( 0.000 -8.497 0.000) 8.497 9.673 ( 0.000 13.177 0.000) 13.177 9.742 ( 0.000 1.060 0.000) 1.060 9.961 ( 0.000 20.136 0.000) 20.136 10.441 ( 0.000 35.388 0.000) 35.388 10.603 ( 0.000 13.410 0.000) 13.410 11.225 ( 0.000 6.405 0.000) 6.405 11.230 ( 0.000 11.161 0.000) 11.161 13.545 ( 0.000 -18.814 0.000) 18.814 13.635 ( 0.000 -21.014 0.000) 21.014 13.917 ( 0.000 -7.350 0.000) 7.350 14.221 ( 0.000 -15.440 0.000) 15.440 17.392 ( 0.000 18.879 0.000) 18.879 17.756 ( 0.000 -2.907 0.000) 2.907 18.212 ( 0.000 -3.901 0.000) 3.901 18.333 ( 0.000 -9.216 0.000) 9.216 19.331 ( 0.000 7.497 0.000) 7.497 19.860 ( 0.000 -4.549 0.000) 4.549 20.189 ( 0.000 -5.509 0.000) 5.509 20.459 ( 0.000 -16.361 0.000) 16.361 22.538 ( 0.000 14.977 0.000) 14.977 22.548 ( 0.000 12.753 0.000) 12.753 23.161 ( 0.000 -0.517 0.000) 0.517 23.203 ( 0.000 0.224 0.000) 0.224 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 0.945 6.706 0.000) 6.772 0.849 ( -1.614 8.149 0.000) 8.307 0.856 ( 0.964 6.509 0.000) 6.580 0.877 ( -0.249 5.160 0.000) 5.167 1.032 ( 2.080 0.700 0.000) 2.195 1.161 ( -1.796 1.331 0.000) 2.235 1.168 ( -2.915 2.195 0.000) 3.649 1.211 ( -4.358 1.630 0.000) 4.653 1.278 ( 1.272 2.663 0.000) 2.952 1.299 ( -0.030 2.593 0.000) 2.593 1.446 ( 2.177 5.022 0.000) 5.473 1.522 ( -0.173 2.791 0.000) 2.797 1.569 ( 3.027 4.359 0.000) 5.306 1.624 ( 0.646 5.217 0.000) 5.257 1.797 ( -0.057 3.564 0.000) 3.564 1.821 ( -0.804 0.294 0.000) 0.856 1.868 ( 1.984 0.148 0.000) 1.990 1.932 ( -1.545 5.884 0.000) 6.083 2.015 ( 1.223 7.052 0.000) 7.157 2.088 ( -1.399 4.295 0.000) 4.517 2.237 ( 1.419 0.694 0.000) 1.579 2.303 ( -1.841 2.761 0.000) 3.319 2.479 ( 0.759 1.235 0.000) 1.449 2.516 ( -0.886 -3.942 0.000) 4.041 3.232 ( 0.397 8.943 0.000) 8.952 3.307 ( -2.268 5.322 0.000) 5.785 3.462 ( 1.561 11.635 0.000) 11.740 3.539 ( -1.754 15.769 0.000) 15.866 4.309 ( 0.805 14.048 0.000) 14.071 4.407 ( -3.332 16.088 0.000) 16.430 5.131 ( 1.418 -14.819 0.000) 14.887 5.266 ( -4.764 -15.154 0.000) 15.885 5.511 ( 5.556 11.828 0.000) 13.068 5.755 ( -0.850 -1.017 0.000) 1.325 5.909 ( -0.876 15.175 0.000) 15.200 5.933 ( -0.261 -9.865 0.000) 9.869 6.624 ( -0.918 -1.688 0.000) 1.921 6.652 ( 0.171 1.400 0.000) 1.411 7.128 ( 11.769 2.801 0.000) 12.098 7.306 ( 4.714 0.201 0.000) 4.718 7.432 ( -2.843 -3.687 0.000) 4.656 7.562 ( -4.786 1.173 0.000) 4.928 7.742 ( 8.436 1.649 0.000) 8.595 8.235 ( -10.782 2.321 0.000) 11.029 8.434 ( -1.214 10.491 0.000) 10.561 8.548 ( -4.855 8.065 0.000) 9.414 8.904 ( 9.924 3.752 0.000) 10.610 9.192 ( -1.514 8.490 0.000) 8.624 9.446 ( 2.342 -2.798 0.000) 3.649 9.613 ( -4.942 12.972 0.000) 13.882 9.782 ( 4.531 0.122 0.000) 4.532 9.969 ( -0.346 14.386 0.000) 14.390 10.446 ( 0.438 33.819 0.000) 33.822 10.549 ( -4.551 17.551 0.000) 18.131 11.220 ( -0.480 7.613 0.000) 7.628 11.221 ( -0.711 11.062 0.000) 11.085 13.551 ( 0.680 -18.517 0.000) 18.530 13.614 ( -1.813 -19.726 0.000) 19.809 13.955 ( 3.535 -9.217 0.000) 9.871 14.166 ( -4.946 -14.517 0.000) 15.336 17.425 ( 3.284 16.969 0.000) 17.284 17.671 ( -7.086 2.370 0.000) 7.472 18.234 ( 2.014 -4.259 0.000) 4.711 18.321 ( -1.308 -7.547 0.000) 7.660 19.420 ( 7.765 4.159 0.000) 8.809 19.769 ( -7.480 -2.361 0.000) 7.844 20.262 ( 5.562 -8.878 0.000) 10.476 20.437 ( -2.233 -15.699 0.000) 15.857 22.539 ( 0.110 14.654 0.000) 14.654 22.546 ( -0.152 13.060 0.000) 13.061 23.169 ( 0.652 -0.495 0.000) 0.819 23.198 ( -0.509 0.037 0.000) 0.510 ======================= Grid point 22 (15/63) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -2.009 8.416 0.000) 8.652 0.811 ( 2.009 8.416 0.000) 8.652 0.869 ( -0.449 5.075 0.000) 5.095 0.869 ( 0.449 5.075 0.000) 5.095 1.100 ( -4.257 0.010 0.000) 4.257 1.100 ( 4.257 0.010 0.000) 4.257 1.145 ( -0.793 4.377 0.000) 4.449 1.145 ( 0.793 4.377 0.000) 4.449 1.297 ( -0.423 1.686 0.000) 1.738 1.297 ( 0.423 1.686 0.000) 1.738 1.491 ( -2.228 2.681 0.000) 3.486 1.491 ( 2.228 2.681 0.000) 3.486 1.623 ( -1.556 5.424 0.000) 5.643 1.623 ( 1.556 5.424 0.000) 5.643 1.804 ( -0.648 1.764 0.000) 1.879 1.804 ( 0.648 1.764 0.000) 1.879 1.902 ( -1.434 2.799 0.000) 3.145 1.902 ( 1.434 2.799 0.000) 3.145 2.049 ( -2.105 6.388 0.000) 6.726 2.049 ( 2.105 6.388 0.000) 6.726 2.267 ( -1.533 1.923 0.000) 2.460 2.267 ( 1.533 1.923 0.000) 2.460 2.497 ( -0.930 -1.193 0.000) 1.513 2.497 ( 0.930 -1.193 0.000) 1.513 3.259 ( -2.124 6.904 0.000) 7.223 3.259 ( 2.124 6.904 0.000) 7.223 3.498 ( -2.003 13.852 0.000) 13.996 3.498 ( 2.003 13.852 0.000) 13.996 4.342 ( -2.557 15.151 0.000) 15.365 4.342 ( 2.557 15.151 0.000) 15.365 5.179 ( -3.422 -14.399 0.000) 14.800 5.179 ( 3.422 -14.399 0.000) 14.800 5.655 ( -7.632 9.353 0.000) 12.072 5.655 ( 7.632 9.353 0.000) 12.072 5.918 ( -1.182 -1.676 0.000) 2.051 5.918 ( 1.182 -1.676 0.000) 2.051 6.641 ( -1.358 -0.317 0.000) 1.394 6.641 ( 1.358 -0.317 0.000) 1.394 7.331 ( -7.529 -0.017 0.000) 7.529 7.331 ( 7.529 -0.017 0.000) 7.529 7.433 ( -7.223 -0.095 0.000) 7.223 7.433 ( 7.223 -0.095 0.000) 7.223 7.973 ( -13.407 0.636 0.000) 13.422 7.973 ( 13.407 0.636 0.000) 13.422 8.461 ( -3.173 11.131 0.000) 11.575 8.461 ( 3.173 11.131 0.000) 11.575 9.092 ( -7.885 3.588 0.000) 8.663 9.092 ( 7.885 3.588 0.000) 8.663 9.514 ( -4.284 8.979 0.000) 9.949 9.514 ( 4.285 8.979 0.000) 9.949 9.906 ( -5.942 2.843 0.000) 6.587 9.906 ( 5.942 2.843 0.000) 6.587 10.469 ( -2.439 27.976 0.000) 28.082 10.469 ( 2.439 27.976 0.000) 28.082 11.212 ( -0.040 9.876 0.000) 9.876 11.212 ( 0.040 9.876 0.000) 9.876 13.576 ( -1.710 -18.448 0.000) 18.527 13.576 ( 1.710 -18.448 0.000) 18.527 14.051 ( -5.710 -12.222 0.000) 13.490 14.051 ( 5.710 -12.222 0.000) 13.490 17.525 ( -6.535 11.153 0.000) 12.927 17.525 ( 6.535 11.153 0.000) 12.927 18.281 ( -2.405 -5.402 0.000) 5.913 18.281 ( 2.405 -5.402 0.000) 5.913 19.597 ( -9.055 0.251 0.000) 9.058 19.597 ( 9.055 0.251 0.000) 9.058 20.369 ( -4.524 -13.233 0.000) 13.985 20.369 ( 4.524 -13.233 0.000) 13.985 22.542 ( -0.192 13.852 0.000) 13.853 22.542 ( 0.192 13.852 0.000) 13.853 23.184 ( -0.810 -0.312 0.000) 0.868 23.184 ( 0.810 -0.312 0.000) 0.868 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.000 5.419 0.000) 5.419 0.963 ( 0.000 3.675 0.000) 3.675 0.968 ( 0.000 4.137 0.000) 4.137 1.008 ( 0.000 5.125 0.000) 5.125 1.035 ( 0.000 1.952 0.000) 1.952 1.143 ( 0.000 -2.184 0.000) 2.184 1.229 ( 0.000 0.459 0.000) 0.459 1.278 ( 0.000 0.941 0.000) 0.941 1.350 ( 0.000 4.284 0.000) 4.284 1.397 ( 0.000 4.812 0.000) 4.812 1.499 ( 0.000 1.237 0.000) 1.237 1.550 ( 0.000 -0.043 0.000) 0.043 1.607 ( 0.000 3.558 0.000) 3.558 1.712 ( 0.000 4.179 0.000) 4.179 1.786 ( 0.000 -2.599 0.000) 2.599 1.808 ( 0.000 -1.208 0.000) 1.208 1.935 ( 0.000 6.274 0.000) 6.274 2.074 ( 0.000 4.325 0.000) 4.325 2.117 ( 0.000 3.156 0.000) 3.156 2.120 ( 0.000 -0.398 0.000) 0.398 2.237 ( 0.000 2.378 0.000) 2.378 2.408 ( 0.000 4.644 0.000) 4.644 2.427 ( 0.000 -4.079 0.000) 4.079 2.516 ( 0.000 1.723 0.000) 1.723 3.437 ( 0.000 9.673 0.000) 9.673 3.456 ( 0.000 7.490 0.000) 7.490 3.619 ( 0.000 6.218 0.000) 6.218 3.790 ( 0.000 5.715 0.000) 5.715 4.486 ( 0.000 3.702 0.000) 3.702 4.687 ( 0.000 6.176 0.000) 6.176 4.824 ( 0.000 -13.154 0.000) 13.154 5.008 ( 0.000 -13.522 0.000) 13.522 5.611 ( 0.000 5.095 0.000) 5.095 5.806 ( 0.000 -1.048 0.000) 1.048 5.925 ( 0.000 17.431 0.000) 17.431 6.162 ( 0.000 9.115 0.000) 9.115 6.606 ( 0.000 -5.076 0.000) 5.076 6.694 ( 0.000 4.376 0.000) 4.376 6.972 ( 0.000 -3.639 0.000) 3.639 7.305 ( 0.000 4.379 0.000) 4.379 7.337 ( 0.000 -7.452 0.000) 7.452 7.664 ( 0.000 3.868 0.000) 3.868 7.667 ( 0.000 -1.584 0.000) 1.584 8.258 ( 0.000 -10.934 0.000) 10.934 8.702 ( 0.000 13.154 0.000) 13.154 8.733 ( 0.000 5.439 0.000) 5.439 8.924 ( 0.000 7.738 0.000) 7.738 9.209 ( 0.000 -10.750 0.000) 10.750 9.417 ( 0.000 11.597 0.000) 11.597 9.762 ( 0.000 0.788 0.000) 0.788 9.855 ( 0.000 6.414 0.000) 6.414 10.073 ( 0.000 -1.760 0.000) 1.760 10.969 ( 0.000 14.976 0.000) 14.976 11.001 ( 0.000 17.765 0.000) 17.765 11.349 ( 0.000 2.591 0.000) 2.591 11.386 ( 0.000 2.864 0.000) 2.864 13.379 ( 0.000 2.242 0.000) 2.242 13.451 ( 0.000 2.163 0.000) 2.163 13.807 ( 0.000 -3.284 0.000) 3.284 13.948 ( 0.000 -11.099 0.000) 11.099 17.689 ( 0.000 11.437 0.000) 11.437 17.741 ( 0.000 1.678 0.000) 1.678 18.127 ( 0.000 -4.529 0.000) 4.529 18.147 ( 0.000 -9.074 0.000) 9.074 19.480 ( 0.000 7.583 0.000) 7.583 19.810 ( 0.000 -0.469 0.000) 0.469 20.063 ( 0.000 -6.575 0.000) 6.575 20.138 ( 0.000 -14.852 0.000) 14.852 22.760 ( 0.000 8.443 0.000) 8.443 22.784 ( 0.000 9.729 0.000) 9.729 23.122 ( 0.000 -3.429 0.000) 3.429 23.178 ( 0.000 -2.932 0.000) 2.932 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 1.707 5.351 0.000) 5.617 0.967 ( -0.107 4.127 0.000) 4.128 0.985 ( 0.860 5.163 0.000) 5.234 0.997 ( -1.134 5.619 0.000) 5.732 1.039 ( 1.685 0.877 0.000) 1.899 1.157 ( 1.147 -1.434 0.000) 1.836 1.205 ( -2.308 1.192 0.000) 2.598 1.232 ( -3.752 0.533 0.000) 3.790 1.351 ( 0.198 4.169 0.000) 4.173 1.381 ( -1.250 4.749 0.000) 4.911 1.503 ( 0.408 0.727 0.000) 0.834 1.540 ( -0.937 -0.122 0.000) 0.945 1.645 ( 3.186 3.119 0.000) 4.459 1.721 ( 0.413 3.442 0.000) 3.466 1.788 ( 0.171 -2.179 0.000) 2.185 1.801 ( -0.563 -1.344 0.000) 1.457 1.953 ( 1.581 5.612 0.000) 5.831 2.043 ( -2.440 4.527 0.000) 5.143 2.121 ( 0.381 2.645 0.000) 2.672 2.126 ( 0.415 0.102 0.000) 0.428 2.270 ( 2.653 2.898 0.000) 3.929 2.384 ( -2.258 4.569 0.000) 5.096 2.442 ( 1.377 -3.099 0.000) 3.391 2.505 ( -1.115 0.971 0.000) 1.478 3.424 ( -0.745 9.515 0.000) 9.544 3.443 ( -1.130 8.002 0.000) 8.081 3.650 ( 2.563 6.212 0.000) 6.720 3.766 ( -2.272 5.900 0.000) 6.323 4.508 ( 2.166 4.503 0.000) 4.997 4.649 ( -3.391 6.445 0.000) 7.282 4.842 ( 1.756 -13.005 0.000) 13.123 4.969 ( -3.418 -13.048 0.000) 13.488 5.647 ( 3.304 4.509 0.000) 5.590 5.833 ( -5.778 10.485 0.000) 11.972 5.873 ( 6.312 1.683 0.000) 6.532 6.198 ( -2.825 12.769 0.000) 13.078 6.550 ( 0.698 -4.567 0.000) 4.620 6.684 ( -1.230 3.639 0.000) 3.841 7.127 ( 10.254 -4.025 0.000) 11.016 7.325 ( -1.245 -7.174 0.000) 7.281 7.342 ( 3.806 3.708 0.000) 5.313 7.607 ( -5.503 3.628 0.000) 6.591 7.727 ( 6.096 -3.309 0.000) 6.936 8.143 ( -10.040 -8.876 0.000) 13.401 8.703 ( 0.103 13.424 0.000) 13.424 8.710 ( -1.202 8.032 0.000) 8.122 9.010 ( 7.139 5.415 0.000) 8.961 9.259 ( 0.058 -6.982 0.000) 6.982 9.440 ( 5.494 8.805 0.000) 10.378 9.783 ( 2.394 0.016 0.000) 2.394 9.785 ( -6.300 5.954 0.000) 8.669 10.015 ( -5.648 -2.908 0.000) 6.353 10.965 ( -0.158 15.900 0.000) 15.900 10.991 ( -0.884 17.556 0.000) 17.579 11.356 ( 0.549 2.809 0.000) 2.862 11.380 ( -0.539 3.030 0.000) 3.077 13.389 ( 0.938 2.350 0.000) 2.530 13.440 ( -1.018 2.277 0.000) 2.494 13.819 ( 1.273 -4.235 0.000) 4.422 13.918 ( -2.642 -9.721 0.000) 10.073 17.690 ( 0.192 10.355 0.000) 10.357 17.725 ( -1.320 3.649 0.000) 3.880 18.140 ( 1.074 -5.137 0.000) 5.248 18.157 ( 0.623 -8.459 0.000) 8.482 19.525 ( 4.246 6.221 0.000) 7.532 19.753 ( -4.970 0.923 0.000) 5.055 20.085 ( 1.633 -8.440 0.000) 8.596 20.132 ( -0.572 -13.991 0.000) 14.002 22.764 ( 0.307 8.633 0.000) 8.638 22.781 ( -0.351 9.542 0.000) 9.548 23.130 ( 0.780 -3.373 0.000) 3.462 23.170 ( -0.768 -3.019 0.000) 3.115 ======================= Grid point 27 (18/63) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -2.305 4.878 0.000) 5.395 0.947 ( 2.305 4.878 0.000) 5.395 0.981 ( -0.293 5.520 0.000) 5.528 0.981 ( 0.293 5.520 0.000) 5.528 1.118 ( -5.134 1.618 0.000) 5.383 1.118 ( 5.134 1.618 0.000) 5.383 1.183 ( -1.492 -0.410 0.000) 1.548 1.183 ( 1.492 -0.410 0.000) 1.548 1.360 ( -0.715 4.264 0.000) 4.324 1.360 ( 0.715 4.264 0.000) 4.324 1.518 ( -1.057 0.194 0.000) 1.075 1.518 ( 1.057 0.194 0.000) 1.075 1.706 ( -2.170 2.577 0.000) 3.369 1.706 ( 2.170 2.577 0.000) 3.369 1.792 ( -0.279 -1.577 0.000) 1.602 1.792 ( 0.279 -1.577 0.000) 1.602 1.993 ( -2.307 4.856 0.000) 5.376 1.993 ( 2.307 4.856 0.000) 5.376 2.129 ( -0.207 1.428 0.000) 1.443 2.129 ( 0.207 1.428 0.000) 1.443 2.328 ( -2.980 3.951 0.000) 4.949 2.328 ( 2.980 3.951 0.000) 4.949 2.475 ( -1.699 -0.960 0.000) 1.952 2.475 ( 1.699 -0.960 0.000) 1.952 3.422 ( -0.621 8.917 0.000) 8.939 3.422 ( 0.621 8.917 0.000) 8.939 3.709 ( -3.103 6.153 0.000) 6.891 3.709 ( 3.103 6.153 0.000) 6.891 4.570 ( -3.867 5.993 0.000) 7.132 4.570 ( 3.867 5.993 0.000) 7.132 4.895 ( -3.421 -12.766 0.000) 13.216 4.895 ( 3.421 -12.766 0.000) 13.216 5.730 ( -4.612 5.381 0.000) 7.087 5.730 ( 4.612 5.381 0.000) 7.087 6.041 ( -9.606 6.853 0.000) 11.800 6.041 ( 9.606 6.853 0.000) 11.800 6.630 ( -4.259 1.447 0.000) 4.498 6.630 ( 4.259 1.447 0.000) 4.498 7.276 ( -4.186 -5.937 0.000) 7.264 7.276 ( 4.186 -5.937 0.000) 7.264 7.464 ( -7.693 3.453 0.000) 8.433 7.464 ( 7.693 3.453 0.000) 8.433 7.912 ( -11.510 -6.232 0.000) 13.089 7.912 ( 11.510 -6.232 0.000) 13.089 8.703 ( -0.145 12.107 0.000) 12.108 8.703 ( 0.145 12.107 0.000) 12.108 9.164 ( -7.333 2.027 0.000) 7.608 9.164 ( 7.333 2.027 0.000) 7.608 9.622 ( -9.593 4.200 0.000) 10.472 9.622 ( 9.593 4.200 0.000) 10.472 9.875 ( -6.735 -2.543 0.000) 7.199 9.875 ( 6.735 -2.543 0.000) 7.199 10.972 ( -0.842 17.051 0.000) 17.072 10.972 ( 0.842 17.051 0.000) 17.072 11.368 ( -0.635 3.107 0.000) 3.171 11.368 ( 0.635 3.107 0.000) 3.171 13.414 ( -1.423 2.428 0.000) 2.814 13.414 ( 1.423 2.428 0.000) 2.814 13.860 ( -2.688 -6.772 0.000) 7.286 13.860 ( 2.688 -6.772 0.000) 7.286 17.701 ( -0.892 7.408 0.000) 7.461 17.701 ( 0.892 7.408 0.000) 7.461 18.159 ( -0.542 -6.758 0.000) 6.780 18.159 ( 0.542 -6.758 0.000) 6.780 19.635 ( -6.139 3.479 0.000) 7.056 19.635 ( 6.139 3.479 0.000) 7.057 20.114 ( -1.190 -11.606 0.000) 11.667 20.114 ( 1.190 -11.606 0.000) 11.667 22.772 ( -0.469 9.089 0.000) 9.101 22.772 ( 0.469 9.089 0.000) 9.101 23.150 ( -1.091 -3.211 0.000) 3.392 23.150 ( 1.091 -3.211 0.000) 3.392 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 0.000 2.935 0.000) 2.935 0.996 ( 0.000 0.452 0.000) 0.452 1.039 ( 0.000 2.761 0.000) 2.761 1.068 ( 0.000 0.483 0.000) 0.483 1.080 ( 0.000 1.466 0.000) 1.466 1.104 ( 0.000 -1.478 0.000) 1.478 1.247 ( 0.000 1.575 0.000) 1.575 1.279 ( 0.000 -1.008 0.000) 1.008 1.429 ( 0.000 3.414 0.000) 3.414 1.484 ( 0.000 3.541 0.000) 3.541 1.485 ( 0.000 -2.035 0.000) 2.035 1.535 ( 0.000 -1.478 0.000) 1.478 1.675 ( 0.000 3.073 0.000) 3.073 1.733 ( 0.000 -2.680 0.000) 2.680 1.766 ( 0.000 1.380 0.000) 1.380 1.786 ( 0.000 -0.947 0.000) 0.947 2.042 ( 0.000 4.050 0.000) 4.050 2.099 ( 0.000 -1.738 0.000) 1.738 2.129 ( 0.000 1.361 0.000) 1.361 2.140 ( 0.000 0.078 0.000) 0.078 2.304 ( 0.000 3.309 0.000) 3.309 2.362 ( 0.000 -2.623 0.000) 2.623 2.490 ( 0.000 3.145 0.000) 3.145 2.529 ( 0.000 -0.605 0.000) 0.605 3.606 ( 0.000 6.452 0.000) 6.452 3.630 ( 0.000 9.095 0.000) 9.095 3.680 ( 0.000 -0.450 0.000) 0.450 3.788 ( 0.000 -5.215 0.000) 5.215 4.513 ( 0.000 1.471 0.000) 1.471 4.605 ( 0.000 -7.915 0.000) 7.915 4.743 ( 0.000 1.421 0.000) 1.421 4.808 ( 0.000 -6.010 0.000) 6.010 5.706 ( 0.000 4.727 0.000) 4.727 5.789 ( 0.000 -2.572 0.000) 2.572 6.329 ( 0.000 7.772 0.000) 7.772 6.366 ( 0.000 23.045 0.000) 23.045 6.481 ( 0.000 -6.938 0.000) 6.938 6.775 ( 0.000 -15.698 0.000) 15.698 6.875 ( 0.000 12.903 0.000) 12.903 7.143 ( 0.000 -11.875 0.000) 11.875 7.435 ( 0.000 7.801 0.000) 7.801 7.586 ( 0.000 -6.248 0.000) 6.248 7.786 ( 0.000 8.485 0.000) 8.485 8.007 ( 0.000 -12.659 0.000) 12.659 8.848 ( 0.000 6.314 0.000) 6.314 8.929 ( 0.000 8.488 0.000) 8.488 9.003 ( 0.000 -9.065 0.000) 9.065 9.018 ( 0.000 0.346 0.000) 0.346 9.638 ( 0.000 9.012 0.000) 9.012 9.754 ( 0.000 -2.414 0.000) 2.414 9.962 ( 0.000 4.153 0.000) 4.153 10.024 ( 0.000 -2.394 0.000) 2.394 11.165 ( 0.000 6.684 0.000) 6.684 11.220 ( 0.000 6.790 0.000) 6.790 11.299 ( 0.000 -6.122 0.000) 6.122 11.347 ( 0.000 -5.461 0.000) 5.461 13.545 ( 0.000 11.064 0.000) 11.064 13.607 ( 0.000 9.603 0.000) 9.603 13.749 ( 0.000 -3.968 0.000) 3.968 13.753 ( 0.000 -9.166 0.000) 9.166 17.822 ( 0.000 5.963 0.000) 5.963 17.883 ( 0.000 8.032 0.000) 8.032 17.969 ( 0.000 -8.261 0.000) 8.261 18.023 ( 0.000 -5.863 0.000) 5.863 19.650 ( 0.000 9.351 0.000) 9.351 19.839 ( 0.000 3.245 0.000) 3.245 19.865 ( 0.000 -11.971 0.000) 11.971 19.934 ( 0.000 -5.845 0.000) 5.845 22.907 ( 0.000 6.400 0.000) 6.400 22.953 ( 0.000 7.290 0.000) 7.290 23.028 ( 0.000 -5.518 0.000) 5.518 23.087 ( 0.000 -5.806 0.000) 5.806 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 1.661 3.307 0.000) 3.701 1.031 ( 2.540 -0.352 0.000) 2.564 1.039 ( -0.089 2.858 0.000) 2.860 1.066 ( -0.223 0.793 0.000) 0.824 1.080 ( 0.751 2.473 0.000) 2.584 1.123 ( 1.530 -1.768 0.000) 2.338 1.218 ( -2.575 0.801 0.000) 2.697 1.237 ( -3.847 -0.460 0.000) 3.874 1.432 ( 0.376 3.571 0.000) 3.591 1.470 ( -1.217 3.710 0.000) 3.905 1.489 ( 0.379 -1.898 0.000) 1.936 1.524 ( -0.991 -1.613 0.000) 1.893 1.697 ( 1.896 2.197 0.000) 2.903 1.742 ( 0.796 -2.249 0.000) 2.385 1.761 ( -0.578 0.926 0.000) 1.092 1.777 ( -0.746 -0.935 0.000) 1.196 2.052 ( 0.965 3.921 0.000) 4.038 2.109 ( 0.848 -1.731 0.000) 1.928 2.111 ( -1.521 2.265 0.000) 2.728 2.138 ( -0.296 -0.426 0.000) 0.519 2.337 ( 2.882 3.107 0.000) 4.237 2.390 ( 2.564 -2.286 0.000) 3.435 2.466 ( -2.332 3.193 0.000) 3.954 2.507 ( -2.076 -0.882 0.000) 2.256 3.601 ( -0.201 7.373 0.000) 7.376 3.621 ( -0.768 9.024 0.000) 9.057 3.698 ( 1.551 -1.555 0.000) 2.196 3.773 ( -1.461 -4.681 0.000) 4.903 4.543 ( 2.922 1.417 0.000) 3.247 4.629 ( 2.298 -7.474 0.000) 7.819 4.707 ( -3.363 1.376 0.000) 3.634 4.772 ( -3.292 -6.028 0.000) 6.868 5.761 ( 5.189 6.329 0.000) 8.184 5.870 ( 7.451 -3.315 0.000) 8.155 6.094 ( -11.012 12.707 0.000) 16.814 6.301 ( -12.050 -6.313 0.000) 13.604 6.617 ( 11.507 14.808 0.000) 18.753 6.857 ( -1.898 12.915 0.000) 13.053 6.941 ( 10.028 -13.975 0.000) 17.201 7.129 ( -1.324 -12.184 0.000) 12.256 7.460 ( 3.117 7.446 0.000) 8.072 7.616 ( 3.578 -7.162 0.000) 8.006 7.723 ( -5.948 8.001 0.000) 9.970 7.926 ( -7.429 -11.371 0.000) 13.583 8.880 ( 3.013 8.851 0.000) 9.349 8.942 ( 0.845 9.496 0.000) 9.534 9.061 ( 3.594 -1.564 0.000) 3.920 9.071 ( 4.915 -9.841 0.000) 11.000 9.644 ( 1.349 8.920 0.000) 9.021 9.763 ( 1.259 -2.824 0.000) 3.092 9.888 ( -6.739 4.235 0.000) 7.959 9.955 ( -6.183 -2.703 0.000) 6.748 11.171 ( 0.644 6.974 0.000) 7.004 11.211 ( -0.862 6.937 0.000) 6.990 11.308 ( 0.763 -6.091 0.000) 6.138 11.340 ( -0.573 -5.589 0.000) 5.618 13.554 ( 0.799 10.749 0.000) 10.779 13.598 ( -0.897 9.715 0.000) 9.757 13.746 ( -0.250 -4.514 0.000) 4.521 13.748 ( -0.375 -8.171 0.000) 8.180 17.830 ( 0.824 6.639 0.000) 6.690 17.874 ( -0.865 8.052 0.000) 8.098 17.985 ( 1.293 -8.291 0.000) 8.391 18.022 ( -0.208 -6.529 0.000) 6.533 19.675 ( 2.381 8.581 0.000) 8.905 19.807 ( -2.845 4.392 0.000) 5.233 19.876 ( 0.987 -11.242 0.000) 11.285 19.926 ( -0.856 -7.046 0.000) 7.098 22.913 ( 0.614 6.537 0.000) 6.565 22.946 ( -0.649 7.164 0.000) 7.193 23.037 ( 0.797 -5.567 0.000) 5.624 23.078 ( -0.812 -5.769 0.000) 5.826 ======================= Grid point 32 (21/63) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -1.368 3.131 0.000) 3.417 1.027 ( 1.368 3.131 0.000) 3.417 1.057 ( -0.540 1.158 0.000) 1.278 1.057 ( 0.540 1.158 0.000) 1.278 1.143 ( -4.717 0.766 0.000) 4.779 1.143 ( 4.717 0.766 0.000) 4.779 1.163 ( -2.539 -1.006 0.000) 2.731 1.163 ( 2.539 -1.006 0.000) 2.731 1.446 ( -0.992 3.758 0.000) 3.887 1.446 ( 0.992 3.758 0.000) 3.887 1.502 ( -0.957 -1.753 0.000) 1.997 1.502 ( 0.957 -1.753 0.000) 1.997 1.737 ( -1.763 0.990 0.000) 2.022 1.737 ( 1.763 0.990 0.000) 2.022 1.760 ( -0.933 -1.410 0.000) 1.691 1.760 ( 0.933 -1.410 0.000) 1.691 2.078 ( -1.550 3.399 0.000) 3.736 2.078 ( 1.550 3.399 0.000) 3.736 2.127 ( -0.785 -1.337 0.000) 1.550 2.127 ( 0.785 -1.337 0.000) 1.550 2.404 ( -3.470 3.167 0.000) 4.698 2.404 ( 3.470 3.167 0.000) 4.698 2.452 ( -3.206 -1.555 0.000) 3.563 2.452 ( 3.206 -1.555 0.000) 3.563 3.605 ( -0.633 8.529 0.000) 8.553 3.605 ( 0.633 8.529 0.000) 8.553 3.735 ( -2.025 -3.316 0.000) 3.886 3.735 ( 2.025 -3.316 0.000) 3.886 4.622 ( -4.540 1.353 0.000) 4.737 4.622 ( 4.540 1.353 0.000) 4.737 4.694 ( -3.921 -6.540 0.000) 7.625 4.694 ( 3.921 -6.540 0.000) 7.625 5.900 ( -8.305 9.646 0.000) 12.729 5.900 ( 8.305 9.646 0.000) 12.729 6.063 ( -11.098 -4.941 0.000) 12.148 6.063 ( 11.098 -4.941 0.000) 12.148 6.788 ( -5.452 13.651 0.000) 14.700 6.788 ( 5.452 13.651 0.000) 14.700 7.082 ( -3.953 -13.071 0.000) 13.655 7.082 ( 3.953 -13.071 0.000) 13.655 7.575 ( -7.639 7.340 0.000) 10.594 7.575 ( 7.639 7.340 0.000) 10.594 7.748 ( -8.917 -9.112 0.000) 12.749 7.748 ( 8.917 -9.112 0.000) 12.749 8.938 ( -1.750 10.755 0.000) 10.896 8.938 ( 1.750 10.755 0.000) 10.896 9.120 ( -0.956 -6.407 0.000) 6.478 9.120 ( 0.956 -6.407 0.000) 6.478 9.731 ( -7.319 6.012 0.000) 9.472 9.731 ( 7.319 6.012 0.000) 9.472 9.826 ( -5.289 -3.000 0.000) 6.081 9.826 ( 5.289 -3.000 0.000) 6.081 11.190 ( -1.082 7.154 0.000) 7.236 11.190 ( 1.082 7.154 0.000) 7.236 11.325 ( -0.859 -5.882 0.000) 5.945 11.325 ( 0.859 -5.882 0.000) 5.945 13.575 ( -1.219 10.132 0.000) 10.205 13.575 ( 1.219 10.132 0.000) 10.205 13.743 ( -0.053 -6.121 0.000) 6.121 13.743 ( 0.053 -6.121 0.000) 6.121 17.852 ( -1.202 7.676 0.000) 7.770 17.852 ( 1.202 7.676 0.000) 7.770 18.010 ( -1.000 -7.740 0.000) 7.804 18.010 ( 1.000 -7.740 0.000) 7.804 19.738 ( -3.618 6.632 0.000) 7.555 19.738 ( 3.618 6.632 0.000) 7.555 19.901 ( -1.402 -9.338 0.000) 9.443 19.901 ( 1.402 -9.338 0.000) 9.443 22.929 ( -0.895 6.855 0.000) 6.914 22.929 ( 0.895 6.855 0.000) 6.914 23.057 ( -1.137 -5.675 0.000) 5.788 23.057 ( 1.137 -5.675 0.000) 5.787 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.279 ( 0.000 0.000 12.931) 12.931 0.297 ( 0.000 0.000 13.661) 13.661 0.525 ( 0.000 0.000 23.043) 23.043 0.728 ( 0.000 0.000 1.756) 1.756 0.816 ( 0.000 0.000 9.160) 9.160 0.930 ( 0.000 0.000 4.560) 4.560 0.936 ( 0.000 0.000 -6.744) 6.744 1.062 ( 0.000 0.000 -3.894) 3.894 1.154 ( 0.000 0.000 -0.065) 0.065 1.162 ( 0.000 0.000 0.410) 0.410 1.193 ( 0.000 0.000 5.245) 5.245 1.221 ( 0.000 0.000 4.128) 4.128 1.406 ( 0.000 0.000 -0.746) 0.746 1.426 ( 0.000 0.000 -1.266) 1.266 1.447 ( 0.000 0.000 0.583) 0.583 1.486 ( 0.000 0.000 -6.784) 6.784 1.491 ( 0.000 0.000 -0.367) 0.367 1.533 ( 0.000 0.000 -3.596) 3.596 1.785 ( 0.000 0.000 -11.157) 11.157 1.953 ( 0.000 0.000 -6.331) 6.331 2.216 ( 0.000 0.000 6.340) 6.340 2.442 ( 0.000 0.000 -1.766) 1.766 2.519 ( 0.000 0.000 2.254) 2.254 2.779 ( 0.000 0.000 0.322) 0.322 2.792 ( 0.000 0.000 3.065) 3.065 2.807 ( 0.000 0.000 -0.278) 0.278 2.814 ( 0.000 0.000 -0.295) 0.295 3.118 ( 0.000 0.000 4.276) 4.276 3.203 ( 0.000 0.000 -4.739) 4.739 3.508 ( 0.000 0.000 -5.171) 5.171 4.050 ( 0.000 0.000 5.764) 5.764 4.193 ( 0.000 0.000 -1.181) 1.181 5.394 ( 0.000 0.000 0.337) 0.337 5.455 ( 0.000 0.000 -1.019) 1.019 6.019 ( 0.000 0.000 3.321) 3.321 6.194 ( 0.000 0.000 9.847) 9.847 6.216 ( 0.000 0.000 -0.798) 0.798 7.006 ( 0.000 0.000 -9.335) 9.335 7.079 ( 0.000 0.000 3.016) 3.016 7.237 ( 0.000 0.000 0.214) 0.214 7.238 ( 0.000 0.000 1.104) 1.104 7.344 ( 0.000 0.000 -1.617) 1.617 7.431 ( 0.000 0.000 8.337) 8.337 7.767 ( 0.000 0.000 -1.117) 1.117 7.799 ( 0.000 0.000 -2.907) 2.907 7.830 ( 0.000 0.000 -2.005) 2.005 7.838 ( 0.000 0.000 1.439) 1.439 7.881 ( 0.000 0.000 0.303) 0.303 8.181 ( 0.000 0.000 -1.401) 1.401 8.699 ( 0.000 0.000 -13.688) 13.688 8.770 ( 0.000 0.000 9.948) 9.948 9.324 ( 0.000 0.000 -0.037) 0.037 10.104 ( 0.000 0.000 4.725) 4.725 10.611 ( 0.000 0.000 -8.585) 8.585 11.000 ( 0.000 0.000 9.333) 9.333 11.822 ( 0.000 0.000 -11.779) 11.779 13.993 ( 0.000 0.000 0.048) 0.048 13.998 ( 0.000 0.000 -0.060) 0.060 15.122 ( 0.000 0.000 -0.141) 0.141 15.129 ( 0.000 0.000 -0.258) 0.258 15.706 ( 0.000 0.000 6.568) 6.568 16.548 ( 0.000 0.000 -14.908) 14.908 18.960 ( 0.000 0.000 15.770) 15.770 19.455 ( 0.000 0.000 -0.017) 0.017 19.459 ( 0.000 0.000 -0.097) 0.097 19.822 ( 0.000 0.000 -9.166) 9.166 20.528 ( 0.000 0.000 6.404) 6.404 20.754 ( 0.000 0.000 -1.423) 1.423 22.205 ( 0.000 0.000 6.821) 6.821 22.655 ( 0.000 0.000 -4.211) 4.211 23.184 ( 0.000 0.000 2.251) 2.251 23.225 ( 0.000 0.000 -0.313) 0.313 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 10.128 0.000 8.191) 13.026 0.487 ( 12.631 0.000 4.313) 13.347 0.563 ( 3.603 0.000 18.109) 18.464 0.682 ( 0.375 0.000 6.214) 6.225 0.847 ( -8.166 0.000 -2.782) 8.627 0.859 ( -1.286 0.000 2.820) 3.099 0.909 ( 1.315 0.000 4.637) 4.820 1.067 ( -1.475 0.000 0.118) 1.480 1.122 ( -0.533 0.000 -0.319) 0.621 1.143 ( -3.080 0.000 5.131) 5.985 1.153 ( -0.977 0.000 -0.520) 1.107 1.302 ( 4.947 0.000 2.047) 5.354 1.376 ( -9.762 0.000 -2.694) 10.127 1.407 ( 0.571 0.000 -3.329) 3.378 1.428 ( -0.580 0.000 -0.095) 0.588 1.441 ( 0.090 0.000 -0.285) 0.299 1.461 ( -3.680 0.000 -4.385) 5.725 1.480 ( -0.965 0.000 -0.372) 1.034 1.818 ( 3.292 0.000 -10.482) 10.987 1.948 ( -1.211 0.000 -6.999) 7.103 2.236 ( 1.696 0.000 5.017) 5.296 2.355 ( -5.343 0.000 1.727) 5.615 2.585 ( 4.299 0.000 -1.725) 4.633 2.758 ( -4.050 0.000 -4.280) 5.892 2.783 ( 0.371 0.000 0.240) 0.442 2.803 ( -0.396 0.000 -0.184) 0.437 2.849 ( 4.632 0.000 6.521) 7.998 3.032 ( -2.865 0.000 5.374) 6.090 3.438 ( 10.087 0.000 -10.722) 14.721 3.518 ( 1.669 0.000 -6.112) 6.335 3.957 ( -3.150 0.000 6.706) 7.409 4.166 ( -5.173 0.000 -0.882) 5.247 5.404 ( 0.867 0.000 0.128) 0.877 5.446 ( -0.789 0.000 -0.830) 1.146 5.994 ( -2.241 0.000 2.550) 3.395 6.008 ( -4.673 0.000 1.616) 4.945 6.571 ( 17.476 0.000 3.284) 17.782 7.069 ( 0.338 0.000 -4.095) 4.109 7.093 ( 1.303 0.000 2.842) 3.126 7.182 ( -2.763 0.000 1.562) 3.174 7.285 ( 2.034 0.000 -0.223) 2.046 7.305 ( -1.322 0.000 10.218) 10.303 7.338 ( -0.620 0.000 -1.446) 1.573 7.740 ( -7.599 0.000 -2.402) 7.969 7.772 ( 0.557 0.000 -1.093) 1.226 7.810 ( -1.149 0.000 -0.912) 1.467 7.855 ( 0.874 0.000 0.303) 0.925 7.878 ( -0.271 0.000 0.309) 0.411 8.206 ( 2.802 0.000 1.086) 3.005 8.483 ( -10.521 0.000 3.798) 11.186 9.034 ( 14.235 0.000 -7.004) 15.865 9.463 ( 1.353 0.000 -12.091) 12.166 10.211 ( 10.592 0.000 6.138) 12.241 10.657 ( -0.361 0.000 -1.496) 1.539 10.978 ( 5.788 0.000 2.126) 6.166 11.685 ( -13.745 0.000 -10.808) 17.485 13.994 ( 0.069 0.000 0.032) 0.076 13.997 ( -0.068 0.000 -0.044) 0.081 15.124 ( 0.117 0.000 -0.125) 0.171 15.128 ( -0.102 0.000 -0.213) 0.237 16.028 ( 22.224 0.000 -14.274) 26.413 16.538 ( -2.455 0.000 -18.164) 18.329 19.021 ( 6.857 0.000 20.363) 21.486 19.456 ( 0.050 0.000 -0.029) 0.058 19.458 ( -0.050 0.000 -0.086) 0.099 19.844 ( -11.661 0.000 20.593) 23.665 20.092 ( -24.077 0.000 4.263) 24.452 20.462 ( -14.163 0.000 3.069) 14.492 21.970 ( 6.078 0.000 22.511) 23.317 22.683 ( -13.623 0.000 1.612) 13.718 23.178 ( 3.231 0.000 -2.269) 3.948 23.237 ( 0.770 0.000 -0.964) 1.233 ======================= Grid point 67 (24/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -0.984 0.000 9.736) 9.785 0.595 ( 0.984 0.000 9.736) 9.785 0.644 ( -11.220 0.000 2.330) 11.459 0.644 ( 11.220 0.000 2.330) 11.459 0.798 ( -4.578 0.000 1.200) 4.732 0.798 ( 4.578 0.000 1.200) 4.732 0.998 ( -6.514 0.000 2.720) 7.059 0.998 ( 6.514 0.000 2.720) 7.059 1.131 ( -1.044 0.000 -1.031) 1.467 1.131 ( 1.044 0.000 -1.031) 1.467 1.152 ( -6.438 0.000 4.651) 7.942 1.152 ( 6.438 0.000 4.651) 7.942 1.387 ( -3.215 0.000 0.947) 3.352 1.387 ( 3.215 0.000 0.947) 3.352 1.426 ( -0.918 0.000 -6.411) 6.476 1.426 ( 0.918 0.000 -6.411) 6.476 1.458 ( -1.124 0.000 -0.544) 1.249 1.458 ( 1.124 0.000 -0.544) 1.249 1.897 ( -3.723 0.000 -8.676) 9.441 1.897 ( 3.723 0.000 -8.676) 9.441 2.276 ( -2.475 0.000 3.406) 4.210 2.276 ( 2.475 0.000 3.406) 4.210 2.671 ( -4.258 0.000 -3.933) 5.796 2.671 ( 4.258 0.000 -3.933) 5.796 2.793 ( -0.542 0.000 0.034) 0.543 2.793 ( 0.542 0.000 0.034) 0.543 2.955 ( -5.009 0.000 5.453) 7.405 2.955 ( 5.009 0.000 5.453) 7.405 3.537 ( -1.848 0.000 -7.810) 8.026 3.537 ( 1.848 0.000 -7.810) 8.026 4.015 ( -7.733 0.000 1.861) 7.954 4.015 ( 7.733 0.000 1.861) 7.954 5.426 ( -1.171 0.000 -0.362) 1.225 5.426 ( 1.171 0.000 -0.362) 1.225 5.965 ( -0.431 0.000 1.540) 1.599 5.965 ( 0.431 0.000 1.540) 1.599 6.887 ( -13.802 0.000 5.512) 14.862 6.887 ( 13.802 0.000 5.512) 14.862 7.130 ( -2.307 0.000 2.336) 3.283 7.130 ( 2.307 0.000 2.336) 3.283 7.319 ( -1.309 0.000 -0.959) 1.622 7.319 ( 1.309 0.000 -0.959) 1.622 7.504 ( -14.168 0.000 -1.484) 14.246 7.504 ( 14.168 0.000 -1.484) 14.246 7.788 ( -0.973 0.000 -1.006) 1.400 7.788 ( 0.973 0.000 -1.006) 1.400 7.870 ( -0.577 0.000 0.303) 0.652 7.870 ( 0.577 0.000 0.303) 0.652 8.305 ( -6.970 0.000 5.354) 8.789 8.305 ( 6.970 0.000 5.354) 8.789 9.312 ( -12.647 0.000 -10.299) 16.309 9.312 ( 12.647 0.000 -10.299) 16.309 10.477 ( -13.591 0.000 7.699) 15.621 10.477 ( 13.591 0.000 7.699) 15.621 11.312 ( -21.101 0.000 -9.079) 22.971 11.312 ( 21.101 0.000 -9.079) 22.971 13.995 ( -0.096 0.000 -0.006) 0.097 13.995 ( 0.096 0.000 -0.006) 0.097 15.126 ( -0.107 0.000 -0.157) 0.190 15.126 ( 0.107 0.000 -0.157) 0.190 16.392 ( -12.694 0.000 -20.324) 23.962 16.392 ( 12.694 0.000 -20.324) 23.962 19.290 ( -21.536 0.000 33.531) 39.851 19.290 ( 21.536 0.000 33.531) 39.851 19.457 ( -0.071 0.000 -0.057) 0.091 19.457 ( 0.071 0.000 -0.057) 0.091 20.188 ( -12.602 0.000 -5.792) 13.869 20.188 ( 12.602 0.000 -5.792) 13.869 22.295 ( -20.926 0.000 12.197) 24.221 22.295 ( 20.926 0.000 12.197) 24.221 23.233 ( -1.507 0.000 -2.660) 3.057 23.233 ( 1.507 0.000 -2.660) 3.057 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 0.000 8.893 10.074) 13.438 0.419 ( 0.000 11.672 5.479) 12.894 0.637 ( 0.000 5.777 12.196) 13.495 0.746 ( 0.000 4.780 3.915) 6.179 0.757 ( 0.000 -3.687 6.433) 7.414 0.865 ( 0.000 -3.721 3.565) 5.153 1.030 ( 0.000 5.309 -2.914) 6.056 1.092 ( 0.000 2.704 -1.798) 3.247 1.167 ( 0.000 1.775 -0.557) 1.861 1.207 ( 0.000 3.180 1.384) 3.468 1.225 ( 0.000 3.372 3.640) 4.962 1.242 ( 0.000 1.544 1.665) 2.271 1.355 ( 0.000 -3.213 1.765) 3.666 1.496 ( 0.000 1.312 -0.085) 1.315 1.512 ( 0.000 2.213 -0.887) 2.384 1.514 ( 0.000 5.980 -0.238) 5.985 1.537 ( 0.000 3.484 -2.490) 4.283 1.566 ( 0.000 7.261 -5.447) 9.077 1.806 ( 0.000 1.835 -8.980) 9.165 1.947 ( 0.000 -0.348 -5.975) 5.985 2.215 ( 0.000 0.047 5.769) 5.769 2.431 ( 0.000 -1.040 -1.479) 1.808 2.454 ( 0.000 -4.238 3.304) 5.374 2.571 ( 0.000 -0.520 1.831) 1.904 2.771 ( 0.000 -2.514 -3.723) 4.492 2.878 ( 0.000 2.941 -4.465) 5.347 3.046 ( 0.000 -2.812 6.005) 6.630 3.206 ( 0.000 -0.450 -1.017) 1.112 3.462 ( 0.000 36.178 -3.369) 36.334 3.690 ( 0.000 19.545 -5.965) 20.435 3.996 ( 0.000 -0.792 10.528) 10.557 4.038 ( 0.000 1.123 5.379) 5.495 5.678 ( 0.000 24.437 0.417) 24.440 5.754 ( 0.000 25.508 -1.020) 25.528 5.949 ( 0.000 -6.581 4.093) 7.750 6.154 ( 0.000 -3.767 9.790) 10.490 6.154 ( 0.000 -5.557 -0.110) 5.558 6.914 ( 0.000 -7.986 -6.106) 10.053 7.144 ( 0.000 -9.623 10.708) 14.397 7.209 ( 0.000 10.944 1.679) 11.072 7.297 ( 0.000 2.070 3.686) 4.227 7.350 ( 0.000 10.128 1.904) 10.306 7.420 ( 0.000 5.757 1.088) 5.859 7.772 ( 0.000 -0.961 -2.799) 2.960 7.918 ( 0.000 7.967 -0.722) 7.999 7.920 ( 0.000 14.047 -2.293) 14.233 8.070 ( 0.000 18.263 0.107) 18.263 8.209 ( 0.000 3.597 -0.926) 3.714 8.667 ( 0.000 -2.415 -12.269) 12.505 8.734 ( 0.000 -0.876 8.626) 8.671 8.886 ( 0.000 42.516 -38.348) 57.256 9.290 ( 0.000 -2.845 -1.407) 3.174 10.072 ( 0.000 -2.941 4.728) 5.568 10.588 ( 0.000 -1.474 -10.109) 10.216 10.866 ( 0.000 -7.213 8.032) 10.795 11.694 ( 0.000 -11.622 -11.083) 16.059 14.114 ( 0.000 7.215 0.913) 7.273 14.635 ( 0.000 14.681 -29.940) 33.346 15.391 ( 0.000 23.692 0.155) 23.693 15.457 ( 0.000 -19.974 5.366) 20.683 15.591 ( 0.000 39.997 -17.946) 43.838 16.198 ( 0.000 -16.756 -21.836) 27.524 18.839 ( 0.000 -7.294 6.521) 9.784 19.086 ( 0.000 -20.146 -1.086) 20.176 19.701 ( 0.000 10.531 6.886) 12.582 20.173 ( 0.000 11.900 -9.180) 15.030 20.574 ( 0.000 9.616 8.619) 12.913 20.612 ( 0.000 -12.540 21.486) 24.878 21.956 ( 0.000 -33.021 29.686) 44.403 22.124 ( 0.000 -6.677 4.534) 8.071 23.146 ( 0.000 -1.248 0.547) 1.363 23.205 ( 0.000 -1.647 -0.606) 1.755 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 5.996 4.404 7.518) 10.576 0.557 ( 3.393 3.869 9.252) 10.586 0.663 ( -1.420 0.881 7.248) 7.439 0.700 ( 5.877 5.451 2.694) 8.457 0.809 ( -2.890 -1.863 0.994) 3.580 0.891 ( 4.952 1.925 5.319) 7.518 0.933 ( -6.154 4.510 1.599) 7.796 1.082 ( -1.608 2.108 -1.028) 2.844 1.148 ( -0.319 1.961 1.209) 2.326 1.190 ( -1.796 4.550 2.866) 5.670 1.209 ( -0.567 3.840 0.573) 3.924 1.314 ( 2.746 0.960 -0.944) 3.059 1.347 ( -0.062 -2.986 -0.153) 2.991 1.414 ( -4.999 0.694 -3.144) 5.946 1.496 ( -2.098 4.710 0.015) 5.156 1.498 ( -3.790 6.688 0.373) 7.696 1.523 ( 0.110 5.828 -1.064) 5.926 1.544 ( -0.771 5.172 -1.003) 5.325 1.828 ( 2.627 1.071 -9.116) 9.547 1.940 ( -1.067 -0.319 -6.464) 6.559 2.229 ( 1.233 -0.318 5.034) 5.192 2.335 ( -5.108 -1.532 2.402) 5.849 2.526 ( 3.644 -3.482 -1.038) 5.145 2.602 ( 2.345 -1.624 1.999) 3.483 2.728 ( -2.381 -2.495 -2.794) 4.439 2.870 ( -3.557 1.897 1.061) 4.168 3.057 ( 5.252 1.553 -2.236) 5.916 3.302 ( 1.691 -3.946 -8.644) 9.651 3.473 ( 3.841 33.374 1.814) 33.643 3.706 ( 0.158 22.709 -3.873) 23.038 3.903 ( -3.261 -1.910 8.011) 8.858 4.052 ( -2.485 -1.765 3.686) 4.783 5.696 ( 1.573 24.956 -0.067) 25.006 5.752 ( -0.421 25.560 -1.297) 25.597 5.930 ( -1.557 -6.137 3.387) 7.181 5.955 ( -5.386 -4.572 3.331) 7.811 6.484 ( 16.459 -7.107 4.963) 18.602 6.939 ( -2.032 -10.345 1.337) 10.628 7.149 ( 3.162 -4.429 4.000) 6.754 7.212 ( 0.134 9.309 1.949) 9.512 7.322 ( 3.508 4.280 2.550) 6.093 7.364 ( 1.177 8.675 1.614) 8.902 7.412 ( -0.779 5.928 1.060) 6.073 7.712 ( -6.755 -0.748 -2.724) 7.322 7.915 ( 0.480 9.446 -1.609) 9.595 7.934 ( 0.883 13.446 -1.462) 13.554 8.063 ( 0.466 15.304 -1.586) 15.393 8.251 ( 3.589 7.616 2.409) 8.757 8.411 ( -15.232 10.596 -5.306) 19.299 8.590 ( -13.996 29.162 -7.110) 33.119 8.980 ( 12.292 -4.398 -6.613) 14.634 9.380 ( -1.130 -6.557 -9.906) 11.933 10.179 ( 10.238 -2.910 5.842) 12.141 10.623 ( -2.653 -2.990 -0.251) 4.005 10.902 ( 9.348 -4.867 -2.539) 10.841 11.568 ( -12.276 -10.402 -10.301) 19.105 14.129 ( 1.723 7.992 0.714) 8.207 14.407 ( -14.317 15.805 -11.239) 24.106 15.402 ( 0.742 26.707 0.161) 26.718 15.438 ( -0.936 17.165 0.829) 17.211 15.806 ( 14.264 -10.805 -18.067) 25.429 16.173 ( -3.097 -22.198 -20.261) 30.214 18.842 ( 1.460 -10.306 9.921) 14.379 19.058 ( -3.997 -21.161 9.109) 23.382 19.692 ( -0.350 8.200 5.884) 10.099 20.004 ( -19.858 -5.799 7.410) 21.974 20.344 ( -2.123 27.862 9.480) 29.507 20.548 ( -6.287 10.362 5.788) 13.431 21.872 ( 7.739 -7.195 18.162) 21.013 22.345 ( -0.514 -22.889 4.371) 23.308 23.164 ( 2.211 -1.036 -1.379) 2.804 23.213 ( 0.482 -1.951 -1.025) 2.257 ======================= Grid point 72 (27/63) ======================= q-point: (-0.50 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -5.630 -1.154 7.080) 9.119 0.530 ( 5.630 -1.154 7.080) 9.119 0.701 ( -5.312 1.939 2.725) 6.277 0.701 ( 5.312 1.939 2.725) 6.277 0.810 ( -4.716 1.981 3.128) 5.996 0.810 ( 4.716 1.981 3.128) 5.996 1.034 ( -4.315 3.113 0.821) 5.383 1.034 ( 4.315 3.113 0.821) 5.383 1.159 ( -1.647 2.864 -0.075) 3.304 1.159 ( 1.647 2.864 -0.075) 3.304 1.237 ( -5.616 6.404 3.877) 9.358 1.237 ( 5.616 6.404 3.877) 9.358 1.362 ( -1.457 -2.535 -4.358) 5.248 1.362 ( 1.457 -2.535 -4.358) 5.248 1.464 ( -1.559 5.667 1.170) 5.993 1.464 ( 1.559 5.667 1.170) 5.993 1.532 ( -0.563 5.167 -0.631) 5.236 1.532 ( 0.563 5.167 -0.631) 5.236 1.895 ( -3.263 0.230 -7.900) 8.551 1.895 ( 3.263 0.230 -7.900) 8.551 2.261 ( -2.196 -0.987 3.688) 4.404 2.261 ( 2.196 -0.987 3.688) 4.404 2.593 ( -2.863 -3.691 -1.952) 5.063 2.593 ( 2.863 -3.691 -1.952) 5.063 2.766 ( -5.368 0.037 2.435) 5.895 2.766 ( 5.368 0.037 2.435) 5.895 3.208 ( -7.934 4.566 -8.563) 12.535 3.208 ( 7.934 4.566 -8.563) 12.535 3.619 ( -7.663 21.573 1.981) 22.979 3.619 ( 7.663 21.573 1.981) 22.979 3.952 ( -5.975 -1.848 2.388) 6.695 3.952 ( 5.975 -1.848 2.388) 6.695 5.731 ( -1.601 25.623 -0.987) 25.692 5.731 ( 1.601 25.623 -0.987) 25.692 5.908 ( -0.166 -5.326 2.671) 5.961 5.908 ( 0.166 -5.326 2.671) 5.961 6.778 ( -12.176 -9.251 6.003) 16.428 6.778 ( 12.176 -9.251 6.003) 16.428 7.208 ( -0.993 4.896 2.041) 5.397 7.208 ( 0.993 4.896 2.041) 5.397 7.390 ( -1.319 6.801 1.166) 7.025 7.390 ( 1.319 6.801 1.166) 7.025 7.501 ( -12.546 0.938 -2.329) 12.795 7.501 ( 12.546 0.938 -2.329) 12.795 7.936 ( -0.874 11.707 -0.998) 11.782 7.936 ( 0.874 11.707 -0.998) 11.782 8.143 ( -8.334 16.029 -3.452) 18.393 8.143 ( 8.334 16.029 -3.452) 18.393 8.379 ( -7.681 14.600 3.536) 16.872 8.379 ( 7.681 14.600 3.536) 16.872 9.228 ( -11.481 -7.156 -8.939) 16.215 9.228 ( 11.481 -7.156 -8.939) 16.215 10.433 ( -13.101 -3.690 6.914) 15.266 10.433 ( 13.101 -3.690 6.914) 15.266 11.234 ( -19.094 -6.764 -9.407) 22.334 11.234 ( 19.094 -6.764 -9.407) 22.334 14.201 ( -6.147 11.127 -1.105) 12.759 14.201 ( 6.147 11.127 -1.105) 12.759 15.419 ( -0.933 25.454 0.140) 25.471 15.419 ( 0.933 25.454 0.140) 25.471 16.050 ( -9.277 -25.428 -17.723) 32.353 16.050 ( 9.277 -25.428 -17.723) 32.353 18.929 ( -6.843 -16.915 16.038) 24.294 18.929 ( 6.843 -16.915 16.038) 24.294 19.733 ( -5.980 5.492 5.245) 9.666 19.733 ( 5.980 5.492 5.245) 9.666 20.415 ( -6.085 21.698 1.707) 22.599 20.415 ( 6.085 21.698 1.707) 22.599 22.141 ( -15.249 -12.328 9.764) 21.906 22.141 ( 15.249 -12.328 9.764) 21.906 23.207 ( -1.338 -2.056 -2.112) 3.237 23.207 ( 1.338 -2.056 -2.112) 3.237 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 8.923 7.498) 11.655 0.643 ( 0.000 6.897 -0.356) 6.906 0.678 ( 0.000 1.299 4.356) 4.545 0.726 ( 0.000 2.211 4.261) 4.800 0.833 ( 0.000 2.356 5.919) 6.371 0.959 ( 0.000 11.736 -0.501) 11.747 1.113 ( 0.000 2.998 -2.209) 3.724 1.175 ( 0.000 5.431 0.069) 5.431 1.216 ( 0.000 2.779 1.033) 2.964 1.252 ( 0.000 0.993 1.918) 2.160 1.273 ( 0.000 0.074 2.389) 2.391 1.274 ( 0.000 1.363 0.436) 1.431 1.339 ( 0.000 3.266 5.386) 6.298 1.531 ( 0.000 3.030 -3.157) 4.376 1.589 ( 0.000 5.741 -1.724) 5.994 1.621 ( 0.000 4.385 0.844) 4.466 1.648 ( 0.000 6.425 1.491) 6.596 1.733 ( 0.000 7.756 -5.584) 9.557 1.844 ( 0.000 1.745 -4.667) 4.982 1.944 ( 0.000 0.022 -4.141) 4.141 2.224 ( 0.000 1.002 4.335) 4.450 2.380 ( 0.000 -2.863 3.516) 4.534 2.410 ( 0.000 -0.628 -1.377) 1.513 2.655 ( 0.000 1.803 -1.976) 2.675 2.777 ( 0.000 8.985 -2.988) 9.469 2.924 ( 0.000 3.191 -4.662) 5.650 3.071 ( 0.000 5.173 3.555) 6.277 3.205 ( 0.000 1.310 -0.264) 1.336 3.845 ( 0.000 8.465 4.324) 9.506 3.959 ( 0.000 5.357 -0.382) 5.370 4.403 ( 0.000 32.939 -0.807) 32.949 4.525 ( 0.000 41.718 -5.080) 42.026 5.765 ( 0.000 -11.258 5.327) 12.454 5.965 ( 0.000 -9.369 0.163) 9.370 6.044 ( 0.000 -6.407 9.233) 11.239 6.228 ( 0.000 21.517 1.788) 21.592 6.291 ( 0.000 22.667 -0.212) 22.668 6.694 ( 0.000 -13.404 0.964) 13.439 6.972 ( 0.000 -6.830 6.367) 9.338 7.317 ( 0.000 -0.646 2.491) 2.574 7.379 ( 0.000 2.974 -4.559) 5.444 7.558 ( 0.000 7.554 5.555) 9.377 7.618 ( 0.000 15.460 6.229) 16.668 7.782 ( 0.000 2.198 -0.481) 2.250 8.244 ( 0.000 9.955 -5.207) 11.235 8.254 ( 0.000 23.446 -3.293) 23.676 8.450 ( 0.000 28.377 1.115) 28.399 8.454 ( 0.000 12.530 -5.600) 13.725 8.685 ( 0.000 -1.912 6.197) 6.485 8.740 ( 0.000 18.266 -2.912) 18.497 9.242 ( 0.000 -0.727 -4.653) 4.709 9.426 ( 0.000 14.888 -18.953) 24.101 10.001 ( 0.000 -3.435 6.077) 6.981 10.578 ( 0.000 0.159 -8.287) 8.288 10.787 ( 0.000 0.183 -0.069) 0.195 11.410 ( 0.000 -14.584 -8.252) 16.757 14.176 ( 0.000 -1.287 1.485) 1.965 14.626 ( 0.000 -8.073 -15.449) 17.431 14.823 ( 0.000 -35.704 2.740) 35.809 15.134 ( 0.000 -44.472 -2.707) 44.554 16.145 ( 0.000 41.506 1.960) 41.553 16.898 ( 0.000 41.009 -40.566) 57.683 18.676 ( 0.000 -9.859 3.620) 10.502 18.753 ( 0.000 -13.210 -0.216) 13.212 19.607 ( 0.000 -13.179 26.714) 29.788 20.149 ( 0.000 -7.889 -3.507) 8.634 20.455 ( 0.000 -3.484 21.375) 21.657 20.839 ( 0.000 6.858 2.697) 7.369 21.822 ( 0.000 12.635 7.316) 14.601 22.047 ( 0.000 2.675 0.786) 2.788 23.134 ( 0.000 0.052 -0.451) 0.454 23.175 ( 0.000 -0.923 -0.976) 1.343 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.25 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -0.725 7.919 3.578) 8.720 0.602 ( -2.908 1.671 3.669) 4.971 0.738 ( 0.162 3.512 5.264) 6.330 0.761 ( 3.407 3.202 3.217) 5.675 0.816 ( 1.100 5.285 3.998) 6.717 1.000 ( -3.367 5.409 -0.605) 6.400 1.059 ( 2.294 7.789 1.163) 8.203 1.156 ( -1.820 4.096 -0.797) 4.552 1.193 ( -0.552 2.788 2.702) 3.921 1.248 ( -1.956 1.162 1.142) 2.546 1.271 ( 1.406 -1.376 -0.095) 1.970 1.304 ( 2.359 4.590 2.204) 5.612 1.382 ( 1.760 3.295 1.491) 4.022 1.448 ( -5.423 4.014 -2.992) 7.381 1.613 ( 0.571 7.296 0.020) 7.318 1.620 ( 0.029 4.324 0.601) 4.366 1.639 ( -0.552 5.642 1.120) 5.778 1.706 ( -3.197 9.442 -2.042) 10.176 1.852 ( 1.747 0.880 -5.847) 6.166 1.939 ( -0.725 0.022 -4.465) 4.524 2.234 ( 0.747 0.798 3.896) 4.047 2.309 ( -4.050 -0.781 2.673) 4.915 2.465 ( 3.107 -2.124 -1.249) 3.966 2.607 ( -4.133 -1.653 -2.732) 5.223 2.788 ( 2.132 11.712 -0.981) 11.944 2.930 ( -1.383 4.868 -1.480) 5.272 3.083 ( 2.718 3.188 -0.931) 4.291 3.218 ( -0.079 -1.515 -2.519) 2.941 3.866 ( 1.779 6.686 4.295) 8.143 3.940 ( -1.565 5.046 1.286) 5.437 4.393 ( -0.489 35.795 -1.717) 35.840 4.479 ( -3.869 41.472 -4.663) 41.912 5.757 ( -0.532 -10.600 4.952) 11.712 5.822 ( -5.727 -8.303 4.416) 11.011 6.186 ( 4.598 9.864 0.291) 10.886 6.263 ( 0.499 18.371 -0.129) 18.378 6.354 ( 9.148 4.858 5.269) 11.621 6.684 ( -2.858 -13.577 5.768) 15.026 7.056 ( 8.565 -3.964 1.037) 9.494 7.341 ( -0.029 -0.606 -1.216) 1.359 7.392 ( 2.680 4.821 -0.174) 5.519 7.548 ( -0.572 6.417 5.210) 8.285 7.619 ( -0.252 13.463 5.775) 14.651 7.737 ( -4.622 4.651 -2.630) 7.065 8.174 ( -1.669 7.469 -4.037) 8.652 8.315 ( 2.511 23.148 -1.333) 23.322 8.382 ( -3.457 14.967 0.988) 15.393 8.424 ( -6.359 19.231 2.464) 20.405 8.712 ( 7.700 24.493 -1.321) 25.709 8.876 ( 8.597 0.702 -5.030) 9.985 9.154 ( -8.220 11.409 -7.160) 15.780 9.303 ( -10.478 6.407 -13.248) 18.065 10.110 ( 9.996 -3.334 6.389) 12.323 10.551 ( -5.680 -3.746 1.173) 6.904 10.845 ( 8.169 0.129 -6.828) 10.647 11.319 ( -8.708 -12.434 -7.938) 17.130 14.193 ( 1.946 -1.733 1.369) 2.944 14.446 ( -10.937 -7.578 -5.100) 14.250 14.971 ( 8.373 -36.143 -4.476) 37.370 15.134 ( -0.393 -43.846 -3.513) 43.988 16.210 ( 6.598 41.732 0.074) 42.250 16.728 ( -14.726 41.954 -26.981) 52.009 18.651 ( -1.813 -8.990 4.077) 10.037 18.698 ( -3.541 -15.021 9.400) 18.070 19.628 ( 2.451 -8.052 13.557) 15.957 19.931 ( -12.971 -3.616 0.807) 13.489 20.626 ( 9.659 0.517 11.262) 14.846 20.832 ( -1.142 7.752 3.335) 8.516 21.866 ( 4.553 10.053 6.030) 12.576 22.064 ( -0.574 -1.501 1.252) 2.037 23.148 ( 1.231 -0.309 -0.957) 1.589 23.177 ( 0.118 -1.130 -1.132) 1.604 ======================= Grid point 77 (30/63) ======================= q-point: (-0.50 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -1.971 2.839 3.274) 4.761 0.554 ( 1.971 2.839 3.274) 4.761 0.753 ( -1.844 3.705 2.923) 5.066 0.753 ( 1.844 3.705 2.923) 5.066 0.895 ( -4.642 6.111 4.330) 8.812 0.895 ( 4.642 6.111 4.330) 8.812 1.124 ( -1.961 4.514 0.557) 4.953 1.124 ( 1.961 4.514 0.557) 4.953 1.208 ( -2.069 2.234 -0.196) 3.052 1.208 ( 2.069 2.234 -0.196) 3.052 1.318 ( -2.802 0.618 -0.715) 2.957 1.318 ( 2.802 0.618 -0.715) 2.957 1.383 ( -2.532 6.014 0.194) 6.529 1.383 ( 2.532 6.014 0.194) 6.529 1.615 ( -0.386 7.330 1.083) 7.419 1.615 ( 0.386 7.330 1.083) 7.419 1.646 ( -1.582 7.005 0.607) 7.207 1.646 ( 1.582 7.005 0.607) 7.207 1.905 ( -2.644 0.348 -5.549) 6.156 1.905 ( 2.644 0.348 -5.549) 6.156 2.252 ( -1.455 0.269 3.119) 3.452 2.252 ( 1.455 0.269 3.119) 3.452 2.528 ( -3.329 -2.594 -2.443) 4.876 2.528 ( 3.329 -2.594 -2.443) 4.876 2.860 ( -4.410 9.630 0.564) 10.607 2.860 ( 4.410 9.630 0.564) 10.607 3.170 ( -4.370 -1.682 -4.583) 6.552 3.170 ( 4.370 -1.682 -4.583) 6.552 3.905 ( -1.905 4.588 3.645) 6.162 3.905 ( 1.905 4.588 3.645) 6.162 4.408 ( -2.326 40.041 -3.469) 40.259 4.408 ( 2.326 40.041 -3.469) 40.259 5.758 ( -1.082 -9.246 4.533) 10.354 5.758 ( 1.082 -9.246 4.533) 10.354 6.246 ( -1.846 18.623 -1.241) 18.755 6.246 ( 1.846 18.623 -1.241) 18.755 6.558 ( -9.076 -9.806 7.515) 15.330 6.558 ( 9.076 -9.806 7.515) 15.330 7.249 ( -8.230 -0.536 -1.596) 8.401 7.249 ( 8.230 -0.536 -1.596) 8.401 7.503 ( -5.694 2.704 3.176) 7.058 7.503 ( 5.694 2.704 3.176) 7.058 7.631 ( -3.152 11.438 -0.571) 11.878 7.631 ( 3.152 11.438 -0.571) 11.878 8.234 ( -7.141 3.373 1.760) 8.091 8.234 ( 7.141 3.373 1.760) 8.091 8.362 ( -1.863 28.523 0.566) 28.590 8.362 ( 1.863 28.523 0.566) 28.590 8.922 ( -11.228 28.402 -5.823) 31.091 8.922 ( 11.228 28.402 -5.823) 31.091 9.084 ( -9.709 -4.959 -8.144) 13.608 9.084 ( 9.709 -4.959 -8.144) 13.608 10.352 ( -12.421 -3.936 6.075) 14.377 10.352 ( 12.421 -3.936 6.075) 14.377 11.085 ( -13.374 -6.579 -8.084) 16.955 11.085 ( 13.374 -6.579 -8.084) 16.955 14.270 ( -6.091 -3.487 0.022) 7.018 14.270 ( 6.091 -3.487 0.022) 7.018 15.096 ( -3.845 -41.154 -4.881) 41.620 15.096 ( 3.845 -41.154 -4.881) 41.620 16.418 ( -13.836 42.070 -8.139) 45.028 16.418 ( 13.836 42.070 -8.139) 45.028 18.645 ( -1.476 -11.893 8.827) 14.884 18.645 ( 1.476 -11.893 8.827) 14.884 19.724 ( -7.374 -3.234 2.353) 8.389 19.724 ( 7.374 -3.234 2.353) 8.389 20.774 ( -4.923 6.504 5.622) 9.907 20.774 ( 4.923 6.504 5.622) 9.907 21.987 ( -6.235 2.122 3.549) 7.481 21.987 ( 6.235 2.122 3.549) 7.481 23.172 ( -0.825 -1.091 -1.388) 1.948 23.172 ( 0.825 -1.091 -1.388) 1.948 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 0.000 4.430 3.413) 5.592 0.726 ( 0.000 4.440 1.613) 4.724 0.756 ( 0.000 7.494 5.084) 9.056 0.805 ( 0.000 4.799 2.721) 5.516 0.952 ( 0.000 6.088 2.627) 6.631 1.138 ( 0.000 5.475 -3.209) 6.346 1.166 ( 0.000 2.534 -1.256) 2.828 1.236 ( 0.000 2.457 -0.446) 2.498 1.260 ( 0.000 0.304 1.030) 1.074 1.270 ( 0.000 0.426 1.691) 1.743 1.299 ( 0.000 1.651 2.491) 2.989 1.365 ( 0.000 9.456 3.521) 10.091 1.436 ( 0.000 5.230 1.311) 5.392 1.592 ( 0.000 2.472 0.359) 2.498 1.711 ( 0.000 4.869 1.570) 5.116 1.739 ( 0.000 7.889 -1.803) 8.092 1.792 ( 0.000 7.854 0.354) 7.862 1.814 ( 0.000 0.268 -5.702) 5.708 1.884 ( 0.000 1.143 -2.386) 2.646 1.975 ( 0.000 4.363 -3.015) 5.303 2.249 ( 0.000 1.063 3.320) 3.486 2.342 ( 0.000 -0.754 3.269) 3.354 2.413 ( 0.000 1.003 -1.588) 1.878 2.605 ( 0.000 -4.201 -2.655) 4.970 3.040 ( 0.000 8.320 -1.510) 8.456 3.107 ( 0.000 18.967 -3.740) 19.332 3.243 ( 0.000 11.367 1.307) 11.442 3.264 ( 0.000 4.162 0.501) 4.192 4.057 ( 0.000 12.640 3.800) 13.199 4.130 ( 0.000 12.359 0.458) 12.367 5.040 ( 0.000 26.807 -1.803) 26.867 5.298 ( 0.000 31.360 -10.006) 32.918 5.501 ( 0.000 -14.402 6.153) 15.661 5.708 ( 0.000 -14.830 2.475) 15.035 5.897 ( 0.000 -7.413 7.715) 10.699 6.335 ( 0.000 -14.267 3.547) 14.702 6.596 ( 0.000 7.383 4.317) 8.553 6.609 ( 0.000 8.768 0.681) 8.794 6.873 ( 0.000 -2.926 -0.338) 2.945 7.273 ( 0.000 -3.105 1.923) 3.652 7.373 ( 0.000 -1.894 -8.439) 8.649 7.717 ( 0.000 7.557 11.631) 13.870 7.770 ( 0.000 0.966 8.152) 8.210 7.998 ( 0.000 15.709 -1.563) 15.786 8.367 ( 0.000 -2.802 -14.049) 14.326 8.409 ( 0.000 8.144 -4.435) 9.273 8.683 ( 0.000 2.216 3.480) 4.125 8.954 ( 0.000 22.151 1.888) 22.231 9.207 ( 0.000 17.148 -5.805) 18.104 9.213 ( 0.000 39.956 -2.440) 40.030 9.415 ( 0.000 24.740 -0.666) 24.749 9.625 ( 0.000 8.187 -7.179) 10.888 9.989 ( 0.000 5.744 8.937) 10.623 10.560 ( 0.000 -1.459 0.098) 1.463 10.914 ( 0.000 11.766 -6.118) 13.261 11.183 ( 0.000 -5.795 -4.243) 7.182 14.075 ( 0.000 -15.082 0.548) 15.092 14.110 ( 0.000 -25.179 1.936) 25.253 14.230 ( 0.000 -36.261 -2.963) 36.382 14.443 ( 0.000 -15.117 -8.148) 17.173 16.916 ( 0.000 32.156 3.089) 32.304 17.484 ( 0.000 18.022 -19.991) 26.915 18.436 ( 0.000 -12.594 5.105) 13.589 18.519 ( 0.000 -10.451 -0.463) 10.461 19.434 ( 0.000 -3.056 18.893) 19.139 19.974 ( 0.000 -8.173 -1.977) 8.408 20.361 ( 0.000 -6.042 8.282) 10.252 20.748 ( 0.000 -12.775 -1.272) 12.838 22.189 ( 0.000 19.577 1.611) 19.643 22.256 ( 0.000 14.944 0.102) 14.945 23.147 ( 0.000 0.970 -0.565) 1.122 23.175 ( 0.000 0.794 -1.097) 1.354 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.25 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -2.440 5.558 1.513) 6.256 0.684 ( -2.997 6.445 0.860) 7.160 0.808 ( 2.378 4.341 4.875) 6.947 0.835 ( 1.231 4.463 4.695) 6.594 0.978 ( 2.553 7.251 2.806) 8.183 1.097 ( -2.860 4.084 -0.309) 4.995 1.170 ( -3.490 1.210 1.462) 3.972 1.197 ( 0.463 3.041 0.456) 3.110 1.234 ( -1.251 0.686 0.268) 1.452 1.280 ( -0.043 2.538 0.344) 2.562 1.306 ( 2.585 3.736 0.324) 4.555 1.429 ( 2.175 6.919 2.216) 7.584 1.451 ( 1.526 4.220 -1.651) 4.781 1.557 ( -2.579 5.057 1.431) 5.854 1.703 ( 0.108 4.532 -0.006) 4.533 1.747 ( -0.717 5.358 0.579) 5.437 1.789 ( 0.708 8.668 -0.291) 8.702 1.847 ( 2.851 1.517 -5.061) 6.004 1.868 ( -1.593 2.502 -2.066) 3.615 1.959 ( -1.609 3.722 -2.270) 4.647 2.255 ( 0.522 1.060 2.974) 3.200 2.306 ( -2.575 0.539 2.801) 3.842 2.443 ( 2.260 -0.115 -1.789) 2.884 2.560 ( -3.584 -2.701 -2.725) 5.251 3.059 ( 1.906 7.984 -1.331) 8.315 3.119 ( 0.696 18.136 -2.729) 18.353 3.222 ( -1.595 8.558 0.145) 8.707 3.247 ( -1.611 5.911 0.040) 6.127 4.058 ( 0.234 12.389 3.440) 12.860 4.107 ( -1.857 12.090 1.217) 12.292 5.065 ( 2.585 27.785 -2.822) 28.048 5.249 ( -4.486 30.977 -8.679) 32.481 5.511 ( 0.858 -12.877 6.060) 14.258 5.613 ( -5.298 -12.217 4.996) 14.223 6.025 ( 8.593 -11.548 5.042) 15.251 6.293 ( -3.841 -14.251 3.479) 15.164 6.604 ( 1.059 8.599 2.815) 9.110 6.620 ( 0.581 4.969 4.238) 6.557 7.004 ( 10.772 -1.054 -3.811) 11.474 7.278 ( 0.160 -4.236 -3.273) 5.355 7.442 ( 5.358 0.263 -1.895) 5.690 7.669 ( -4.415 5.807 10.440) 12.736 7.764 ( 0.289 3.143 5.342) 6.204 7.964 ( -4.370 12.377 -4.029) 13.731 8.262 ( -2.139 4.267 -3.582) 5.968 8.442 ( -4.037 5.376 0.597) 6.750 8.736 ( 6.952 2.434 -6.573) 9.872 8.998 ( 1.907 14.857 0.647) 14.992 9.102 ( -3.547 29.202 -3.457) 29.619 9.309 ( -1.809 27.765 -2.720) 27.957 9.359 ( 1.621 25.649 -2.405) 25.812 9.600 ( -3.332 17.052 -6.715) 18.627 10.081 ( 8.496 2.800 8.405) 12.274 10.486 ( -7.156 -2.019 2.480) 7.838 10.940 ( 2.894 9.444 -5.843) 11.476 11.139 ( -4.177 -3.464 -4.216) 6.872 14.061 ( -0.897 -17.420 1.146) 17.481 14.088 ( -1.779 -23.819 2.124) 23.980 14.271 ( 3.486 -31.802 -3.528) 32.187 14.417 ( -2.497 -18.904 -7.000) 20.312 16.974 ( 5.782 31.151 1.994) 31.746 17.374 ( -9.998 21.467 -13.108) 27.067 18.422 ( -0.802 -11.855 5.182) 12.963 18.475 ( -2.906 -8.744 0.928) 9.261 19.511 ( 6.419 -2.839 11.082) 13.118 19.842 ( -9.445 -4.464 -0.140) 10.447 20.496 ( 9.501 -10.221 5.781) 15.105 20.736 ( -1.676 -13.376 0.004) 13.481 22.199 ( 0.916 18.791 1.322) 18.859 22.248 ( -0.839 15.154 0.220) 15.178 23.154 ( 0.652 0.758 -0.727) 1.236 23.174 ( -0.132 0.631 -1.082) 1.260 ======================= Grid point 82 (33/63) ======================= q-point: (-0.50 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -0.669 6.025 0.348) 6.072 0.644 ( 0.669 6.025 0.348) 6.072 0.839 ( -0.748 4.501 5.002) 6.770 0.839 ( 0.748 4.501 5.002) 6.770 1.036 ( -2.931 7.044 2.324) 7.976 1.036 ( 2.931 7.044 2.324) 7.976 1.152 ( -1.742 -0.549 2.212) 2.868 1.152 ( 1.742 -0.549 2.212) 2.868 1.266 ( -1.505 2.291 -0.126) 2.744 1.266 ( 1.505 2.291 -0.126) 2.744 1.378 ( -4.232 4.933 -2.178) 6.855 1.378 ( 4.232 4.933 -2.178) 6.855 1.512 ( -2.454 6.283 1.218) 6.854 1.512 ( 2.454 6.283 1.218) 6.854 1.720 ( -1.409 4.509 0.037) 4.724 1.720 ( 1.409 4.509 0.037) 4.724 1.822 ( -2.343 7.166 -0.635) 7.566 1.822 ( 2.343 7.166 -0.635) 7.566 1.912 ( -2.952 1.828 -3.047) 4.619 1.912 ( 2.952 1.828 -3.047) 4.619 2.268 ( -0.984 1.141 2.618) 3.021 2.268 ( 0.984 1.141 2.618) 3.021 2.493 ( -2.762 -1.102 -2.456) 3.856 2.493 ( 2.762 -1.102 -2.456) 3.856 3.107 ( -2.169 11.475 -1.214) 11.741 3.107 ( 2.169 11.475 -1.214) 11.741 3.213 ( -1.157 7.832 -0.981) 7.977 3.213 ( 1.157 7.832 -0.981) 7.977 4.073 ( -1.293 11.999 2.503) 12.325 4.073 ( 1.293 11.999 2.503) 12.325 5.144 ( -5.040 29.690 -5.586) 30.629 5.144 ( 5.040 29.690 -5.586) 30.629 5.539 ( -2.216 -11.813 5.869) 13.376 5.539 ( 2.216 -11.813 5.869) 13.376 6.185 ( -6.829 -13.817 3.913) 15.901 6.185 ( 6.829 -13.817 3.913) 15.901 6.623 ( -0.436 6.560 3.724) 7.556 6.623 ( 0.436 6.560 3.724) 7.556 7.213 ( -7.822 -2.766 -6.297) 10.415 7.213 ( 7.822 -2.766 -6.297) 10.415 7.556 ( -6.055 2.623 6.547) 9.296 7.556 ( 6.055 2.623 6.547) 9.296 7.835 ( -6.587 7.455 -1.941) 10.136 7.835 ( 6.587 7.455 -1.941) 10.136 8.317 ( -6.160 6.424 2.590) 9.269 8.317 ( 6.160 6.424 2.590) 9.269 8.905 ( -8.246 6.430 -8.212) 13.296 8.905 ( 8.246 6.430 -8.212) 13.296 9.170 ( -7.226 26.578 1.060) 27.563 9.170 ( 7.226 26.578 1.060) 27.563 9.488 ( -7.012 27.027 -5.448) 28.448 9.488 ( 7.012 27.027 -5.448) 28.448 10.292 ( -11.177 -0.901 6.133) 12.781 10.292 ( 11.177 -0.901 6.133) 12.781 11.032 ( -5.696 2.755 -4.759) 7.917 11.032 ( 5.696 2.755 -4.759) 7.917 14.058 ( -0.799 -20.372 2.028) 20.488 14.058 ( 0.799 -20.372 2.028) 20.488 14.349 ( -3.924 -25.761 -4.983) 26.530 14.349 ( 3.924 -25.761 -4.983) 26.530 17.146 ( -10.874 27.549 -2.742) 29.744 17.146 ( 10.874 27.549 -2.742) 29.744 18.429 ( -1.552 -9.499 2.866) 10.043 18.429 ( 1.552 -9.499 2.866) 10.043 19.660 ( -8.207 -2.451 2.921) 9.049 19.660 ( 8.207 -2.451 2.921) 9.049 20.661 ( -6.065 -13.164 2.787) 14.759 20.661 ( 6.065 -13.164 2.787) 14.759 22.224 ( -1.435 16.743 0.703) 16.819 22.224 ( 1.435 16.743 0.703) 16.819 23.167 ( -0.532 0.503 -0.981) 1.224 23.167 ( 0.532 0.503 -0.981) 1.224 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 5.262 3.271) 6.196 0.835 ( 0.000 5.700 0.096) 5.701 0.898 ( 0.000 6.135 2.623) 6.672 0.917 ( 0.000 5.645 3.493) 6.638 1.028 ( 0.000 1.695 1.431) 2.218 1.190 ( 0.000 0.557 -1.450) 1.553 1.223 ( 0.000 2.958 -0.870) 3.084 1.231 ( 0.000 -1.108 3.016) 3.213 1.284 ( 0.000 2.309 1.085) 2.552 1.354 ( 0.000 3.692 3.393) 5.014 1.371 ( 0.000 6.545 -3.397) 7.374 1.511 ( 0.000 2.302 -1.828) 2.939 1.530 ( 0.000 5.707 1.128) 5.817 1.638 ( 0.000 2.381 1.669) 2.907 1.791 ( 0.000 -1.510 -3.844) 4.130 1.806 ( 0.000 -1.635 -2.796) 3.239 1.829 ( 0.000 6.628 2.391) 7.046 1.951 ( 0.000 7.286 -0.197) 7.288 1.969 ( 0.000 7.279 -1.968) 7.540 2.070 ( 0.000 3.730 -2.794) 4.661 2.258 ( 0.000 0.033 2.903) 2.903 2.356 ( 0.000 2.113 2.683) 3.415 2.447 ( 0.000 1.944 -2.145) 2.895 2.512 ( 0.000 -4.491 -1.316) 4.680 3.251 ( 0.000 11.961 1.956) 12.120 3.366 ( 0.000 5.908 2.710) 6.500 3.434 ( 0.000 12.554 -1.014) 12.595 3.531 ( 0.000 15.614 -2.340) 15.788 4.324 ( 0.000 12.084 1.881) 12.230 4.424 ( 0.000 14.501 -1.626) 14.592 5.194 ( 0.000 -15.323 6.528) 16.655 5.374 ( 0.000 -16.835 3.475) 17.190 5.448 ( 0.000 13.365 -0.002) 13.365 5.743 ( 0.000 10.427 -8.101) 13.204 5.792 ( 0.000 -0.945 4.434) 4.534 6.101 ( 0.000 -4.020 5.025) 6.435 6.650 ( 0.000 -1.477 1.030) 1.800 6.678 ( 0.000 -1.022 0.704) 1.241 6.850 ( 0.000 -0.358 -7.266) 7.275 7.226 ( 0.000 -0.672 1.963) 2.074 7.329 ( 0.000 -2.558 -9.318) 9.663 7.767 ( 0.000 -1.238 5.834) 5.964 7.845 ( 0.000 4.839 15.185) 15.937 8.143 ( 0.000 -3.994 -17.176) 17.634 8.442 ( 0.000 12.716 0.380) 12.721 8.589 ( 0.000 9.542 -2.485) 9.861 8.770 ( 0.000 6.076 1.858) 6.354 9.186 ( 0.000 8.108 -3.221) 8.725 9.444 ( 0.000 4.203 -1.023) 4.326 9.603 ( 0.000 3.675 -9.353) 10.049 9.792 ( 0.000 8.064 12.055) 14.504 10.049 ( 0.000 21.130 4.919) 21.695 10.443 ( 0.000 33.481 0.482) 33.485 10.615 ( 0.000 11.598 0.610) 11.614 11.192 ( 0.000 13.505 -3.000) 13.834 11.214 ( 0.000 7.523 -1.184) 7.616 13.551 ( 0.000 -18.727 0.519) 18.734 13.623 ( 0.000 -20.499 -1.107) 20.529 13.930 ( 0.000 -7.551 1.199) 7.645 14.160 ( 0.000 -13.321 -5.114) 14.269 17.424 ( 0.000 18.449 2.930) 18.680 17.699 ( 0.000 4.918 -4.518) 6.678 18.218 ( 0.000 -8.261 0.494) 8.276 18.313 ( 0.000 -9.947 -1.777) 10.105 19.441 ( 0.000 2.743 9.040) 9.447 19.841 ( 0.000 -4.728 -1.927) 5.105 20.223 ( 0.000 -7.261 3.076) 7.885 20.440 ( 0.000 -15.921 -1.857) 16.029 22.541 ( 0.000 14.535 0.284) 14.538 22.549 ( 0.000 12.736 0.141) 12.737 23.158 ( 0.000 -0.308 -0.289) 0.422 23.191 ( 0.000 0.248 -1.086) 1.114 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.25 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -1.403 6.845 0.223) 6.991 0.820 ( -1.983 6.557 -1.049) 6.930 0.908 ( 1.086 4.986 4.229) 6.628 0.928 ( 0.507 4.391 4.276) 6.150 1.065 ( 3.287 1.722 2.506) 4.478 1.162 ( -1.865 2.499 0.304) 3.133 1.184 ( -1.901 0.639 1.215) 2.345 1.236 ( -3.118 0.732 2.013) 3.783 1.276 ( 1.337 3.502 0.005) 3.748 1.332 ( -1.359 3.189 2.388) 4.209 1.411 ( 2.975 5.311 -2.598) 6.618 1.504 ( -1.086 1.917 -1.937) 2.933 1.567 ( 2.905 4.718 0.191) 5.544 1.637 ( -0.135 3.406 1.144) 3.596 1.786 ( -0.511 1.285 -1.903) 2.352 1.792 ( -0.172 -0.928 -2.662) 2.824 1.865 ( 1.928 2.987 0.383) 3.576 1.922 ( -1.806 6.323 -0.739) 6.617 1.989 ( 1.504 7.617 -1.580) 7.923 2.063 ( -0.924 4.469 -2.185) 5.060 2.271 ( 1.060 0.622 2.633) 2.906 2.333 ( -1.912 2.257 2.602) 3.940 2.455 ( 0.771 1.011 -2.148) 2.496 2.498 ( -1.150 -3.109 -1.589) 3.677 3.251 ( 0.446 10.844 1.984) 11.033 3.337 ( -2.599 6.685 2.510) 7.599 3.450 ( 1.330 12.929 -1.261) 13.058 3.514 ( -1.526 15.393 -2.257) 15.632 4.329 ( 0.610 12.709 1.785) 12.848 4.398 ( -2.245 14.523 -0.544) 14.706 5.203 ( 1.068 -14.869 6.144) 16.124 5.318 ( -4.126 -14.404 4.002) 15.508 5.497 ( 4.371 12.330 -0.608) 13.096 5.708 ( -3.262 9.808 -5.630) 11.770 5.861 ( 5.037 -1.137 2.296) 5.651 6.054 ( -4.054 -4.742 4.284) 7.568 6.631 ( 0.511 -3.005 1.743) 3.511 6.680 ( 0.043 -0.172 1.934) 1.942 6.988 ( 9.311 -1.514 -10.030) 13.769 7.201 ( -1.292 -3.013 -5.769) 6.635 7.433 ( 7.836 -0.651 -0.039) 7.863 7.757 ( -4.539 1.858 12.096) 13.052 7.808 ( 1.047 1.653 3.784) 4.260 8.071 ( -6.373 -1.402 -11.143) 12.913 8.446 ( 1.161 13.226 1.832) 13.403 8.585 ( -3.108 8.328 1.291) 8.982 8.804 ( 5.723 5.739 -5.525) 9.809 9.133 ( -5.879 5.730 -6.828) 10.678 9.464 ( 3.181 7.609 0.037) 8.247 9.667 ( 0.116 8.336 -2.738) 8.775 9.770 ( 3.146 4.851 8.136) 9.981 10.039 ( -2.021 16.074 3.954) 16.676 10.452 ( 0.936 31.448 0.937) 31.476 10.567 ( -4.030 15.409 1.385) 15.988 11.189 ( -0.102 12.923 -2.395) 13.143 11.209 ( -0.549 8.812 -1.254) 8.918 13.557 ( 0.695 -18.586 0.550) 18.607 13.609 ( -1.266 -19.756 -0.509) 19.804 13.957 ( 2.623 -8.766 0.306) 9.156 14.118 ( -3.732 -12.723 -3.982) 13.844 17.454 ( 2.992 16.922 2.685) 17.392 17.648 ( -4.614 7.321 -2.007) 8.883 18.223 ( 0.907 -7.626 -0.696) 7.711 18.298 ( -1.510 -8.741 -2.001) 9.094 19.503 ( 5.500 1.614 6.885) 8.959 19.770 ( -5.963 -2.436 -0.159) 6.443 20.281 ( 4.545 -10.398 1.729) 11.479 20.423 ( -1.697 -15.761 -1.324) 15.907 22.541 ( 0.046 14.267 0.216) 14.269 22.547 ( -0.170 13.017 0.123) 13.019 23.163 ( 0.518 -0.302 -0.420) 0.732 23.187 ( -0.399 0.097 -0.983) 1.066 ======================= Grid point 87 (36/63) ======================= q-point: (-0.50 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -0.892 7.444 -1.746) 7.698 0.786 ( 0.892 7.444 -1.746) 7.698 0.927 ( -0.623 4.012 4.929) 6.386 0.927 ( 0.623 4.012 4.929) 6.386 1.137 ( -2.462 1.321 2.124) 3.510 1.137 ( 2.462 1.321 2.124) 3.510 1.163 ( -2.041 2.952 2.031) 4.123 1.163 ( 2.041 2.952 2.031) 4.123 1.307 ( -1.378 2.444 0.828) 2.925 1.307 ( 1.378 2.444 0.828) 2.925 1.467 ( -2.436 3.153 -2.057) 4.484 1.467 ( 2.436 3.153 -2.057) 4.484 1.620 ( -1.861 4.232 -0.049) 4.623 1.620 ( 1.861 4.232 -0.049) 4.623 1.786 ( -0.326 0.498 -1.939) 2.028 1.786 ( 0.326 0.498 -1.939) 2.028 1.893 ( -1.109 4.016 -0.675) 4.220 1.893 ( 1.109 4.016 -0.675) 4.220 2.030 ( -2.193 6.385 -1.467) 6.909 2.030 ( 2.193 6.385 -1.467) 6.909 2.296 ( -1.512 1.742 2.469) 3.379 2.296 ( 1.512 1.742 2.469) 3.379 2.475 ( -1.102 -0.815 -2.011) 2.434 2.475 ( 1.102 -0.815 -2.011) 2.434 3.281 ( -2.467 8.568 2.113) 9.163 3.281 ( 2.467 8.568 2.113) 9.163 3.480 ( -1.612 14.248 -1.799) 14.452 3.480 ( 1.612 14.248 -1.799) 14.452 4.353 ( -1.806 13.913 1.096) 14.073 4.353 ( 1.806 13.913 1.096) 14.073 5.243 ( -2.952 -14.154 5.255) 15.384 5.243 ( 2.952 -14.154 5.255) 15.384 5.609 ( -5.999 12.260 -3.388) 14.063 5.609 ( 5.999 12.260 -3.388) 14.063 5.963 ( -4.809 -4.719 3.266) 7.487 5.963 ( 4.809 -4.719 3.266) 7.487 6.664 ( -1.695 -1.521 2.139) 3.124 6.664 ( 1.695 -1.521 2.139) 3.124 7.143 ( -5.351 -3.971 -10.960) 12.827 7.143 ( 5.351 -3.971 -10.960) 12.827 7.603 ( -8.702 1.822 8.668) 12.417 7.603 ( 8.702 1.822 8.668) 12.417 7.918 ( -7.909 0.781 -3.360) 8.629 7.918 ( 7.909 0.781 -3.360) 8.629 8.498 ( -3.971 10.926 2.718) 11.939 8.498 ( 3.971 10.926 2.718) 11.939 8.970 ( -9.219 4.547 -9.394) 13.925 8.970 ( 9.219 4.547 -9.394) 13.925 9.567 ( -6.274 10.292 3.392) 12.522 9.567 ( 6.274 10.292 3.392) 12.522 9.933 ( -8.366 7.069 1.970) 11.128 9.933 ( 8.366 7.069 1.970) 11.128 10.489 ( -3.022 24.820 1.996) 25.083 10.489 ( 3.022 24.820 1.996) 25.083 11.195 ( -0.651 11.204 -1.565) 11.331 11.195 ( 0.651 11.204 -1.565) 11.331 13.579 ( -1.437 -18.749 0.317) 18.807 13.579 ( 1.437 -18.749 0.317) 18.807 14.030 ( -4.408 -11.035 -1.707) 12.005 14.030 ( 4.408 -11.035 -1.707) 12.005 17.540 ( -5.293 12.623 1.349) 13.754 17.540 ( 5.293 12.623 1.349) 13.754 18.258 ( -2.197 -7.469 -1.995) 8.037 18.258 ( 2.197 -7.469 -1.995) 8.037 19.635 ( -6.965 -0.029 3.032) 7.596 19.635 ( 6.965 -0.029 3.032) 7.596 20.369 ( -3.702 -14.239 -0.005) 14.712 20.369 ( 3.702 -14.239 -0.005) 14.712 22.544 ( -0.174 13.650 0.128) 13.651 22.544 ( 0.174 13.650 0.128) 13.651 23.176 ( -0.637 -0.176 -0.716) 0.974 23.176 ( 0.637 -0.176 -0.716) 0.974 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.000 4.493 2.075) 4.949 0.935 ( 0.000 3.798 -1.474) 4.074 1.001 ( 0.000 3.832 0.871) 3.930 1.009 ( 0.000 2.687 2.783) 3.868 1.058 ( 0.000 2.410 2.086) 3.188 1.173 ( 0.000 -1.568 1.639) 2.268 1.227 ( 0.000 0.584 0.444) 0.734 1.273 ( 0.000 1.619 -0.434) 1.676 1.351 ( 0.000 3.893 0.617) 3.942 1.433 ( 0.000 3.673 2.596) 4.497 1.470 ( 0.000 2.530 -2.581) 3.614 1.533 ( 0.000 0.243 -1.491) 1.511 1.602 ( 0.000 2.255 -0.460) 2.302 1.695 ( 0.000 2.682 -1.117) 2.905 1.754 ( 0.000 -2.093 -3.913) 4.437 1.764 ( 0.000 -1.844 -2.780) 3.336 1.962 ( 0.000 5.946 2.224) 6.348 2.071 ( 0.000 4.228 -0.264) 4.236 2.082 ( 0.000 2.845 -1.702) 3.315 2.120 ( 0.000 1.505 -1.056) 1.839 2.271 ( 0.000 1.789 2.702) 3.240 2.418 ( 0.000 3.529 0.794) 3.617 2.422 ( 0.000 -3.238 -0.554) 3.285 2.494 ( 0.000 1.526 -1.886) 2.426 3.492 ( 0.000 9.367 4.755) 10.505 3.514 ( 0.000 10.350 5.130) 11.552 3.644 ( 0.000 7.973 1.928) 8.203 3.781 ( 0.000 7.881 -1.138) 7.963 4.477 ( 0.000 2.417 -0.513) 2.471 4.619 ( 0.000 3.278 -4.717) 5.744 4.903 ( 0.000 -12.226 5.908) 13.578 5.052 ( 0.000 -14.038 3.326) 14.427 5.638 ( 0.000 7.098 2.802) 7.631 5.815 ( 0.000 2.181 0.787) 2.319 5.918 ( 0.000 13.042 -0.604) 13.056 6.184 ( 0.000 7.188 0.521) 7.207 6.603 ( 0.000 -5.607 -0.281) 5.614 6.607 ( 0.000 -1.531 -7.074) 7.237 6.818 ( 0.000 -2.538 -10.688) 10.985 7.248 ( 0.000 -6.047 -8.694) 10.590 7.260 ( 0.000 3.893 1.760) 4.272 7.701 ( 0.000 -5.969 -0.893) 6.035 7.909 ( 0.000 1.540 13.890) 13.975 8.017 ( 0.000 -5.808 -12.291) 13.594 8.722 ( 0.000 13.236 1.858) 13.366 8.785 ( 0.000 9.690 4.344) 10.619 8.920 ( 0.000 7.960 0.396) 7.970 9.338 ( 0.000 2.381 -0.086) 2.382 9.462 ( 0.000 2.890 7.672) 8.198 9.650 ( 0.000 1.691 -7.345) 7.538 9.889 ( 0.000 3.569 5.379) 6.455 10.173 ( 0.000 -2.256 6.060) 6.466 10.967 ( 0.000 15.093 -0.180) 15.094 10.992 ( 0.000 17.788 -0.824) 17.807 11.351 ( 0.000 2.875 0.155) 2.880 11.379 ( 0.000 3.506 -0.679) 3.571 13.389 ( 0.000 2.512 0.874) 2.660 13.447 ( 0.000 2.492 -0.405) 2.524 13.816 ( 0.000 -3.425 0.824) 3.523 13.925 ( 0.000 -9.421 -1.967) 9.624 17.706 ( 0.000 10.413 1.571) 10.531 17.756 ( 0.000 2.237 1.224) 2.550 18.091 ( 0.000 -4.876 -2.933) 5.690 18.119 ( 0.000 -9.077 -2.531) 9.423 19.524 ( 0.000 5.242 3.823) 6.488 19.782 ( 0.000 -1.269 -2.546) 2.845 20.075 ( 0.000 -7.078 1.119) 7.166 20.139 ( 0.000 -13.241 -0.007) 13.241 22.762 ( 0.000 8.441 0.144) 8.443 22.781 ( 0.000 9.488 -0.295) 9.493 23.122 ( 0.000 -3.284 0.044) 3.285 23.166 ( 0.000 -2.873 -1.020) 3.049 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -0.269 5.180 -0.850) 5.256 0.940 ( 0.148 4.974 -1.297) 5.142 0.986 ( -0.320 2.699 1.662) 3.186 1.014 ( -0.602 3.776 2.502) 4.569 1.091 ( 3.212 1.361 3.313) 4.811 1.179 ( 0.320 -0.964 1.625) 1.917 1.202 ( -1.601 1.318 0.004) 2.073 1.246 ( -2.737 0.533 1.156) 3.019 1.357 ( 0.664 4.139 0.716) 4.253 1.410 ( -1.767 3.871 2.132) 4.760 1.483 ( 0.906 1.588 -1.730) 2.517 1.524 ( -0.864 0.199 -1.409) 1.665 1.632 ( 2.626 2.331 -1.095) 3.679 1.700 ( 0.152 2.368 -1.559) 2.839 1.758 ( 0.290 -1.950 -3.242) 3.795 1.765 ( 0.041 -1.770 -2.628) 3.169 1.968 ( 0.721 5.377 1.318) 5.583 2.037 ( -2.288 4.560 -0.475) 5.124 2.099 ( 1.005 2.603 -1.234) 3.051 2.120 ( -0.070 1.519 -0.923) 1.779 2.296 ( 2.141 2.209 2.168) 3.764 2.396 ( -2.045 3.516 0.981) 4.184 2.434 ( 1.088 -2.378 -0.802) 2.735 2.484 ( -0.912 0.923 -1.720) 2.154 3.480 ( -0.841 10.527 4.951) 11.664 3.496 ( -1.298 9.459 4.679) 10.633 3.668 ( 1.970 8.050 1.273) 8.384 3.762 ( -1.816 7.966 -0.705) 8.201 4.502 ( 2.309 3.543 -0.314) 4.241 4.606 ( -1.425 4.855 -3.193) 5.983 4.910 ( 0.920 -13.165 5.540) 14.312 5.016 ( -3.089 -13.750 3.801) 14.596 5.671 ( 3.047 6.540 2.373) 7.595 5.805 ( -2.008 6.769 -0.521) 7.079 5.919 ( 2.448 4.826 2.087) 5.800 6.161 ( -4.758 9.512 -3.975) 11.354 6.539 ( 1.650 -5.119 -0.490) 5.401 6.654 ( -0.159 -0.478 -2.216) 2.272 6.927 ( 7.292 -4.550 -14.096) 16.510 7.141 ( -4.507 -4.020 -9.893) 11.591 7.428 ( 9.808 0.600 3.438) 10.410 7.732 ( 2.932 -4.446 1.617) 5.566 7.827 ( -6.113 0.514 8.008) 10.087 7.996 ( -3.374 -4.582 -5.836) 8.151 8.719 ( 0.181 12.604 1.821) 12.736 8.778 ( -1.507 10.835 4.960) 12.011 8.953 ( 4.440 7.707 -3.220) 9.460 9.255 ( -7.157 4.130 -4.015) 9.187 9.546 ( 6.949 3.036 6.112) 9.740 9.730 ( 7.345 -0.817 -1.119) 7.474 9.829 ( -5.431 3.972 5.028) 8.399 10.103 ( -6.746 -3.219 5.662) 9.377 10.964 ( -0.030 16.082 -0.034) 16.082 10.987 ( -0.544 17.374 -0.388) 17.387 11.356 ( 0.430 3.048 0.031) 3.079 11.374 ( -0.371 3.524 -0.515) 3.580 13.397 ( 0.793 2.570 0.736) 2.789 13.438 ( -0.783 2.533 -0.174) 2.657 13.825 ( 0.963 -4.153 0.540) 4.297 13.902 ( -2.060 -8.384 -1.399) 8.746 17.709 ( 0.372 9.352 1.754) 9.523 17.745 ( -0.997 3.742 1.711) 4.233 18.098 ( 0.736 -5.420 -3.459) 6.472 18.124 ( 0.175 -8.182 -2.980) 8.710 19.566 ( 3.865 4.438 3.501) 6.848 19.749 ( -3.200 0.399 -0.605) 3.281 20.082 ( 0.740 -9.214 -0.007) 9.244 20.129 ( -0.929 -12.704 -0.344) 12.743 22.764 ( 0.212 8.604 0.050) 8.607 22.778 ( -0.310 9.339 -0.257) 9.348 23.129 ( 0.606 -3.246 -0.125) 3.304 23.160 ( -0.617 -2.953 -0.878) 3.142 ======================= Grid point 92 (39/63) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -0.994 6.001 -2.835) 6.711 0.927 ( 0.994 6.001 -2.835) 6.711 0.996 ( -1.057 2.833 3.166) 4.378 0.996 ( 1.057 2.833 3.166) 4.378 1.164 ( -3.248 1.481 2.813) 4.545 1.164 ( 3.248 1.481 2.813) 4.545 1.190 ( -1.092 -0.219 0.854) 1.403 1.190 ( 1.092 -0.219 0.854) 1.403 1.377 ( -1.315 4.012 1.471) 4.471 1.377 ( 1.315 4.012 1.471) 4.471 1.502 ( -1.083 0.564 -1.280) 1.769 1.502 ( 1.083 0.564 -1.280) 1.769 1.684 ( -1.935 2.058 -1.775) 3.336 1.684 ( 1.935 2.058 -1.775) 3.336 1.763 ( -0.194 -1.719 -2.543) 3.076 1.763 ( 0.194 -1.719 -2.543) 3.076 1.994 ( -1.800 4.872 0.062) 5.194 1.994 ( 1.800 4.872 0.062) 5.194 2.115 ( -0.511 1.980 -1.069) 2.307 2.115 ( 0.511 1.980 -1.069) 2.307 2.346 ( -2.624 3.085 1.496) 4.317 2.346 ( 2.624 3.085 1.496) 4.317 2.460 ( -1.373 -0.616 -1.307) 1.993 2.460 ( 1.373 -0.616 -1.307) 1.993 3.475 ( -0.538 10.189 4.688) 11.229 3.475 ( 0.538 10.189 4.688) 11.229 3.715 ( -2.546 8.018 0.171) 8.414 3.715 ( 2.546 8.018 0.171) 8.414 4.560 ( -2.979 5.448 -0.837) 6.265 4.560 ( 2.979 5.448 -0.837) 6.265 4.950 ( -2.987 -13.756 4.666) 14.830 4.950 ( 2.987 -13.756 4.666) 14.830 5.743 ( -3.646 6.075 1.368) 7.216 5.743 ( 3.646 6.075 1.368) 7.216 6.023 ( -7.020 5.876 -1.783) 9.327 6.023 ( 7.020 5.876 -1.783) 9.327 6.615 ( -3.649 -1.526 -1.044) 4.090 6.615 ( 3.649 -1.526 -1.044) 4.090 7.049 ( -4.977 -5.642 -14.534) 16.366 7.049 ( 4.977 -5.642 -14.534) 16.366 7.632 ( -9.822 1.379 8.888) 13.318 7.632 ( 9.822 1.379 8.888) 13.318 7.876 ( -7.378 -4.337 -2.084) 8.809 7.876 ( 7.378 -4.337 -2.084) 8.809 8.739 ( -1.770 12.380 3.006) 12.862 8.739 ( 1.770 12.380 3.006) 12.862 9.090 ( -8.289 5.904 -5.814) 11.721 9.090 ( 8.289 5.904 -5.814) 11.721 9.694 ( -7.327 3.986 4.746) 9.597 9.694 ( 7.327 3.986 4.746) 9.597 9.920 ( -10.431 -3.459 4.228) 11.775 9.920 ( 10.431 -3.459 4.228) 11.775 10.972 ( -0.750 16.963 0.065) 16.980 10.972 ( 0.750 16.963 0.065) 16.980 11.366 ( -0.474 3.383 -0.217) 3.423 11.366 ( 0.474 3.383 -0.217) 3.423 13.418 ( -1.152 2.603 0.329) 2.866 13.418 ( 1.152 2.603 0.329) 2.866 13.857 ( -2.096 -6.118 -0.292) 6.474 13.857 ( 2.096 -6.118 -0.292) 6.474 17.723 ( -0.972 6.773 2.021) 7.134 17.723 ( 0.972 6.773 2.021) 7.134 18.117 ( -0.876 -6.636 -3.655) 7.627 18.117 ( 0.876 -6.636 -3.655) 7.627 19.661 ( -5.034 2.738 2.169) 6.127 19.661 ( 5.034 2.738 2.169) 6.127 20.105 ( -1.359 -11.638 -0.821) 11.746 20.105 ( 1.359 -11.638 -0.821) 11.746 22.770 ( -0.378 8.978 -0.131) 8.987 22.770 ( 0.378 8.978 -0.131) 8.987 23.144 ( -0.859 -3.120 -0.515) 3.277 23.144 ( 0.859 -3.120 -0.515) 3.277 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.000 1.511 -1.868) 2.403 0.990 ( 0.000 1.588 -0.337) 1.624 1.038 ( 0.000 0.895 2.060) 2.246 1.046 ( 0.000 0.554 0.834) 1.002 1.115 ( 0.000 2.241 2.173) 3.122 1.145 ( 0.000 -1.151 2.368) 2.633 1.250 ( 0.000 1.641 0.215) 1.655 1.280 ( 0.000 -0.848 0.024) 0.848 1.425 ( 0.000 3.172 -0.168) 3.177 1.475 ( 0.000 -1.527 -0.925) 1.785 1.495 ( 0.000 2.298 0.820) 2.440 1.526 ( 0.000 -0.864 -0.793) 1.173 1.653 ( 0.000 2.705 -2.078) 3.411 1.706 ( 0.000 -2.531 -2.692) 3.695 1.728 ( 0.000 0.713 -2.727) 2.819 1.739 ( 0.000 -0.695 -3.511) 3.579 2.057 ( 0.000 3.302 1.215) 3.519 2.097 ( 0.000 -0.737 -0.102) 0.744 2.124 ( 0.000 1.302 -0.478) 1.387 2.135 ( 0.000 0.059 -0.553) 0.557 2.324 ( 0.000 2.733 1.691) 3.214 2.371 ( 0.000 -2.054 0.753) 2.188 2.481 ( 0.000 2.382 -0.823) 2.520 2.509 ( 0.000 -0.285 -1.769) 1.792 3.651 ( 0.000 6.947 4.584) 8.323 3.726 ( 0.000 8.643 7.619) 11.522 3.733 ( 0.000 0.078 4.126) 4.127 3.838 ( 0.000 -1.903 4.194) 4.605 4.487 ( 0.000 1.113 -1.693) 2.026 4.569 ( 0.000 -6.011 -3.005) 6.721 4.764 ( 0.000 -0.981 1.800) 2.050 4.831 ( 0.000 -7.316 1.468) 7.462 5.762 ( 0.000 5.315 5.161) 7.408 5.840 ( 0.000 -1.418 4.678) 4.888 6.253 ( 0.000 17.415 -8.935) 19.573 6.326 ( 0.000 6.991 -1.022) 7.066 6.472 ( 0.000 -6.904 -0.645) 6.934 6.540 ( 0.000 -8.619 -14.698) 17.039 6.839 ( 0.000 7.689 -7.905) 11.027 7.066 ( 0.000 -11.662 -9.259) 14.891 7.373 ( 0.000 6.981 -1.385) 7.117 7.537 ( 0.000 -8.904 -5.076) 10.249 7.923 ( 0.000 0.405 8.370) 8.380 7.943 ( 0.000 -1.856 -0.126) 1.861 8.949 ( 0.000 8.327 1.726) 8.504 8.991 ( 0.000 9.818 9.700) 13.801 9.033 ( 0.000 2.397 3.370) 4.135 9.217 ( 0.000 -9.992 14.505) 17.613 9.609 ( 0.000 6.610 -2.294) 6.996 9.671 ( 0.000 -0.092 -5.664) 5.664 9.977 ( 0.000 5.247 1.489) 5.454 10.089 ( 0.000 -5.260 3.821) 6.501 11.166 ( 0.000 6.736 0.168) 6.738 11.211 ( 0.000 6.506 -0.801) 6.555 11.306 ( 0.000 -5.703 0.535) 5.728 11.343 ( 0.000 -5.422 -0.340) 5.433 13.558 ( 0.000 11.009 1.121) 11.066 13.609 ( 0.000 9.853 0.070) 9.854 13.755 ( 0.000 -4.145 0.485) 4.173 13.757 ( 0.000 -8.284 0.327) 8.291 17.825 ( 0.000 4.830 0.388) 4.846 17.877 ( 0.000 6.835 -0.485) 6.852 17.950 ( 0.000 -7.349 -1.637) 7.529 17.995 ( 0.000 -5.011 -2.403) 5.558 19.651 ( 0.000 7.025 0.165) 7.027 19.765 ( 0.000 -2.169 -3.791) 4.367 19.930 ( 0.000 -5.581 2.965) 6.320 19.948 ( 0.000 -4.966 1.173) 5.102 22.909 ( 0.000 6.416 0.180) 6.419 22.945 ( 0.000 7.107 -0.655) 7.137 23.030 ( 0.000 -5.471 0.203) 5.475 23.077 ( 0.000 -5.695 -0.880) 5.763 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.25 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.774 2.305 -1.433) 2.823 1.007 ( 1.384 1.327 -1.003) 2.164 1.031 ( -0.188 1.916 0.127) 1.929 1.056 ( -0.144 -0.024 0.620) 0.637 1.124 ( 1.640 1.942 2.940) 3.887 1.157 ( 0.962 -1.195 2.433) 2.877 1.225 ( -2.144 1.239 0.507) 2.527 1.248 ( -2.889 -0.675 0.849) 3.086 1.432 ( 0.674 3.101 0.104) 3.175 1.471 ( -0.533 0.890 -0.385) 1.107 1.488 ( -0.296 0.341 0.400) 0.603 1.516 ( -0.936 -0.992 -0.663) 1.517 1.675 ( 1.826 1.944 -2.063) 3.372 1.714 ( 0.667 -1.885 -2.631) 3.304 1.728 ( -0.200 0.316 -2.529) 2.556 1.738 ( -0.152 -0.811 -3.110) 3.218 2.059 ( 0.399 3.413 0.602) 3.488 2.102 ( -0.177 0.632 -0.380) 0.758 2.110 ( -0.512 0.456 -0.239) 0.726 2.133 ( -0.324 -0.364 -0.486) 0.688 2.350 ( 2.354 2.604 1.160) 3.697 2.394 ( 2.075 -1.798 0.322) 2.764 2.459 ( -2.031 2.469 -0.550) 3.244 2.490 ( -1.741 -0.554 -1.461) 2.339 3.657 ( 0.519 7.432 4.978) 8.960 3.698 ( -1.460 7.908 6.329) 10.233 3.755 ( 1.071 0.513 4.517) 4.671 3.821 ( -1.605 -1.899 3.995) 4.705 4.528 ( 3.788 1.399 -0.878) 4.132 4.603 ( 3.000 -4.607 -2.035) 5.863 4.734 ( -2.753 -2.008 2.270) 4.094 4.797 ( -3.203 -7.324 1.778) 8.190 5.803 ( 3.936 6.291 3.978) 8.419 5.895 ( 5.200 -1.275 2.402) 5.868 6.078 ( -8.864 10.653 -1.483) 13.938 6.255 ( -10.638 -4.157 -4.886) 12.423 6.532 ( 9.433 7.892 -5.732) 13.569 6.692 ( 5.425 -0.614 -11.319) 12.567 6.832 ( 0.255 0.116 -10.295) 10.299 6.999 ( -5.222 -9.928 -11.799) 16.280 7.478 ( 8.831 4.528 2.341) 10.197 7.601 ( 6.316 -7.126 -1.542) 9.646 7.850 ( -6.338 2.006 6.916) 9.593 7.910 ( -4.362 -3.745 2.152) 6.139 8.944 ( 0.699 9.231 2.977) 9.724 9.010 ( -0.016 11.220 7.739) 13.630 9.047 ( 2.638 0.042 0.334) 2.660 9.212 ( -1.815 -7.693 7.685) 11.024 9.648 ( 4.464 5.631 0.797) 7.230 9.712 ( 4.051 -1.046 -2.059) 4.663 9.916 ( -5.459 4.579 1.868) 7.366 10.015 ( -6.833 -4.910 3.988) 9.311 11.173 ( 0.634 6.975 0.171) 7.006 11.205 ( -0.558 6.822 -0.474) 6.861 11.311 ( 0.535 -5.910 0.290) 5.941 11.338 ( -0.501 -5.572 -0.267) 5.601 13.565 ( 0.658 10.748 0.981) 10.812 13.601 ( -0.732 9.931 0.234) 9.960 13.752 ( -0.244 -5.174 0.480) 5.202 13.754 ( -0.280 -6.895 0.442) 6.914 17.833 ( 0.743 5.392 0.322) 5.453 17.870 ( -0.675 6.748 -0.280) 6.788 17.962 ( 1.009 -7.172 -1.952) 7.501 17.994 ( -0.227 -5.577 -2.435) 6.089 19.681 ( 2.801 6.695 0.561) 7.279 19.775 ( 0.447 0.684 -2.245) 2.390 19.901 ( -1.880 -6.566 1.698) 7.038 19.935 ( -1.501 -6.640 0.709) 6.844 22.913 ( 0.469 6.530 0.036) 6.547 22.940 ( -0.542 7.021 -0.553) 7.064 23.037 ( 0.610 -5.525 0.021) 5.559 23.070 ( -0.669 -5.675 -0.744) 5.763 ======================= Grid point 97 (42/63) ======================= q-point: (-0.50 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -1.119 2.807 -1.810) 3.522 1.017 ( 1.119 2.807 -1.810) 3.522 1.039 ( -1.324 0.810 -0.018) 1.552 1.039 ( 1.324 0.810 -0.018) 1.552 1.178 ( -2.822 0.113 2.101) 3.520 1.178 ( 2.822 0.113 2.101) 3.520 1.185 ( -1.976 -0.116 2.040) 2.842 1.185 ( 1.976 -0.116 2.040) 2.842 1.451 ( -1.130 3.019 0.517) 3.265 1.451 ( 1.130 3.019 0.517) 3.265 1.495 ( -0.886 -1.253 -0.537) 1.626 1.495 ( 0.886 -1.253 -0.537) 1.626 1.710 ( -1.356 0.842 -2.320) 2.816 1.710 ( 1.356 0.842 -2.320) 2.816 1.731 ( -0.563 -1.349 -2.512) 2.906 1.731 ( 0.563 -1.349 -2.512) 2.906 2.077 ( -1.300 3.233 -0.129) 3.487 2.077 ( 1.300 3.233 -0.129) 3.487 2.121 ( -0.741 -1.085 -0.436) 1.385 2.121 ( 0.741 -1.085 -0.436) 1.385 2.407 ( -2.940 2.553 0.217) 3.900 2.407 ( 2.940 2.553 0.217) 3.900 2.444 ( -2.626 -1.176 -0.646) 2.949 2.444 ( 2.626 -1.176 -0.646) 2.949 3.672 ( -1.030 8.526 5.772) 10.347 3.672 ( 1.030 8.526 5.772) 10.347 3.783 ( -1.831 -1.466 3.804) 4.469 3.783 ( 1.831 -1.466 3.804) 4.469 4.617 ( -3.819 2.366 -0.402) 4.511 4.617 ( 3.819 2.366 -0.402) 4.511 4.719 ( -3.446 -8.318 2.210) 9.271 4.719 ( 3.446 -8.318 2.210) 9.271 5.910 ( -6.202 9.021 1.008) 10.993 5.910 ( 6.202 9.021 1.008) 10.993 6.055 ( -8.576 -3.772 -0.867) 9.409 6.055 ( 8.576 -3.772 -0.867) 9.409 6.683 ( -4.959 8.685 -8.166) 12.911 6.683 ( 4.959 8.685 -8.166) 12.912 6.893 ( -4.824 -9.907 -14.168) 17.948 6.893 ( 4.824 -9.907 -14.168) 17.948 7.677 ( -9.598 3.376 6.545) 12.097 7.677 ( 9.598 3.376 6.545) 12.097 7.770 ( -8.442 -5.456 1.818) 10.215 7.770 ( 8.442 -5.456 1.818) 10.215 8.981 ( -2.382 10.756 3.607) 11.592 8.981 ( 2.382 10.756 3.607) 11.592 9.133 ( -5.075 -3.003 0.693) 5.938 9.133 ( 5.075 -3.003 0.693) 5.938 9.772 ( -6.029 4.164 3.317) 8.043 9.772 ( 6.029 4.164 3.317) 8.043 9.852 ( -7.307 -3.388 2.392) 8.402 9.852 ( 7.307 -3.388 2.392) 8.402 11.190 ( -0.914 7.123 0.001) 7.181 11.190 ( 0.914 7.123 0.001) 7.181 11.325 ( -0.718 -5.875 -0.064) 5.919 11.325 ( 0.718 -5.875 -0.064) 5.919 13.582 ( -1.000 10.247 0.620) 10.315 13.582 ( 1.000 10.247 0.620) 10.315 13.749 ( -0.055 -5.855 0.516) 5.878 13.749 ( 0.055 -5.855 0.516) 5.878 17.852 ( -1.019 6.311 0.080) 6.393 17.852 ( 1.019 6.311 0.080) 6.393 17.983 ( -0.866 -6.571 -2.356) 7.034 17.983 ( 0.866 -6.571 -2.356) 7.034 19.748 ( -3.177 5.832 0.819) 6.692 19.748 ( 3.177 5.832 0.819) 6.692 19.897 ( -1.605 -8.814 -0.352) 8.966 19.897 ( 1.605 -8.814 -0.352) 8.966 22.926 ( -0.719 6.789 -0.280) 6.832 22.926 ( 0.719 6.789 -0.280) 6.832 23.053 ( -0.905 -5.616 -0.384) 5.701 23.053 ( 0.905 -5.616 -0.384) 5.701 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 0.000 10.822) 10.822 0.561 ( 0.000 0.000 11.476) 11.476 0.698 ( 0.000 0.000 -3.576) 3.576 0.773 ( 0.000 0.000 -8.935) 8.935 0.946 ( 0.000 0.000 5.802) 5.802 0.967 ( 0.000 0.000 2.160) 2.160 0.988 ( 0.000 0.000 6.062) 6.062 1.036 ( 0.000 0.000 4.883) 4.883 1.154 ( 0.000 0.000 0.102) 0.102 1.159 ( 0.000 0.000 -0.316) 0.316 1.312 ( 0.000 0.000 4.078) 4.078 1.322 ( 0.000 0.000 4.229) 4.229 1.362 ( 0.000 0.000 -3.236) 3.236 1.384 ( 0.000 0.000 -2.738) 2.738 1.439 ( 0.000 0.000 -3.025) 3.025 1.462 ( 0.000 0.000 0.853) 0.853 1.479 ( 0.000 0.000 -0.711) 0.711 1.485 ( 0.000 0.000 9.248) 9.248 1.540 ( 0.000 0.000 -10.998) 10.998 1.745 ( 0.000 0.000 -12.796) 12.796 2.334 ( 0.000 0.000 4.414) 4.414 2.400 ( 0.000 0.000 -2.296) 2.296 2.589 ( 0.000 0.000 4.559) 4.559 2.701 ( 0.000 0.000 -5.689) 5.689 2.788 ( 0.000 0.000 0.510) 0.510 2.799 ( 0.000 0.000 -0.482) 0.482 2.944 ( 0.000 0.000 6.675) 6.675 3.081 ( 0.000 0.000 -6.433) 6.433 3.243 ( 0.000 0.000 7.112) 7.112 3.388 ( 0.000 0.000 -6.431) 6.431 4.140 ( 0.000 0.000 2.563) 2.563 4.170 ( 0.000 0.000 -0.922) 0.922 5.407 ( 0.000 0.000 0.850) 0.850 5.429 ( 0.000 0.000 -1.266) 1.266 6.106 ( 0.000 0.000 4.427) 4.427 6.183 ( 0.000 0.000 -2.645) 2.645 6.457 ( 0.000 0.000 14.382) 14.382 6.759 ( 0.000 0.000 -13.847) 13.847 7.159 ( 0.000 0.000 4.171) 4.171 7.227 ( 0.000 0.000 -1.721) 1.721 7.265 ( 0.000 0.000 1.371) 1.371 7.300 ( 0.000 0.000 -2.187) 2.187 7.608 ( 0.000 0.000 7.570) 7.570 7.727 ( 0.000 0.000 -4.115) 4.115 7.760 ( 0.000 0.000 0.549) 0.549 7.787 ( 0.000 0.000 -1.888) 1.888 7.864 ( 0.000 0.000 0.979) 0.979 7.879 ( 0.000 0.000 -0.454) 0.454 8.207 ( 0.000 0.000 4.876) 4.876 8.401 ( 0.000 0.000 -13.156) 13.156 9.014 ( 0.000 0.000 12.330) 12.330 9.238 ( 0.000 0.000 -8.166) 8.166 10.243 ( 0.000 0.000 8.135) 8.135 10.425 ( 0.000 0.000 -9.048) 9.048 11.228 ( 0.000 0.000 12.672) 12.672 11.524 ( 0.000 0.000 -15.260) 15.260 13.994 ( 0.000 0.000 0.084) 0.084 13.996 ( 0.000 0.000 -0.091) 0.091 15.120 ( 0.000 0.000 0.029) 0.029 15.123 ( 0.000 0.000 -0.275) 0.275 15.904 ( 0.000 0.000 12.248) 12.248 16.206 ( 0.000 0.000 -16.312) 16.312 19.306 ( 0.000 0.000 15.773) 15.773 19.455 ( 0.000 0.000 0.029) 0.029 19.457 ( 0.000 0.000 -0.100) 0.100 19.596 ( 0.000 0.000 -12.220) 12.220 20.647 ( 0.000 0.000 4.478) 4.478 20.715 ( 0.000 0.000 -2.357) 2.357 22.378 ( 0.000 0.000 8.708) 8.708 22.541 ( 0.000 0.000 -6.670) 6.670 23.218 ( 0.000 0.000 0.794) 0.794 23.222 ( 0.000 0.000 0.082) 0.082 ======================= Grid point 131 (44/63) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 5.057 0.000 5.454) 7.437 0.602 ( 3.742 0.000 8.492) 9.279 0.695 ( 0.024 0.000 -4.325) 4.325 0.755 ( -1.975 0.000 -5.982) 6.300 0.928 ( 0.088 0.000 10.277) 10.277 0.957 ( 0.013 0.000 10.146) 10.146 1.011 ( 2.785 0.000 2.748) 3.912 1.112 ( 3.451 0.000 -1.191) 3.651 1.123 ( -1.853 0.000 0.465) 1.911 1.138 ( -1.680 0.000 -0.840) 1.879 1.228 ( -9.698 0.000 1.476) 9.810 1.279 ( -4.434 0.000 -0.550) 4.468 1.353 ( 3.071 0.000 2.584) 4.014 1.400 ( -2.333 0.000 -0.187) 2.340 1.402 ( 1.516 0.000 -1.975) 2.490 1.442 ( -3.494 0.000 0.747) 3.573 1.451 ( -1.091 0.000 0.845) 1.380 1.468 ( -1.031 0.000 -0.727) 1.262 1.619 ( 5.243 0.000 -4.260) 6.756 1.750 ( -0.275 0.000 -10.913) 10.917 2.335 ( -0.163 0.000 3.720) 3.724 2.376 ( -2.607 0.000 -0.159) 2.612 2.576 ( -0.055 0.000 1.617) 1.618 2.653 ( -3.617 0.000 -5.121) 6.269 2.790 ( 0.144 0.000 0.369) 0.396 2.798 ( -0.151 0.000 -0.333) 0.365 2.979 ( 2.702 0.000 5.594) 6.213 3.072 ( -1.409 0.000 -2.222) 2.631 3.321 ( 6.333 0.000 0.315) 6.341 3.398 ( 1.412 0.000 -5.349) 5.532 4.065 ( -4.642 0.000 3.930) 6.083 4.130 ( -4.568 0.000 -2.416) 5.167 5.410 ( 0.336 0.000 0.534) 0.631 5.426 ( -0.289 0.000 -0.962) 1.005 6.053 ( -3.716 0.000 2.333) 4.387 6.062 ( -5.765 0.000 1.796) 6.039 6.691 ( 15.995 0.000 8.109) 17.933 6.892 ( 10.205 0.000 -10.353) 14.537 7.167 ( 0.721 0.000 3.732) 3.801 7.212 ( -1.197 0.000 0.340) 1.245 7.275 ( 0.735 0.000 -0.340) 0.809 7.297 ( -0.265 0.000 -2.078) 2.095 7.517 ( -7.117 0.000 8.610) 11.171 7.658 ( -7.362 0.000 -5.204) 9.016 7.762 ( 0.267 0.000 0.245) 0.362 7.781 ( -0.498 0.000 -1.410) 1.495 7.868 ( 0.322 0.000 0.639) 0.716 7.878 ( -0.110 0.000 -0.305) 0.324 8.282 ( 6.928 0.000 6.455) 9.469 8.449 ( 3.078 0.000 -7.481) 8.090 9.012 ( 0.700 0.000 6.770) 6.806 9.226 ( -3.335 0.000 -11.556) 12.028 10.376 ( 12.386 0.000 8.790) 15.189 10.549 ( 11.139 0.000 -7.331) 13.335 11.139 ( -7.207 0.000 11.275) 13.381 11.410 ( -11.096 0.000 -14.064) 17.914 13.995 ( 0.026 0.000 0.058) 0.064 13.996 ( -0.026 0.000 -0.066) 0.071 15.121 ( 0.107 0.000 -0.027) 0.110 15.124 ( 0.009 0.000 -0.200) 0.200 15.980 ( 6.612 0.000 5.701) 8.731 16.193 ( -1.749 0.000 -13.987) 14.096 19.421 ( 11.629 0.000 16.486) 20.175 19.455 ( 0.019 0.000 0.010) 0.022 19.456 ( -0.019 0.000 -0.081) 0.083 19.714 ( 11.158 0.000 -12.351) 16.645 20.368 ( -25.739 0.000 8.767) 27.192 20.469 ( -19.145 0.000 -1.977) 19.247 22.368 ( 3.989 0.000 15.374) 15.883 22.614 ( 0.627 0.000 -8.048) 8.073 23.182 ( -1.966 0.000 1.633) 2.556 23.213 ( -1.059 0.000 -1.284) 1.664 ======================= Grid point 132 (45/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -3.128 0.000 0.417) 3.156 0.681 ( 3.128 0.000 0.417) 3.156 0.690 ( -4.309 0.000 1.467) 4.552 0.690 ( 4.309 0.000 1.467) 4.552 0.958 ( -2.733 0.000 9.520) 9.904 0.958 ( 2.733 0.000 9.520) 9.904 1.068 ( -3.762 0.000 3.221) 4.952 1.068 ( 3.762 0.000 3.221) 4.952 1.110 ( -0.647 0.000 -0.700) 0.953 1.110 ( 0.647 0.000 -0.700) 0.953 1.175 ( -4.318 0.000 -2.907) 5.206 1.175 ( 4.318 0.000 -2.907) 5.206 1.388 ( -1.234 0.000 1.735) 2.129 1.388 ( 1.234 0.000 1.735) 2.129 1.410 ( -2.134 0.000 1.102) 2.402 1.410 ( 2.134 0.000 1.102) 2.402 1.442 ( -1.357 0.000 -0.874) 1.614 1.442 ( 1.357 0.000 -0.874) 1.614 1.712 ( -3.516 0.000 -6.945) 7.784 1.712 ( 3.516 0.000 -6.945) 7.784 2.333 ( -0.723 0.000 1.627) 1.780 2.333 ( 0.723 0.000 1.627) 1.780 2.597 ( -1.818 0.000 -2.380) 2.995 2.597 ( 1.818 0.000 -2.380) 2.995 2.794 ( -0.209 0.000 0.022) 0.210 2.794 ( 0.209 0.000 0.022) 0.210 3.030 ( -2.372 0.000 1.583) 2.852 3.030 ( 2.372 0.000 1.583) 2.852 3.414 ( -1.649 0.000 -3.130) 3.538 3.414 ( 1.649 0.000 -3.130) 3.538 4.036 ( -2.703 0.000 0.333) 2.724 4.036 ( 2.703 0.000 0.333) 2.724 5.419 ( -0.442 0.000 -0.221) 0.494 5.419 ( 0.442 0.000 -0.221) 0.494 6.007 ( -0.236 0.000 1.610) 1.628 6.007 ( 0.236 0.000 1.610) 1.628 6.964 ( -7.483 0.000 1.619) 7.656 6.964 ( 7.483 0.000 1.619) 7.656 7.187 ( -1.198 0.000 2.438) 2.717 7.187 ( 1.198 0.000 2.438) 2.717 7.289 ( -0.550 0.000 -1.601) 1.693 7.289 ( 0.550 0.000 -1.601) 1.693 7.478 ( -6.675 0.000 -0.696) 6.711 7.478 ( 6.675 0.000 -0.696) 6.711 7.770 ( -0.509 0.000 -0.517) 0.725 7.770 ( 0.509 0.000 -0.517) 0.725 7.874 ( -0.274 0.000 0.093) 0.289 7.874 ( 0.274 0.000 0.093) 0.289 8.431 ( -5.664 0.000 5.060) 7.595 8.431 ( 5.664 0.000 5.060) 7.595 9.095 ( -7.431 0.000 -7.821) 10.788 9.095 ( 7.431 0.000 -7.821) 10.788 10.640 ( -8.616 0.000 5.914) 10.450 10.640 ( 8.616 0.000 5.914) 10.450 11.136 ( -11.685 0.000 -5.982) 13.127 11.136 ( 11.685 0.000 -5.982) 13.127 13.995 ( -0.037 0.000 -0.004) 0.037 13.995 ( 0.037 0.000 -0.004) 0.037 15.123 ( -0.053 0.000 -0.081) 0.097 15.123 ( 0.053 0.000 -0.081) 0.097 16.117 ( -5.817 0.000 -6.124) 8.446 16.117 ( 5.817 0.000 -6.124) 8.446 19.456 ( -0.027 0.000 -0.035) 0.045 19.456 ( 0.027 0.000 -0.035) 0.045 19.775 ( -21.389 0.000 12.063) 24.556 19.775 ( 21.389 0.000 12.063) 24.556 20.073 ( -16.278 0.000 -4.132) 16.795 20.073 ( 16.278 0.000 -4.132) 16.795 22.517 ( -8.410 0.000 6.581) 10.679 22.517 ( 8.410 0.000 6.581) 10.679 23.182 ( -1.574 0.000 -1.658) 2.286 23.182 ( 1.574 0.000 -1.658) 2.286 ======================= Grid point 135 (46/63) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 0.000 3.253 5.278) 6.200 0.560 ( 0.000 2.936 5.004) 5.802 0.735 ( 0.000 1.236 1.760) 2.151 0.799 ( 0.000 0.199 -3.532) 3.538 0.939 ( 0.000 -1.467 4.269) 4.514 0.956 ( 0.000 -0.529 8.256) 8.273 1.009 ( 0.000 4.584 -2.799) 5.371 1.032 ( 0.000 1.308 0.875) 1.574 1.178 ( 0.000 2.614 1.187) 2.871 1.206 ( 0.000 3.807 -0.963) 3.927 1.296 ( 0.000 -0.118 3.380) 3.382 1.338 ( 0.000 1.880 4.807) 5.162 1.407 ( 0.000 -0.483 -5.187) 5.209 1.439 ( 0.000 3.569 -4.245) 5.546 1.479 ( 0.000 1.120 9.393) 9.460 1.512 ( 0.000 7.000 0.334) 7.008 1.516 ( 0.000 5.007 -0.429) 5.026 1.544 ( 0.000 6.416 2.370) 6.840 1.622 ( 0.000 6.521 -7.602) 10.015 1.750 ( 0.000 0.960 -12.075) 12.113 2.327 ( 0.000 -0.622 4.312) 4.357 2.392 ( 0.000 -0.797 -2.222) 2.361 2.541 ( 0.000 -3.569 4.939) 6.094 2.628 ( 0.000 -3.639 0.143) 3.641 2.692 ( 0.000 -1.545 -0.917) 1.797 2.771 ( 0.000 -0.570 -5.296) 5.327 3.129 ( 0.000 -0.710 2.577) 2.673 3.174 ( 0.000 1.263 -1.921) 2.299 3.471 ( 0.000 28.973 3.243) 29.154 3.568 ( 0.000 21.546 -5.546) 22.249 4.112 ( 0.000 -0.726 2.107) 2.229 4.115 ( 0.000 0.313 1.743) 1.771 5.696 ( 0.000 24.658 1.216) 24.687 5.726 ( 0.000 25.270 -1.551) 25.317 6.051 ( 0.000 -5.101 5.025) 7.160 6.133 ( 0.000 -4.529 -2.419) 5.134 6.414 ( 0.000 -3.975 14.101) 14.651 6.703 ( 0.000 -4.992 -12.865) 13.800 7.244 ( 0.000 -0.546 1.254) 1.367 7.244 ( 0.000 5.612 1.177) 5.734 7.393 ( 0.000 11.899 1.975) 12.062 7.420 ( 0.000 9.259 0.078) 9.260 7.523 ( 0.000 -2.571 11.525) 11.809 7.698 ( 0.000 -0.170 -4.943) 4.946 7.870 ( 0.000 10.807 -1.446) 10.904 7.884 ( 0.000 9.034 -2.175) 9.292 8.107 ( 0.000 18.962 4.229) 19.428 8.212 ( 0.000 7.842 -0.436) 7.854 8.350 ( 0.000 30.063 -11.700) 32.260 8.408 ( 0.000 2.463 -10.515) 10.800 8.966 ( 0.000 -4.362 11.742) 12.526 9.186 ( 0.000 -4.664 -8.455) 9.656 10.208 ( 0.000 -2.887 7.903) 8.414 10.387 ( 0.000 -2.988 -9.098) 9.576 11.098 ( 0.000 -9.693 13.428) 16.561 11.405 ( 0.000 -10.170 -15.307) 18.378 14.149 ( 0.000 9.266 2.783) 9.675 14.258 ( 0.000 14.136 -8.980) 16.747 15.400 ( 0.000 26.767 0.875) 26.781 15.435 ( 0.000 30.682 -2.842) 30.814 15.619 ( 0.000 -24.415 10.086) 26.417 15.869 ( 0.000 -27.770 -13.577) 30.911 18.969 ( 0.000 -14.920 5.189) 15.797 19.049 ( 0.000 -18.694 -2.638) 18.879 19.838 ( 0.000 14.999 7.019) 16.560 19.994 ( 0.000 14.093 -7.968) 16.190 20.716 ( 0.000 8.347 4.655) 9.557 20.762 ( 0.000 5.098 0.493) 5.122 22.230 ( 0.000 -12.438 4.582) 13.255 22.261 ( 0.000 -22.436 3.398) 22.692 23.170 ( 0.000 -2.939 1.310) 3.217 23.191 ( 0.000 -2.426 -0.738) 2.536 ======================= Grid point 136 (47/63) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 2.759 0.707 6.826) 7.396 0.615 ( 2.567 1.145 -0.301) 2.827 0.741 ( -0.072 1.690 0.521) 1.769 0.773 ( -2.765 1.614 -2.605) 4.128 0.899 ( -0.793 -1.813 9.593) 9.795 0.992 ( -0.636 0.838 4.028) 4.163 1.005 ( 3.101 2.444 2.153) 4.497 1.050 ( 0.683 0.319 -2.085) 2.217 1.175 ( -0.413 3.049 1.623) 3.479 1.212 ( 0.785 4.033 -1.540) 4.388 1.256 ( -6.241 2.032 1.987) 6.857 1.307 ( -3.004 3.075 0.797) 4.372 1.352 ( -0.962 -0.534 1.120) 1.570 1.402 ( -1.312 -0.160 -0.155) 1.330 1.496 ( -0.861 6.597 1.155) 6.752 1.505 ( -0.281 7.023 1.788) 7.252 1.516 ( -0.297 5.501 -0.122) 5.510 1.549 ( -0.766 6.353 1.339) 6.537 1.648 ( 3.654 3.357 -5.585) 7.471 1.756 ( -0.100 1.057 -10.240) 10.295 2.328 ( -0.248 -0.647 3.704) 3.768 2.367 ( -2.701 -0.774 0.080) 2.811 2.527 ( -0.167 -3.577 1.811) 4.013 2.596 ( -3.193 -3.947 -3.601) 6.224 2.723 ( 4.031 -1.124 3.499) 5.455 2.818 ( 3.260 0.238 -4.680) 5.709 3.064 ( -3.846 0.184 2.515) 4.599 3.149 ( -3.523 1.231 -5.675) 6.792 3.534 ( 5.550 26.333 3.532) 27.143 3.617 ( 3.704 23.317 -4.300) 23.998 4.027 ( -5.296 -0.954 4.082) 6.755 4.080 ( -4.597 -1.312 -0.857) 4.857 5.702 ( 0.577 24.944 0.692) 24.960 5.724 ( -0.247 25.368 -1.303) 25.402 6.006 ( -3.189 -4.531 3.055) 6.328 6.023 ( -5.548 -3.665 1.789) 6.886 6.625 ( 14.701 -5.909 8.543) 18.001 6.823 ( 8.966 -6.199 -9.399) 14.393 7.237 ( -0.702 0.555 2.483) 2.640 7.249 ( 0.225 4.281 1.050) 4.413 7.396 ( 0.464 10.281 1.568) 10.411 7.415 ( -0.408 9.285 0.420) 9.303 7.473 ( -3.854 0.686 8.026) 8.930 7.625 ( -7.298 -0.733 -5.746) 9.318 7.886 ( 1.726 11.334 -0.287) 11.469 7.903 ( 1.398 12.409 -1.459) 12.572 8.075 ( -1.409 15.513 2.985) 15.861 8.197 ( -5.987 21.666 -8.661) 24.089 8.336 ( 5.803 8.335 5.040) 11.338 8.484 ( 3.212 7.013 -7.521) 10.773 8.959 ( 0.292 -4.840 6.592) 8.183 9.164 ( -3.836 -5.573 -10.976) 12.894 10.337 ( 11.836 -3.297 8.627) 15.013 10.515 ( 11.003 -2.947 -7.954) 13.894 11.024 ( -6.046 -8.714 11.338) 15.526 11.300 ( -10.200 -9.262 -14.081) 19.700 14.156 ( 0.784 9.663 2.096) 9.919 14.230 ( -2.325 13.026 -5.474) 14.320 15.410 ( 0.739 28.309 0.729) 28.328 15.434 ( -0.216 31.120 -1.333) 31.149 15.678 ( 5.256 -26.932 3.709) 27.690 15.855 ( -1.645 -28.497 -12.068) 30.991 19.019 ( 4.864 -16.863 6.125) 18.589 19.099 ( 3.772 -18.906 -1.750) 19.358 19.813 ( -2.079 9.201 5.972) 11.164 19.942 ( -5.827 4.276 -6.246) 9.553 20.565 ( -11.060 19.271 6.536) 23.161 20.619 ( -9.889 14.783 0.764) 17.802 22.206 ( 3.679 -13.905 12.375) 18.975 22.371 ( 2.397 -19.784 -3.184) 20.182 23.159 ( -0.482 -1.582 0.886) 1.876 23.186 ( -0.610 -2.125 -1.416) 2.625 ======================= Grid point 137 (48/63) ======================= q-point: (-0.50 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -4.273 -2.091 3.228) 5.749 0.638 ( 4.273 -2.091 3.228) 5.749 0.707 ( -1.957 1.288 -1.325) 2.691 0.707 ( 1.957 1.288 -1.325) 2.691 0.952 ( -3.813 0.779 7.561) 8.504 0.952 ( 3.813 0.779 7.561) 8.504 1.061 ( -0.372 0.722 -0.110) 0.819 1.061 ( 0.372 0.722 -0.110) 0.819 1.153 ( -0.191 3.974 0.141) 3.982 1.153 ( 0.191 3.974 0.141) 3.982 1.247 ( -2.367 3.814 -1.842) 4.852 1.247 ( 2.367 3.814 -1.842) 4.852 1.364 ( -1.904 -0.307 2.678) 3.300 1.364 ( 1.904 -0.307 2.678) 3.300 1.493 ( -0.902 6.308 1.695) 6.594 1.493 ( 0.902 6.308 1.695) 6.594 1.525 ( -1.157 6.914 -0.095) 7.011 1.525 ( 1.157 6.914 -0.095) 7.011 1.725 ( -3.011 1.752 -6.705) 7.556 1.725 ( 3.011 1.752 -6.705) 7.556 2.323 ( -0.676 -0.765 1.830) 2.096 2.323 ( 0.676 -0.765 1.830) 2.096 2.544 ( -1.634 -3.609 -1.854) 4.374 2.544 ( 1.634 -3.609 -1.854) 4.374 2.819 ( -3.920 0.136 2.051) 4.426 2.819 ( 3.920 0.136 2.051) 4.426 3.059 ( -3.847 0.759 -4.665) 6.095 3.059 ( 3.847 0.759 -4.665) 6.095 3.640 ( -3.016 25.731 0.329) 25.909 3.640 ( 3.016 25.731 0.329) 25.909 3.985 ( -2.588 -3.188 0.713) 4.168 3.985 ( 2.588 -3.188 0.713) 4.168 5.715 ( -0.603 25.362 -0.431) 25.372 5.715 ( 0.603 25.362 -0.431) 25.372 5.968 ( -0.062 -3.843 2.083) 4.372 5.968 ( 0.062 -3.843 2.083) 4.372 6.876 ( -7.048 -7.790 2.577) 10.817 6.876 ( 7.048 -7.790 2.577) 10.817 7.241 ( -1.289 1.960 0.682) 2.442 7.241 ( 1.289 1.960 0.682) 2.442 7.413 ( -0.680 11.014 0.835) 11.067 7.413 ( 0.680 11.014 0.835) 11.067 7.459 ( -5.975 0.491 -1.185) 6.111 7.459 ( 5.975 0.491 -1.185) 6.111 7.917 ( -0.591 14.156 -0.609) 14.182 7.917 ( 0.591 14.156 -0.609) 14.182 8.089 ( -3.316 16.747 -1.394) 17.129 8.089 ( 3.316 16.747 -1.394) 17.129 8.468 ( -5.085 5.905 3.940) 8.732 8.468 ( 5.085 5.905 3.940) 8.732 9.033 ( -7.045 -5.652 -7.181) 11.539 9.033 ( 7.045 -5.652 -7.181) 11.539 10.591 ( -8.907 -4.310 6.280) 11.720 10.591 ( 8.907 -4.310 6.280) 11.720 11.042 ( -11.743 -7.443 -6.991) 15.561 11.042 ( 11.743 -7.443 -6.991) 15.561 14.183 ( -1.937 11.006 -0.462) 11.185 14.183 ( 1.937 11.006 -0.462) 11.185 15.425 ( -0.658 30.196 0.309) 30.205 15.425 ( 0.658 30.196 0.309) 30.205 15.790 ( -4.847 -28.827 -6.351) 29.914 15.790 ( 4.847 -28.827 -6.351) 29.914 19.122 ( -3.075 -19.443 3.593) 20.010 19.122 ( 3.075 -19.443 3.593) 20.010 19.809 ( -3.803 -1.354 1.483) 4.301 19.809 ( 3.803 -1.354 1.483) 4.301 20.472 ( -2.665 28.110 2.419) 28.340 20.472 ( 2.665 28.110 2.419) 28.340 22.324 ( -5.889 -16.365 5.533) 18.252 22.324 ( 5.889 -16.365 5.533) 18.252 23.167 ( -1.053 -1.259 -1.285) 2.084 23.167 ( 1.053 -1.259 -1.285) 2.084 ======================= Grid point 140 (49/63) ======================= q-point: ( 0.00 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 6.013 1.068) 6.107 0.668 ( 0.000 6.040 0.496) 6.060 0.760 ( 0.000 2.360 3.561) 4.272 0.794 ( 0.000 0.752 0.863) 1.145 0.948 ( 0.000 2.549 4.629) 5.284 0.984 ( 0.000 3.465 1.427) 3.748 1.091 ( 0.000 3.750 -0.038) 3.750 1.119 ( 0.000 5.241 -2.976) 6.027 1.258 ( 0.000 4.532 1.624) 4.814 1.276 ( 0.000 2.136 -0.036) 2.136 1.305 ( 0.000 1.137 3.262) 3.455 1.368 ( 0.000 1.982 5.838) 6.165 1.394 ( 0.000 -0.306 -3.463) 3.476 1.506 ( 0.000 4.683 -6.208) 7.777 1.563 ( 0.000 6.793 9.155) 11.400 1.640 ( 0.000 4.958 1.156) 5.091 1.652 ( 0.000 6.744 -1.757) 6.969 1.684 ( 0.000 6.405 2.128) 6.749 1.748 ( 0.000 5.155 -4.172) 6.632 1.791 ( 0.000 2.747 -9.688) 10.070 2.316 ( 0.000 -0.249 3.698) 3.706 2.374 ( 0.000 -0.672 -2.080) 2.186 2.474 ( 0.000 -2.844 5.274) 5.992 2.585 ( 0.000 -2.420 -4.813) 5.387 2.756 ( 0.000 9.531 1.321) 9.622 2.822 ( 0.000 6.095 -4.538) 7.599 3.134 ( 0.000 3.027 2.614) 3.999 3.182 ( 0.000 1.782 -1.877) 2.588 3.917 ( 0.000 10.803 2.131) 11.011 3.944 ( 0.000 9.668 -0.916) 9.711 4.394 ( 0.000 29.421 0.238) 29.422 4.428 ( 0.000 32.567 -3.347) 32.739 5.888 ( 0.000 -9.762 5.380) 11.147 5.959 ( 0.000 -8.071 -1.376) 8.188 6.241 ( 0.000 9.655 3.926) 10.423 6.254 ( 0.000 20.758 0.496) 20.764 6.332 ( 0.000 6.383 8.947) 10.991 6.572 ( 0.000 -7.197 -10.537) 12.760 7.159 ( 0.000 -7.152 7.695) 10.505 7.281 ( 0.000 -2.249 -4.916) 5.406 7.459 ( 0.000 -2.111 11.423) 11.617 7.666 ( 0.000 9.263 -4.016) 10.096 7.684 ( 0.000 13.663 5.342) 14.670 7.761 ( 0.000 9.162 -2.414) 9.475 8.136 ( 0.000 8.919 -4.455) 9.970 8.140 ( 0.000 10.574 -3.761) 11.222 8.416 ( 0.000 19.822 1.995) 19.922 8.457 ( 0.000 24.306 -0.778) 24.319 8.739 ( 0.000 27.377 4.287) 27.710 8.851 ( 0.000 -2.962 7.679) 8.231 9.002 ( 0.000 25.841 -16.189) 30.493 9.087 ( 0.000 -3.353 -9.588) 10.157 10.160 ( 0.000 -0.855 8.659) 8.701 10.356 ( 0.000 1.249 -10.271) 10.346 10.928 ( 0.000 -5.959 10.846) 12.375 11.183 ( 0.000 -10.135 -12.565) 16.143 14.228 ( 0.000 -1.337 3.838) 4.064 14.357 ( 0.000 -2.478 -9.215) 9.542 14.908 ( 0.000 -38.709 5.336) 39.075 15.033 ( 0.000 -42.312 -6.163) 42.758 16.213 ( 0.000 43.690 4.970) 43.971 16.387 ( 0.000 46.059 -13.244) 47.925 18.723 ( 0.000 -10.725 1.470) 10.825 18.744 ( 0.000 -12.343 -0.645) 12.360 19.914 ( 0.000 -5.413 8.474) 10.056 20.053 ( 0.000 -5.064 -5.480) 7.462 20.803 ( 0.000 -6.296 9.251) 11.190 20.881 ( 0.000 0.909 0.329) 0.967 21.981 ( 0.000 1.504 6.137) 6.319 22.051 ( 0.000 0.221 -0.990) 1.014 23.132 ( 0.000 -0.685 0.439) 0.814 23.151 ( 0.000 -1.122 -1.171) 1.622 ======================= Grid point 141 (50/63) ======================= q-point: ( 0.25 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -1.327 4.045 2.854) 5.125 0.639 ( -2.350 1.421 -0.243) 2.757 0.801 ( 0.708 4.739 1.844) 5.134 0.822 ( -0.014 3.648 0.365) 3.666 0.929 ( 1.643 4.560 5.963) 7.684 1.002 ( 0.549 2.546 -0.412) 2.637 1.100 ( 1.502 4.361 1.555) 4.867 1.121 ( 0.736 5.463 -1.494) 5.711 1.233 ( -1.699 2.086 1.591) 3.126 1.262 ( -0.897 0.578 -0.843) 1.360 1.293 ( -3.031 1.988 2.573) 4.445 1.361 ( -3.735 0.993 -3.336) 5.106 1.376 ( 1.823 4.324 4.527) 6.520 1.449 ( -1.883 5.904 -0.078) 6.198 1.628 ( 2.158 6.582 3.311) 7.677 1.634 ( -0.405 5.387 0.631) 5.439 1.653 ( 0.124 6.242 0.079) 6.244 1.686 ( 0.372 6.499 1.325) 6.643 1.741 ( 0.148 4.691 -4.247) 6.329 1.797 ( 0.221 2.707 -8.335) 8.766 2.317 ( -0.164 -0.160 3.382) 3.390 2.354 ( -2.548 -0.272 0.515) 2.614 2.456 ( -0.130 -2.873 1.495) 3.242 2.529 ( -3.915 -2.684 -4.347) 6.437 2.796 ( 3.541 8.946 1.858) 9.799 2.861 ( 2.707 5.315 -3.985) 7.174 3.097 ( -2.709 3.907 1.888) 5.115 3.153 ( -2.905 1.620 -3.234) 4.639 3.939 ( 1.804 7.658 2.216) 8.173 3.958 ( 1.048 6.655 0.162) 6.739 4.364 ( -2.268 33.167 -0.544) 33.249 4.389 ( -3.194 34.698 -3.066) 34.979 5.866 ( -1.559 -8.852 4.320) 9.973 5.899 ( -3.886 -7.697 1.586) 8.767 6.216 ( 0.159 16.791 1.901) 16.899 6.247 ( -0.856 19.796 -1.079) 19.844 6.495 ( 11.348 -2.818 8.077) 14.211 6.668 ( 6.528 -7.518 -6.850) 12.085 7.154 ( -0.079 -6.605 6.886) 9.542 7.276 ( -1.253 -3.014 -4.558) 5.606 7.464 ( 1.054 1.806 6.704) 7.023 7.620 ( -4.786 4.851 -6.380) 9.335 7.673 ( -0.611 12.553 4.985) 13.520 7.725 ( -2.681 13.009 1.021) 13.322 8.145 ( 4.555 7.621 2.205) 9.148 8.243 ( 5.819 12.927 -5.507) 15.208 8.409 ( -0.864 23.049 2.268) 23.177 8.449 ( -2.730 21.821 -0.653) 22.001 8.730 ( 1.109 23.482 3.727) 23.801 8.845 ( 0.254 0.730 1.068) 1.318 8.927 ( -5.467 23.422 -9.202) 25.752 9.044 ( -5.234 -3.441 -10.670) 12.373 10.275 ( 10.306 -1.967 8.847) 13.724 10.462 ( 8.288 -1.438 -8.444) 11.919 10.875 ( -4.010 -4.591 8.701) 10.624 11.104 ( -7.652 -8.505 -11.750) 16.400 14.238 ( 1.040 -1.387 3.056) 3.513 14.326 ( -2.625 -2.239 -5.384) 6.395 14.946 ( 3.161 -39.806 2.057) 39.984 15.032 ( -0.388 -42.400 -5.381) 42.741 16.236 ( 2.184 44.379 2.923) 44.529 16.360 ( -2.521 46.105 -10.047) 47.254 18.732 ( 1.476 -12.381 3.144) 12.859 18.770 ( 1.486 -14.364 -0.190) 14.442 19.825 ( -6.668 -4.789 6.008) 10.173 19.913 ( -10.549 -4.265 -2.617) 11.676 20.840 ( 2.655 0.511 6.702) 7.227 20.891 ( 0.423 4.256 1.148) 4.429 22.002 ( 2.337 0.504 5.705) 6.186 22.073 ( 0.895 -3.256 -1.055) 3.538 23.136 ( 0.325 -0.489 0.041) 0.589 23.151 ( -0.102 -1.007 -1.222) 1.587 ======================= Grid point 142 (51/63) ======================= q-point: (-0.50 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -1.042 -0.064 1.502) 1.829 0.608 ( 1.042 -0.064 1.502) 1.829 0.793 ( -0.782 6.754 0.751) 6.841 0.793 ( 0.782 6.754 0.751) 6.841 0.993 ( -2.104 3.071 3.565) 5.155 0.993 ( 2.104 3.071 3.565) 5.155 1.139 ( -1.204 5.734 0.411) 5.873 1.139 ( 1.204 5.734 0.411) 5.873 1.216 ( -1.507 1.996 0.993) 2.691 1.216 ( 1.507 1.996 0.993) 2.691 1.282 ( -2.682 0.700 -1.789) 3.299 1.282 ( 2.682 0.700 -1.789) 3.299 1.418 ( -1.878 5.505 1.859) 6.107 1.418 ( 1.878 5.505 1.859) 6.107 1.632 ( -0.293 6.106 0.742) 6.157 1.632 ( 0.293 6.106 0.742) 6.157 1.671 ( -1.246 7.149 1.587) 7.428 1.671 ( 1.246 7.149 1.587) 7.428 1.779 ( -2.178 3.020 -5.389) 6.551 1.779 ( 2.178 3.020 -5.389) 6.551 2.313 ( -0.526 0.004 2.063) 2.129 2.313 ( 0.526 0.004 2.063) 2.129 2.474 ( -1.548 -2.859 -2.080) 3.860 2.474 ( 1.548 -2.859 -2.080) 3.860 2.870 ( -2.609 6.563 0.306) 7.069 2.870 ( 2.609 6.563 0.306) 7.069 3.086 ( -2.460 2.944 -2.587) 4.628 3.086 ( 2.460 2.944 -2.587) 4.628 3.967 ( -0.539 3.385 1.776) 3.860 3.967 ( 0.539 3.385 1.776) 3.860 4.341 ( -0.687 37.551 -2.152) 37.619 4.341 ( 0.687 37.551 -2.152) 37.619 5.851 ( -0.584 -7.631 3.115) 8.263 5.851 ( 0.584 -7.631 3.115) 8.263 6.231 ( -0.862 19.014 -0.293) 19.036 6.231 ( 0.862 19.014 -0.293) 19.036 6.690 ( -5.808 -8.036 3.887) 10.650 6.690 ( 5.808 -8.036 3.887) 10.650 7.205 ( -5.007 -4.586 -1.954) 7.066 7.205 ( 5.007 -4.586 -1.954) 7.066 7.517 ( -4.207 4.740 -0.661) 6.372 7.517 ( 4.207 4.740 -0.661) 6.372 7.679 ( -1.452 12.705 3.043) 13.145 7.679 ( 1.452 12.705 3.043) 13.145 8.285 ( -6.508 4.081 2.156) 7.978 8.285 ( 6.508 4.081 2.156) 7.978 8.374 ( -1.649 29.752 0.533) 29.802 8.374 ( 1.649 29.752 0.533) 29.802 8.814 ( -5.603 24.503 -2.889) 25.301 8.814 ( 5.603 24.503 -2.889) 25.301 8.907 ( -6.312 -3.769 -6.691) 9.941 8.907 ( 6.312 -3.769 -6.691) 9.941 10.493 ( -7.993 -4.744 5.752) 10.931 10.493 ( 7.993 -4.744 5.752) 10.931 10.910 ( -9.169 -4.122 -6.676) 12.068 10.910 ( 9.169 -4.122 -6.676) 12.068 14.272 ( -2.322 -1.693 0.131) 2.876 14.272 ( 2.322 -1.693 0.131) 2.876 15.006 ( -2.279 -41.728 -2.684) 41.876 15.006 ( 2.279 -41.728 -2.684) 41.876 16.296 ( -3.442 45.606 -2.958) 45.832 16.296 ( 3.442 45.606 -2.958) 45.832 18.772 ( -1.567 -15.560 2.917) 15.908 18.772 ( 1.567 -15.560 2.917) 15.908 19.761 ( -2.371 -2.732 0.912) 3.730 19.761 ( 2.371 -2.732 0.912) 3.730 20.883 ( -1.320 6.266 3.356) 7.230 20.883 ( 1.320 6.266 3.356) 7.230 22.058 ( -2.363 -3.251 2.292) 4.627 22.058 ( 2.363 -3.251 2.292) 4.627 23.144 ( -0.459 -0.599 -0.861) 1.145 23.144 ( 0.459 -0.599 -0.861) 1.145 ======================= Grid point 145 (52/63) ======================= q-point: ( 0.00 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.000 4.875 1.496) 5.100 0.773 ( 0.000 4.560 0.849) 4.638 0.848 ( 0.000 5.735 2.654) 6.319 0.855 ( 0.000 5.141 1.564) 5.374 1.020 ( 0.000 3.741 3.234) 4.945 1.078 ( 0.000 4.885 -2.538) 5.505 1.165 ( 0.000 3.422 1.131) 3.604 1.201 ( 0.000 3.496 -2.076) 4.066 1.291 ( 0.000 0.273 1.883) 1.902 1.311 ( 0.000 0.488 0.735) 0.883 1.347 ( 0.000 2.872 2.132) 3.577 1.401 ( 0.000 2.273 -2.512) 3.388 1.476 ( 0.000 6.293 6.047) 8.727 1.632 ( 0.000 5.851 -7.661) 9.639 1.668 ( 0.000 2.127 5.504) 5.901 1.741 ( 0.000 1.750 -1.942) 2.615 1.757 ( 0.000 7.314 3.270) 8.012 1.801 ( 0.000 6.075 0.699) 6.116 1.831 ( 0.000 3.129 -2.281) 3.872 1.870 ( 0.000 6.103 -6.373) 8.824 2.318 ( 0.000 0.228 2.936) 2.945 2.372 ( 0.000 0.461 -2.306) 2.352 2.432 ( 0.000 -1.294 4.880) 5.048 2.530 ( 0.000 -2.833 -4.321) 5.166 3.018 ( 0.000 12.757 -0.214) 12.759 3.040 ( 0.000 16.937 -2.338) 17.098 3.260 ( 0.000 8.983 0.512) 8.997 3.267 ( 0.000 6.396 -0.193) 6.399 4.129 ( 0.000 11.768 2.324) 11.995 4.144 ( 0.000 11.809 0.537) 11.821 5.018 ( 0.000 27.984 0.652) 27.991 5.100 ( 0.000 29.633 -7.421) 30.548 5.647 ( 0.000 -13.665 6.523) 15.142 5.732 ( 0.000 -13.417 -1.177) 13.469 6.095 ( 0.000 -10.556 10.349) 14.783 6.291 ( 0.000 -12.271 -7.215) 14.235 6.628 ( 0.000 9.477 1.017) 9.531 6.643 ( 0.000 8.865 -0.105) 8.866 6.998 ( 0.000 -8.063 10.436) 13.188 7.199 ( 0.000 -4.834 -8.558) 9.829 7.398 ( 0.000 -3.506 10.740) 11.298 7.697 ( 0.000 -2.158 -14.963) 15.118 7.955 ( 0.000 11.131 9.173) 14.424 8.022 ( 0.000 7.962 3.013) 8.513 8.208 ( 0.000 6.657 -0.288) 6.663 8.290 ( 0.000 7.411 -6.220) 9.676 8.800 ( 0.000 0.641 7.601) 7.628 8.952 ( 0.000 9.786 -3.608) 10.430 9.067 ( 0.000 19.506 -3.731) 19.859 9.124 ( 0.000 29.901 -5.630) 30.426 9.417 ( 0.000 34.453 1.182) 34.474 9.480 ( 0.000 25.814 -5.272) 26.346 10.214 ( 0.000 6.786 11.710) 13.534 10.451 ( 0.000 6.349 -10.087) 11.918 10.904 ( 0.000 5.459 5.404) 7.681 11.055 ( 0.000 -0.895 -7.542) 7.595 14.099 ( 0.000 -21.063 1.867) 21.146 14.156 ( 0.000 -28.113 -3.514) 28.331 14.170 ( 0.000 -21.215 3.958) 21.581 14.280 ( 0.000 -17.800 -6.661) 19.005 17.008 ( 0.000 32.316 5.783) 32.829 17.171 ( 0.000 29.682 -10.493) 31.482 18.491 ( 0.000 -12.498 1.208) 12.557 18.508 ( 0.000 -11.601 -0.615) 11.618 19.750 ( 0.000 -8.129 10.680) 13.422 19.905 ( 0.000 -7.847 -4.894) 9.248 20.558 ( 0.000 -13.874 8.900) 16.483 20.695 ( 0.000 -15.157 -4.233) 15.737 22.228 ( 0.000 17.007 1.752) 17.097 22.253 ( 0.000 15.336 -0.604) 15.348 23.138 ( 0.000 0.982 -0.023) 0.982 23.150 ( 0.000 0.823 -1.058) 1.340 ======================= Grid point 146 (53/63) ======================= q-point: ( 0.25 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -3.701 4.741 1.032) 6.103 0.699 ( -4.053 4.635 0.304) 6.165 0.903 ( 2.564 4.966 3.219) 6.449 0.918 ( 2.253 4.978 2.054) 5.838 1.042 ( 2.413 5.539 2.864) 6.686 1.086 ( 0.493 4.891 -1.180) 5.056 1.189 ( 1.917 4.222 0.432) 4.657 1.196 ( 0.166 1.999 0.179) 2.014 1.259 ( -3.063 0.989 0.901) 3.343 1.268 ( -1.529 0.849 -0.216) 1.763 1.345 ( -0.867 2.862 1.854) 3.518 1.392 ( -1.806 2.625 -2.916) 4.319 1.503 ( 2.482 6.588 5.064) 8.672 1.602 ( -1.913 7.603 -0.675) 7.869 1.680 ( 0.705 0.590 -0.127) 0.928 1.730 ( -1.008 1.642 -2.390) 3.070 1.790 ( -0.160 5.944 0.161) 5.948 1.802 ( 3.002 5.746 1.465) 6.646 1.821 ( -0.842 4.231 -1.644) 4.616 1.880 ( 0.363 6.230 -4.406) 7.640 2.322 ( 0.276 0.445 3.023) 3.068 2.365 ( -1.733 1.287 0.621) 2.246 2.414 ( -0.128 -1.411 0.991) 1.729 2.486 ( -3.362 -1.711 -4.066) 5.547 3.041 ( 2.137 11.982 -0.011) 12.171 3.064 ( 1.987 16.082 -2.133) 16.344 3.225 ( -2.860 7.888 0.362) 8.398 3.238 ( -2.629 7.454 -0.737) 7.939 4.126 ( -0.259 11.672 2.209) 11.882 4.136 ( -0.677 11.644 0.992) 11.705 5.020 ( 0.366 28.421 -0.463) 28.427 5.078 ( -1.918 29.650 -6.193) 30.351 5.647 ( 0.115 -12.463 5.579) 13.655 5.696 ( -2.513 -12.079 1.390) 12.416 6.156 ( 4.861 -11.645 7.036) 14.447 6.286 ( -0.669 -11.784 -4.222) 12.536 6.659 ( 2.786 8.204 2.443) 9.002 6.693 ( 3.231 6.136 0.188) 6.937 7.011 ( 1.734 -7.159 5.984) 9.490 7.169 ( -2.641 -6.497 -7.207) 10.056 7.485 ( 7.009 0.203 6.301) 9.427 7.677 ( -1.515 1.308 -10.354) 10.546 7.902 ( -4.010 8.766 8.231) 12.676 7.961 ( -4.966 7.142 2.486) 9.047 8.254 ( 4.553 7.560 2.324) 9.127 8.359 ( 4.602 5.450 -6.884) 9.913 8.725 ( -4.919 1.088 5.060) 7.141 8.886 ( -7.436 1.794 -9.094) 11.883 9.098 ( 5.233 29.619 3.413) 30.271 9.213 ( 6.116 31.066 -6.445) 32.312 9.358 ( -4.994 30.954 2.618) 31.463 9.452 ( -3.262 28.842 -6.282) 29.697 10.285 ( 6.306 3.494 10.220) 12.507 10.466 ( 0.524 1.448 -5.772) 5.974 10.892 ( -0.403 7.533 3.000) 8.118 11.016 ( -3.725 1.331 -7.008) 8.047 14.102 ( 0.504 -21.349 2.926) 21.554 14.154 ( -1.411 -21.117 4.281) 21.593 14.181 ( 2.159 -26.372 -4.468) 26.835 14.267 ( -1.247 -19.873 -6.539) 20.958 17.037 ( 2.638 32.219 4.067) 32.582 17.154 ( -1.716 30.408 -7.670) 31.408 18.482 ( -0.700 -13.325 1.226) 13.399 18.491 ( -1.275 -12.605 0.286) 12.672 19.716 ( -2.175 -4.758 7.392) 9.056 19.817 ( -6.586 -4.499 -2.657) 8.407 20.632 ( 5.433 -15.575 6.017) 17.558 20.718 ( 1.411 -16.135 -2.179) 16.343 22.230 ( 0.248 16.636 1.400) 16.697 22.249 ( -0.408 15.290 -0.361) 15.300 23.142 ( 0.296 0.907 -0.226) 0.980 23.150 ( -0.016 0.772 -0.955) 1.228 ======================= Grid point 147 (54/63) ======================= q-point: (-0.50 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -0.210 4.228 0.357) 4.249 0.653 ( 0.210 4.228 0.357) 4.249 0.930 ( -0.484 5.864 2.696) 6.472 0.930 ( 0.484 5.864 2.696) 6.472 1.084 ( -1.001 5.534 1.627) 5.854 1.084 ( 1.001 5.534 1.627) 5.854 1.198 ( -1.581 0.479 1.734) 2.395 1.198 ( 1.581 0.479 1.734) 2.395 1.258 ( -1.990 2.012 -0.755) 2.929 1.258 ( 1.990 2.012 -0.755) 2.929 1.337 ( -1.960 4.581 -1.247) 5.136 1.337 ( 1.960 4.581 -1.247) 5.136 1.558 ( -2.581 7.054 2.839) 8.030 1.558 ( 2.581 7.054 2.839) 8.030 1.702 ( -1.465 1.366 -1.945) 2.792 1.702 ( 1.465 1.366 -1.945) 2.792 1.797 ( -0.957 3.899 -1.284) 4.215 1.797 ( 0.957 3.899 -1.284) 4.215 1.864 ( -2.141 6.651 -0.894) 7.044 1.864 ( 2.141 6.651 -0.894) 7.044 2.329 ( -0.854 1.404 2.641) 3.110 2.329 ( 0.854 1.404 2.641) 3.110 2.433 ( -1.672 -1.275 -2.709) 3.429 2.433 ( 1.672 -1.275 -2.709) 3.429 3.085 ( -1.124 13.397 -0.588) 13.457 3.085 ( 1.124 13.397 -0.588) 13.457 3.190 ( -0.850 7.642 -0.851) 7.736 3.190 ( 0.850 7.642 -0.851) 7.736 4.125 ( -0.268 11.545 1.765) 11.682 4.125 ( 0.268 11.545 1.765) 11.682 5.039 ( -1.591 29.179 -3.278) 29.406 5.039 ( 1.591 29.179 -3.278) 29.406 5.658 ( -1.131 -11.236 3.904) 11.949 5.658 ( 1.131 -11.236 3.904) 11.949 6.247 ( -3.430 -11.883 1.527) 12.462 6.247 ( 3.430 -11.883 1.527) 12.462 6.712 ( -1.573 5.156 3.519) 6.437 6.712 ( 1.573 5.156 3.519) 6.437 7.086 ( -5.105 -6.737 -4.528) 9.589 7.086 ( 5.105 -6.737 -4.528) 9.589 7.621 ( -5.187 4.978 0.045) 7.189 7.621 ( 5.187 4.978 0.045) 7.189 7.871 ( -2.377 5.688 3.989) 7.343 7.871 ( 2.377 5.688 3.989) 7.343 8.365 ( -4.766 5.762 1.290) 7.588 8.365 ( 4.766 5.762 1.290) 7.588 8.726 ( -6.125 0.927 -6.256) 8.804 8.726 ( 6.125 0.927 -6.256) 8.804 9.227 ( -6.536 33.892 4.231) 34.775 9.227 ( 6.536 33.892 4.231) 34.775 9.352 ( -6.041 28.364 -6.743) 29.774 9.352 ( 6.041 28.364 -6.743) 29.774 10.419 ( -5.510 -1.690 4.496) 7.310 10.419 ( 5.510 -1.690 4.496) 7.310 10.928 ( -3.989 6.750 -3.838) 8.729 10.928 ( 3.989 6.750 -3.838) 8.729 14.123 ( -1.466 -21.028 4.212) 21.496 14.123 ( 1.466 -21.028 4.212) 21.496 14.230 ( -2.343 -23.588 -5.836) 24.412 14.230 ( 2.343 -23.588 -5.836) 24.412 17.101 ( -3.315 31.636 -1.181) 31.831 17.101 ( 3.315 31.636 -1.181) 31.831 18.474 ( -0.166 -13.859 1.144) 13.907 18.474 ( 0.166 -13.859 1.144) 13.907 19.714 ( -2.659 -1.755 1.569) 3.552 19.714 ( 2.659 -1.755 1.569) 3.552 20.716 ( -2.171 -16.759 1.761) 16.991 20.716 ( 2.171 -16.759 1.761) 16.991 22.238 ( -0.548 15.755 0.476) 15.772 22.238 ( 0.548 15.755 0.476) 15.772 23.148 ( -0.222 0.782 -0.643) 1.037 23.148 ( 0.222 0.782 -0.643) 1.037 ======================= Grid point 150 (55/63) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.000 3.763 1.004) 3.895 0.859 ( 0.000 3.802 0.439) 3.827 0.967 ( 0.000 5.589 2.472) 6.112 0.976 ( 0.000 5.957 1.479) 6.138 1.077 ( 0.000 1.714 3.131) 3.570 1.142 ( 0.000 1.486 -2.865) 3.227 1.235 ( 0.000 3.234 2.059) 3.834 1.292 ( 0.000 1.314 -1.638) 2.100 1.305 ( 0.000 3.338 0.531) 3.380 1.308 ( 0.000 1.838 0.995) 2.090 1.418 ( 0.000 3.722 2.448) 4.455 1.463 ( 0.000 2.880 -2.308) 3.690 1.568 ( 0.000 2.696 3.184) 4.172 1.675 ( 0.000 -0.696 -6.341) 6.380 1.684 ( 0.000 -0.013 2.567) 2.567 1.743 ( 0.000 -1.243 -3.077) 3.319 1.896 ( 0.000 6.506 3.712) 7.491 1.941 ( 0.000 6.903 -0.870) 6.957 1.948 ( 0.000 7.350 0.183) 7.353 1.996 ( 0.000 5.616 -3.942) 6.861 2.323 ( 0.000 0.312 3.199) 3.215 2.390 ( 0.000 1.053 -3.111) 3.284 2.418 ( 0.000 0.036 2.984) 2.984 2.474 ( 0.000 -2.393 -2.282) 3.306 3.314 ( 0.000 15.837 3.824) 16.292 3.392 ( 0.000 16.657 -3.119) 16.947 3.426 ( 0.000 8.762 2.684) 9.164 3.478 ( 0.000 11.954 -2.481) 12.208 4.367 ( 0.000 9.994 1.853) 10.164 4.396 ( 0.000 11.135 -1.114) 11.191 5.339 ( 0.000 -14.677 5.992) 15.853 5.414 ( 0.000 -14.633 -0.841) 14.657 5.483 ( 0.000 16.244 3.966) 16.722 5.595 ( 0.000 16.114 -6.107) 17.233 5.906 ( 0.000 -6.125 6.302) 8.788 6.058 ( 0.000 -7.772 -7.422) 10.747 6.696 ( 0.000 -1.859 0.892) 2.062 6.706 ( 0.000 -2.451 0.745) 2.561 6.838 ( 0.000 -7.700 9.320) 12.089 7.100 ( 0.000 -5.178 -12.684) 13.700 7.347 ( 0.000 -1.034 9.307) 9.364 7.620 ( 0.000 -4.910 -16.322) 17.044 8.039 ( 0.000 -1.525 5.496) 5.704 8.079 ( 0.000 1.962 4.730) 5.121 8.477 ( 0.000 15.343 1.896) 15.460 8.519 ( 0.000 14.491 -3.007) 14.800 8.864 ( 0.000 5.642 7.257) 9.192 9.048 ( 0.000 6.559 -9.060) 11.185 9.399 ( 0.000 9.605 -1.352) 9.699 9.438 ( 0.000 7.025 -5.393) 8.856 10.039 ( 0.000 15.241 8.408) 17.406 10.111 ( 0.000 23.100 0.580) 23.107 10.487 ( 0.000 24.055 4.301) 24.437 10.590 ( 0.000 12.469 -3.750) 13.020 11.148 ( 0.000 14.964 -0.346) 14.968 11.176 ( 0.000 11.006 -2.218) 11.227 13.568 ( 0.000 -18.794 1.103) 18.827 13.595 ( 0.000 -19.468 -1.430) 19.520 13.969 ( 0.000 -8.299 2.693) 8.725 14.048 ( 0.000 -10.095 -4.866) 11.207 17.504 ( 0.000 17.176 4.437) 17.740 17.600 ( 0.000 13.683 -4.706) 14.469 18.233 ( 0.000 -11.935 1.158) 11.991 18.269 ( 0.000 -11.560 -2.152) 11.758 19.635 ( 0.000 -3.013 8.420) 8.943 19.773 ( 0.000 -4.799 -4.767) 6.765 20.303 ( 0.000 -11.116 4.192) 11.880 20.384 ( 0.000 -14.316 -3.395) 14.713 22.548 ( 0.000 13.589 0.308) 13.593 22.551 ( 0.000 12.901 -0.000) 12.901 23.154 ( 0.000 0.079 0.111) 0.136 23.166 ( 0.000 0.264 -1.030) 1.063 ======================= Grid point 151 (56/63) ======================= q-point: ( 0.25 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -3.303 5.289 0.392) 6.248 0.805 ( -3.603 5.360 -0.520) 6.479 0.996 ( 1.851 3.784 2.981) 5.161 1.007 ( 1.647 3.785 2.109) 4.635 1.120 ( 3.323 2.185 2.581) 4.741 1.159 ( 1.188 1.957 -0.973) 2.487 1.224 ( -1.662 0.993 2.639) 3.273 1.269 ( -2.433 0.309 -0.162) 2.458 1.284 ( 0.455 4.590 1.123) 4.747 1.326 ( 0.531 4.826 -2.455) 5.441 1.410 ( -0.120 3.492 2.187) 4.122 1.455 ( -0.941 2.924 -2.281) 3.826 1.592 ( 2.114 2.257 2.841) 4.199 1.670 ( -0.680 -0.384 0.797) 1.116 1.696 ( 1.075 0.587 -3.920) 4.107 1.737 ( -0.541 -0.688 -3.026) 3.149 1.888 ( -0.621 5.483 1.327) 5.675 1.908 ( -1.890 6.403 -0.641) 6.707 1.974 ( 1.750 7.299 0.463) 7.520 2.010 ( 0.598 5.687 -2.548) 6.260 2.332 ( 0.850 0.571 3.129) 3.292 2.395 ( -1.689 1.212 2.261) 3.071 2.399 ( 0.502 0.179 -2.335) 2.395 2.454 ( -1.677 -1.320 -2.559) 3.332 3.316 ( 0.489 14.583 4.049) 15.142 3.396 ( -2.438 9.589 2.680) 10.250 3.401 ( 0.695 15.975 -3.253) 16.318 3.457 ( -1.710 12.664 -2.859) 13.095 4.371 ( 0.358 10.768 1.740) 10.914 4.391 ( -0.442 11.621 -0.307) 11.633 5.333 ( -0.330 -13.440 4.802) 14.276 5.373 ( -2.426 -9.191 0.606) 9.525 5.518 ( 2.154 10.913 2.506) 11.402 5.589 ( -0.767 15.737 -4.622) 16.420 5.944 ( 3.344 -6.999 4.829) 9.137 6.049 ( -0.848 -8.411 -4.269) 9.471 6.703 ( 0.832 -3.497 2.999) 4.682 6.720 ( 0.929 -2.959 1.565) 3.474 6.869 ( 2.588 -6.915 1.523) 7.539 7.033 ( -4.683 -6.884 -10.054) 13.054 7.488 ( 11.045 0.431 5.683) 12.429 7.672 ( 4.740 -1.756 -11.448) 12.515 7.978 ( -5.510 -0.234 7.478) 9.292 8.033 ( -4.625 1.465 2.526) 5.470 8.489 ( 1.590 13.767 1.898) 13.988 8.545 ( 2.046 12.826 -3.848) 13.546 8.793 ( -4.746 6.045 4.497) 8.905 8.947 ( -8.156 5.947 -9.414) 13.802 9.476 ( 7.236 10.046 1.975) 12.537 9.557 ( 7.873 8.902 -5.380) 13.045 9.978 ( -4.435 15.703 8.003) 18.174 10.073 ( -4.261 19.714 -1.222) 20.206 10.504 ( 1.502 22.404 3.958) 22.800 10.574 ( -1.417 14.485 -1.610) 14.643 11.150 ( 0.287 14.792 -0.535) 14.805 11.172 ( -0.421 11.890 -1.996) 12.064 13.573 ( 0.544 -18.953 0.957) 18.985 13.594 ( -0.164 -19.521 -0.903) 19.543 13.975 ( 0.622 -8.488 1.625) 8.665 14.031 ( -1.509 -9.843 -3.752) 10.641 17.525 ( 1.905 16.594 3.694) 17.107 17.596 ( -0.605 14.111 -2.975) 14.434 18.219 ( -0.914 -11.602 0.552) 11.651 18.250 ( -1.681 -11.165 -2.225) 11.508 19.651 ( 1.500 -1.575 6.291) 6.656 19.745 ( -2.418 -2.489 -2.612) 4.343 20.329 ( 2.121 -13.448 2.692) 13.878 20.384 ( -0.204 -15.367 -2.384) 15.552 22.547 ( -0.080 13.506 0.247) 13.509 22.549 ( -0.167 13.042 0.014) 13.043 23.157 ( 0.203 0.048 -0.071) 0.220 23.165 ( -0.133 0.180 -0.871) 0.900 ======================= Grid point 152 (57/63) ======================= q-point: (-0.50 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -0.298 5.908 -0.555) 5.941 0.761 ( 0.298 5.908 -0.555) 5.941 1.022 ( -0.416 3.232 2.877) 4.347 1.022 ( 0.416 3.232 2.877) 4.347 1.171 ( -1.393 2.253 1.358) 2.977 1.171 ( 1.393 2.253 1.358) 2.977 1.209 ( -2.436 0.806 1.430) 2.937 1.209 ( 2.436 0.806 1.430) 2.937 1.317 ( -1.621 4.237 -0.099) 4.538 1.317 ( 1.621 4.237 -0.099) 4.538 1.426 ( -1.564 3.751 -1.261) 4.255 1.426 ( 1.564 3.751 -1.261) 4.255 1.640 ( -2.230 1.174 2.327) 3.430 1.640 ( 2.230 1.174 2.327) 3.430 1.720 ( -1.148 0.182 -3.904) 4.074 1.720 ( 1.148 0.182 -3.904) 4.074 1.883 ( -0.402 5.506 -0.236) 5.526 1.883 ( 0.402 5.506 -0.236) 5.526 2.006 ( -1.038 6.188 -0.613) 6.304 2.006 ( 1.038 6.188 -0.613) 6.304 2.356 ( -1.574 1.142 3.077) 3.640 2.356 ( 1.574 1.142 3.077) 3.640 2.421 ( -1.417 0.013 -2.967) 3.288 2.421 ( 1.417 0.013 -2.967) 3.288 3.344 ( -2.236 11.900 3.700) 12.661 3.344 ( 2.236 11.900 3.700) 12.661 3.423 ( -1.428 14.315 -3.536) 14.814 3.423 ( 1.428 14.315 -3.536) 14.814 4.380 ( -0.554 11.805 1.042) 11.864 4.380 ( 0.554 11.805 1.042) 11.864 5.338 ( -0.979 -10.460 2.476) 10.793 5.338 ( 0.979 -10.460 2.476) 10.793 5.560 ( -1.937 12.736 -0.688) 12.901 5.560 ( 1.937 12.736 -0.688) 12.901 6.014 ( -2.869 -8.276 1.171) 8.837 6.014 ( 2.869 -8.276 1.171) 8.837 6.723 ( -0.766 -3.674 3.041) 4.831 6.723 ( 0.766 -3.674 3.041) 4.831 6.939 ( -4.351 -7.721 -7.204) 11.421 6.939 ( 4.351 -7.721 -7.204) 11.421 7.699 ( -6.840 2.632 0.659) 7.359 7.699 ( 6.840 2.632 0.659) 7.359 7.920 ( -3.984 -0.298 2.821) 4.891 7.920 ( 3.984 -0.298 2.821) 4.891 8.542 ( -2.863 11.538 1.042) 11.933 8.542 ( 2.863 11.538 1.042) 11.933 8.790 ( -5.539 6.417 -5.776) 10.258 8.790 ( 5.539 6.417 -5.776) 10.258 9.616 ( -4.007 10.718 1.169) 11.502 9.616 ( 4.007 10.718 1.169) 11.502 9.963 ( -4.499 15.837 0.690) 16.478 9.963 ( 4.499 15.837 0.690) 16.478 10.540 ( -1.873 18.673 1.964) 18.869 10.540 ( 1.873 18.673 1.964) 18.869 11.160 ( -0.625 13.701 -1.254) 13.773 11.160 ( 0.625 13.701 -1.254) 13.773 13.586 ( -0.585 -19.340 0.234) 19.350 13.586 ( 0.585 -19.340 0.234) 19.350 13.997 ( -1.567 -9.138 -1.059) 9.332 13.997 ( 1.567 -9.138 -1.059) 9.332 17.568 ( -2.051 15.273 0.945) 15.439 17.568 ( 2.051 15.273 0.945) 15.439 18.218 ( -0.995 -11.018 -1.286) 11.137 18.218 ( 0.995 -11.018 -1.286) 11.137 19.692 ( -2.477 -0.315 1.801) 3.078 19.692 ( 2.477 -0.315 1.801) 3.078 20.368 ( -1.447 -15.944 -0.022) 16.010 20.368 ( 1.447 -15.944 -0.022) 16.010 22.547 ( -0.077 13.302 0.107) 13.303 22.547 ( 0.077 13.302 0.107) 13.303 23.161 ( -0.231 0.058 -0.483) 0.538 23.161 ( 0.231 0.058 -0.483) 0.538 ======================= Grid point 155 (58/63) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.000 2.630 -0.206) 2.638 0.925 ( 0.000 2.603 -0.895) 2.752 1.059 ( 0.000 3.113 2.581) 4.043 1.067 ( 0.000 2.254 1.864) 2.925 1.110 ( 0.000 2.361 2.667) 3.562 1.163 ( 0.000 1.033 -2.073) 2.316 1.269 ( 0.000 -1.242 2.116) 2.454 1.275 ( 0.000 0.839 0.707) 1.097 1.371 ( 0.000 3.553 1.153) 3.735 1.408 ( 0.000 4.001 -2.743) 4.851 1.481 ( 0.000 2.281 1.593) 2.783 1.501 ( 0.000 0.981 -1.064) 1.448 1.596 ( 0.000 0.410 0.429) 0.593 1.649 ( 0.000 -1.368 -4.743) 4.936 1.684 ( 0.000 0.230 0.313) 0.389 1.712 ( 0.000 -1.500 -2.189) 2.653 2.015 ( 0.000 4.868 2.628) 5.532 2.055 ( 0.000 3.866 -1.074) 4.012 2.066 ( 0.000 3.926 0.010) 3.926 2.085 ( 0.000 2.911 -1.891) 3.472 2.334 ( 0.000 1.025 3.142) 3.305 2.394 ( 0.000 -0.620 -2.306) 2.387 2.436 ( 0.000 1.456 0.835) 1.678 2.456 ( 0.000 0.645 -1.348) 1.495 3.606 ( 0.000 8.787 5.233) 10.227 3.636 ( 0.000 14.919 5.629) 15.946 3.669 ( 0.000 10.004 -0.422) 10.013 3.733 ( 0.000 12.425 -3.553) 12.923 4.479 ( 0.000 1.007 0.987) 1.410 4.527 ( 0.000 1.463 -3.618) 3.903 5.031 ( 0.000 -14.191 5.480) 15.213 5.096 ( 0.000 -15.041 -0.198) 15.042 5.745 ( 0.000 9.940 7.601) 12.513 5.834 ( 0.000 8.137 0.453) 8.150 5.909 ( 0.000 6.152 0.295) 6.159 6.046 ( 0.000 5.241 -12.488) 13.543 6.583 ( 0.000 -8.223 4.416) 9.334 6.600 ( 0.000 -6.494 0.123) 6.495 6.700 ( 0.000 -5.356 2.110) 5.756 6.965 ( 0.000 -8.477 -17.008) 19.003 7.353 ( 0.000 1.377 6.294) 6.443 7.521 ( 0.000 -4.428 -10.192) 11.112 8.015 ( 0.000 -0.745 5.799) 5.847 8.080 ( 0.000 -1.416 1.657) 2.180 8.771 ( 0.000 13.230 2.524) 13.468 8.817 ( 0.000 13.648 -1.563) 13.737 9.034 ( 0.000 11.023 10.096) 14.948 9.238 ( 0.000 11.135 -7.971) 13.694 9.524 ( 0.000 3.610 -0.689) 3.675 9.535 ( 0.000 3.257 -2.907) 4.366 10.098 ( 0.000 -3.093 10.987) 11.414 10.234 ( 0.000 -3.419 -1.359) 3.679 10.964 ( 0.000 16.044 0.017) 16.044 10.973 ( 0.000 17.395 -0.803) 17.413 11.355 ( 0.000 3.760 0.236) 3.768 11.363 ( 0.000 4.301 -0.631) 4.347 13.411 ( 0.000 2.972 1.187) 3.200 13.434 ( 0.000 2.994 -0.861) 3.116 13.840 ( 0.000 -4.197 1.477) 4.449 13.879 ( 0.000 -6.297 -2.209) 6.673 17.749 ( 0.000 8.100 2.219) 8.398 17.776 ( 0.000 4.845 0.084) 4.845 18.038 ( 0.000 -6.972 -1.219) 7.078 18.058 ( 0.000 -8.828 -2.659) 9.220 19.618 ( 0.000 0.998 4.753) 4.857 19.711 ( 0.000 -1.463 -4.037) 4.294 20.105 ( 0.000 -8.400 1.526) 8.537 20.131 ( 0.000 -10.484 -0.848) 10.518 22.766 ( 0.000 8.556 0.298) 8.562 22.774 ( 0.000 8.961 -0.370) 8.969 23.126 ( 0.000 -2.975 0.445) 3.008 23.143 ( 0.000 -2.811 -1.085) 3.013 ======================= Grid point 156 (59/63) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -1.526 4.354 -0.418) 4.633 0.906 ( -1.646 4.384 -1.418) 4.893 1.047 ( 0.272 1.295 2.533) 2.858 1.064 ( -0.104 1.512 1.179) 1.920 1.155 ( 3.000 1.622 2.478) 4.216 1.185 ( 1.297 1.033 -0.559) 1.750 1.236 ( -1.950 0.102 2.316) 3.029 1.264 ( -1.747 -0.207 0.027) 1.759 1.379 ( 0.940 4.027 1.310) 4.338 1.417 ( 0.202 3.346 -2.026) 3.917 1.473 ( -0.212 2.371 1.379) 2.751 1.496 ( -0.584 1.100 -0.949) 1.566 1.616 ( 1.724 0.565 0.178) 1.823 1.660 ( 0.596 -0.683 -3.357) 3.477 1.690 ( 0.542 -0.391 -0.766) 1.016 1.712 ( -0.070 -1.485 -2.225) 2.676 1.999 ( -0.927 4.797 1.455) 5.098 2.024 ( -1.946 4.563 -0.861) 5.035 2.083 ( 0.950 3.174 -0.095) 3.315 2.096 ( 0.382 2.669 -1.137) 2.926 2.348 ( 1.336 1.219 2.694) 3.245 2.401 ( 0.502 -0.037 -2.014) 2.076 2.421 ( -1.135 1.355 1.003) 2.032 2.447 ( -0.820 0.643 -1.525) 1.847 3.598 ( -0.618 9.880 5.242) 11.201 3.612 ( -1.636 13.708 5.673) 14.925 3.675 ( 0.529 10.724 -1.053) 10.789 3.721 ( -1.154 12.058 -3.449) 12.595 4.506 ( 2.266 2.456 0.903) 3.462 4.543 ( 1.058 3.051 -2.569) 4.127 5.030 ( 0.106 -14.663 4.935) 15.471 5.077 ( -1.609 -15.010 0.814) 15.118 5.756 ( 1.094 9.487 5.957) 11.255 5.825 ( -1.059 7.984 1.305) 8.159 5.931 ( 1.842 4.667 -0.471) 5.039 6.013 ( -2.505 4.145 -9.003) 10.223 6.577 ( 0.918 -7.240 4.333) 8.487 6.620 ( 0.619 -5.781 -0.796) 5.868 6.727 ( 2.017 -6.757 -2.762) 7.573 6.881 ( -5.999 -8.229 -13.622) 17.008 7.503 ( 11.983 0.962 4.240) 12.747 7.620 ( 8.845 -2.940 -7.179) 11.765 7.962 ( -5.391 -0.838 6.171) 8.237 8.027 ( -5.373 -1.702 1.013) 5.727 8.770 ( 0.527 13.364 2.917) 13.689 8.831 ( 1.054 13.847 -2.057) 14.038 8.965 ( -4.565 10.588 6.226) 13.104 9.122 ( -8.458 10.216 -7.651) 15.311 9.608 ( 7.982 4.187 2.438) 9.337 9.677 ( 9.199 3.575 -3.666) 10.528 10.040 ( -4.890 -3.026 10.432) 11.912 10.164 ( -6.549 -3.548 -1.051) 7.522 10.966 ( 0.327 16.531 0.339) 16.538 10.977 ( 0.170 16.821 -0.555) 16.831 11.357 ( 0.175 3.791 0.093) 3.796 11.363 ( -0.073 4.194 -0.487) 4.223 13.416 ( 0.374 2.929 0.923) 3.094 13.431 ( -0.225 2.931 -0.543) 2.989 13.841 ( 0.186 -4.410 1.011) 4.529 13.869 ( -0.881 -5.906 -1.587) 6.179 17.757 ( 0.692 7.414 2.357) 7.811 17.778 ( 0.061 5.157 0.749) 5.211 18.032 ( -0.278 -6.743 -1.718) 6.964 18.052 ( -0.640 -8.013 -3.147) 8.633 19.649 ( 2.734 1.312 4.005) 5.024 19.718 ( 0.327 -0.133 -2.414) 2.439 20.092 ( -0.904 -9.966 0.945) 10.052 20.115 ( -1.436 -10.986 -1.035) 11.128 22.766 ( 0.007 8.631 0.188) 8.633 22.771 ( -0.187 8.913 -0.292) 8.920 23.128 ( 0.196 -2.978 0.208) 2.992 23.140 ( -0.253 -2.861 -0.870) 3.001 ======================= Grid point 157 (60/63) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -0.429 5.622 -1.258) 5.777 0.880 ( 0.429 5.622 -1.258) 5.777 1.061 ( -0.570 0.575 2.028) 2.183 1.061 ( 0.570 0.575 2.028) 2.183 1.199 ( -0.855 1.001 1.173) 1.763 1.199 ( 0.855 1.001 1.173) 1.763 1.220 ( -1.902 0.263 0.842) 2.096 1.220 ( 1.902 0.263 0.842) 2.096 1.404 ( -1.271 3.713 0.746) 3.995 1.404 ( 1.271 3.713 0.746) 3.995 1.481 ( -0.773 1.548 -0.483) 1.796 1.481 ( 0.773 1.548 -0.483) 1.796 1.652 ( -1.404 0.461 -0.754) 1.659 1.652 ( 1.404 0.461 -0.754) 1.659 1.704 ( -0.690 -1.349 -2.366) 2.809 1.704 ( 0.690 -1.349 -2.366) 2.809 1.995 ( -0.665 4.872 0.033) 4.918 1.995 ( 0.665 4.872 0.033) 4.918 2.096 ( -0.297 2.574 -0.549) 2.649 2.096 ( 0.297 2.574 -0.549) 2.649 2.382 ( -1.793 1.550 1.761) 2.953 2.382 ( 1.793 1.550 1.761) 2.953 2.427 ( -1.106 0.382 -1.727) 2.086 2.427 ( 1.106 0.382 -1.727) 2.086 3.591 ( -0.222 12.049 5.525) 13.257 3.591 ( 0.222 12.049 5.525) 13.257 3.694 ( -1.308 11.279 -2.525) 11.632 3.694 ( 1.308 11.279 -2.525) 11.632 4.546 ( -1.091 4.343 -0.345) 4.491 4.546 ( 1.091 4.343 -0.345) 4.491 5.044 ( -1.332 -15.217 3.075) 15.582 5.044 ( 1.332 -15.217 3.075) 15.582 5.790 ( -2.090 8.645 2.694) 9.293 5.790 ( 2.090 8.645 2.694) 9.293 5.969 ( -1.853 2.987 -2.861) 4.532 5.969 ( 1.853 2.987 -2.861) 4.533 6.611 ( -1.592 -5.970 1.117) 6.279 6.611 ( 1.592 -5.970 1.117) 6.279 6.778 ( -3.636 -7.916 -9.355) 12.783 6.778 ( 3.636 -7.916 -9.355) 12.783 7.737 ( -6.986 1.371 1.175) 7.215 7.737 ( 6.986 1.371 1.175) 7.215 7.880 ( -5.902 -3.113 1.875) 6.932 7.880 ( 5.902 -3.113 1.875) 6.932 8.809 ( -3.027 13.839 3.126) 14.507 8.809 ( 3.027 13.839 3.126) 14.507 8.969 ( -5.492 10.083 -4.757) 12.427 8.969 ( 5.492 10.083 -4.757) 12.427 9.761 ( -4.325 4.643 1.523) 6.525 9.761 ( 4.325 4.643 1.523) 6.525 10.014 ( -5.738 -4.091 3.174) 7.729 10.014 ( 5.738 -4.091 3.174) 7.729 10.975 ( -0.361 16.625 0.142) 16.629 10.975 ( 0.361 16.625 0.142) 16.629 11.360 ( -0.152 3.959 -0.194) 3.967 11.360 ( 0.152 3.959 -0.194) 3.967 13.424 ( -0.440 2.876 0.218) 2.918 13.424 ( 0.440 2.876 0.218) 2.918 13.850 ( -0.752 -5.068 -0.212) 5.128 13.850 ( 0.752 -5.068 -0.212) 5.128 17.772 ( -0.674 6.097 2.016) 6.457 17.772 ( 0.674 6.097 2.016) 6.457 18.036 ( -0.699 -6.861 -2.985) 7.515 18.036 ( 0.699 -6.861 -2.985) 7.515 19.704 ( -2.007 1.601 1.368) 2.909 19.704 ( 2.007 1.601 1.368) 2.909 20.088 ( -0.768 -11.693 -0.566) 11.732 20.088 ( 0.768 -11.693 -0.566) 11.732 22.768 ( -0.144 8.786 -0.068) 8.787 22.768 ( 0.144 8.786 -0.068) 8.787 23.134 ( -0.314 -2.946 -0.341) 2.982 23.134 ( 0.314 -2.946 -0.341) 2.982 ======================= Grid point 160 (61/63) ======================= q-point: ( 0.00 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 0.000 1.226 -0.843) 1.488 0.960 ( 0.000 0.793 -1.260) 1.489 1.086 ( 0.000 0.434 1.744) 1.798 1.090 ( 0.000 0.293 1.573) 1.600 1.161 ( 0.000 2.051 2.105) 2.939 1.182 ( 0.000 0.205 0.611) 0.644 1.257 ( 0.000 0.437 0.739) 0.858 1.276 ( 0.000 -0.737 -0.579) 0.937 1.429 ( 0.000 2.072 0.650) 2.171 1.451 ( 0.000 0.230 -1.263) 1.283 1.507 ( 0.000 0.428 0.129) 0.447 1.509 ( 0.000 0.038 -0.542) 0.543 1.608 ( 0.000 0.959 -1.272) 1.593 1.627 ( 0.000 -0.851 -3.293) 3.402 1.686 ( 0.000 -0.112 -1.039) 1.045 1.689 ( 0.000 -0.636 -1.297) 1.445 2.086 ( 0.000 1.998 1.430) 2.457 2.099 ( 0.000 0.613 0.277) 0.673 2.112 ( 0.000 0.992 -0.584) 1.151 2.117 ( 0.000 0.528 -1.130) 1.247 2.363 ( 0.000 1.490 1.803) 2.339 2.383 ( 0.000 -0.515 0.093) 0.523 2.463 ( 0.000 0.978 -0.616) 1.155 2.470 ( 0.000 0.307 -1.440) 1.473 3.758 ( 0.000 5.592 4.414) 7.124 3.798 ( 0.000 2.302 0.985) 2.504 3.882 ( 0.000 7.953 5.647) 9.754 3.918 ( 0.000 4.505 2.095) 4.969 4.471 ( 0.000 0.180 0.422) 0.459 4.504 ( 0.000 -2.254 -2.647) 3.477 4.810 ( 0.000 -5.936 2.296) 6.364 4.843 ( 0.000 -8.593 -0.565) 8.611 5.909 ( 0.000 6.124 8.750) 10.681 5.958 ( 0.000 2.499 5.603) 6.135 6.079 ( 0.000 8.231 -6.465) 10.466 6.147 ( 0.000 2.519 -13.258) 13.495 6.438 ( 0.000 -4.232 3.724) 5.637 6.467 ( 0.000 -5.680 0.484) 5.700 6.651 ( 0.000 1.575 -5.864) 6.072 6.773 ( 0.000 -9.289 -15.108) 17.736 7.392 ( 0.000 2.323 2.176) 3.183 7.446 ( 0.000 -3.046 -3.101) 4.347 8.012 ( 0.000 0.590 4.029) 4.072 8.040 ( 0.000 -2.008 2.105) 2.909 8.991 ( 0.000 7.399 2.014) 7.668 9.021 ( 0.000 5.009 -0.673) 5.054 9.277 ( 0.000 11.174 11.359) 15.934 9.401 ( 0.000 1.312 0.878) 1.578 9.571 ( 0.000 1.839 -0.998) 2.092 9.579 ( 0.000 1.158 -2.445) 2.705 10.041 ( 0.000 -0.266 4.668) 4.675 10.120 ( 0.000 -6.490 -1.489) 6.659 11.174 ( 0.000 6.722 0.605) 6.749 11.191 ( 0.000 6.489 -0.974) 6.562 11.319 ( 0.000 -5.324 0.700) 5.369 11.333 ( 0.000 -5.316 -0.600) 5.350 13.585 ( 0.000 10.779 1.289) 10.856 13.605 ( 0.000 10.359 -0.541) 10.373 13.764 ( 0.000 -6.398 0.227) 6.402 13.764 ( 0.000 -4.853 0.236) 4.859 17.842 ( 0.000 2.671 1.231) 2.941 17.867 ( 0.000 3.955 -0.725) 4.021 17.918 ( 0.000 -4.865 -0.694) 4.914 17.940 ( 0.000 -3.414 -2.379) 4.161 19.662 ( 0.000 2.763 1.048) 2.955 19.699 ( 0.000 -0.540 -2.506) 2.564 19.972 ( 0.000 -4.421 0.917) 4.515 19.972 ( 0.000 -4.246 0.851) 4.330 22.916 ( 0.000 6.509 0.505) 6.529 22.929 ( 0.000 6.761 -0.785) 6.806 23.038 ( 0.000 -5.419 0.595) 5.451 23.055 ( 0.000 -5.493 -1.024) 5.588 ======================= Grid point 161 (62/63) ======================= q-point: ( 0.25 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.886 2.361 -0.688) 2.614 0.973 ( 0.980 1.805 -1.317) 2.440 1.059 ( -1.423 0.266 1.245) 1.909 1.070 ( -1.738 -0.598 0.252) 1.855 1.185 ( 1.776 1.234 2.323) 3.174 1.200 ( 1.033 0.040 1.053) 1.475 1.239 ( -1.394 0.637 0.979) 1.819 1.257 ( -1.639 -0.748 -0.293) 1.826 1.440 ( 1.044 2.028 0.662) 2.375 1.456 ( 0.527 0.576 -0.766) 1.094 1.501 ( -0.612 0.477 0.378) 0.863 1.505 ( -0.618 -0.061 -0.211) 0.656 1.629 ( 1.778 0.764 -1.456) 2.422 1.644 ( 1.402 -0.729 -2.937) 3.335 1.684 ( -0.285 -0.245 -1.214) 1.271 1.687 ( -0.220 -0.735 -1.466) 1.654 2.075 ( -0.533 2.647 0.853) 2.831 2.092 ( -0.998 2.213 -0.702) 2.527 2.108 ( 0.195 -0.354 0.253) 0.477 2.119 ( -0.142 -0.213 -0.712) 0.757 2.379 ( 1.419 1.445 1.393) 2.457 2.398 ( 1.274 -0.395 -0.202) 1.349 2.448 ( -1.342 1.069 -0.255) 1.734 2.458 ( -1.112 0.123 -1.240) 1.670 3.768 ( 1.021 6.072 4.536) 7.648 3.805 ( 0.743 3.242 1.675) 3.724 3.854 ( -2.185 7.148 4.731) 8.846 3.893 ( -2.244 3.812 1.513) 4.675 4.527 ( 4.810 1.400 0.919) 5.093 4.559 ( 4.454 -0.446 -1.951) 4.883 4.789 ( -1.964 -7.189 2.528) 7.869 4.819 ( -2.356 -9.100 -0.101) 9.401 5.916 ( 0.780 6.082 6.452) 8.901 5.963 ( 0.353 3.346 3.745) 5.035 6.034 ( -3.006 4.914 -2.694) 6.359 6.096 ( -4.126 1.226 -8.986) 9.964 6.472 ( 3.459 -1.383 0.956) 3.846 6.521 ( 3.246 -4.127 -3.811) 6.488 6.629 ( -1.681 -1.170 -6.089) 6.424 6.710 ( -4.851 -7.736 -12.817) 15.737 7.527 ( 11.414 1.447 2.065) 11.689 7.565 ( 10.498 -2.313 -1.672) 10.879 7.956 ( -5.725 0.502 3.887) 6.938 7.984 ( -5.762 -2.072 1.757) 6.370 9.000 ( 1.322 8.018 2.489) 8.499 9.039 ( 2.077 4.893 -1.082) 5.424 9.188 ( -6.489 9.796 7.030) 13.692 9.277 ( -8.285 2.523 -1.285) 8.756 9.673 ( 7.939 2.520 1.807) 8.523 9.708 ( 8.853 -0.475 -0.408) 8.875 9.985 ( -5.149 -0.199 4.726) 6.992 10.056 ( -5.932 -5.852 -0.829) 8.374 11.180 ( 0.505 6.887 0.503) 6.923 11.193 ( 0.066 6.746 -0.675) 6.780 11.320 ( 0.083 -5.618 0.480) 5.639 11.330 ( -0.285 -5.530 -0.460) 5.556 13.588 ( 0.252 10.641 1.031) 10.694 13.602 ( -0.294 10.344 -0.271) 10.352 13.761 ( -0.177 -5.679 0.300) 5.690 13.762 ( -0.177 -5.343 0.234) 5.352 17.848 ( 0.547 2.888 1.120) 3.146 17.866 ( -0.092 3.810 -0.232) 3.818 17.921 ( 0.316 -4.545 -1.207) 4.713 17.938 ( -0.232 -3.586 -2.374) 4.307 19.699 ( 3.336 3.085 1.175) 4.693 19.731 ( 2.793 0.541 -1.890) 3.416 19.932 ( -3.169 -4.803 1.139) 5.866 19.945 ( -2.777 -5.464 0.013) 6.129 22.917 ( 0.120 6.564 0.304) 6.573 22.926 ( -0.259 6.744 -0.612) 6.776 23.040 ( 0.175 -5.456 0.344) 5.470 23.052 ( -0.301 -5.504 -0.801) 5.570 ======================= Grid point 162 (63/63) ======================= q-point: (-0.50 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -0.387 4.249 -1.026) 4.388 0.982 ( 0.387 4.249 -1.026) 4.388 1.046 ( -0.338 -2.006 0.335) 2.061 1.046 ( 0.338 -2.006 0.335) 2.061 1.214 ( -0.592 0.559 1.279) 1.516 1.214 ( 0.592 0.559 1.279) 1.516 1.222 ( -1.356 -0.129 0.891) 1.628 1.222 ( 1.356 -0.129 0.891) 1.628 1.463 ( -0.619 2.099 0.389) 2.222 1.463 ( 0.619 2.099 0.389) 2.222 1.490 ( -0.270 -0.532 0.138) 0.612 1.490 ( 0.270 -0.532 0.138) 0.612 1.662 ( -0.812 0.523 -1.656) 1.918 1.662 ( 0.812 0.523 -1.656) 1.918 1.678 ( -0.455 -1.116 -1.875) 2.229 1.678 ( 0.455 -1.116 -1.875) 2.229 2.074 ( -0.529 2.977 -0.078) 3.025 2.074 ( 0.529 2.977 -0.078) 3.025 2.113 ( -0.334 -0.717 -0.256) 0.832 2.113 ( 0.334 -0.717 -0.256) 0.832 2.414 ( -1.750 1.326 0.411) 2.234 2.414 ( 1.750 1.326 0.411) 2.234 2.430 ( -1.523 -0.230 -0.623) 1.661 2.430 ( 1.523 -0.230 -0.623) 1.661 3.798 ( -1.759 7.244 4.919) 8.931 3.798 ( 1.759 7.244 4.919) 8.931 3.846 ( -1.903 2.931 1.085) 3.659 3.846 ( 1.903 2.931 1.084) 3.659 4.612 ( -1.486 4.142 -0.078) 4.401 4.612 ( 1.486 4.142 -0.078) 4.401 4.766 ( -1.403 -11.258 1.636) 11.463 4.766 ( 1.403 -11.258 1.636) 11.463 5.946 ( -2.029 6.609 2.279) 7.279 5.946 ( 2.029 6.609 2.279) 7.279 6.023 ( -2.302 -0.069 -2.108) 3.122 6.023 ( 2.302 -0.069 -2.108) 3.122 6.541 ( -2.237 0.366 -3.598) 4.253 6.541 ( 2.237 0.366 -3.598) 4.253 6.625 ( -2.558 -6.750 -8.881) 11.445 6.625 ( 2.558 -6.750 -8.881) 11.445 7.766 ( -6.849 1.760 1.677) 7.268 7.766 ( 6.849 1.760 1.677) 7.268 7.814 ( -6.699 -2.984 1.879) 7.570 7.814 ( 6.699 -2.984 1.879) 7.571 9.059 ( -4.304 9.423 3.201) 10.843 9.059 ( 4.304 9.423 3.201) 10.843 9.128 ( -5.500 3.380 -1.215) 6.569 9.128 ( 5.500 3.380 -1.215) 6.569 9.831 ( -5.449 2.878 1.655) 6.381 9.831 ( 5.449 2.878 1.655) 6.381 9.908 ( -6.406 -5.043 2.123) 8.425 9.908 ( 6.406 -5.043 2.123) 8.425 11.190 ( -0.377 7.035 0.023) 7.045 11.190 ( 0.377 7.035 0.023) 7.045 11.323 ( -0.291 -5.835 -0.042) 5.842 11.323 ( 0.291 -5.835 -0.042) 5.842 13.595 ( -0.392 10.415 0.386) 10.430 13.595 ( 0.392 10.415 0.386) 10.430 13.759 ( -0.034 -5.397 0.301) 5.405 13.759 ( 0.034 -5.397 0.301) 5.405 17.860 ( -0.545 3.355 0.655) 3.462 17.860 ( 0.545 3.355 0.655) 3.462 17.930 ( -0.497 -3.963 -2.063) 4.495 17.930 ( 0.497 -3.963 -2.063) 4.495 19.764 ( -1.429 4.492 0.532) 4.744 19.764 ( 1.429 4.493 0.532) 4.744 19.890 ( -0.927 -7.910 -0.249) 7.968 19.890 ( 0.927 -7.910 -0.249) 7.968 22.921 ( -0.272 6.673 -0.168) 6.680 22.921 ( 0.272 6.673 -0.168) 6.680 23.045 ( -0.337 -5.503 -0.242) 5.519 23.045 ( 0.337 -5.503 -0.242) 5.519 =================== 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 3/18720 10.0 15.735 21.472 16.560 0.000 0.000 0.000 3/18720 20.0 5.476 9.715 5.914 0.000 0.000 0.000 3/18720 30.0 3.267 6.495 3.637 0.000 0.000 0.000 3/18720 40.0 2.306 4.929 2.631 0.000 0.000 0.000 3/18720 50.0 1.780 4.027 2.062 0.000 0.000 0.000 3/18720 60.0 1.454 3.447 1.698 0.000 0.000 0.000 3/18720 70.0 1.235 3.045 1.449 0.000 0.000 0.000 3/18720 80.0 1.080 2.750 1.268 0.000 0.000 0.000 3/18720 90.0 0.964 2.524 1.132 0.000 0.000 0.000 3/18720 100.0 0.874 2.344 1.025 0.000 0.000 0.000 3/18720 110.0 0.802 2.198 0.939 0.000 0.000 0.000 3/18720 120.0 0.743 2.075 0.867 0.000 0.000 0.000 3/18720 130.0 0.693 1.969 0.808 0.000 0.000 0.000 3/18720 140.0 0.651 1.878 0.756 0.000 0.000 0.000 3/18720 150.0 0.614 1.796 0.712 0.000 0.000 0.000 3/18720 160.0 0.582 1.724 0.673 0.000 0.000 0.000 3/18720 170.0 0.553 1.658 0.639 0.000 0.000 0.000 3/18720 180.0 0.527 1.597 0.608 0.000 0.000 0.000 3/18720 190.0 0.504 1.542 0.581 0.000 0.000 0.000 3/18720 200.0 0.483 1.491 0.556 0.000 0.000 0.000 3/18720 210.0 0.464 1.443 0.533 0.000 0.000 0.000 3/18720 220.0 0.446 1.398 0.512 0.000 0.000 0.000 3/18720 230.0 0.430 1.356 0.493 0.000 0.000 0.000 3/18720 240.0 0.415 1.317 0.475 0.000 0.000 0.000 3/18720 250.0 0.401 1.280 0.459 0.000 0.000 0.000 3/18720 260.0 0.388 1.244 0.444 0.000 0.000 0.000 3/18720 270.0 0.376 1.211 0.429 0.000 0.000 0.000 3/18720 280.0 0.365 1.179 0.416 0.000 0.000 0.000 3/18720 290.0 0.354 1.149 0.404 0.000 0.000 0.000 3/18720 300.0 0.344 1.120 0.392 0.000 0.000 0.000 3/18720 310.0 0.334 1.093 0.381 0.000 0.000 0.000 3/18720 320.0 0.325 1.066 0.370 0.000 0.000 0.000 3/18720 330.0 0.317 1.041 0.360 0.000 0.000 0.000 3/18720 340.0 0.309 1.017 0.351 0.000 0.000 0.000 3/18720 350.0 0.301 0.994 0.342 0.000 0.000 0.000 3/18720 360.0 0.294 0.972 0.334 0.000 0.000 0.000 3/18720 370.0 0.287 0.951 0.325 0.000 0.000 0.000 3/18720 380.0 0.280 0.930 0.318 0.000 0.000 0.000 3/18720 390.0 0.274 0.911 0.310 0.000 0.000 0.000 3/18720 400.0 0.267 0.892 0.303 0.000 0.000 0.000 3/18720 410.0 0.262 0.874 0.297 0.000 0.000 0.000 3/18720 420.0 0.256 0.857 0.290 0.000 0.000 0.000 3/18720 430.0 0.251 0.840 0.284 0.000 0.000 0.000 3/18720 440.0 0.245 0.824 0.278 0.000 0.000 0.000 3/18720 450.0 0.241 0.808 0.272 0.000 0.000 0.000 3/18720 460.0 0.236 0.793 0.267 0.000 0.000 0.000 3/18720 470.0 0.231 0.778 0.262 0.000 0.000 0.000 3/18720 480.0 0.227 0.764 0.257 0.000 0.000 0.000 3/18720 490.0 0.223 0.751 0.252 0.000 0.000 0.000 3/18720 500.0 0.218 0.737 0.247 0.000 0.000 0.000 3/18720 510.0 0.215 0.725 0.243 0.000 0.000 0.000 3/18720 520.0 0.211 0.712 0.238 0.000 0.000 0.000 3/18720 530.0 0.207 0.701 0.234 0.000 0.000 0.000 3/18720 540.0 0.203 0.689 0.230 0.000 0.000 0.000 3/18720 550.0 0.200 0.678 0.226 0.000 0.000 0.000 3/18720 560.0 0.197 0.667 0.222 0.000 0.000 0.000 3/18720 570.0 0.193 0.656 0.219 0.000 0.000 0.000 3/18720 580.0 0.190 0.646 0.215 0.000 0.000 0.000 3/18720 590.0 0.187 0.636 0.212 0.000 0.000 0.000 3/18720 600.0 0.184 0.627 0.208 0.000 0.000 0.000 3/18720 610.0 0.182 0.617 0.205 0.000 0.000 0.000 3/18720 620.0 0.179 0.608 0.202 0.000 0.000 0.000 3/18720 630.0 0.176 0.599 0.199 0.000 0.000 0.000 3/18720 640.0 0.173 0.591 0.196 0.000 0.000 0.000 3/18720 650.0 0.171 0.582 0.193 0.000 0.000 0.000 3/18720 660.0 0.169 0.574 0.190 0.000 0.000 0.000 3/18720 670.0 0.166 0.566 0.188 0.000 0.000 0.000 3/18720 680.0 0.164 0.559 0.185 0.000 0.000 0.000 3/18720 690.0 0.162 0.551 0.182 0.000 0.000 0.000 3/18720 700.0 0.159 0.544 0.180 0.000 0.000 0.000 3/18720 710.0 0.157 0.537 0.177 0.000 0.000 0.000 3/18720 720.0 0.155 0.530 0.175 0.000 0.000 0.000 3/18720 730.0 0.153 0.523 0.173 0.000 0.000 0.000 3/18720 740.0 0.151 0.516 0.170 0.000 0.000 0.000 3/18720 750.0 0.149 0.510 0.168 0.000 0.000 0.000 3/18720 760.0 0.147 0.504 0.166 0.000 0.000 0.000 3/18720 770.0 0.145 0.498 0.164 0.000 0.000 0.000 3/18720 780.0 0.144 0.492 0.162 0.000 0.000 0.000 3/18720 790.0 0.142 0.486 0.160 0.000 0.000 0.000 3/18720 800.0 0.140 0.480 0.158 0.000 0.000 0.000 3/18720 810.0 0.139 0.474 0.156 0.000 0.000 0.000 3/18720 820.0 0.137 0.469 0.154 0.000 0.000 0.000 3/18720 830.0 0.135 0.463 0.153 0.000 0.000 0.000 3/18720 840.0 0.134 0.458 0.151 0.000 0.000 0.000 3/18720 850.0 0.132 0.453 0.149 0.000 0.000 0.000 3/18720 860.0 0.131 0.448 0.147 0.000 0.000 0.000 3/18720 870.0 0.129 0.443 0.146 0.000 0.000 0.000 3/18720 880.0 0.128 0.438 0.144 0.000 0.000 0.000 3/18720 890.0 0.126 0.434 0.143 0.000 0.000 0.000 3/18720 900.0 0.125 0.429 0.141 0.000 0.000 0.000 3/18720 910.0 0.124 0.425 0.140 0.000 0.000 0.000 3/18720 920.0 0.122 0.420 0.138 0.000 0.000 0.000 3/18720 930.0 0.121 0.416 0.137 0.000 0.000 0.000 3/18720 940.0 0.120 0.412 0.135 0.000 0.000 0.000 3/18720 950.0 0.119 0.407 0.134 0.000 0.000 0.000 3/18720 960.0 0.118 0.403 0.132 0.000 0.000 0.000 3/18720 970.0 0.116 0.399 0.131 0.000 0.000 0.000 3/18720 980.0 0.115 0.395 0.130 0.000 0.000 0.000 3/18720 990.0 0.114 0.392 0.129 0.000 0.000 0.000 3/18720 1000.0 0.113 0.388 0.127 0.000 0.000 0.000 3/18720 Thermal conductivity related properties were written into "kappa-m4135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:05:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|