----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:19:19]------------------------- 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 12.324409090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.139941540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.186031440000001 Atomic positions (fractional): *1 B 0.16623881339366 0.75000000000000 0.82950358831949 10.811 2 B 0.83376118660634 0.25000000000000 0.17049641168051 10.811 3 B 0.33376118660634 0.25000000000000 0.32950358831949 10.811 4 B 0.66623881339366 0.75000000000000 0.67049641168051 10.811 *5 N 0.71460343452185 0.75000000000000 0.80135453033527 14.007 6 N 0.28539656547815 0.25000000000000 0.19864546966473 14.007 7 N 0.78539656547815 0.25000000000000 0.30135453033527 14.007 *8 N 0.12267849914294 0.75000000000000 0.96490798358037 14.007 9 N 0.62267849914294 0.75000000000000 0.53509201641963 14.007 10 N 0.37732150085706 0.25000000000000 0.46490798358037 14.007 11 N 0.87732150085706 0.25000000000000 0.03509201641963 14.007 12 N 0.21460343452185 0.75000000000000 0.69864546966473 14.007 *13 Cl 0.06256575089865 0.75000000000000 0.35605110801930 35.453 14 Cl 0.43743424910135 0.25000000000000 0.85605110801929 35.453 15 Cl 0.93743424910135 0.25000000000000 0.64394889198071 35.453 16 Cl 0.56256575089865 0.75000000000000 0.14394889198071 35.453 *17 Sr 0.58671437722379 0.25000000000000 0.38107076425397 87.620 18 Sr 0.08671437722378 0.25000000000000 0.11892923574603 87.620 19 Sr 0.91328562277621 0.75000000000000 0.88107076425397 87.620 20 Sr 0.41328562277622 0.75000000000000 0.61892923574603 87.620 *21 Sr 0.82973021842977 0.75000000000000 0.44055287283911 87.620 22 Sr 0.17026978157023 0.25000000000000 0.55944712716089 87.620 23 Sr 0.67026978157023 0.25000000000000 0.94055287283911 87.620 24 Sr 0.32973021842977 0.75000000000000 0.05944712716089 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.324409090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.139941540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.186031440000001 Atomic positions (fractional): *1 B 0.16623881339366 0.75000000000000 0.82950358831949 10.811 > 1 2 B 0.83376118660634 0.25000000000000 0.17049641168051 10.811 > 2 3 B 0.33376118660634 0.25000000000000 0.32950358831949 10.811 > 3 4 B 0.66623881339366 0.75000000000000 0.67049641168051 10.811 > 4 *5 N 0.71460343452185 0.75000000000000 0.80135453033527 14.007 > 5 6 N 0.28539656547815 0.25000000000000 0.19864546966473 14.007 > 6 7 N 0.78539656547815 0.25000000000000 0.30135453033527 14.007 > 7 *8 N 0.12267849914294 0.75000000000000 0.96490798358037 14.007 > 8 9 N 0.62267849914294 0.75000000000000 0.53509201641963 14.007 > 9 10 N 0.37732150085706 0.25000000000000 0.46490798358037 14.007 > 10 11 N 0.87732150085706 0.25000000000000 0.03509201641963 14.007 > 11 12 N 0.21460343452185 0.75000000000000 0.69864546966473 14.007 > 12 *13 Cl 0.06256575089865 0.75000000000000 0.35605110801930 35.453 > 13 14 Cl 0.43743424910135 0.25000000000000 0.85605110801929 35.453 > 14 15 Cl 0.93743424910135 0.25000000000000 0.64394889198071 35.453 > 15 16 Cl 0.56256575089865 0.75000000000000 0.14394889198071 35.453 > 16 *17 Sr 0.58671437722379 0.25000000000000 0.38107076425397 87.620 > 17 18 Sr 0.08671437722378 0.25000000000000 0.11892923574603 87.620 > 18 19 Sr 0.91328562277621 0.75000000000000 0.88107076425397 87.620 > 19 20 Sr 0.41328562277622 0.75000000000000 0.61892923574603 87.620 > 20 *21 Sr 0.82973021842977 0.75000000000000 0.44055287283911 87.620 > 21 22 Sr 0.17026978157023 0.25000000000000 0.55944712716089 87.620 > 22 23 Sr 0.67026978157023 0.25000000000000 0.94055287283911 87.620 > 23 24 Sr 0.32973021842977 0.75000000000000 0.05944712716089 87.620 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.324409090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.419824620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.372062880000001 Atomic positions (fractional): *1 B 0.16623881339366 0.25000000000000 0.41475179415974 10.811 > 1 2 B 0.16623881339366 0.58333333333333 0.41475179415974 10.811 > 1 3 B 0.16623881339366 0.91666666666667 0.41475179415974 10.811 > 1 4 B 0.16623881339366 0.25000000000000 0.91475179415974 10.811 > 1 5 B 0.16623881339366 0.58333333333333 0.91475179415974 10.811 > 1 6 B 0.16623881339366 0.91666666666667 0.91475179415974 10.811 > 1 7 B 0.83376118660634 0.08333333333333 0.08524820584026 10.811 > 2 8 B 0.83376118660634 0.41666666666667 0.08524820584026 10.811 > 2 9 B 0.83376118660634 0.75000000000000 0.08524820584026 10.811 > 2 10 B 0.83376118660634 0.08333333333333 0.58524820584026 10.811 > 2 11 B 0.83376118660634 0.41666666666667 0.58524820584026 10.811 > 2 12 B 0.83376118660634 0.75000000000000 0.58524820584026 10.811 > 2 13 B 0.33376118660634 0.08333333333333 0.16475179415974 10.811 > 3 14 B 0.33376118660634 0.41666666666667 0.16475179415974 10.811 > 3 15 B 0.33376118660634 0.75000000000000 0.16475179415974 10.811 > 3 16 B 0.33376118660634 0.08333333333333 0.66475179415974 10.811 > 3 17 B 0.33376118660634 0.41666666666667 0.66475179415974 10.811 > 3 18 B 0.33376118660634 0.75000000000000 0.66475179415974 10.811 > 3 19 B 0.66623881339366 0.25000000000000 0.33524820584026 10.811 > 4 20 B 0.66623881339366 0.58333333333333 0.33524820584026 10.811 > 4 21 B 0.66623881339366 0.91666666666667 0.33524820584026 10.811 > 4 22 B 0.66623881339366 0.25000000000000 0.83524820584026 10.811 > 4 23 B 0.66623881339366 0.58333333333333 0.83524820584026 10.811 > 4 24 B 0.66623881339366 0.91666666666667 0.83524820584026 10.811 > 4 *25 N 0.71460343452185 0.25000000000000 0.40067726516763 14.007 > 5 26 N 0.71460343452185 0.58333333333333 0.40067726516763 14.007 > 5 27 N 0.71460343452185 0.91666666666667 0.40067726516763 14.007 > 5 28 N 0.71460343452185 0.25000000000000 0.90067726516763 14.007 > 5 29 N 0.71460343452185 0.58333333333333 0.90067726516763 14.007 > 5 30 N 0.71460343452185 0.91666666666667 0.90067726516763 14.007 > 5 31 N 0.28539656547815 0.08333333333333 0.09932273483237 14.007 > 6 32 N 0.28539656547815 0.41666666666667 0.09932273483237 14.007 > 6 33 N 0.28539656547815 0.75000000000000 0.09932273483237 14.007 > 6 34 N 0.28539656547815 0.08333333333333 0.59932273483237 14.007 > 6 35 N 0.28539656547815 0.41666666666667 0.59932273483237 14.007 > 6 36 N 0.28539656547815 0.75000000000000 0.59932273483237 14.007 > 6 37 N 0.78539656547815 0.08333333333333 0.15067726516763 14.007 > 7 38 N 0.78539656547815 0.41666666666667 0.15067726516763 14.007 > 7 39 N 0.78539656547815 0.75000000000000 0.15067726516763 14.007 > 7 40 N 0.78539656547815 0.08333333333333 0.65067726516763 14.007 > 7 41 N 0.78539656547815 0.41666666666667 0.65067726516763 14.007 > 7 42 N 0.78539656547815 0.75000000000000 0.65067726516763 14.007 > 7 *43 N 0.12267849914294 0.25000000000000 0.48245399179018 14.007 > 8 44 N 0.12267849914294 0.58333333333333 0.48245399179018 14.007 > 8 45 N 0.12267849914294 0.91666666666667 0.48245399179018 14.007 > 8 46 N 0.12267849914294 0.25000000000000 0.98245399179018 14.007 > 8 47 N 0.12267849914294 0.58333333333333 0.98245399179018 14.007 > 8 48 N 0.12267849914294 0.91666666666667 0.98245399179018 14.007 > 8 49 N 0.62267849914294 0.25000000000000 0.26754600820982 14.007 > 9 50 N 0.62267849914294 0.58333333333333 0.26754600820982 14.007 > 9 51 N 0.62267849914294 0.91666666666667 0.26754600820982 14.007 > 9 52 N 0.62267849914294 0.25000000000000 0.76754600820982 14.007 > 9 53 N 0.62267849914294 0.58333333333333 0.76754600820982 14.007 > 9 54 N 0.62267849914294 0.91666666666667 0.76754600820982 14.007 > 9 55 N 0.37732150085706 0.08333333333333 0.23245399179018 14.007 > 10 56 N 0.37732150085706 0.41666666666667 0.23245399179018 14.007 > 10 57 N 0.37732150085706 0.75000000000000 0.23245399179018 14.007 > 10 58 N 0.37732150085706 0.08333333333333 0.73245399179018 14.007 > 10 59 N 0.37732150085706 0.41666666666667 0.73245399179018 14.007 > 10 60 N 0.37732150085706 0.75000000000000 0.73245399179018 14.007 > 10 61 N 0.87732150085706 0.08333333333333 0.01754600820982 14.007 > 11 62 N 0.87732150085706 0.41666666666667 0.01754600820982 14.007 > 11 63 N 0.87732150085706 0.75000000000000 0.01754600820982 14.007 > 11 64 N 0.87732150085706 0.08333333333333 0.51754600820982 14.007 > 11 65 N 0.87732150085706 0.41666666666667 0.51754600820982 14.007 > 11 66 N 0.87732150085706 0.75000000000000 0.51754600820982 14.007 > 11 67 N 0.21460343452185 0.25000000000000 0.34932273483237 14.007 > 12 68 N 0.21460343452185 0.58333333333333 0.34932273483237 14.007 > 12 69 N 0.21460343452185 0.91666666666667 0.34932273483237 14.007 > 12 70 N 0.21460343452185 0.25000000000000 0.84932273483237 14.007 > 12 71 N 0.21460343452185 0.58333333333333 0.84932273483237 14.007 > 12 72 N 0.21460343452185 0.91666666666667 0.84932273483237 14.007 > 12 *73 Cl 0.06256575089865 0.25000000000000 0.17802555400965 35.453 > 13 74 Cl 0.06256575089865 0.58333333333333 0.17802555400965 35.453 > 13 75 Cl 0.06256575089865 0.91666666666667 0.17802555400965 35.453 > 13 76 Cl 0.06256575089865 0.25000000000000 0.67802555400965 35.453 > 13 77 Cl 0.06256575089865 0.58333333333333 0.67802555400965 35.453 > 13 78 Cl 0.06256575089865 0.91666666666667 0.67802555400965 35.453 > 13 79 Cl 0.43743424910135 0.08333333333333 0.42802555400965 35.453 > 14 80 Cl 0.43743424910135 0.41666666666667 0.42802555400965 35.453 > 14 81 Cl 0.43743424910135 0.75000000000000 0.42802555400965 35.453 > 14 82 Cl 0.43743424910135 0.08333333333333 0.92802555400965 35.453 > 14 83 Cl 0.43743424910135 0.41666666666667 0.92802555400965 35.453 > 14 84 Cl 0.43743424910135 0.75000000000000 0.92802555400965 35.453 > 14 85 Cl 0.93743424910135 0.08333333333333 0.32197444599035 35.453 > 15 86 Cl 0.93743424910135 0.41666666666667 0.32197444599035 35.453 > 15 87 Cl 0.93743424910135 0.75000000000000 0.32197444599035 35.453 > 15 88 Cl 0.93743424910135 0.08333333333333 0.82197444599035 35.453 > 15 89 Cl 0.93743424910135 0.41666666666667 0.82197444599035 35.453 > 15 90 Cl 0.93743424910135 0.75000000000000 0.82197444599035 35.453 > 15 91 Cl 0.56256575089865 0.25000000000000 0.07197444599035 35.453 > 16 92 Cl 0.56256575089865 0.58333333333333 0.07197444599035 35.453 > 16 93 Cl 0.56256575089865 0.91666666666667 0.07197444599035 35.453 > 16 94 Cl 0.56256575089865 0.25000000000000 0.57197444599035 35.453 > 16 95 Cl 0.56256575089865 0.58333333333333 0.57197444599035 35.453 > 16 96 Cl 0.56256575089865 0.91666666666667 0.57197444599035 35.453 > 16 *97 Sr 0.58671437722379 0.08333333333333 0.19053538212698 87.620 > 17 98 Sr 0.58671437722379 0.41666666666667 0.19053538212698 87.620 > 17 99 Sr 0.58671437722379 0.75000000000000 0.19053538212698 87.620 > 17 100 Sr 0.58671437722379 0.08333333333333 0.69053538212698 87.620 > 17 101 Sr 0.58671437722379 0.41666666666667 0.69053538212698 87.620 > 17 102 Sr 0.58671437722379 0.75000000000000 0.69053538212698 87.620 > 17 103 Sr 0.08671437722378 0.08333333333333 0.05946461787302 87.620 > 18 104 Sr 0.08671437722378 0.41666666666667 0.05946461787302 87.620 > 18 105 Sr 0.08671437722378 0.75000000000000 0.05946461787302 87.620 > 18 106 Sr 0.08671437722378 0.08333333333333 0.55946461787302 87.620 > 18 107 Sr 0.08671437722378 0.41666666666667 0.55946461787302 87.620 > 18 108 Sr 0.08671437722378 0.75000000000000 0.55946461787302 87.620 > 18 109 Sr 0.91328562277621 0.25000000000000 0.44053538212698 87.620 > 19 110 Sr 0.91328562277621 0.58333333333333 0.44053538212698 87.620 > 19 111 Sr 0.91328562277621 0.91666666666667 0.44053538212698 87.620 > 19 112 Sr 0.91328562277621 0.25000000000000 0.94053538212698 87.620 > 19 113 Sr 0.91328562277621 0.58333333333333 0.94053538212698 87.620 > 19 114 Sr 0.91328562277621 0.91666666666667 0.94053538212698 87.620 > 19 115 Sr 0.41328562277622 0.25000000000000 0.30946461787302 87.620 > 20 116 Sr 0.41328562277622 0.58333333333333 0.30946461787302 87.620 > 20 117 Sr 0.41328562277622 0.91666666666667 0.30946461787302 87.620 > 20 118 Sr 0.41328562277622 0.25000000000000 0.80946461787302 87.620 > 20 119 Sr 0.41328562277622 0.58333333333333 0.80946461787302 87.620 > 20 120 Sr 0.41328562277622 0.91666666666667 0.80946461787302 87.620 > 20 *121 Sr 0.82973021842977 0.25000000000000 0.22027643641956 87.620 > 21 122 Sr 0.82973021842977 0.58333333333333 0.22027643641956 87.620 > 21 123 Sr 0.82973021842977 0.91666666666667 0.22027643641956 87.620 > 21 124 Sr 0.82973021842977 0.25000000000000 0.72027643641956 87.620 > 21 125 Sr 0.82973021842977 0.58333333333333 0.72027643641956 87.620 > 21 126 Sr 0.82973021842977 0.91666666666667 0.72027643641956 87.620 > 21 127 Sr 0.17026978157023 0.08333333333333 0.27972356358044 87.620 > 22 128 Sr 0.17026978157023 0.41666666666667 0.27972356358044 87.620 > 22 129 Sr 0.17026978157023 0.75000000000000 0.27972356358044 87.620 > 22 130 Sr 0.17026978157023 0.08333333333333 0.77972356358044 87.620 > 22 131 Sr 0.17026978157023 0.41666666666667 0.77972356358044 87.620 > 22 132 Sr 0.17026978157023 0.75000000000000 0.77972356358044 87.620 > 22 133 Sr 0.67026978157023 0.08333333333333 0.47027643641956 87.620 > 23 134 Sr 0.67026978157023 0.41666666666667 0.47027643641956 87.620 > 23 135 Sr 0.67026978157023 0.75000000000000 0.47027643641956 87.620 > 23 136 Sr 0.67026978157023 0.08333333333333 0.97027643641956 87.620 > 23 137 Sr 0.67026978157023 0.41666666666667 0.97027643641956 87.620 > 23 138 Sr 0.67026978157023 0.75000000000000 0.97027643641956 87.620 > 23 139 Sr 0.32973021842977 0.25000000000000 0.02972356358044 87.620 > 24 140 Sr 0.32973021842977 0.58333333333333 0.02972356358044 87.620 > 24 141 Sr 0.32973021842977 0.91666666666667 0.02972356358044 87.620 > 24 142 Sr 0.32973021842977 0.25000000000000 0.52972356358044 87.620 > 24 143 Sr 0.32973021842977 0.58333333333333 0.52972356358044 87.620 > 24 144 Sr 0.32973021842977 0.91666666666667 0.52972356358044 87.620 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5610681 0.0000000 0.0000000 0.0000000 3.4801354 0.0000000 0.0000000 0.0000000 3.9849513 -------------------------- Born effective charges -------------------------- 1 B 0.2819262 0.0000000 -1.3702543 0.0000000 -0.2244664 0.0000000 -1.4394134 0.0000000 2.8045559 2 B 0.2819262 0.0000000 -1.3702543 0.0000000 -0.2244664 0.0000000 -1.4394134 0.0000000 2.8045559 3 B 0.2819262 0.0000000 1.3702543 0.0000000 -0.2244664 0.0000000 1.4394134 0.0000000 2.8045559 4 B 0.2819262 0.0000000 1.3702543 0.0000000 -0.2244664 0.0000000 1.4394134 0.0000000 2.8045559 5 N -1.9256317 0.0000000 -0.6172938 0.0000000 -1.7739824 0.0000000 -0.8204080 0.0000000 -2.9960996 6 N -1.9256317 0.0000000 -0.6172938 0.0000000 -1.7739824 0.0000000 -0.8204080 0.0000000 -2.9960996 7 N -1.9256317 0.0000000 0.6172938 0.0000000 -1.7739824 0.0000000 0.8204080 0.0000000 -2.9960996 8 N -2.0666552 0.0000000 0.5468319 0.0000000 -1.7009728 0.0000000 0.5221802 0.0000000 -3.1076608 9 N -2.0666552 0.0000000 -0.5468319 0.0000000 -1.7009728 0.0000000 -0.5221802 0.0000000 -3.1076608 10 N -2.0666552 0.0000000 -0.5468319 0.0000000 -1.7009728 0.0000000 -0.5221802 0.0000000 -3.1076608 11 N -2.0666552 0.0000000 0.5468319 0.0000000 -1.7009728 0.0000000 0.5221802 0.0000000 -3.1076608 12 N -1.9256317 0.0000000 0.6172938 0.0000000 -1.7739824 0.0000000 0.8204080 0.0000000 -2.9960996 13 Cl -1.1886449 0.0000000 0.0228619 0.0000000 -1.3992946 0.0000000 -0.1058359 0.0000000 -1.3361223 14 Cl -1.1886449 0.0000000 -0.0228619 0.0000000 -1.3992946 0.0000000 0.1058359 0.0000000 -1.3361223 15 Cl -1.1886449 0.0000000 0.0228619 0.0000000 -1.3992946 0.0000000 -0.1058359 0.0000000 -1.3361223 16 Cl -1.1886449 0.0000000 -0.0228619 0.0000000 -1.3992946 0.0000000 0.1058359 0.0000000 -1.3361223 17 Sr 2.6299880 0.0000000 -0.0590816 0.0000000 2.5184106 0.0000000 -0.2210572 0.0000000 2.2956173 18 Sr 2.6299880 0.0000000 0.0590816 0.0000000 2.5184106 0.0000000 0.2210572 0.0000000 2.2956173 19 Sr 2.6299880 0.0000000 0.0590816 0.0000000 2.5184106 0.0000000 0.2210572 0.0000000 2.2956173 20 Sr 2.6299880 0.0000000 -0.0590816 0.0000000 2.5184106 0.0000000 -0.2210572 0.0000000 2.2956173 21 Sr 2.2690176 0.0000000 -0.1068473 0.0000000 2.5803056 0.0000000 -0.0562846 0.0000000 2.3397095 22 Sr 2.2690176 0.0000000 -0.1068473 0.0000000 2.5803056 0.0000000 -0.0562846 0.0000000 2.3397095 23 Sr 2.2690176 0.0000000 0.1068473 0.0000000 2.5803056 0.0000000 0.0562846 0.0000000 2.3397095 24 Sr 2.2690176 0.0000000 0.1068473 0.0000000 2.5803056 0.0000000 0.0562846 0.0000000 2.3397095 ---------------------------------------------------------------------------- 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: 0.860 Solver_block: 300 / 400 - Time: 0.808 Solver_block: 400 / 400 - Time: 0.809 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.540 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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 05:19:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:19:53]------------------------- 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 12.324409090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.139941540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.186031440000001 Atomic positions (fractional): 1 B 0.16623881339366 0.75000000000000 0.82950358831949 10.811 2 B 0.83376118660634 0.25000000000000 0.17049641168051 10.811 3 B 0.33376118660634 0.25000000000000 0.32950358831949 10.811 4 B 0.66623881339366 0.75000000000000 0.67049641168051 10.811 5 N 0.71460343452185 0.75000000000000 0.80135453033527 14.007 6 N 0.28539656547815 0.25000000000000 0.19864546966473 14.007 7 N 0.78539656547815 0.25000000000000 0.30135453033527 14.007 8 N 0.12267849914294 0.75000000000000 0.96490798358037 14.007 9 N 0.62267849914294 0.75000000000000 0.53509201641963 14.007 10 N 0.37732150085706 0.25000000000000 0.46490798358037 14.007 11 N 0.87732150085706 0.25000000000000 0.03509201641963 14.007 12 N 0.21460343452185 0.75000000000000 0.69864546966473 14.007 13 Cl 0.06256575089865 0.75000000000000 0.35605110801930 35.453 14 Cl 0.43743424910135 0.25000000000000 0.85605110801929 35.453 15 Cl 0.93743424910135 0.25000000000000 0.64394889198071 35.453 16 Cl 0.56256575089865 0.75000000000000 0.14394889198071 35.453 17 Sr 0.58671437722379 0.25000000000000 0.38107076425397 87.620 18 Sr 0.08671437722378 0.25000000000000 0.11892923574603 87.620 19 Sr 0.91328562277621 0.75000000000000 0.88107076425397 87.620 20 Sr 0.41328562277622 0.75000000000000 0.61892923574603 87.620 21 Sr 0.82973021842977 0.75000000000000 0.44055287283911 87.620 22 Sr 0.17026978157023 0.25000000000000 0.55944712716089 87.620 23 Sr 0.67026978157023 0.25000000000000 0.94055287283911 87.620 24 Sr 0.32973021842977 0.75000000000000 0.05944712716089 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.324409090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.419824620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.372062880000001 Atomic positions (fractional): 1 B 0.16623881339366 0.25000000000000 0.41475179415974 10.811 > 1 2 B 0.16623881339366 0.58333333333333 0.41475179415974 10.811 > 1 3 B 0.16623881339366 0.91666666666667 0.41475179415974 10.811 > 1 4 B 0.16623881339366 0.25000000000000 0.91475179415974 10.811 > 1 5 B 0.16623881339366 0.58333333333333 0.91475179415974 10.811 > 1 6 B 0.16623881339366 0.91666666666667 0.91475179415974 10.811 > 1 7 B 0.83376118660634 0.08333333333333 0.08524820584026 10.811 > 7 8 B 0.83376118660634 0.41666666666667 0.08524820584026 10.811 > 7 9 B 0.83376118660634 0.75000000000000 0.08524820584026 10.811 > 7 10 B 0.83376118660634 0.08333333333333 0.58524820584026 10.811 > 7 11 B 0.83376118660634 0.41666666666667 0.58524820584026 10.811 > 7 12 B 0.83376118660634 0.75000000000000 0.58524820584026 10.811 > 7 13 B 0.33376118660634 0.08333333333333 0.16475179415974 10.811 > 13 14 B 0.33376118660634 0.41666666666667 0.16475179415974 10.811 > 13 15 B 0.33376118660634 0.75000000000000 0.16475179415974 10.811 > 13 16 B 0.33376118660634 0.08333333333333 0.66475179415974 10.811 > 13 17 B 0.33376118660634 0.41666666666667 0.66475179415974 10.811 > 13 18 B 0.33376118660634 0.75000000000000 0.66475179415974 10.811 > 13 19 B 0.66623881339366 0.25000000000000 0.33524820584026 10.811 > 19 20 B 0.66623881339366 0.58333333333333 0.33524820584026 10.811 > 19 21 B 0.66623881339366 0.91666666666667 0.33524820584026 10.811 > 19 22 B 0.66623881339366 0.25000000000000 0.83524820584026 10.811 > 19 23 B 0.66623881339366 0.58333333333333 0.83524820584026 10.811 > 19 24 B 0.66623881339366 0.91666666666667 0.83524820584026 10.811 > 19 25 N 0.71460343452185 0.25000000000000 0.40067726516763 14.007 > 25 26 N 0.71460343452185 0.58333333333333 0.40067726516763 14.007 > 25 27 N 0.71460343452185 0.91666666666667 0.40067726516763 14.007 > 25 28 N 0.71460343452185 0.25000000000000 0.90067726516763 14.007 > 25 29 N 0.71460343452185 0.58333333333333 0.90067726516763 14.007 > 25 30 N 0.71460343452185 0.91666666666667 0.90067726516763 14.007 > 25 31 N 0.28539656547815 0.08333333333333 0.09932273483237 14.007 > 31 32 N 0.28539656547815 0.41666666666667 0.09932273483237 14.007 > 31 33 N 0.28539656547815 0.75000000000000 0.09932273483237 14.007 > 31 34 N 0.28539656547815 0.08333333333333 0.59932273483237 14.007 > 31 35 N 0.28539656547815 0.41666666666667 0.59932273483237 14.007 > 31 36 N 0.28539656547815 0.75000000000000 0.59932273483237 14.007 > 31 37 N 0.78539656547815 0.08333333333333 0.15067726516763 14.007 > 37 38 N 0.78539656547815 0.41666666666667 0.15067726516763 14.007 > 37 39 N 0.78539656547815 0.75000000000000 0.15067726516763 14.007 > 37 40 N 0.78539656547815 0.08333333333333 0.65067726516763 14.007 > 37 41 N 0.78539656547815 0.41666666666667 0.65067726516763 14.007 > 37 42 N 0.78539656547815 0.75000000000000 0.65067726516763 14.007 > 37 43 N 0.12267849914294 0.25000000000000 0.48245399179018 14.007 > 43 44 N 0.12267849914294 0.58333333333333 0.48245399179018 14.007 > 43 45 N 0.12267849914294 0.91666666666667 0.48245399179018 14.007 > 43 46 N 0.12267849914294 0.25000000000000 0.98245399179018 14.007 > 43 47 N 0.12267849914294 0.58333333333333 0.98245399179018 14.007 > 43 48 N 0.12267849914294 0.91666666666667 0.98245399179018 14.007 > 43 49 N 0.62267849914294 0.25000000000000 0.26754600820982 14.007 > 49 50 N 0.62267849914294 0.58333333333333 0.26754600820982 14.007 > 49 51 N 0.62267849914294 0.91666666666667 0.26754600820982 14.007 > 49 52 N 0.62267849914294 0.25000000000000 0.76754600820982 14.007 > 49 53 N 0.62267849914294 0.58333333333333 0.76754600820982 14.007 > 49 54 N 0.62267849914294 0.91666666666667 0.76754600820982 14.007 > 49 55 N 0.37732150085706 0.08333333333333 0.23245399179018 14.007 > 55 56 N 0.37732150085706 0.41666666666667 0.23245399179018 14.007 > 55 57 N 0.37732150085706 0.75000000000000 0.23245399179018 14.007 > 55 58 N 0.37732150085706 0.08333333333333 0.73245399179018 14.007 > 55 59 N 0.37732150085706 0.41666666666667 0.73245399179018 14.007 > 55 60 N 0.37732150085706 0.75000000000000 0.73245399179018 14.007 > 55 61 N 0.87732150085706 0.08333333333333 0.01754600820982 14.007 > 61 62 N 0.87732150085706 0.41666666666667 0.01754600820982 14.007 > 61 63 N 0.87732150085706 0.75000000000000 0.01754600820982 14.007 > 61 64 N 0.87732150085706 0.08333333333333 0.51754600820982 14.007 > 61 65 N 0.87732150085706 0.41666666666667 0.51754600820982 14.007 > 61 66 N 0.87732150085706 0.75000000000000 0.51754600820982 14.007 > 61 67 N 0.21460343452185 0.25000000000000 0.34932273483237 14.007 > 67 68 N 0.21460343452185 0.58333333333333 0.34932273483237 14.007 > 67 69 N 0.21460343452185 0.91666666666667 0.34932273483237 14.007 > 67 70 N 0.21460343452185 0.25000000000000 0.84932273483237 14.007 > 67 71 N 0.21460343452185 0.58333333333333 0.84932273483237 14.007 > 67 72 N 0.21460343452185 0.91666666666667 0.84932273483237 14.007 > 67 73 Cl 0.06256575089865 0.25000000000000 0.17802555400965 35.453 > 73 74 Cl 0.06256575089865 0.58333333333333 0.17802555400965 35.453 > 73 75 Cl 0.06256575089865 0.91666666666667 0.17802555400965 35.453 > 73 76 Cl 0.06256575089865 0.25000000000000 0.67802555400965 35.453 > 73 77 Cl 0.06256575089865 0.58333333333333 0.67802555400965 35.453 > 73 78 Cl 0.06256575089865 0.91666666666667 0.67802555400965 35.453 > 73 79 Cl 0.43743424910135 0.08333333333333 0.42802555400965 35.453 > 79 80 Cl 0.43743424910135 0.41666666666667 0.42802555400965 35.453 > 79 81 Cl 0.43743424910135 0.75000000000000 0.42802555400965 35.453 > 79 82 Cl 0.43743424910135 0.08333333333333 0.92802555400965 35.453 > 79 83 Cl 0.43743424910135 0.41666666666667 0.92802555400965 35.453 > 79 84 Cl 0.43743424910135 0.75000000000000 0.92802555400965 35.453 > 79 85 Cl 0.93743424910135 0.08333333333333 0.32197444599035 35.453 > 85 86 Cl 0.93743424910135 0.41666666666667 0.32197444599035 35.453 > 85 87 Cl 0.93743424910135 0.75000000000000 0.32197444599035 35.453 > 85 88 Cl 0.93743424910135 0.08333333333333 0.82197444599035 35.453 > 85 89 Cl 0.93743424910135 0.41666666666667 0.82197444599035 35.453 > 85 90 Cl 0.93743424910135 0.75000000000000 0.82197444599035 35.453 > 85 91 Cl 0.56256575089865 0.25000000000000 0.07197444599035 35.453 > 91 92 Cl 0.56256575089865 0.58333333333333 0.07197444599035 35.453 > 91 93 Cl 0.56256575089865 0.91666666666667 0.07197444599035 35.453 > 91 94 Cl 0.56256575089865 0.25000000000000 0.57197444599035 35.453 > 91 95 Cl 0.56256575089865 0.58333333333333 0.57197444599035 35.453 > 91 96 Cl 0.56256575089865 0.91666666666667 0.57197444599035 35.453 > 91 97 Sr 0.58671437722379 0.08333333333333 0.19053538212698 87.620 > 97 98 Sr 0.58671437722379 0.41666666666667 0.19053538212698 87.620 > 97 99 Sr 0.58671437722379 0.75000000000000 0.19053538212698 87.620 > 97 100 Sr 0.58671437722379 0.08333333333333 0.69053538212698 87.620 > 97 101 Sr 0.58671437722379 0.41666666666667 0.69053538212698 87.620 > 97 102 Sr 0.58671437722379 0.75000000000000 0.69053538212698 87.620 > 97 103 Sr 0.08671437722378 0.08333333333333 0.05946461787302 87.620 > 103 104 Sr 0.08671437722378 0.41666666666667 0.05946461787302 87.620 > 103 105 Sr 0.08671437722378 0.75000000000000 0.05946461787302 87.620 > 103 106 Sr 0.08671437722378 0.08333333333333 0.55946461787302 87.620 > 103 107 Sr 0.08671437722378 0.41666666666667 0.55946461787302 87.620 > 103 108 Sr 0.08671437722378 0.75000000000000 0.55946461787302 87.620 > 103 109 Sr 0.91328562277621 0.25000000000000 0.44053538212698 87.620 > 109 110 Sr 0.91328562277621 0.58333333333333 0.44053538212698 87.620 > 109 111 Sr 0.91328562277621 0.91666666666667 0.44053538212698 87.620 > 109 112 Sr 0.91328562277621 0.25000000000000 0.94053538212698 87.620 > 109 113 Sr 0.91328562277621 0.58333333333333 0.94053538212698 87.620 > 109 114 Sr 0.91328562277621 0.91666666666667 0.94053538212698 87.620 > 109 115 Sr 0.41328562277622 0.25000000000000 0.30946461787302 87.620 > 115 116 Sr 0.41328562277622 0.58333333333333 0.30946461787302 87.620 > 115 117 Sr 0.41328562277622 0.91666666666667 0.30946461787302 87.620 > 115 118 Sr 0.41328562277622 0.25000000000000 0.80946461787302 87.620 > 115 119 Sr 0.41328562277622 0.58333333333333 0.80946461787302 87.620 > 115 120 Sr 0.41328562277622 0.91666666666667 0.80946461787302 87.620 > 115 121 Sr 0.82973021842977 0.25000000000000 0.22027643641956 87.620 > 121 122 Sr 0.82973021842977 0.58333333333333 0.22027643641956 87.620 > 121 123 Sr 0.82973021842977 0.91666666666667 0.22027643641956 87.620 > 121 124 Sr 0.82973021842977 0.25000000000000 0.72027643641956 87.620 > 121 125 Sr 0.82973021842977 0.58333333333333 0.72027643641956 87.620 > 121 126 Sr 0.82973021842977 0.91666666666667 0.72027643641956 87.620 > 121 127 Sr 0.17026978157023 0.08333333333333 0.27972356358044 87.620 > 127 128 Sr 0.17026978157023 0.41666666666667 0.27972356358044 87.620 > 127 129 Sr 0.17026978157023 0.75000000000000 0.27972356358044 87.620 > 127 130 Sr 0.17026978157023 0.08333333333333 0.77972356358044 87.620 > 127 131 Sr 0.17026978157023 0.41666666666667 0.77972356358044 87.620 > 127 132 Sr 0.17026978157023 0.75000000000000 0.77972356358044 87.620 > 127 133 Sr 0.67026978157023 0.08333333333333 0.47027643641956 87.620 > 133 134 Sr 0.67026978157023 0.41666666666667 0.47027643641956 87.620 > 133 135 Sr 0.67026978157023 0.75000000000000 0.47027643641956 87.620 > 133 136 Sr 0.67026978157023 0.08333333333333 0.97027643641956 87.620 > 133 137 Sr 0.67026978157023 0.41666666666667 0.97027643641956 87.620 > 133 138 Sr 0.67026978157023 0.75000000000000 0.97027643641956 87.620 > 133 139 Sr 0.32973021842977 0.25000000000000 0.02972356358044 87.620 > 139 140 Sr 0.32973021842977 0.58333333333333 0.02972356358044 87.620 > 139 141 Sr 0.32973021842977 0.91666666666667 0.02972356358044 87.620 > 139 142 Sr 0.32973021842977 0.25000000000000 0.52972356358044 87.620 > 139 143 Sr 0.32973021842977 0.58333333333333 0.52972356358044 87.620 > 139 144 Sr 0.32973021842977 0.91666666666667 0.52972356358044 87.620 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5610681 0.0000000 0.0000000 0.0000000 3.4801354 0.0000000 0.0000000 0.0000000 3.9849513 -------------------------- Born effective charges -------------------------- 1 B 0.2819262 0.0000000 -1.3702543 0.0000000 -0.2244664 0.0000000 -1.4394134 0.0000000 2.8045559 2 B 0.2819262 0.0000000 -1.3702543 0.0000000 -0.2244664 0.0000000 -1.4394134 0.0000000 2.8045559 3 B 0.2819262 0.0000000 1.3702543 0.0000000 -0.2244664 0.0000000 1.4394134 0.0000000 2.8045559 4 B 0.2819262 0.0000000 1.3702543 0.0000000 -0.2244664 0.0000000 1.4394134 0.0000000 2.8045559 5 N -1.9256317 0.0000000 -0.6172938 0.0000000 -1.7739824 0.0000000 -0.8204080 0.0000000 -2.9960996 6 N -1.9256317 0.0000000 -0.6172938 0.0000000 -1.7739824 0.0000000 -0.8204080 0.0000000 -2.9960996 7 N -1.9256317 0.0000000 0.6172938 0.0000000 -1.7739824 0.0000000 0.8204080 0.0000000 -2.9960996 8 N -2.0666552 0.0000000 0.5468319 0.0000000 -1.7009728 0.0000000 0.5221802 0.0000000 -3.1076608 9 N -2.0666552 0.0000000 -0.5468319 0.0000000 -1.7009728 0.0000000 -0.5221802 0.0000000 -3.1076608 10 N -2.0666552 0.0000000 -0.5468319 0.0000000 -1.7009728 0.0000000 -0.5221802 0.0000000 -3.1076608 11 N -2.0666552 0.0000000 0.5468319 0.0000000 -1.7009728 0.0000000 0.5221802 0.0000000 -3.1076608 12 N -1.9256317 0.0000000 0.6172938 0.0000000 -1.7739824 0.0000000 0.8204080 0.0000000 -2.9960996 13 Cl -1.1886449 0.0000000 0.0228619 0.0000000 -1.3992946 0.0000000 -0.1058359 0.0000000 -1.3361223 14 Cl -1.1886449 0.0000000 -0.0228619 0.0000000 -1.3992946 0.0000000 0.1058359 0.0000000 -1.3361223 15 Cl -1.1886449 0.0000000 0.0228619 0.0000000 -1.3992946 0.0000000 -0.1058359 0.0000000 -1.3361223 16 Cl -1.1886449 0.0000000 -0.0228619 0.0000000 -1.3992946 0.0000000 0.1058359 0.0000000 -1.3361223 17 Sr 2.6299880 0.0000000 -0.0590816 0.0000000 2.5184106 0.0000000 -0.2210572 0.0000000 2.2956173 18 Sr 2.6299880 0.0000000 0.0590816 0.0000000 2.5184106 0.0000000 0.2210572 0.0000000 2.2956173 19 Sr 2.6299880 0.0000000 0.0590816 0.0000000 2.5184106 0.0000000 0.2210572 0.0000000 2.2956173 20 Sr 2.6299880 0.0000000 -0.0590816 0.0000000 2.5184106 0.0000000 -0.2210572 0.0000000 2.2956173 21 Sr 2.2690176 0.0000000 -0.1068473 0.0000000 2.5803056 0.0000000 -0.0562846 0.0000000 2.3397095 22 Sr 2.2690176 0.0000000 -0.1068473 0.0000000 2.5803056 0.0000000 -0.0562846 0.0000000 2.3397095 23 Sr 2.2690176 0.0000000 0.1068473 0.0000000 2.5803056 0.0000000 0.0562846 0.0000000 2.3397095 24 Sr 2.2690176 0.0000000 0.1068473 0.0000000 2.5803056 0.0000000 0.0562846 0.0000000 2.3397095 ---------------------------------------------------------------------------- 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 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:20:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:20:26]------------------------- 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 12.324409090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.139941540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.186031440000001 Atomic positions (fractional): 1 B 0.16623881339366 0.75000000000000 0.82950358831949 10.811 2 B 0.83376118660634 0.25000000000000 0.17049641168051 10.811 3 B 0.33376118660634 0.25000000000000 0.32950358831949 10.811 4 B 0.66623881339366 0.75000000000000 0.67049641168051 10.811 5 N 0.71460343452185 0.75000000000000 0.80135453033527 14.007 6 N 0.28539656547815 0.25000000000000 0.19864546966473 14.007 7 N 0.78539656547815 0.25000000000000 0.30135453033527 14.007 8 N 0.12267849914294 0.75000000000000 0.96490798358037 14.007 9 N 0.62267849914294 0.75000000000000 0.53509201641963 14.007 10 N 0.37732150085706 0.25000000000000 0.46490798358037 14.007 11 N 0.87732150085706 0.25000000000000 0.03509201641963 14.007 12 N 0.21460343452185 0.75000000000000 0.69864546966473 14.007 13 Cl 0.06256575089865 0.75000000000000 0.35605110801930 35.453 14 Cl 0.43743424910135 0.25000000000000 0.85605110801929 35.453 15 Cl 0.93743424910135 0.25000000000000 0.64394889198071 35.453 16 Cl 0.56256575089865 0.75000000000000 0.14394889198071 35.453 17 Sr 0.58671437722379 0.25000000000000 0.38107076425397 87.620 18 Sr 0.08671437722378 0.25000000000000 0.11892923574603 87.620 19 Sr 0.91328562277621 0.75000000000000 0.88107076425397 87.620 20 Sr 0.41328562277622 0.75000000000000 0.61892923574603 87.620 21 Sr 0.82973021842977 0.75000000000000 0.44055287283911 87.620 22 Sr 0.17026978157023 0.25000000000000 0.55944712716089 87.620 23 Sr 0.67026978157023 0.25000000000000 0.94055287283911 87.620 24 Sr 0.32973021842977 0.75000000000000 0.05944712716089 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.324409090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.419824620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.372062880000001 Atomic positions (fractional): 1 B 0.16623881339366 0.25000000000000 0.41475179415974 10.811 > 1 2 B 0.16623881339366 0.58333333333333 0.41475179415974 10.811 > 1 3 B 0.16623881339366 0.91666666666667 0.41475179415974 10.811 > 1 4 B 0.16623881339366 0.25000000000000 0.91475179415974 10.811 > 1 5 B 0.16623881339366 0.58333333333333 0.91475179415974 10.811 > 1 6 B 0.16623881339366 0.91666666666667 0.91475179415974 10.811 > 1 7 B 0.83376118660634 0.08333333333333 0.08524820584026 10.811 > 7 8 B 0.83376118660634 0.41666666666667 0.08524820584026 10.811 > 7 9 B 0.83376118660634 0.75000000000000 0.08524820584026 10.811 > 7 10 B 0.83376118660634 0.08333333333333 0.58524820584026 10.811 > 7 11 B 0.83376118660634 0.41666666666667 0.58524820584026 10.811 > 7 12 B 0.83376118660634 0.75000000000000 0.58524820584026 10.811 > 7 13 B 0.33376118660634 0.08333333333333 0.16475179415974 10.811 > 13 14 B 0.33376118660634 0.41666666666667 0.16475179415974 10.811 > 13 15 B 0.33376118660634 0.75000000000000 0.16475179415974 10.811 > 13 16 B 0.33376118660634 0.08333333333333 0.66475179415974 10.811 > 13 17 B 0.33376118660634 0.41666666666667 0.66475179415974 10.811 > 13 18 B 0.33376118660634 0.75000000000000 0.66475179415974 10.811 > 13 19 B 0.66623881339366 0.25000000000000 0.33524820584026 10.811 > 19 20 B 0.66623881339366 0.58333333333333 0.33524820584026 10.811 > 19 21 B 0.66623881339366 0.91666666666667 0.33524820584026 10.811 > 19 22 B 0.66623881339366 0.25000000000000 0.83524820584026 10.811 > 19 23 B 0.66623881339366 0.58333333333333 0.83524820584026 10.811 > 19 24 B 0.66623881339366 0.91666666666667 0.83524820584026 10.811 > 19 25 N 0.71460343452185 0.25000000000000 0.40067726516763 14.007 > 25 26 N 0.71460343452185 0.58333333333333 0.40067726516763 14.007 > 25 27 N 0.71460343452185 0.91666666666667 0.40067726516763 14.007 > 25 28 N 0.71460343452185 0.25000000000000 0.90067726516763 14.007 > 25 29 N 0.71460343452185 0.58333333333333 0.90067726516763 14.007 > 25 30 N 0.71460343452185 0.91666666666667 0.90067726516763 14.007 > 25 31 N 0.28539656547815 0.08333333333333 0.09932273483237 14.007 > 31 32 N 0.28539656547815 0.41666666666667 0.09932273483237 14.007 > 31 33 N 0.28539656547815 0.75000000000000 0.09932273483237 14.007 > 31 34 N 0.28539656547815 0.08333333333333 0.59932273483237 14.007 > 31 35 N 0.28539656547815 0.41666666666667 0.59932273483237 14.007 > 31 36 N 0.28539656547815 0.75000000000000 0.59932273483237 14.007 > 31 37 N 0.78539656547815 0.08333333333333 0.15067726516763 14.007 > 37 38 N 0.78539656547815 0.41666666666667 0.15067726516763 14.007 > 37 39 N 0.78539656547815 0.75000000000000 0.15067726516763 14.007 > 37 40 N 0.78539656547815 0.08333333333333 0.65067726516763 14.007 > 37 41 N 0.78539656547815 0.41666666666667 0.65067726516763 14.007 > 37 42 N 0.78539656547815 0.75000000000000 0.65067726516763 14.007 > 37 43 N 0.12267849914294 0.25000000000000 0.48245399179018 14.007 > 43 44 N 0.12267849914294 0.58333333333333 0.48245399179018 14.007 > 43 45 N 0.12267849914294 0.91666666666667 0.48245399179018 14.007 > 43 46 N 0.12267849914294 0.25000000000000 0.98245399179018 14.007 > 43 47 N 0.12267849914294 0.58333333333333 0.98245399179018 14.007 > 43 48 N 0.12267849914294 0.91666666666667 0.98245399179018 14.007 > 43 49 N 0.62267849914294 0.25000000000000 0.26754600820982 14.007 > 49 50 N 0.62267849914294 0.58333333333333 0.26754600820982 14.007 > 49 51 N 0.62267849914294 0.91666666666667 0.26754600820982 14.007 > 49 52 N 0.62267849914294 0.25000000000000 0.76754600820982 14.007 > 49 53 N 0.62267849914294 0.58333333333333 0.76754600820982 14.007 > 49 54 N 0.62267849914294 0.91666666666667 0.76754600820982 14.007 > 49 55 N 0.37732150085706 0.08333333333333 0.23245399179018 14.007 > 55 56 N 0.37732150085706 0.41666666666667 0.23245399179018 14.007 > 55 57 N 0.37732150085706 0.75000000000000 0.23245399179018 14.007 > 55 58 N 0.37732150085706 0.08333333333333 0.73245399179018 14.007 > 55 59 N 0.37732150085706 0.41666666666667 0.73245399179018 14.007 > 55 60 N 0.37732150085706 0.75000000000000 0.73245399179018 14.007 > 55 61 N 0.87732150085706 0.08333333333333 0.01754600820982 14.007 > 61 62 N 0.87732150085706 0.41666666666667 0.01754600820982 14.007 > 61 63 N 0.87732150085706 0.75000000000000 0.01754600820982 14.007 > 61 64 N 0.87732150085706 0.08333333333333 0.51754600820982 14.007 > 61 65 N 0.87732150085706 0.41666666666667 0.51754600820982 14.007 > 61 66 N 0.87732150085706 0.75000000000000 0.51754600820982 14.007 > 61 67 N 0.21460343452185 0.25000000000000 0.34932273483237 14.007 > 67 68 N 0.21460343452185 0.58333333333333 0.34932273483237 14.007 > 67 69 N 0.21460343452185 0.91666666666667 0.34932273483237 14.007 > 67 70 N 0.21460343452185 0.25000000000000 0.84932273483237 14.007 > 67 71 N 0.21460343452185 0.58333333333333 0.84932273483237 14.007 > 67 72 N 0.21460343452185 0.91666666666667 0.84932273483237 14.007 > 67 73 Cl 0.06256575089865 0.25000000000000 0.17802555400965 35.453 > 73 74 Cl 0.06256575089865 0.58333333333333 0.17802555400965 35.453 > 73 75 Cl 0.06256575089865 0.91666666666667 0.17802555400965 35.453 > 73 76 Cl 0.06256575089865 0.25000000000000 0.67802555400965 35.453 > 73 77 Cl 0.06256575089865 0.58333333333333 0.67802555400965 35.453 > 73 78 Cl 0.06256575089865 0.91666666666667 0.67802555400965 35.453 > 73 79 Cl 0.43743424910135 0.08333333333333 0.42802555400965 35.453 > 79 80 Cl 0.43743424910135 0.41666666666667 0.42802555400965 35.453 > 79 81 Cl 0.43743424910135 0.75000000000000 0.42802555400965 35.453 > 79 82 Cl 0.43743424910135 0.08333333333333 0.92802555400965 35.453 > 79 83 Cl 0.43743424910135 0.41666666666667 0.92802555400965 35.453 > 79 84 Cl 0.43743424910135 0.75000000000000 0.92802555400965 35.453 > 79 85 Cl 0.93743424910135 0.08333333333333 0.32197444599035 35.453 > 85 86 Cl 0.93743424910135 0.41666666666667 0.32197444599035 35.453 > 85 87 Cl 0.93743424910135 0.75000000000000 0.32197444599035 35.453 > 85 88 Cl 0.93743424910135 0.08333333333333 0.82197444599035 35.453 > 85 89 Cl 0.93743424910135 0.41666666666667 0.82197444599035 35.453 > 85 90 Cl 0.93743424910135 0.75000000000000 0.82197444599035 35.453 > 85 91 Cl 0.56256575089865 0.25000000000000 0.07197444599035 35.453 > 91 92 Cl 0.56256575089865 0.58333333333333 0.07197444599035 35.453 > 91 93 Cl 0.56256575089865 0.91666666666667 0.07197444599035 35.453 > 91 94 Cl 0.56256575089865 0.25000000000000 0.57197444599035 35.453 > 91 95 Cl 0.56256575089865 0.58333333333333 0.57197444599035 35.453 > 91 96 Cl 0.56256575089865 0.91666666666667 0.57197444599035 35.453 > 91 97 Sr 0.58671437722379 0.08333333333333 0.19053538212698 87.620 > 97 98 Sr 0.58671437722379 0.41666666666667 0.19053538212698 87.620 > 97 99 Sr 0.58671437722379 0.75000000000000 0.19053538212698 87.620 > 97 100 Sr 0.58671437722379 0.08333333333333 0.69053538212698 87.620 > 97 101 Sr 0.58671437722379 0.41666666666667 0.69053538212698 87.620 > 97 102 Sr 0.58671437722379 0.75000000000000 0.69053538212698 87.620 > 97 103 Sr 0.08671437722378 0.08333333333333 0.05946461787302 87.620 > 103 104 Sr 0.08671437722378 0.41666666666667 0.05946461787302 87.620 > 103 105 Sr 0.08671437722378 0.75000000000000 0.05946461787302 87.620 > 103 106 Sr 0.08671437722378 0.08333333333333 0.55946461787302 87.620 > 103 107 Sr 0.08671437722378 0.41666666666667 0.55946461787302 87.620 > 103 108 Sr 0.08671437722378 0.75000000000000 0.55946461787302 87.620 > 103 109 Sr 0.91328562277621 0.25000000000000 0.44053538212698 87.620 > 109 110 Sr 0.91328562277621 0.58333333333333 0.44053538212698 87.620 > 109 111 Sr 0.91328562277621 0.91666666666667 0.44053538212698 87.620 > 109 112 Sr 0.91328562277621 0.25000000000000 0.94053538212698 87.620 > 109 113 Sr 0.91328562277621 0.58333333333333 0.94053538212698 87.620 > 109 114 Sr 0.91328562277621 0.91666666666667 0.94053538212698 87.620 > 109 115 Sr 0.41328562277622 0.25000000000000 0.30946461787302 87.620 > 115 116 Sr 0.41328562277622 0.58333333333333 0.30946461787302 87.620 > 115 117 Sr 0.41328562277622 0.91666666666667 0.30946461787302 87.620 > 115 118 Sr 0.41328562277622 0.25000000000000 0.80946461787302 87.620 > 115 119 Sr 0.41328562277622 0.58333333333333 0.80946461787302 87.620 > 115 120 Sr 0.41328562277622 0.91666666666667 0.80946461787302 87.620 > 115 121 Sr 0.82973021842977 0.25000000000000 0.22027643641956 87.620 > 121 122 Sr 0.82973021842977 0.58333333333333 0.22027643641956 87.620 > 121 123 Sr 0.82973021842977 0.91666666666667 0.22027643641956 87.620 > 121 124 Sr 0.82973021842977 0.25000000000000 0.72027643641956 87.620 > 121 125 Sr 0.82973021842977 0.58333333333333 0.72027643641956 87.620 > 121 126 Sr 0.82973021842977 0.91666666666667 0.72027643641956 87.620 > 121 127 Sr 0.17026978157023 0.08333333333333 0.27972356358044 87.620 > 127 128 Sr 0.17026978157023 0.41666666666667 0.27972356358044 87.620 > 127 129 Sr 0.17026978157023 0.75000000000000 0.27972356358044 87.620 > 127 130 Sr 0.17026978157023 0.08333333333333 0.77972356358044 87.620 > 127 131 Sr 0.17026978157023 0.41666666666667 0.77972356358044 87.620 > 127 132 Sr 0.17026978157023 0.75000000000000 0.77972356358044 87.620 > 127 133 Sr 0.67026978157023 0.08333333333333 0.47027643641956 87.620 > 133 134 Sr 0.67026978157023 0.41666666666667 0.47027643641956 87.620 > 133 135 Sr 0.67026978157023 0.75000000000000 0.47027643641956 87.620 > 133 136 Sr 0.67026978157023 0.08333333333333 0.97027643641956 87.620 > 133 137 Sr 0.67026978157023 0.41666666666667 0.97027643641956 87.620 > 133 138 Sr 0.67026978157023 0.75000000000000 0.97027643641956 87.620 > 133 139 Sr 0.32973021842977 0.25000000000000 0.02972356358044 87.620 > 139 140 Sr 0.32973021842977 0.58333333333333 0.02972356358044 87.620 > 139 141 Sr 0.32973021842977 0.91666666666667 0.02972356358044 87.620 > 139 142 Sr 0.32973021842977 0.25000000000000 0.52972356358044 87.620 > 139 143 Sr 0.32973021842977 0.58333333333333 0.52972356358044 87.620 > 139 144 Sr 0.32973021842977 0.91666666666667 0.52972356358044 87.620 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5610681 0.0000000 0.0000000 0.0000000 3.4801354 0.0000000 0.0000000 0.0000000 3.9849513 -------------------------- Born effective charges -------------------------- 1 B 0.2819262 0.0000000 -1.3702543 0.0000000 -0.2244664 0.0000000 -1.4394134 0.0000000 2.8045559 2 B 0.2819262 0.0000000 -1.3702543 0.0000000 -0.2244664 0.0000000 -1.4394134 0.0000000 2.8045559 3 B 0.2819262 0.0000000 1.3702543 0.0000000 -0.2244664 0.0000000 1.4394134 0.0000000 2.8045559 4 B 0.2819262 0.0000000 1.3702543 0.0000000 -0.2244664 0.0000000 1.4394134 0.0000000 2.8045559 5 N -1.9256317 0.0000000 -0.6172938 0.0000000 -1.7739824 0.0000000 -0.8204080 0.0000000 -2.9960996 6 N -1.9256317 0.0000000 -0.6172938 0.0000000 -1.7739824 0.0000000 -0.8204080 0.0000000 -2.9960996 7 N -1.9256317 0.0000000 0.6172938 0.0000000 -1.7739824 0.0000000 0.8204080 0.0000000 -2.9960996 8 N -2.0666552 0.0000000 0.5468319 0.0000000 -1.7009728 0.0000000 0.5221802 0.0000000 -3.1076608 9 N -2.0666552 0.0000000 -0.5468319 0.0000000 -1.7009728 0.0000000 -0.5221802 0.0000000 -3.1076608 10 N -2.0666552 0.0000000 -0.5468319 0.0000000 -1.7009728 0.0000000 -0.5221802 0.0000000 -3.1076608 11 N -2.0666552 0.0000000 0.5468319 0.0000000 -1.7009728 0.0000000 0.5221802 0.0000000 -3.1076608 12 N -1.9256317 0.0000000 0.6172938 0.0000000 -1.7739824 0.0000000 0.8204080 0.0000000 -2.9960996 13 Cl -1.1886449 0.0000000 0.0228619 0.0000000 -1.3992946 0.0000000 -0.1058359 0.0000000 -1.3361223 14 Cl -1.1886449 0.0000000 -0.0228619 0.0000000 -1.3992946 0.0000000 0.1058359 0.0000000 -1.3361223 15 Cl -1.1886449 0.0000000 0.0228619 0.0000000 -1.3992946 0.0000000 -0.1058359 0.0000000 -1.3361223 16 Cl -1.1886449 0.0000000 -0.0228619 0.0000000 -1.3992946 0.0000000 0.1058359 0.0000000 -1.3361223 17 Sr 2.6299880 0.0000000 -0.0590816 0.0000000 2.5184106 0.0000000 -0.2210572 0.0000000 2.2956173 18 Sr 2.6299880 0.0000000 0.0590816 0.0000000 2.5184106 0.0000000 0.2210572 0.0000000 2.2956173 19 Sr 2.6299880 0.0000000 0.0590816 0.0000000 2.5184106 0.0000000 0.2210572 0.0000000 2.2956173 20 Sr 2.6299880 0.0000000 -0.0590816 0.0000000 2.5184106 0.0000000 -0.2210572 0.0000000 2.2956173 21 Sr 2.2690176 0.0000000 -0.1068473 0.0000000 2.5803056 0.0000000 -0.0562846 0.0000000 2.3397095 22 Sr 2.2690176 0.0000000 -0.1068473 0.0000000 2.5803056 0.0000000 -0.0562846 0.0000000 2.3397095 23 Sr 2.2690176 0.0000000 0.1068473 0.0000000 2.5803056 0.0000000 0.0562846 0.0000000 2.3397095 24 Sr 2.2690176 0.0000000 0.1068473 0.0000000 2.5803056 0.0000000 0.0562846 0.0000000 2.3397095 ---------------------------------------------------------------------------- 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 12 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: 0.53, Number of G-points: 301, Lambda: 0.11 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: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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 1.002 ( 0.000 0.000 0.000) 0.000 1.473 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 1.884 ( 0.000 0.000 0.000) 0.000 1.938 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.465 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 3.032 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 4.032 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.311 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.562 ( 0.000 0.000 0.000) 0.000 6.771 ( 0.000 0.000 0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 7.162 ( 0.000 0.000 0.000) 0.000 7.530 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.676 ( 0.000 0.000 0.000) 0.000 7.677 ( 0.000 0.000 0.000) 0.000 7.755 ( 0.000 0.000 0.000) 0.000 7.775 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 8.340 ( 0.000 0.000 0.000) 0.000 8.469 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 9.026 ( 0.000 0.000 0.000) 0.000 9.087 ( 0.000 0.000 0.000) 0.000 9.162 ( 0.000 0.000 0.000) 0.000 9.176 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.998 ( 0.000 0.000 0.000) 0.000 16.845 ( 0.000 0.000 0.000) 0.000 16.847 ( 0.000 0.000 0.000) 0.000 16.858 ( 0.000 0.000 0.000) 0.000 16.864 ( 0.000 0.000 0.000) 0.000 17.862 ( 0.000 0.000 0.000) 0.000 17.892 ( 0.000 0.000 0.000) 0.000 17.953 ( 0.000 0.000 0.000) 0.000 18.037 ( 0.000 0.000 0.000) 0.000 31.225 ( 0.000 0.000 0.000) 0.000 31.252 ( 0.000 0.000 0.000) 0.000 31.265 ( 0.000 0.000 0.000) 0.000 31.307 ( 0.000 0.000 0.000) 0.000 50.305 ( 0.000 0.000 0.000) 0.000 50.587 ( 0.000 0.000 0.000) 0.000 51.212 ( 0.000 0.000 0.000) 0.000 52.167 ( 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: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( 12.514 0.000 0.000) 12.514 0.510 ( 24.705 0.000 0.000) 24.705 0.799 ( -9.028 0.000 0.000) 9.028 0.981 ( 41.517 0.000 0.000) 41.517 1.419 ( -18.944 0.000 0.000) 18.944 1.601 ( 8.531 0.000 0.000) 8.531 1.748 ( -4.198 0.000 0.000) 4.198 1.959 ( 7.526 0.000 0.000) 7.526 2.096 ( 6.055 0.000 0.000) 6.055 2.179 ( -3.397 0.000 0.000) 3.397 2.515 ( -9.906 0.000 0.000) 9.906 2.558 ( 8.140 0.000 0.000) 8.140 2.737 ( -29.040 0.000 0.000) 29.040 2.944 ( -9.041 0.000 0.000) 9.041 3.267 ( 6.950 0.000 0.000) 6.950 3.481 ( -3.007 0.000 0.000) 3.007 3.485 ( -3.192 0.000 0.000) 3.192 3.485 ( -2.655 0.000 0.000) 2.655 3.608 ( 4.678 0.000 0.000) 4.678 4.029 ( 11.205 0.000 0.000) 11.205 4.042 ( 0.954 0.000 0.000) 0.954 4.091 ( -0.989 0.000 0.000) 0.989 4.278 ( -17.849 0.000 0.000) 17.849 4.280 ( 1.961 0.000 0.000) 1.961 4.396 ( 0.581 0.000 0.000) 0.581 4.422 ( -0.425 0.000 0.000) 0.425 4.426 ( 17.114 0.000 0.000) 17.114 4.563 ( 6.175 0.000 0.000) 6.175 4.630 ( 0.946 0.000 0.000) 0.946 4.669 ( -0.270 0.000 0.000) 0.270 4.964 ( -0.698 0.000 0.000) 0.698 5.098 ( -11.332 0.000 0.000) 11.332 5.316 ( 6.299 0.000 0.000) 6.299 5.366 ( 3.676 0.000 0.000) 3.676 5.525 ( -3.230 0.000 0.000) 3.230 5.563 ( -1.146 0.000 0.000) 1.146 7.107 ( 0.795 0.000 0.000) 0.795 7.154 ( -0.782 0.000 0.000) 0.782 7.543 ( 1.253 0.000 0.000) 1.253 7.592 ( 2.188 0.000 0.000) 2.188 7.627 ( -2.526 0.000 0.000) 2.526 7.716 ( 1.583 0.000 0.000) 1.583 7.741 ( 4.203 0.000 0.000) 4.203 7.752 ( -0.328 0.000 0.000) 0.328 7.803 ( -1.556 0.000 0.000) 1.556 7.849 ( -3.904 0.000 0.000) 3.904 8.601 ( 10.102 0.000 0.000) 10.102 8.683 ( 3.651 0.000 0.000) 3.651 8.941 ( -6.658 0.000 0.000) 6.658 9.035 ( 0.790 0.000 0.000) 0.790 9.078 ( -0.896 0.000 0.000) 0.896 9.110 ( -8.844 0.000 0.000) 8.844 9.164 ( 0.254 0.000 0.000) 0.254 9.175 ( -0.129 0.000 0.000) 0.129 10.071 ( 6.552 0.000 0.000) 6.552 10.359 ( -4.823 0.000 0.000) 4.823 16.845 ( 0.021 0.000 0.000) 0.021 16.846 ( -0.040 0.000 0.000) 0.040 16.859 ( 0.088 0.000 0.000) 0.088 16.863 ( -0.069 0.000 0.000) 0.069 17.875 ( 1.143 0.000 0.000) 1.143 17.937 ( -1.356 0.000 0.000) 1.356 18.042 ( 0.330 0.000 0.000) 0.330 18.051 ( -0.079 0.000 0.000) 0.079 31.221 ( -0.254 0.000 0.000) 0.254 31.234 ( -0.956 0.000 0.000) 0.956 31.286 ( 1.164 0.000 0.000) 1.164 31.309 ( 0.050 0.000 0.000) 0.050 50.334 ( 2.900 0.000 0.000) 2.900 50.528 ( -5.007 0.000 0.000) 5.007 51.709 ( 8.592 0.000 0.000) 8.592 52.095 ( -6.748 0.000 0.000) 6.748 ======================= Grid point 2 (3/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -12.574 0.000 0.000) 12.574 0.531 ( 12.574 0.000 0.000) 12.574 0.993 ( -22.678 0.000 0.000) 22.678 0.993 ( 22.678 0.000 0.000) 22.678 1.696 ( -5.296 0.000 0.000) 5.296 1.696 ( 5.296 0.000 0.000) 5.296 1.883 ( -35.321 0.000 0.000) 35.321 1.883 ( 35.321 0.000 0.000) 35.321 2.088 ( -5.435 0.000 0.000) 5.435 2.088 ( 5.435 0.000 0.000) 5.435 2.331 ( -3.750 0.000 0.000) 3.750 2.331 ( 3.750 0.000 0.000) 3.750 2.750 ( -9.951 0.000 0.000) 9.951 2.750 ( 9.951 0.000 0.000) 9.951 3.394 ( -5.414 0.000 0.000) 5.414 3.394 ( 5.414 0.000 0.000) 5.414 3.462 ( -0.904 0.000 0.000) 0.904 3.462 ( 0.904 0.000 0.000) 0.904 3.857 ( -17.683 0.000 0.000) 17.683 3.857 ( 17.683 0.000 0.000) 17.683 4.066 ( -1.352 0.000 0.000) 1.352 4.066 ( 1.352 0.000 0.000) 1.352 4.235 ( -4.772 0.000 0.000) 4.772 4.235 ( 4.772 0.000 0.000) 4.772 4.410 ( -0.695 0.000 0.000) 0.695 4.410 ( 0.695 0.000 0.000) 0.695 4.639 ( -0.879 0.000 0.000) 0.879 4.639 ( 0.879 0.000 0.000) 0.879 4.728 ( -2.412 0.000 0.000) 2.412 4.728 ( 2.412 0.000 0.000) 2.412 4.873 ( -2.843 0.000 0.000) 2.843 4.873 ( 2.843 0.000 0.000) 2.843 5.447 ( -4.188 0.000 0.000) 4.188 5.447 ( 4.188 0.000 0.000) 4.188 5.479 ( -7.127 0.000 0.000) 7.127 5.479 ( 7.127 0.000 0.000) 7.127 7.131 ( -1.393 0.000 0.000) 1.393 7.131 ( 1.393 0.000 0.000) 1.393 7.579 ( -2.175 0.000 0.000) 2.175 7.579 ( 2.175 0.000 0.000) 2.175 7.675 ( -6.009 0.000 0.000) 6.009 7.675 ( 6.009 0.000 0.000) 6.009 7.741 ( -0.853 0.000 0.000) 0.853 7.741 ( 0.853 0.000 0.000) 0.853 7.825 ( -2.943 0.000 0.000) 2.943 7.825 ( 2.943 0.000 0.000) 2.943 8.774 ( -8.579 0.000 0.000) 8.579 8.774 ( 8.579 0.000 0.000) 8.579 8.881 ( -12.672 0.000 0.000) 12.672 8.881 ( 12.672 0.000 0.000) 12.672 9.055 ( -1.176 0.000 0.000) 1.176 9.055 ( 1.176 0.000 0.000) 1.176 9.170 ( -0.287 0.000 0.000) 0.287 9.170 ( 0.287 0.000 0.000) 0.287 10.226 ( -7.780 0.000 0.000) 7.780 10.226 ( 7.780 0.000 0.000) 7.780 16.846 ( -0.040 0.000 0.000) 0.040 16.846 ( 0.040 0.000 0.000) 0.040 16.861 ( -0.108 0.000 0.000) 0.108 16.861 ( 0.108 0.000 0.000) 0.108 17.905 ( -1.701 0.000 0.000) 1.701 17.905 ( 1.701 0.000 0.000) 1.701 18.048 ( -0.225 0.000 0.000) 0.225 18.048 ( 0.225 0.000 0.000) 0.225 31.220 ( -0.307 0.000 0.000) 0.307 31.220 ( 0.307 0.000 0.000) 0.307 31.304 ( -0.596 0.000 0.000) 0.596 31.304 ( 0.596 0.000 0.000) 0.596 50.418 ( -5.176 0.000 0.000) 5.176 50.418 ( 5.176 0.000 0.000) 5.176 51.914 ( -10.431 0.000 0.000) 10.431 51.914 ( 10.431 0.000 0.000) 10.431 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 0.000 24.997 0.000) 24.997 0.506 ( 0.000 25.189 0.000) 25.189 0.944 ( 0.000 45.700 0.000) 45.700 1.107 ( 0.000 10.843 0.000) 10.843 1.524 ( 0.000 5.178 0.000) 5.178 1.719 ( 0.000 -0.607 0.000) 0.607 1.824 ( 0.000 8.448 0.000) 8.448 2.037 ( 0.000 10.686 0.000) 10.686 2.087 ( 0.000 12.934 0.000) 12.934 2.379 ( 0.000 14.354 0.000) 14.354 2.465 ( 0.000 0.460 0.000) 0.460 2.611 ( 0.000 -0.743 0.000) 0.743 3.173 ( 0.000 12.540 0.000) 12.540 3.199 ( 0.000 6.503 0.000) 6.503 3.242 ( 0.000 11.545 0.000) 11.545 3.453 ( 0.000 -4.872 0.000) 4.872 3.596 ( 0.000 -3.518 0.000) 3.518 3.602 ( 0.000 4.049 0.000) 4.049 3.645 ( 0.000 7.934 0.000) 7.934 3.818 ( 0.000 0.224 0.000) 0.224 4.042 ( 0.000 0.643 0.000) 0.643 4.198 ( 0.000 5.974 0.000) 5.974 4.342 ( 0.000 2.910 0.000) 2.910 4.352 ( 0.000 -6.218 0.000) 6.218 4.402 ( 0.000 1.206 0.000) 1.206 4.436 ( 0.000 -3.010 0.000) 3.010 4.487 ( 0.000 1.790 0.000) 1.790 4.594 ( 0.000 2.841 0.000) 2.841 4.623 ( 0.000 0.297 0.000) 0.297 4.693 ( 0.000 2.510 0.000) 2.510 4.861 ( 0.000 -1.668 0.000) 1.668 4.892 ( 0.000 -1.537 0.000) 1.537 5.216 ( 0.000 -1.297 0.000) 1.297 5.309 ( 0.000 -0.140 0.000) 0.140 5.522 ( 0.000 -3.801 0.000) 3.801 5.537 ( 0.000 -2.043 0.000) 2.043 6.761 ( 0.000 -0.898 0.000) 0.898 7.067 ( 0.000 -3.189 0.000) 3.189 7.139 ( 0.000 -2.215 0.000) 2.215 7.508 ( 0.000 -11.864 0.000) 11.864 7.545 ( 0.000 -2.750 0.000) 2.750 7.581 ( 0.000 -8.026 0.000) 8.026 7.736 ( 0.000 -4.934 0.000) 4.934 7.774 ( 0.000 1.579 0.000) 1.579 8.006 ( 0.000 3.182 0.000) 3.182 8.223 ( 0.000 -10.153 0.000) 10.153 8.379 ( 0.000 -9.759 0.000) 9.759 8.623 ( 0.000 -14.207 0.000) 14.207 8.701 ( 0.000 6.968 0.000) 6.968 9.025 ( 0.000 -3.642 0.000) 3.642 9.166 ( 0.000 13.088 0.000) 13.088 9.278 ( 0.000 16.573 0.000) 16.573 9.376 ( 0.000 16.754 0.000) 16.754 9.424 ( 0.000 15.158 0.000) 15.158 9.939 ( 0.000 -5.467 0.000) 5.467 10.463 ( 0.000 -3.280 0.000) 3.280 16.864 ( 0.000 1.881 0.000) 1.881 16.870 ( 0.000 2.210 0.000) 2.210 16.889 ( 0.000 2.890 0.000) 2.890 17.363 ( 0.000 -0.638 0.000) 0.638 17.861 ( 0.000 -0.087 0.000) 0.087 17.890 ( 0.000 -0.206 0.000) 0.206 17.948 ( 0.000 -0.464 0.000) 0.464 18.023 ( 0.000 -1.319 0.000) 1.319 31.219 ( 0.000 -0.523 0.000) 0.523 31.245 ( 0.000 -0.702 0.000) 0.702 31.257 ( 0.000 -0.714 0.000) 0.714 31.293 ( 0.000 -1.283 0.000) 1.283 50.283 ( 0.000 -2.014 0.000) 2.014 50.550 ( 0.000 -3.505 0.000) 3.505 51.147 ( 0.000 -6.229 0.000) 6.229 52.056 ( 0.000 -10.642 0.000) 10.642 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 4.806 20.842 0.000) 21.389 0.658 ( 17.731 14.655 0.000) 23.003 0.941 ( -12.317 11.850 0.000) 17.091 1.351 ( 30.113 31.565 0.000) 43.625 1.545 ( -17.729 10.656 0.000) 20.685 1.635 ( 7.996 4.412 0.000) 9.133 1.710 ( -3.031 -0.065 0.000) 3.032 2.107 ( 5.138 9.234 0.000) 10.568 2.181 ( 4.375 8.773 0.000) 9.803 2.356 ( -1.791 15.256 0.000) 15.361 2.513 ( -8.745 0.920 0.000) 8.793 2.541 ( 2.742 3.377 0.000) 4.350 2.983 ( -17.557 19.281 0.000) 26.077 3.081 ( -7.515 11.975 0.000) 14.138 3.333 ( 4.114 5.296 0.000) 6.706 3.419 ( -3.804 -4.646 0.000) 6.004 3.480 ( 3.184 -2.252 0.000) 3.900 3.484 ( -3.847 1.521 0.000) 4.137 3.667 ( 0.939 6.618 0.000) 6.685 4.023 ( 10.327 0.741 0.000) 10.353 4.137 ( 0.790 3.673 0.000) 3.757 4.183 ( -7.209 1.146 0.000) 7.300 4.220 ( -15.399 1.065 0.000) 15.435 4.259 ( 1.552 -1.806 0.000) 2.381 4.373 ( 2.958 -0.597 0.000) 3.017 4.434 ( -1.435 0.925 0.000) 1.708 4.490 ( 11.356 5.079 0.000) 12.440 4.593 ( 5.968 3.128 0.000) 6.738 4.636 ( 1.409 0.640 0.000) 1.548 4.681 ( -0.557 1.094 0.000) 1.227 4.912 ( -0.157 -4.136 0.000) 4.139 5.090 ( -10.999 -0.745 0.000) 11.024 5.201 ( 13.042 -7.520 0.000) 15.055 5.350 ( 3.731 -0.850 0.000) 3.827 5.489 ( -2.939 -3.543 0.000) 4.604 5.533 ( -1.699 -2.620 0.000) 3.123 7.030 ( 14.777 -16.117 0.000) 21.866 7.073 ( 0.791 -3.229 0.000) 3.325 7.136 ( 0.468 -2.789 0.000) 2.828 7.432 ( -5.524 -13.053 0.000) 14.174 7.564 ( 1.882 -3.114 0.000) 3.638 7.621 ( 1.381 -6.992 0.000) 7.128 7.772 ( -0.056 1.643 0.000) 1.644 7.790 ( 3.477 -3.406 0.000) 4.867 7.931 ( -3.840 2.806 0.000) 4.755 8.065 ( -7.702 2.841 0.000) 8.210 8.467 ( 5.693 -11.284 0.000) 12.639 8.642 ( -1.825 -17.496 0.000) 17.590 8.720 ( 3.201 5.875 0.000) 6.690 8.968 ( -4.538 -2.424 0.000) 5.144 9.188 ( 2.212 13.585 0.000) 13.764 9.351 ( 2.767 12.096 0.000) 12.408 9.366 ( -4.972 15.640 0.000) 16.411 9.370 ( -0.308 15.568 0.000) 15.571 10.027 ( 7.696 -3.902 0.000) 8.629 10.372 ( -7.096 -0.889 0.000) 7.151 16.864 ( 0.029 1.882 0.000) 1.882 16.868 ( -0.147 2.031 0.000) 2.037 16.901 ( 1.187 3.815 0.000) 3.995 17.084 ( -12.035 11.618 0.000) 16.728 17.873 ( 1.094 -0.141 0.000) 1.103 17.933 ( -1.298 -0.401 0.000) 1.358 17.990 ( 3.317 -3.902 0.000) 5.122 18.026 ( 0.101 -1.503 0.000) 1.506 31.215 ( -0.252 -0.521 0.000) 0.579 31.228 ( -0.907 -0.569 0.000) 1.071 31.276 ( 1.037 -0.921 0.000) 1.387 31.295 ( 0.088 -1.261 0.000) 1.264 50.309 ( 2.532 -2.361 0.000) 3.462 50.482 ( -4.828 -3.925 0.000) 6.222 51.460 ( 18.346 -15.715 0.000) 24.157 51.980 ( -7.291 -10.980 0.000) 13.181 ======================= Grid point 7 (6/63) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -9.206 15.508 0.000) 18.035 0.699 ( 9.206 15.508 0.000) 18.035 1.112 ( -23.209 9.251 0.000) 24.985 1.112 ( 23.209 9.251 0.000) 24.985 1.689 ( -1.882 2.160 0.000) 2.865 1.689 ( 1.882 2.160 0.000) 2.865 2.008 ( -23.517 13.185 0.000) 26.961 2.008 ( 23.517 13.185 0.000) 26.961 2.285 ( -7.879 10.702 0.000) 13.289 2.285 ( 7.879 10.702 0.000) 13.289 2.390 ( -4.311 10.994 0.000) 11.809 2.390 ( 4.311 10.994 0.000) 11.809 2.916 ( -7.626 14.960 0.000) 16.792 2.916 ( 7.626 14.960 0.000) 16.792 3.378 ( -1.387 -2.697 0.000) 3.033 3.378 ( 1.387 -2.697 0.000) 3.033 3.497 ( -2.469 3.785 0.000) 4.519 3.497 ( 2.469 3.785 0.000) 4.519 3.832 ( -15.444 -1.656 0.000) 15.533 3.832 ( 15.444 -1.656 0.000) 15.533 4.132 ( -0.210 5.795 0.000) 5.799 4.132 ( 0.210 5.795 0.000) 5.799 4.221 ( -4.322 -1.170 0.000) 4.477 4.221 ( 4.322 -1.170 0.000) 4.477 4.411 ( -1.257 -0.125 0.000) 1.263 4.411 ( 1.257 -0.125 0.000) 1.263 4.647 ( -1.570 0.816 0.000) 1.770 4.647 ( 1.570 0.816 0.000) 1.770 4.753 ( -4.511 2.585 0.000) 5.199 4.753 ( 4.511 2.585 0.000) 5.199 4.848 ( -6.857 -2.044 0.000) 7.155 4.848 ( 6.857 -2.044 0.000) 7.155 5.405 ( -6.160 -4.554 0.000) 7.661 5.405 ( 6.160 -4.554 0.000) 7.661 5.445 ( -5.963 -2.132 0.000) 6.333 5.445 ( 5.963 -2.132 0.000) 6.333 7.097 ( -1.263 -3.605 0.000) 3.819 7.097 ( 1.263 -3.605 0.000) 3.819 7.291 ( -8.711 -15.382 0.000) 17.677 7.291 ( 8.711 -15.382 0.000) 17.677 7.612 ( -2.130 -4.938 0.000) 5.378 7.612 ( 2.130 -4.938 0.000) 5.378 7.783 ( -1.555 2.025 0.000) 2.553 7.783 ( 1.555 2.025 0.000) 2.553 7.960 ( -4.039 1.796 0.000) 4.420 7.960 ( 4.039 1.796 0.000) 4.420 8.564 ( -4.576 -13.799 0.000) 14.538 8.564 ( 4.576 -13.799 0.000) 14.538 8.844 ( -7.429 0.061 0.000) 7.429 8.844 ( 7.429 0.061 0.000) 7.429 9.258 ( -4.709 15.012 0.000) 15.733 9.258 ( 4.709 15.012 0.000) 15.733 9.370 ( -0.124 14.003 0.000) 14.004 9.370 ( 0.124 14.003 0.000) 14.004 10.206 ( -9.058 -1.846 0.000) 9.244 10.206 ( 9.058 -1.846 0.000) 9.244 16.866 ( -0.081 1.909 0.000) 1.910 16.866 ( 0.081 1.909 0.000) 1.910 16.944 ( -3.519 6.740 0.000) 7.603 16.944 ( 3.519 6.740 0.000) 7.603 17.902 ( -1.628 -0.266 0.000) 1.650 17.902 ( 1.628 -0.266 0.000) 1.650 18.022 ( -0.562 -2.207 0.000) 2.277 18.022 ( 0.562 -2.207 0.000) 2.277 31.215 ( -0.310 -0.518 0.000) 0.604 31.215 ( 0.310 -0.518 0.000) 0.604 31.292 ( -0.495 -1.140 0.000) 1.243 31.292 ( 0.495 -1.140 0.000) 1.243 50.383 ( -4.552 -3.263 0.000) 5.601 50.383 ( 4.552 -3.263 0.000) 5.601 51.772 ( -12.828 -12.590 0.000) 17.974 51.772 ( 12.828 -12.590 0.000) 17.974 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.000 24.967 0.000) 24.967 1.011 ( 0.000 24.890 0.000) 24.890 1.430 ( 0.000 20.400 0.000) 20.400 1.668 ( 0.000 11.831 0.000) 11.831 1.788 ( 0.000 6.925 0.000) 6.925 1.810 ( 0.000 35.211 0.000) 35.211 2.009 ( 0.000 10.242 0.000) 10.242 2.280 ( 0.000 4.425 0.000) 4.425 2.333 ( 0.000 16.196 0.000) 16.196 2.521 ( 0.000 5.407 0.000) 5.407 2.650 ( 0.000 6.721 0.000) 6.721 2.697 ( 0.000 15.073 0.000) 15.073 3.302 ( 0.000 -10.020 0.000) 10.020 3.303 ( 0.000 2.580 0.000) 2.580 3.400 ( 0.000 7.290 0.000) 7.290 3.475 ( 0.000 9.429 0.000) 9.429 3.668 ( 0.000 12.904 0.000) 12.904 3.787 ( 0.000 14.217 0.000) 14.217 3.838 ( 0.000 10.492 0.000) 10.492 3.871 ( 0.000 5.627 0.000) 5.627 4.120 ( 0.000 7.572 0.000) 7.572 4.189 ( 0.000 -8.770 0.000) 8.770 4.228 ( 0.000 -1.284 0.000) 1.284 4.390 ( 0.000 -1.618 0.000) 1.618 4.431 ( 0.000 1.345 0.000) 1.345 4.505 ( 0.000 10.602 0.000) 10.602 4.531 ( 0.000 2.820 0.000) 2.820 4.591 ( 0.000 -3.536 0.000) 3.536 4.640 ( 0.000 1.885 0.000) 1.885 4.751 ( 0.000 2.272 0.000) 2.272 4.837 ( 0.000 -0.651 0.000) 0.651 4.870 ( 0.000 0.529 0.000) 0.529 5.191 ( 0.000 -0.507 0.000) 0.507 5.316 ( 0.000 1.212 0.000) 1.212 5.421 ( 0.000 -5.678 0.000) 5.678 5.494 ( 0.000 -1.717 0.000) 1.717 6.740 ( 0.000 -1.052 0.000) 1.052 6.981 ( 0.000 -5.086 0.000) 5.086 7.078 ( 0.000 -3.656 0.000) 3.656 7.268 ( 0.000 -11.461 0.000) 11.461 7.410 ( 0.000 -8.096 0.000) 8.096 7.472 ( 0.000 -4.296 0.000) 4.296 7.606 ( 0.000 -7.263 0.000) 7.263 7.800 ( 0.000 0.221 0.000) 0.221 7.987 ( 0.000 -12.209 0.000) 12.209 7.999 ( 0.000 -4.170 0.000) 4.170 8.147 ( 0.000 -12.367 0.000) 12.367 8.339 ( 0.000 -13.863 0.000) 13.863 8.896 ( 0.000 10.954 0.000) 10.954 8.959 ( 0.000 -2.843 0.000) 2.843 9.503 ( 0.000 19.050 0.000) 19.050 9.607 ( 0.000 15.139 0.000) 15.139 9.720 ( 0.000 16.133 0.000) 16.133 9.771 ( 0.000 18.342 0.000) 18.342 9.802 ( 0.000 -7.478 0.000) 7.478 10.375 ( 0.000 -4.820 0.000) 4.820 16.917 ( 0.000 3.274 0.000) 3.274 16.930 ( 0.000 3.540 0.000) 3.540 16.963 ( 0.000 4.140 0.000) 4.140 17.344 ( 0.000 -1.157 0.000) 1.157 17.859 ( 0.000 -0.141 0.000) 0.141 17.884 ( 0.000 -0.357 0.000) 0.357 17.935 ( 0.000 -0.785 0.000) 0.785 17.989 ( 0.000 -1.937 0.000) 1.937 31.206 ( 0.000 -0.747 0.000) 0.747 31.227 ( 0.000 -0.960 0.000) 0.960 31.239 ( 0.000 -1.010 0.000) 1.010 31.261 ( 0.000 -1.730 0.000) 1.730 50.233 ( 0.000 -2.701 0.000) 2.701 50.453 ( 0.000 -5.855 0.000) 5.855 50.973 ( 0.000 -10.690 0.000) 10.690 51.764 ( 0.000 -17.493 0.000) 17.493 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 1.064 23.456 0.000) 23.480 1.026 ( 6.326 20.496 0.000) 21.450 1.273 ( -10.623 20.056 0.000) 22.696 1.779 ( -12.920 11.868 0.000) 17.544 1.781 ( 4.888 11.110 0.000) 12.138 1.787 ( -7.193 7.388 0.000) 10.311 2.030 ( 17.996 29.908 0.000) 34.905 2.258 ( 1.876 6.344 0.000) 6.616 2.388 ( 6.273 9.261 0.000) 11.185 2.577 ( -5.471 7.723 0.000) 9.465 2.713 ( 0.817 17.785 0.000) 17.803 2.726 ( 10.624 12.810 0.000) 16.643 3.307 ( 0.168 -4.983 0.000) 4.985 3.307 ( -0.885 7.516 0.000) 7.568 3.414 ( -12.925 11.233 0.000) 17.124 3.429 ( -3.247 5.005 0.000) 5.966 3.444 ( 0.820 10.074 0.000) 10.107 3.609 ( -8.164 9.199 0.000) 12.299 3.845 ( -1.120 9.842 0.000) 9.905 4.028 ( -4.962 -3.516 0.000) 6.081 4.100 ( 3.723 2.120 0.000) 4.284 4.199 ( 3.132 -0.042 0.000) 3.132 4.243 ( 1.778 3.493 0.000) 3.919 4.318 ( -4.926 3.300 0.000) 5.929 4.382 ( -1.448 1.166 0.000) 1.859 4.446 ( -2.531 0.032 0.000) 2.531 4.626 ( 7.319 8.034 0.000) 10.868 4.656 ( 2.459 1.275 0.000) 2.770 4.664 ( 4.277 1.913 0.000) 4.685 4.718 ( -2.139 3.316 0.000) 3.946 4.848 ( 3.196 -0.967 0.000) 3.339 5.078 ( 11.403 -4.865 0.000) 12.397 5.081 ( -9.668 0.614 0.000) 9.687 5.341 ( 2.460 0.212 0.000) 2.469 5.393 ( -2.814 -5.506 0.000) 6.184 5.479 ( -2.136 -2.086 0.000) 2.985 6.838 ( 7.880 -5.358 0.000) 9.529 6.984 ( 0.316 -5.434 0.000) 5.443 7.072 ( -0.454 -3.713 0.000) 3.740 7.195 ( -5.480 -10.043 0.000) 11.441 7.471 ( 3.443 -7.568 0.000) 8.315 7.485 ( 1.152 -4.540 0.000) 4.684 7.664 ( 5.509 -8.021 0.000) 9.731 7.794 ( -0.371 -0.065 0.000) 0.377 7.918 ( -4.952 -4.011 0.000) 6.373 7.947 ( -3.618 -10.847 0.000) 11.435 8.228 ( 4.993 -12.078 0.000) 13.069 8.333 ( -0.837 -13.693 0.000) 13.718 8.873 ( -1.322 8.226 0.000) 8.332 8.931 ( -2.493 -1.597 0.000) 2.960 9.528 ( 2.543 18.939 0.000) 19.109 9.623 ( 1.072 13.683 0.000) 13.725 9.661 ( -2.076 10.957 0.000) 11.152 9.717 ( -4.738 18.493 0.000) 19.090 9.955 ( 10.293 -1.376 0.000) 10.385 10.318 ( -5.520 -3.650 0.000) 6.618 16.917 ( 0.029 3.266 0.000) 3.266 16.924 ( -0.349 3.371 0.000) 3.389 16.992 ( 2.660 4.709 0.000) 5.408 17.226 ( -8.658 3.502 0.000) 9.339 17.869 ( 0.960 -0.232 0.000) 0.988 17.922 ( -1.141 -0.678 0.000) 1.327 17.930 ( 2.952 -2.126 0.000) 3.638 17.988 ( -0.262 -2.085 0.000) 2.102 31.202 ( -0.216 -0.684 0.000) 0.717 31.213 ( -0.766 -0.760 0.000) 1.079 31.252 ( 0.746 -1.288 0.000) 1.488 31.264 ( 0.155 -1.706 0.000) 1.713 50.250 ( 1.709 -3.195 0.000) 3.623 50.386 ( -4.660 -5.343 0.000) 7.090 51.164 ( 14.923 -14.388 0.000) 20.730 51.685 ( -7.654 -17.411 0.000) 19.019 ======================= Grid point 12 (9/63) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -6.534 21.790 0.000) 22.748 1.088 ( 6.534 21.790 0.000) 22.748 1.323 ( -21.252 11.960 0.000) 24.386 1.323 ( 21.252 11.960 0.000) 24.386 1.816 ( -1.044 9.995 0.000) 10.049 1.816 ( 1.044 9.995 0.000) 10.049 2.300 ( -3.515 10.894 0.000) 11.447 2.300 ( 3.515 10.894 0.000) 11.447 2.468 ( -3.557 12.567 0.000) 13.060 2.468 ( 3.557 12.567 0.000) 13.060 2.782 ( -5.542 22.782 0.000) 23.446 2.782 ( 5.542 22.782 0.000) 23.446 3.261 ( -2.513 15.782 0.000) 15.980 3.261 ( 2.513 15.782 0.000) 15.980 3.331 ( -3.472 0.532 0.000) 3.513 3.331 ( 3.472 0.532 0.000) 3.513 3.522 ( -2.674 -2.477 0.000) 3.645 3.522 ( 2.674 -2.477 0.000) 3.645 3.862 ( -4.884 5.761 0.000) 7.553 3.862 ( 4.884 5.761 0.000) 7.553 4.198 ( -2.249 -0.994 0.000) 2.459 4.198 ( 2.249 -0.994 0.000) 2.459 4.269 ( -0.559 7.135 0.000) 7.156 4.269 ( 0.559 7.135 0.000) 7.156 4.400 ( -2.279 -0.659 0.000) 2.372 4.400 ( 2.279 -0.659 0.000) 2.372 4.680 ( -1.784 2.598 0.000) 3.152 4.680 ( 1.784 2.598 0.000) 3.152 4.778 ( -1.554 -1.984 0.000) 2.520 4.778 ( 1.554 -1.984 0.000) 2.520 4.868 ( -7.004 6.346 0.000) 9.451 4.868 ( 7.004 6.346 0.000) 9.451 5.289 ( -8.151 -6.285 0.000) 10.293 5.289 ( 8.151 -6.285 0.000) 10.293 5.409 ( -3.980 -1.247 0.000) 4.171 5.409 ( 3.980 -1.247 0.000) 4.171 6.972 ( -3.165 -7.752 0.000) 8.373 6.972 ( 3.165 -7.752 0.000) 8.373 7.088 ( -3.511 -5.879 0.000) 6.847 7.088 ( 3.511 -5.879 0.000) 6.847 7.504 ( -0.155 -5.588 0.000) 5.590 7.504 ( 0.155 -5.588 0.000) 5.590 7.777 ( -2.975 -3.870 0.000) 4.881 7.777 ( 2.975 -3.870 0.000) 4.881 7.868 ( -1.843 -7.699 0.000) 7.917 7.868 ( 1.843 -7.699 0.000) 7.917 8.302 ( -2.313 -12.295 0.000) 12.510 8.302 ( 2.313 -12.295 0.000) 12.510 8.878 ( -1.961 2.394 0.000) 3.095 8.878 ( 1.961 2.394 0.000) 3.095 9.606 ( -4.787 18.609 0.000) 19.215 9.606 ( 4.787 18.609 0.000) 19.215 9.642 ( -0.138 12.292 0.000) 12.292 9.642 ( 0.138 12.292 0.000) 12.292 10.162 ( -9.456 -1.918 0.000) 9.648 10.162 ( 9.456 -1.918 0.000) 9.648 16.919 ( -0.136 3.273 0.000) 3.275 16.919 ( 0.136 3.273 0.000) 3.275 17.074 ( -5.715 5.453 0.000) 7.899 17.074 ( 5.715 5.453 0.000) 7.899 17.895 ( -1.431 -0.447 0.000) 1.499 17.895 ( 1.431 -0.447 0.000) 1.499 17.973 ( -1.306 -2.417 0.000) 2.747 17.973 ( 1.306 -2.417 0.000) 2.747 31.202 ( -0.284 -0.655 0.000) 0.714 31.202 ( 0.284 -0.655 0.000) 0.714 31.263 ( -0.285 -1.568 0.000) 1.594 31.263 ( 0.285 -1.568 0.000) 1.594 50.302 ( -3.432 -4.364 0.000) 5.552 50.302 ( 3.432 -4.364 0.000) 5.552 51.466 ( -13.553 -16.920 0.000) 21.679 51.466 ( 13.553 -16.920 0.000) 21.679 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.000 23.095 0.000) 23.095 1.501 ( 0.000 24.058 0.000) 24.058 1.882 ( 0.000 23.369 0.000) 23.369 1.906 ( 0.000 11.787 0.000) 11.787 1.959 ( 0.000 8.647 0.000) 8.647 2.233 ( 0.000 11.255 0.000) 11.255 2.303 ( 0.000 13.219 0.000) 13.219 2.305 ( 0.000 -0.235 0.000) 0.235 2.610 ( 0.000 9.966 0.000) 9.966 2.621 ( 0.000 3.767 0.000) 3.767 2.925 ( 0.000 7.009 0.000) 7.009 2.968 ( 0.000 20.604 0.000) 20.604 3.086 ( 0.000 -9.498 0.000) 9.498 3.338 ( 0.000 5.210 0.000) 5.210 3.575 ( 0.000 11.465 0.000) 11.465 3.635 ( 0.000 5.319 0.000) 5.319 3.868 ( 0.000 -6.415 0.000) 6.415 3.935 ( 0.000 8.777 0.000) 8.777 4.007 ( 0.000 5.719 0.000) 5.719 4.033 ( 0.000 8.000 0.000) 8.000 4.216 ( 0.000 1.808 0.000) 1.808 4.224 ( 0.000 11.278 0.000) 11.278 4.322 ( 0.000 10.508 0.000) 10.508 4.368 ( 0.000 -0.590 0.000) 0.590 4.445 ( 0.000 0.536 0.000) 0.536 4.487 ( 0.000 -5.082 0.000) 5.082 4.608 ( 0.000 4.451 0.000) 4.451 4.655 ( 0.000 1.825 0.000) 1.825 4.723 ( 0.000 6.707 0.000) 6.707 4.769 ( 0.000 1.458 0.000) 1.458 4.811 ( 0.000 -2.427 0.000) 2.427 4.952 ( 0.000 7.422 0.000) 7.422 5.234 ( 0.000 3.309 0.000) 3.309 5.338 ( 0.000 1.240 0.000) 1.240 5.365 ( 0.000 3.588 0.000) 3.588 5.491 ( 0.000 2.065 0.000) 2.065 6.724 ( 0.000 -0.394 0.000) 0.394 6.872 ( 0.000 -5.497 0.000) 5.497 6.999 ( 0.000 -4.002 0.000) 4.002 7.054 ( 0.000 -9.702 0.000) 9.702 7.269 ( 0.000 -5.848 0.000) 5.848 7.381 ( 0.000 -4.475 0.000) 4.475 7.462 ( 0.000 -6.837 0.000) 6.837 7.700 ( 0.000 -10.811 0.000) 10.811 7.820 ( 0.000 -3.458 0.000) 3.458 7.854 ( 0.000 -9.410 0.000) 9.410 7.900 ( 0.000 -11.749 0.000) 11.749 8.069 ( 0.000 -12.819 0.000) 12.819 8.921 ( 0.000 -0.641 0.000) 0.641 9.103 ( 0.000 8.863 0.000) 8.863 9.648 ( 0.000 -7.407 0.000) 7.407 9.814 ( 0.000 2.754 0.000) 2.754 9.891 ( 0.000 18.200 0.000) 18.200 10.007 ( 0.000 12.446 0.000) 12.446 10.133 ( 0.000 17.078 0.000) 17.078 10.329 ( 0.000 2.566 0.000) 2.566 16.991 ( 0.000 3.898 0.000) 3.898 17.005 ( 0.000 3.741 0.000) 3.741 17.044 ( 0.000 3.718 0.000) 3.718 17.317 ( 0.000 -1.513 0.000) 1.513 17.856 ( 0.000 -0.141 0.000) 0.141 17.876 ( 0.000 -0.422 0.000) 0.422 17.918 ( 0.000 -0.878 0.000) 0.878 17.950 ( 0.000 -1.845 0.000) 1.845 31.192 ( 0.000 -0.580 0.000) 0.580 31.209 ( 0.000 -0.743 0.000) 0.743 31.220 ( 0.000 -0.857 0.000) 0.857 31.229 ( 0.000 -1.357 0.000) 1.357 50.187 ( 0.000 -1.535 0.000) 1.535 50.328 ( 0.000 -6.271 0.000) 6.271 50.736 ( 0.000 -12.383 0.000) 12.383 51.383 ( 0.000 -19.674 0.000) 19.674 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -0.841 20.818 0.000) 20.835 1.483 ( -0.084 22.313 0.000) 22.313 1.695 ( -9.289 20.734 0.000) 22.720 1.967 ( -11.438 9.110 0.000) 14.623 2.018 ( -7.057 11.633 0.000) 13.607 2.051 ( 4.171 15.291 0.000) 15.850 2.371 ( 4.562 3.849 0.000) 5.969 2.405 ( 6.758 9.249 0.000) 11.455 2.508 ( 8.514 4.387 0.000) 9.578 2.795 ( -5.944 9.273 0.000) 11.014 2.959 ( 11.007 8.878 0.000) 14.141 3.116 ( 7.582 20.631 0.000) 21.980 3.156 ( 8.565 -8.148 0.000) 11.822 3.409 ( 6.056 4.447 0.000) 7.513 3.521 ( -8.726 3.415 0.000) 9.370 3.552 ( -2.101 11.202 0.000) 11.398 3.675 ( -13.467 -0.717 0.000) 13.487 3.804 ( -10.371 12.088 0.000) 15.928 4.034 ( -1.141 8.802 0.000) 8.876 4.048 ( -0.084 5.121 0.000) 5.122 4.192 ( -1.195 1.886 0.000) 2.233 4.201 ( -1.406 4.951 0.000) 5.147 4.369 ( -0.570 1.821 0.000) 1.908 4.374 ( 3.602 6.755 0.000) 7.655 4.410 ( -2.337 2.664 0.000) 3.543 4.451 ( 0.769 1.773 0.000) 1.933 4.647 ( 0.181 -2.752 0.000) 2.758 4.662 ( 0.783 -1.938 0.000) 2.090 4.774 ( 3.292 6.254 0.000) 7.067 4.796 ( -0.883 2.938 0.000) 3.068 4.908 ( 12.086 6.092 0.000) 13.534 5.018 ( 4.659 0.849 0.000) 4.736 5.157 ( -6.328 5.926 0.000) 8.670 5.305 ( -3.350 -0.542 0.000) 3.394 5.370 ( 0.791 2.773 0.000) 2.884 5.473 ( -2.268 2.000 0.000) 3.024 6.766 ( 3.612 -2.226 0.000) 4.242 6.868 ( -0.423 -5.697 0.000) 5.713 6.992 ( -0.621 -4.079 0.000) 4.126 7.022 ( -2.476 -7.536 0.000) 7.932 7.327 ( 4.496 -6.526 0.000) 7.924 7.390 ( 0.709 -4.650 0.000) 4.703 7.501 ( 3.676 -7.687 0.000) 8.521 7.694 ( -1.104 -11.673 0.000) 11.725 7.770 ( -3.897 -3.931 0.000) 5.535 7.788 ( -3.338 -8.045 0.000) 8.710 7.983 ( 4.804 -12.177 0.000) 13.090 8.077 ( 0.319 -11.854 0.000) 11.859 8.914 ( -0.399 0.196 0.000) 0.445 9.023 ( -5.902 6.305 0.000) 8.636 9.712 ( 4.593 -3.984 0.000) 6.080 9.810 ( -0.501 2.089 0.000) 2.149 9.908 ( 2.048 17.790 0.000) 17.908 10.064 ( 5.203 10.555 0.000) 11.768 10.083 ( -4.481 17.166 0.000) 17.742 10.293 ( -3.572 3.604 0.000) 5.074 16.991 ( -0.003 3.866 0.000) 3.866 16.997 ( -0.433 3.742 0.000) 3.767 17.077 ( 2.896 3.605 0.000) 4.624 17.260 ( -4.833 0.427 0.000) 4.852 17.864 ( 0.777 -0.241 0.000) 0.814 17.898 ( 1.733 -1.183 0.000) 2.099 17.907 ( -0.929 -0.755 0.000) 1.197 17.947 ( -0.419 -1.887 0.000) 1.933 31.190 ( -0.116 -0.500 0.000) 0.514 31.200 ( -0.584 -0.559 0.000) 0.808 31.228 ( 0.449 -1.084 0.000) 1.173 31.232 ( 0.189 -1.373 0.000) 1.386 50.193 ( 0.704 -2.105 0.000) 2.219 50.277 ( -3.496 -5.224 0.000) 6.285 50.871 ( 11.183 -14.502 0.000) 18.313 51.310 ( -6.983 -19.161 0.000) 20.394 ======================= Grid point 17 (12/63) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -5.617 22.020 0.000) 22.725 1.537 ( 5.617 22.020 0.000) 22.725 1.587 ( -14.767 13.644 0.000) 20.106 1.587 ( 14.767 13.644 0.000) 20.106 2.061 ( -2.292 13.493 0.000) 13.686 2.061 ( 2.292 13.493 0.000) 13.686 2.458 ( -2.145 6.019 0.000) 6.390 2.458 ( 2.145 6.019 0.000) 6.390 2.685 ( -6.382 7.497 0.000) 9.845 2.685 ( 6.382 7.497 0.000) 9.845 3.133 ( -7.737 3.385 0.000) 8.445 3.133 ( 7.737 3.385 0.000) 8.445 3.359 ( -8.562 5.061 0.000) 9.946 3.359 ( 8.562 5.061 0.000) 9.946 3.494 ( -2.448 10.275 0.000) 10.563 3.494 ( 2.448 10.275 0.000) 10.563 3.589 ( -8.569 9.557 0.000) 12.836 3.589 ( 8.569 9.557 0.000) 12.836 4.020 ( -0.818 9.087 0.000) 9.124 4.020 ( 0.818 9.087 0.000) 9.124 4.183 ( -0.299 -0.089 0.000) 0.312 4.183 ( 0.299 -0.089 0.000) 0.312 4.371 ( -1.014 2.065 0.000) 2.300 4.371 ( 1.014 2.065 0.000) 2.300 4.442 ( -2.367 5.936 0.000) 6.391 4.442 ( 2.367 5.936 0.000) 6.391 4.671 ( -0.704 -4.806 0.000) 4.857 4.671 ( 0.704 -4.806 0.000) 4.857 4.796 ( -0.986 4.637 0.000) 4.741 4.796 ( 0.986 4.637 0.000) 4.741 5.049 ( -3.463 9.893 0.000) 10.482 5.049 ( 3.463 9.893 0.000) 10.482 5.181 ( -9.187 -2.347 0.000) 9.482 5.181 ( 9.187 -2.347 0.000) 9.482 5.409 ( -3.086 1.614 0.000) 3.483 5.409 ( 3.086 1.614 0.000) 3.483 6.840 ( -2.807 -5.209 0.000) 5.917 6.840 ( 2.807 -5.209 0.000) 5.917 6.986 ( -0.527 -4.727 0.000) 4.757 6.986 ( 0.527 -4.727 0.000) 4.757 7.392 ( -1.210 -5.392 0.000) 5.527 7.392 ( 1.210 -5.392 0.000) 5.527 7.607 ( -6.345 -10.512 0.000) 12.278 7.607 ( 6.345 -10.512 0.000) 12.278 7.742 ( -1.041 -5.866 0.000) 5.957 7.742 ( 1.041 -5.866 0.000) 5.957 8.060 ( -2.346 -11.836 0.000) 12.066 8.060 ( 2.346 -11.836 0.000) 12.066 8.929 ( -2.601 2.794 0.000) 3.817 8.929 ( 2.601 2.794 0.000) 3.817 9.785 ( -2.272 0.129 0.000) 2.275 9.785 ( 2.272 0.129 0.000) 2.275 9.981 ( -4.861 17.467 0.000) 18.131 9.981 ( 4.861 17.467 0.000) 18.131 10.189 ( -6.293 6.431 0.000) 8.998 10.189 ( 6.293 6.431 0.000) 8.998 16.992 ( -0.125 3.793 0.000) 3.795 16.992 ( 0.125 3.793 0.000) 3.795 17.156 ( -4.803 2.768 0.000) 5.544 17.156 ( 4.803 2.768 0.000) 5.544 17.885 ( -1.165 -0.488 0.000) 1.263 17.885 ( 1.165 -0.488 0.000) 1.263 17.930 ( -1.259 -1.821 0.000) 2.214 17.930 ( 1.259 -1.821 0.000) 2.214 31.191 ( -0.254 -0.448 0.000) 0.515 31.191 ( 0.254 -0.448 0.000) 0.515 31.234 ( -0.096 -1.302 0.000) 1.305 31.234 ( 0.096 -1.302 0.000) 1.305 50.220 ( -2.003 -3.541 0.000) 4.068 50.220 ( 2.003 -3.541 0.000) 4.068 51.115 ( -11.663 -17.468 0.000) 21.003 51.115 ( 11.663 -17.468 0.000) 21.003 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 0.000 19.018 0.000) 19.018 1.954 ( 0.000 20.082 0.000) 20.082 2.063 ( 0.000 0.712 0.000) 0.712 2.097 ( 0.000 6.525 0.000) 6.525 2.331 ( 0.000 20.258 0.000) 20.258 2.338 ( 0.000 4.506 0.000) 4.506 2.388 ( 0.000 0.853 0.000) 0.853 2.524 ( 0.000 11.506 0.000) 11.506 2.690 ( 0.000 0.426 0.000) 0.426 2.691 ( 0.000 3.600 0.000) 3.600 2.996 ( 0.000 1.372 0.000) 1.372 3.050 ( 0.000 7.207 0.000) 7.207 3.119 ( 0.000 -1.079 0.000) 1.079 3.521 ( 0.000 -11.404 0.000) 11.404 3.670 ( 0.000 15.754 0.000) 15.754 3.829 ( 0.000 11.867 0.000) 11.867 3.945 ( 0.000 10.169 0.000) 10.169 3.969 ( 0.000 -2.291 0.000) 2.291 4.059 ( 0.000 3.651 0.000) 3.651 4.145 ( 0.000 3.232 0.000) 3.232 4.313 ( 0.000 5.447 0.000) 5.447 4.353 ( 0.000 1.773 0.000) 1.773 4.364 ( 0.000 0.025 0.000) 0.025 4.396 ( 0.000 -0.335 0.000) 0.335 4.446 ( 0.000 0.992 0.000) 0.992 4.535 ( 0.000 4.594 0.000) 4.594 4.575 ( 0.000 -7.745 0.000) 7.745 4.645 ( 0.000 -0.585 0.000) 0.585 4.744 ( 0.000 -3.655 0.000) 3.655 4.855 ( 0.000 4.482 0.000) 4.482 4.892 ( 0.000 8.703 0.000) 8.703 5.176 ( 0.000 14.215 0.000) 14.215 5.204 ( 0.000 -2.891 0.000) 2.891 5.450 ( 0.000 4.531 0.000) 4.531 5.576 ( 0.000 16.285 0.000) 16.285 5.600 ( 0.000 8.981 0.000) 8.981 6.727 ( 0.000 0.709 0.000) 0.709 6.770 ( 0.000 -4.272 0.000) 4.272 6.881 ( 0.000 -7.338 0.000) 7.338 6.922 ( 0.000 -3.590 0.000) 3.590 7.177 ( 0.000 -3.268 0.000) 3.268 7.299 ( 0.000 -3.485 0.000) 3.485 7.336 ( 0.000 -5.625 0.000) 5.625 7.485 ( 0.000 -9.590 0.000) 9.590 7.659 ( 0.000 -9.023 0.000) 9.023 7.687 ( 0.000 -9.097 0.000) 9.097 7.746 ( 0.000 -4.159 0.000) 4.159 7.836 ( 0.000 -9.961 0.000) 9.961 8.939 ( 0.000 2.544 0.000) 2.544 9.233 ( 0.000 3.944 0.000) 3.944 9.501 ( 0.000 -7.145 0.000) 7.145 9.711 ( 0.000 -10.578 0.000) 10.578 10.213 ( 0.000 13.241 0.000) 13.241 10.228 ( 0.000 9.644 0.000) 9.644 10.439 ( 0.000 12.904 0.000) 12.904 10.477 ( 0.000 9.634 0.000) 9.634 17.069 ( 0.000 3.787 0.000) 3.787 17.074 ( 0.000 3.051 0.000) 3.051 17.107 ( 0.000 2.466 0.000) 2.466 17.284 ( 0.000 -1.774 0.000) 1.774 17.854 ( 0.000 -0.078 0.000) 0.078 17.867 ( 0.000 -0.398 0.000) 0.398 17.901 ( 0.000 -0.731 0.000) 0.731 17.918 ( 0.000 -1.367 0.000) 1.367 31.184 ( 0.000 -0.191 0.000) 0.191 31.198 ( 0.000 -0.352 0.000) 0.352 31.206 ( 0.000 -0.517 0.000) 0.517 31.208 ( 0.000 -0.778 0.000) 0.778 50.183 ( 0.000 1.351 0.000) 1.351 50.215 ( 0.000 -4.546 0.000) 4.546 50.493 ( 0.000 -11.261 0.000) 11.261 50.996 ( 0.000 -18.308 0.000) 18.308 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -5.976 16.116 0.000) 17.188 1.892 ( -0.078 17.535 0.000) 17.536 2.063 ( -4.816 14.960 0.000) 15.716 2.086 ( -12.528 1.779 0.000) 12.654 2.226 ( 2.748 7.948 0.000) 8.410 2.368 ( 0.597 15.072 0.000) 15.084 2.408 ( 6.158 1.908 0.000) 6.447 2.553 ( 2.055 7.281 0.000) 7.565 2.629 ( 5.296 6.463 0.000) 8.356 2.931 ( -3.585 6.070 0.000) 7.049 3.003 ( 6.280 -2.989 0.000) 6.955 3.121 ( 12.894 5.593 0.000) 14.054 3.157 ( -3.119 -9.083 0.000) 9.603 3.486 ( 2.410 -3.447 0.000) 4.206 3.672 ( -4.998 4.747 0.000) 6.893 3.797 ( -3.563 9.249 0.000) 9.911 3.800 ( -4.743 14.706 0.000) 15.452 3.888 ( -6.314 1.465 0.000) 6.481 4.145 ( 0.632 2.270 0.000) 2.357 4.161 ( 5.466 9.321 0.000) 10.805 4.268 ( -4.838 2.173 0.000) 5.304 4.320 ( -0.723 7.856 0.000) 7.889 4.395 ( 0.634 0.689 0.000) 0.936 4.410 ( 1.044 0.345 0.000) 1.100 4.496 ( 4.303 0.552 0.000) 4.339 4.534 ( 0.021 2.069 0.000) 2.069 4.566 ( -0.437 -4.286 0.000) 4.308 4.595 ( -3.215 -1.146 0.000) 3.413 4.796 ( 3.894 -1.888 0.000) 4.327 4.908 ( 0.833 7.349 0.000) 7.396 4.974 ( 7.748 1.558 0.000) 7.903 5.159 ( -4.093 -2.451 0.000) 4.771 5.221 ( 5.248 14.968 0.000) 15.861 5.446 ( -0.067 4.479 0.000) 4.480 5.488 ( -5.436 12.598 0.000) 13.721 5.589 ( -3.572 10.345 0.000) 10.944 6.741 ( 1.102 -0.409 0.000) 1.175 6.767 ( -0.209 -4.045 0.000) 4.051 6.883 ( 0.198 -6.287 0.000) 6.291 6.913 ( -0.878 -3.743 0.000) 3.844 7.219 ( 3.754 -3.970 0.000) 5.464 7.304 ( 0.327 -3.698 0.000) 3.712 7.365 ( 2.248 -5.845 0.000) 6.262 7.472 ( -1.623 -9.670 0.000) 9.805 7.627 ( -1.238 -7.216 0.000) 7.321 7.681 ( -4.234 -4.636 0.000) 6.278 7.751 ( 4.266 -10.434 0.000) 11.272 7.860 ( 0.562 -9.575 0.000) 9.591 8.944 ( 0.845 2.962 0.000) 3.080 9.121 ( -7.676 3.577 0.000) 8.468 9.588 ( 5.539 -7.616 0.000) 9.417 9.704 ( -0.779 -10.355 0.000) 10.384 10.218 ( 1.898 12.586 0.000) 12.729 10.287 ( 4.245 10.598 0.000) 11.417 10.388 ( -4.315 12.868 0.000) 13.572 10.455 ( -2.479 9.936 0.000) 10.241 17.068 ( -0.105 3.707 0.000) 3.708 17.068 ( -0.289 3.237 0.000) 3.250 17.134 ( 2.272 2.017 0.000) 3.038 17.254 ( -2.650 -0.830 0.000) 2.777 17.860 ( 0.598 -0.159 0.000) 0.619 17.879 ( 0.983 -0.740 0.000) 1.231 17.893 ( -0.709 -0.614 0.000) 0.938 17.914 ( -0.409 -1.361 0.000) 1.421 31.183 ( -0.016 -0.129 0.000) 0.130 31.192 ( -0.410 -0.204 0.000) 0.458 31.210 ( 0.226 -0.675 0.000) 0.712 31.210 ( 0.162 -0.819 0.000) 0.835 50.177 ( -0.457 0.711 0.000) 0.845 50.189 ( -1.608 -3.199 0.000) 3.580 50.592 ( 8.255 -12.958 0.000) 15.364 50.936 ( -5.770 -17.644 0.000) 18.563 ======================= Grid point 22 (15/63) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -7.178 10.348 0.000) 12.594 1.834 ( 7.178 10.348 0.000) 12.594 1.950 ( -5.035 18.004 0.000) 18.695 1.950 ( 5.035 18.004 0.000) 18.695 2.321 ( -4.171 11.145 0.000) 11.900 2.321 ( 4.171 11.145 0.000) 11.900 2.547 ( -4.195 3.195 0.000) 5.274 2.547 ( 4.195 3.195 0.000) 5.274 2.797 ( -10.033 2.464 0.000) 10.331 2.797 ( 10.033 2.464 0.000) 10.331 3.054 ( -2.924 -1.405 0.000) 3.244 3.054 ( 2.924 -1.405 0.000) 3.244 3.433 ( -14.502 -0.452 0.000) 14.509 3.433 ( 14.502 -0.452 0.000) 14.509 3.647 ( -9.853 0.061 0.000) 9.853 3.647 ( 9.853 0.061 0.000) 9.853 3.807 ( -2.004 12.904 0.000) 13.059 3.807 ( 2.004 12.904 0.000) 13.059 4.182 ( -3.130 1.874 0.000) 3.648 4.182 ( 3.130 1.874 0.000) 3.648 4.265 ( -4.464 11.918 0.000) 12.726 4.265 ( 4.464 11.918 0.000) 12.726 4.413 ( -0.755 2.097 0.000) 2.229 4.413 ( 0.755 2.097 0.000) 2.229 4.544 ( -1.037 -4.538 0.000) 4.655 4.544 ( 1.037 -4.538 0.000) 4.655 4.560 ( -0.787 2.136 0.000) 2.276 4.560 ( 0.787 2.136 0.000) 2.276 4.880 ( -3.840 3.464 0.000) 5.172 4.880 ( 3.840 3.464 0.000) 5.172 5.077 ( -3.392 -1.321 0.000) 3.640 5.077 ( 3.392 -1.321 0.000) 3.640 5.374 ( -7.112 14.147 0.000) 15.834 5.374 ( 7.112 14.147 0.000) 15.834 5.481 ( -4.649 5.710 0.000) 7.363 5.481 ( 4.649 5.710 0.000) 7.363 6.760 ( -0.635 -2.721 0.000) 2.794 6.760 ( 0.635 -2.721 0.000) 2.794 6.893 ( -0.855 -4.504 0.000) 4.585 6.893 ( 0.855 -4.504 0.000) 4.585 7.292 ( -2.278 -4.339 0.000) 4.901 7.292 ( 2.278 -4.339 0.000) 4.901 7.417 ( -3.101 -7.847 0.000) 8.437 7.417 ( 3.101 -7.847 0.000) 8.437 7.624 ( -1.110 -5.359 0.000) 5.472 7.624 ( 1.110 -5.359 0.000) 5.472 7.833 ( -3.148 -10.427 0.000) 10.892 7.833 ( 3.148 -10.427 0.000) 10.892 8.993 ( -4.363 3.619 0.000) 5.669 8.993 ( 4.363 3.619 0.000) 5.669 9.672 ( -2.617 -9.394 0.000) 9.752 9.672 ( 2.617 -9.394 0.000) 9.752 10.290 ( -4.778 13.002 0.000) 13.852 10.290 ( 4.778 13.002 0.000) 13.852 10.380 ( -4.567 10.259 0.000) 11.230 10.380 ( 4.567 10.259 0.000) 11.230 17.066 ( -0.030 3.500 0.000) 3.500 17.066 ( 0.030 3.500 0.000) 3.500 17.191 ( -3.228 0.847 0.000) 3.337 17.191 ( 3.228 0.847 0.000) 3.337 17.876 ( -0.896 -0.372 0.000) 0.970 17.876 ( 0.896 -0.372 0.000) 0.970 17.900 ( -0.943 -1.199 0.000) 1.526 17.900 ( 0.943 -1.199 0.000) 1.526 31.185 ( -0.224 -0.096 0.000) 0.244 31.185 ( 0.224 -0.096 0.000) 0.244 31.212 ( -0.012 -0.812 0.000) 0.812 31.212 ( 0.012 -0.812 0.000) 0.812 50.171 ( -0.134 -0.997 0.000) 1.006 50.171 ( 0.134 -0.997 0.000) 1.006 50.778 ( -9.207 -15.708 0.000) 18.208 50.778 ( 9.207 -15.708 0.000) 18.208 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.000 -0.165 0.000) 0.165 2.190 ( 0.000 3.755 0.000) 3.755 2.228 ( 0.000 3.571 0.000) 3.571 2.251 ( 0.000 7.544 0.000) 7.544 2.283 ( 0.000 -0.441 0.000) 0.441 2.432 ( 0.000 3.068 0.000) 3.068 2.654 ( 0.000 11.552 0.000) 11.552 2.745 ( 0.000 3.407 0.000) 3.407 2.759 ( 0.000 2.659 0.000) 2.659 2.759 ( 0.000 9.942 0.000) 9.942 3.070 ( 0.000 7.991 0.000) 7.991 3.084 ( 0.000 -1.088 0.000) 1.088 3.283 ( 0.000 14.134 0.000) 14.134 3.320 ( 0.000 -7.996 0.000) 7.996 3.633 ( 0.000 -12.138 0.000) 12.138 3.812 ( 0.000 -9.082 0.000) 9.082 4.102 ( 0.000 10.097 0.000) 10.097 4.139 ( 0.000 8.016 0.000) 8.016 4.177 ( 0.000 0.600 0.000) 0.600 4.292 ( 0.000 5.819 0.000) 5.819 4.361 ( 0.000 -1.728 0.000) 1.728 4.366 ( 0.000 1.208 0.000) 1.208 4.379 ( 0.000 6.911 0.000) 6.911 4.405 ( 0.000 1.301 0.000) 1.301 4.449 ( 0.000 -1.814 0.000) 1.814 4.474 ( 0.000 0.271 0.000) 0.271 4.541 ( 0.000 -3.701 0.000) 3.701 4.613 ( 0.000 -2.471 0.000) 2.471 4.703 ( 0.000 1.125 0.000) 1.125 4.889 ( 0.000 -1.270 0.000) 1.270 5.027 ( 0.000 4.609 0.000) 4.609 5.149 ( 0.000 -2.645 0.000) 2.645 5.439 ( 0.000 10.131 0.000) 10.131 5.533 ( 0.000 3.264 0.000) 3.264 5.815 ( 0.000 10.419 0.000) 10.419 5.860 ( 0.000 10.144 0.000) 10.144 6.712 ( 0.000 -1.379 0.000) 1.379 6.753 ( 0.000 1.829 0.000) 1.829 6.765 ( 0.000 -4.091 0.000) 4.091 6.856 ( 0.000 -3.067 0.000) 3.067 7.139 ( 0.000 -0.442 0.000) 0.442 7.233 ( 0.000 -4.558 0.000) 4.558 7.249 ( 0.000 -1.342 0.000) 1.342 7.329 ( 0.000 -5.806 0.000) 5.806 7.520 ( 0.000 -4.413 0.000) 4.413 7.543 ( 0.000 -5.136 0.000) 5.136 7.666 ( 0.000 -3.346 0.000) 3.346 7.681 ( 0.000 -5.188 0.000) 5.188 9.030 ( 0.000 6.682 0.000) 6.682 9.273 ( 0.000 0.735 0.000) 0.735 9.370 ( 0.000 -5.420 0.000) 5.420 9.461 ( 0.000 -13.188 0.000) 13.188 10.391 ( 0.000 6.243 0.000) 6.243 10.411 ( 0.000 6.271 0.000) 6.271 10.640 ( 0.000 6.864 0.000) 6.864 10.646 ( 0.000 6.238 0.000) 6.238 17.124 ( 0.000 1.852 0.000) 1.852 17.140 ( 0.000 3.229 0.000) 3.229 17.142 ( 0.000 1.007 0.000) 1.007 17.245 ( 0.000 -2.090 0.000) 2.090 17.853 ( 0.000 0.035 0.000) 0.035 17.860 ( 0.000 -0.304 0.000) 0.304 17.890 ( 0.000 -0.374 0.000) 0.374 17.896 ( 0.000 -0.753 0.000) 0.753 31.184 ( 0.000 0.151 0.000) 0.151 31.195 ( 0.000 -0.061 0.000) 0.061 31.196 ( 0.000 -0.441 0.000) 0.441 31.198 ( 0.000 -0.243 0.000) 0.243 50.157 ( 0.000 -1.030 0.000) 1.030 50.250 ( 0.000 5.491 0.000) 5.491 50.297 ( 0.000 -7.962 0.000) 7.962 50.660 ( 0.000 -14.792 0.000) 14.792 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -1.483 -0.179 0.000) 1.494 2.078 ( -6.710 9.057 0.000) 11.271 2.136 ( -2.870 1.721 0.000) 3.346 2.270 ( -1.029 4.347 0.000) 4.467 2.333 ( 5.910 6.360 0.000) 8.682 2.472 ( 3.044 2.920 0.000) 4.218 2.582 ( -5.476 6.461 0.000) 8.470 2.718 ( -4.783 5.410 0.000) 7.222 2.753 ( 3.949 6.390 0.000) 7.512 2.963 ( 13.129 -2.469 0.000) 13.359 2.999 ( -6.902 3.246 0.000) 7.627 3.126 ( 3.784 8.511 0.000) 9.314 3.290 ( 0.608 11.271 0.000) 11.287 3.390 ( 6.527 -6.283 0.000) 9.059 3.560 ( -7.152 -11.039 0.000) 13.153 3.745 ( -6.315 -7.963 0.000) 10.163 4.070 ( -3.169 10.469 0.000) 10.938 4.072 ( -2.078 9.728 0.000) 9.947 4.169 ( -0.016 0.704 0.000) 0.704 4.272 ( -3.895 -0.151 0.000) 3.898 4.379 ( 1.608 -1.539 0.000) 2.226 4.386 ( 1.156 -2.969 0.000) 3.186 4.423 ( 1.264 0.548 0.000) 1.378 4.423 ( 1.152 7.408 0.000) 7.497 4.452 ( 0.756 0.671 0.000) 1.010 4.477 ( 1.426 0.841 0.000) 1.655 4.563 ( 1.961 -2.730 0.000) 3.361 4.600 ( 0.067 0.334 0.000) 0.341 4.788 ( 7.290 2.811 0.000) 7.813 4.979 ( 6.440 -1.490 0.000) 6.610 5.035 ( 0.173 4.424 0.000) 4.428 5.120 ( -2.832 -1.466 0.000) 3.189 5.482 ( 4.790 9.479 0.000) 10.620 5.537 ( 0.766 4.077 0.000) 4.149 5.722 ( -7.282 10.650 0.000) 12.902 5.810 ( -5.757 8.368 0.000) 10.157 6.714 ( 0.401 -1.135 0.000) 1.203 6.748 ( -0.546 1.154 0.000) 1.277 6.776 ( 1.079 -4.146 0.000) 4.284 6.843 ( -1.273 -3.226 0.000) 3.469 7.173 ( 2.899 -0.589 0.000) 2.958 7.249 ( -0.076 -1.578 0.000) 1.580 7.263 ( 2.130 -4.354 0.000) 4.847 7.318 ( -0.998 -5.488 0.000) 5.578 7.518 ( 0.420 -3.309 0.000) 3.336 7.579 ( 3.095 -6.359 0.000) 7.072 7.608 ( -3.464 -2.108 0.000) 4.055 7.697 ( -0.530 -6.404 0.000) 6.426 9.039 ( 1.089 6.662 0.000) 6.751 9.184 ( -5.758 3.305 0.000) 6.640 9.424 ( 2.621 -8.261 0.000) 8.667 9.460 ( -0.066 -12.834 0.000) 12.834 10.416 ( 2.832 7.186 0.000) 7.724 10.457 ( 3.841 5.632 0.000) 6.817 10.593 ( -3.915 7.291 0.000) 8.276 10.623 ( -2.683 5.850 0.000) 6.435 17.124 ( 0.087 2.184 0.000) 2.185 17.137 ( -0.324 3.073 0.000) 3.090 17.159 ( 1.427 0.502 0.000) 1.513 17.230 ( -1.425 -1.586 0.000) 2.132 17.858 ( 0.478 -0.000 0.000) 0.478 17.867 ( 0.607 -0.451 0.000) 0.756 17.884 ( -0.524 -0.279 0.000) 0.594 17.893 ( -0.375 -0.765 0.000) 0.852 31.184 ( 0.047 0.185 0.000) 0.191 31.191 ( -0.248 0.073 0.000) 0.259 31.198 ( 0.114 -0.475 0.000) 0.488 31.200 ( 0.062 -0.373 0.000) 0.378 50.159 ( 0.672 0.473 0.000) 0.822 50.231 ( -1.743 4.809 0.000) 5.115 50.362 ( 5.644 -9.554 0.000) 11.096 50.614 ( -4.432 -14.103 0.000) 14.783 ======================= Grid point 27 (18/63) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -0.140 6.833 0.000) 6.835 2.000 ( 0.140 6.833 0.000) 6.835 2.202 ( -4.964 4.402 0.000) 6.634 2.202 ( 4.964 4.402 0.000) 6.634 2.467 ( -6.015 4.191 0.000) 7.331 2.467 ( 6.015 4.191 0.000) 7.331 2.576 ( -7.565 -0.106 0.000) 7.566 2.576 ( 7.565 -0.106 0.000) 7.566 2.860 ( -6.136 8.253 0.000) 10.284 2.860 ( 6.136 8.253 0.000) 10.284 3.165 ( -2.825 6.966 0.000) 7.517 3.165 ( 2.825 6.966 0.000) 7.517 3.350 ( -7.889 -5.162 0.000) 9.428 3.350 ( 7.889 -5.162 0.000) 9.428 3.582 ( -8.849 -5.583 0.000) 10.464 3.582 ( 8.849 -5.583 0.000) 10.464 4.044 ( -0.355 10.026 0.000) 10.032 4.044 ( 0.355 10.026 0.000) 10.032 4.197 ( -2.793 0.203 0.000) 2.800 4.197 ( 2.793 0.203 0.000) 2.800 4.404 ( -0.096 0.325 0.000) 0.339 4.404 ( 0.096 0.325 0.000) 0.339 4.412 ( -0.418 -4.373 0.000) 4.393 4.412 ( 0.418 -4.373 0.000) 4.393 4.492 ( -1.314 4.232 0.000) 4.432 4.492 ( 1.314 4.232 0.000) 4.432 4.597 ( -0.937 -0.506 0.000) 1.065 4.597 ( 0.937 -0.506 0.000) 1.065 4.963 ( -8.024 4.848 0.000) 9.375 4.963 ( 8.024 4.848 0.000) 9.375 5.068 ( -2.147 -0.219 0.000) 2.158 5.068 ( 2.147 -0.219 0.000) 2.158 5.586 ( -4.930 7.641 0.000) 9.094 5.586 ( 4.930 7.641 0.000) 9.094 5.642 ( -9.559 7.489 0.000) 12.144 5.642 ( 9.559 7.489 0.000) 12.144 6.730 ( -1.073 -0.241 0.000) 1.099 6.730 ( 1.073 -0.241 0.000) 1.099 6.808 ( -1.913 -3.771 0.000) 4.228 6.808 ( 1.913 -3.770 0.000) 4.228 7.230 ( -2.143 -1.496 0.000) 2.614 7.230 ( 2.143 -1.496 0.000) 2.614 7.296 ( -1.143 -4.396 0.000) 4.542 7.296 ( 1.143 -4.396 0.000) 4.542 7.546 ( -2.335 -1.991 0.000) 3.069 7.546 ( 2.335 -1.991 0.000) 3.069 7.653 ( -3.526 -7.181 0.000) 8.000 7.653 ( 3.526 -7.181 0.000) 8.000 9.085 ( -3.638 5.884 0.000) 6.918 9.085 ( 3.638 5.884 0.000) 6.918 9.455 ( -0.656 -11.388 0.000) 11.407 9.455 ( 0.656 -11.388 0.000) 11.407 10.499 ( -4.869 7.622 0.000) 9.044 10.499 ( 4.869 7.622 0.000) 9.044 10.546 ( -4.507 5.507 0.000) 7.116 10.546 ( 4.507 5.507 0.000) 7.116 17.129 ( -0.382 2.676 0.000) 2.703 17.129 ( 0.382 2.676 0.000) 2.703 17.194 ( -1.910 -0.503 0.000) 1.976 17.194 ( 1.910 -0.503 0.000) 1.976 17.871 ( -0.693 -0.116 0.000) 0.702 17.871 ( 0.693 -0.116 0.000) 0.702 17.881 ( -0.697 -0.679 0.000) 0.973 17.881 ( 0.697 -0.679 0.000) 0.973 31.186 ( -0.179 0.186 0.000) 0.258 31.186 ( 0.179 0.186 0.000) 0.258 31.200 ( -0.068 -0.479 0.000) 0.484 31.200 ( 0.068 -0.479 0.000) 0.484 50.189 ( -2.056 2.943 0.000) 3.590 50.189 ( 2.056 2.943 0.000) 3.590 50.495 ( -6.773 -12.172 0.000) 13.929 50.495 ( 6.773 -12.172 0.000) 13.929 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 0.000 -5.388 0.000) 5.388 2.098 ( 0.000 5.388 0.000) 5.388 2.267 ( 0.000 -3.384 0.000) 3.384 2.267 ( 0.000 3.384 0.000) 3.384 2.424 ( 0.000 -4.266 0.000) 4.266 2.424 ( 0.000 4.266 0.000) 4.266 2.784 ( 0.000 -0.296 0.000) 0.296 2.784 ( 0.000 0.296 0.000) 0.296 2.823 ( 0.000 -4.339 0.000) 4.339 2.823 ( 0.000 4.339 0.000) 4.339 3.132 ( 0.000 -5.372 0.000) 5.372 3.132 ( 0.000 5.372 0.000) 5.372 3.356 ( 0.000 -13.456 0.000) 13.456 3.356 ( 0.000 13.456 0.000) 13.456 3.574 ( 0.000 -13.911 0.000) 13.911 3.574 ( 0.000 13.911 0.000) 13.911 4.191 ( 0.000 -0.547 0.000) 0.547 4.191 ( 0.000 0.547 0.000) 0.547 4.254 ( 0.000 -4.029 0.000) 4.029 4.254 ( 0.000 4.029 0.000) 4.029 4.405 ( 0.000 -5.723 0.000) 5.723 4.405 ( 0.000 5.723 0.000) 5.723 4.428 ( 0.000 -4.035 0.000) 4.035 4.428 ( 0.000 4.035 0.000) 4.035 4.443 ( 0.000 -0.614 0.000) 0.614 4.443 ( 0.000 0.614 0.000) 0.614 4.541 ( 0.000 -5.108 0.000) 5.108 4.541 ( 0.000 5.108 0.000) 5.108 4.805 ( 0.000 -6.579 0.000) 6.579 4.805 ( 0.000 6.579 0.000) 6.579 5.096 ( 0.000 -2.725 0.000) 2.725 5.096 ( 0.000 2.725 0.000) 2.725 5.556 ( 0.000 -1.715 0.000) 1.715 5.556 ( 0.000 1.716 0.000) 1.716 5.948 ( 0.000 -1.598 0.000) 1.598 5.948 ( 0.000 1.598 0.000) 1.598 6.713 ( 0.000 -1.332 0.000) 1.332 6.713 ( 0.000 1.332 0.000) 1.332 6.798 ( 0.000 -2.600 0.000) 2.600 6.798 ( 0.000 2.600 0.000) 2.600 7.160 ( 0.000 -2.503 0.000) 2.503 7.160 ( 0.000 2.503 0.000) 2.503 7.252 ( 0.000 -1.872 0.000) 1.872 7.252 ( 0.000 1.872 0.000) 1.872 7.484 ( 0.000 -0.681 0.000) 0.681 7.484 ( 0.000 0.681 0.000) 0.681 7.629 ( 0.000 -0.103 0.000) 0.103 7.629 ( 0.000 0.103 0.000) 0.103 9.211 ( 0.000 -11.093 0.000) 11.093 9.211 ( 0.000 11.093 0.000) 11.093 9.294 ( 0.000 -2.069 0.000) 2.069 9.294 ( 0.000 2.069 0.000) 2.069 10.465 ( 0.000 -0.738 0.000) 0.738 10.465 ( 0.000 0.738 0.000) 0.738 10.710 ( 0.000 -0.047 0.000) 0.047 10.710 ( 0.000 0.047 0.000) 0.047 17.148 ( 0.000 -0.451 0.000) 0.451 17.148 ( 0.000 0.451 0.000) 0.451 17.199 ( 0.000 -2.585 0.000) 2.585 17.199 ( 0.000 2.585 0.000) 2.585 17.855 ( 0.000 -0.173 0.000) 0.173 17.855 ( 0.000 0.173 0.000) 0.173 17.887 ( 0.000 -0.143 0.000) 0.143 17.887 ( 0.000 0.143 0.000) 0.143 31.189 ( 0.000 -0.317 0.000) 0.317 31.189 ( 0.000 0.317 0.000) 0.317 31.195 ( 0.000 -0.092 0.000) 0.092 31.195 ( 0.000 0.092 0.000) 0.092 50.181 ( 0.000 -3.490 0.000) 3.490 50.181 ( 0.000 3.490 0.000) 3.490 50.408 ( 0.000 -10.228 0.000) 10.228 50.408 ( 0.000 10.228 0.000) 10.228 ======================= Grid point 32 (20/63) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 0.202 -2.996 0.000) 3.002 2.088 ( 0.202 2.996 0.000) 3.002 2.230 ( -3.613 -6.212 0.000) 7.186 2.230 ( -3.613 6.212 0.000) 7.186 2.464 ( 3.423 -4.148 0.000) 5.378 2.464 ( 3.423 4.148 0.000) 5.378 2.697 ( -8.540 -4.634 0.000) 9.717 2.697 ( -8.540 4.634 0.000) 9.717 2.879 ( 8.446 -5.658 0.000) 10.166 2.879 ( 8.446 5.658 0.000) 10.166 3.207 ( 0.895 -12.206 0.000) 12.239 3.207 ( 0.895 12.206 0.000) 12.239 3.326 ( 0.608 -10.783 0.000) 10.800 3.326 ( 0.608 10.783 0.000) 10.800 3.537 ( -3.634 -12.165 0.000) 12.696 3.537 ( -3.634 12.165 0.000) 12.697 4.175 ( -0.809 -1.038 0.000) 1.316 4.175 ( -0.809 1.038 0.000) 1.316 4.223 ( -2.451 -4.899 0.000) 5.478 4.223 ( -2.451 4.899 0.000) 5.478 4.391 ( -1.846 -3.109 0.000) 3.616 4.391 ( -1.846 3.109 0.000) 3.616 4.393 ( -0.969 -3.373 0.000) 3.510 4.393 ( -0.969 3.373 0.000) 3.510 4.490 ( 3.749 -2.652 0.000) 4.592 4.490 ( 3.749 2.652 0.000) 4.592 4.571 ( 1.107 -3.239 0.000) 3.423 4.571 ( 1.107 3.239 0.000) 3.423 4.902 ( 7.944 -6.070 0.000) 9.998 4.902 ( 7.944 6.070 0.000) 9.998 5.091 ( -0.726 -1.701 0.000) 1.849 5.091 ( -0.726 1.701 0.000) 1.849 5.581 ( 2.914 -0.608 0.000) 2.977 5.581 ( 2.914 0.608 0.000) 2.977 5.869 ( -7.265 -2.744 0.000) 7.766 5.869 ( -7.265 2.744 0.000) 7.766 6.719 ( 0.805 -1.528 0.000) 1.727 6.719 ( 0.805 1.528 0.000) 1.727 6.785 ( -1.336 -2.418 0.000) 2.762 6.785 ( -1.336 2.418 0.000) 2.762 7.192 ( 2.537 -2.424 0.000) 3.509 7.192 ( 2.537 2.424 0.000) 3.509 7.248 ( -0.379 -1.600 0.000) 1.644 7.248 ( -0.379 1.600 0.000) 1.644 7.500 ( 1.702 -1.512 0.000) 2.277 7.500 ( 1.702 1.512 0.000) 2.277 7.608 ( -2.039 -2.287 0.000) 3.064 7.608 ( -2.039 2.287 0.000) 3.064 9.216 ( 0.652 -10.833 0.000) 10.853 9.216 ( 0.652 10.833 0.000) 10.853 9.276 ( -1.647 -6.043 0.000) 6.263 9.276 ( -1.647 6.043 0.000) 6.263 10.502 ( 3.449 -1.146 0.000) 3.635 10.502 ( 3.449 1.147 0.000) 3.635 10.675 ( -3.289 -0.760 0.000) 3.376 10.675 ( -3.289 0.760 0.000) 3.376 17.155 ( 0.669 -0.892 0.000) 1.115 17.155 ( 0.669 0.892 0.000) 1.115 17.191 ( -0.725 -2.304 0.000) 2.415 17.191 ( -0.725 2.304 0.000) 2.415 17.860 ( 0.464 -0.210 0.000) 0.509 17.860 ( 0.464 0.210 0.000) 0.509 17.883 ( -0.407 -0.200 0.000) 0.453 17.883 ( -0.407 0.200 0.000) 0.453 31.190 ( 0.079 -0.341 0.000) 0.350 31.190 ( 0.079 0.341 0.000) 0.350 31.194 ( -0.091 -0.222 0.000) 0.240 31.194 ( -0.091 0.222 0.000) 0.240 50.214 ( 3.126 -5.053 0.000) 5.942 50.214 ( 3.126 5.053 0.000) 5.942 50.375 ( -3.083 -9.535 0.000) 10.021 50.375 ( -3.083 9.535 0.000) 10.021 ======================= Grid point 34 (21/63) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -4.479 -6.880 0.000) 8.209 2.138 ( 4.479 -6.880 0.000) 8.209 2.138 ( -4.479 6.880 0.000) 8.209 2.138 ( 4.479 6.880 0.000) 8.209 2.553 ( -5.452 -3.104 0.000) 6.274 2.553 ( 5.452 -3.104 0.000) 6.274 2.553 ( -5.452 3.104 0.000) 6.274 2.553 ( 5.452 3.104 0.000) 6.274 3.077 ( -9.850 -11.174 0.000) 14.895 3.077 ( 9.850 -11.174 0.000) 14.895 3.077 ( -9.850 11.174 0.000) 14.895 3.077 ( 9.850 11.174 0.000) 14.895 3.433 ( -6.345 -8.785 0.000) 10.837 3.433 ( 6.345 -8.785 0.000) 10.837 3.433 ( -6.345 8.785 0.000) 10.837 3.433 ( 6.345 8.785 0.000) 10.837 4.180 ( -1.375 -3.000 0.000) 3.300 4.180 ( 1.375 -3.000 0.000) 3.300 4.180 ( -1.375 3.000 0.000) 3.301 4.180 ( 1.375 3.000 0.000) 3.301 4.377 ( -0.306 -1.332 0.000) 1.366 4.377 ( 0.306 -1.332 0.000) 1.366 4.377 ( -0.306 1.332 0.000) 1.367 4.377 ( 0.306 1.332 0.000) 1.367 4.558 ( -2.343 -2.650 0.000) 3.537 4.558 ( 2.343 -2.650 0.000) 3.537 4.558 ( -2.343 2.650 0.000) 3.537 4.558 ( 2.343 2.650 0.000) 3.537 5.044 ( -4.661 -2.592 0.000) 5.333 5.044 ( 4.661 -2.592 0.000) 5.333 5.044 ( -4.661 2.592 0.000) 5.333 5.044 ( 4.661 2.592 0.000) 5.333 5.696 ( -8.267 -2.188 0.000) 8.552 5.696 ( -8.267 2.188 0.000) 8.552 5.696 ( 8.267 -2.188 0.000) 8.552 5.696 ( 8.267 2.188 0.000) 8.552 6.749 ( -1.946 -1.999 0.000) 2.789 6.749 ( 1.946 -1.999 0.000) 2.789 6.749 ( -1.946 1.999 0.000) 2.789 6.749 ( 1.946 1.999 0.000) 2.789 7.234 ( -1.255 -1.727 0.000) 2.135 7.234 ( 1.255 -1.727 0.000) 2.135 7.234 ( -1.255 1.727 0.000) 2.135 7.234 ( 1.255 1.727 0.000) 2.135 7.552 ( -3.144 -2.693 0.000) 4.140 7.552 ( 3.144 -2.694 0.000) 4.140 7.552 ( -3.144 2.694 0.000) 4.140 7.552 ( 3.144 2.694 0.000) 4.140 9.240 ( -1.620 -9.475 0.000) 9.612 9.240 ( 1.620 -9.475 0.000) 9.612 9.240 ( -1.620 9.475 0.000) 9.613 9.240 ( 1.620 9.475 0.000) 9.613 10.590 ( -4.725 -1.236 0.000) 4.884 10.590 ( -4.725 1.237 0.000) 4.884 10.590 ( 4.725 -1.236 0.000) 4.884 10.590 ( 4.725 1.237 0.000) 4.884 17.172 ( -0.983 -1.633 0.000) 1.906 17.172 ( 0.983 -1.633 0.000) 1.906 17.172 ( -0.983 1.633 0.000) 1.906 17.172 ( 0.983 1.633 0.000) 1.906 17.872 ( -0.614 -0.244 0.000) 0.660 17.872 ( -0.614 0.244 0.000) 0.660 17.872 ( 0.614 -0.244 0.000) 0.660 17.872 ( 0.614 0.244 0.000) 0.660 31.192 ( -0.120 -0.333 0.000) 0.354 31.192 ( 0.120 -0.333 0.000) 0.354 31.192 ( -0.120 0.333 0.000) 0.354 31.192 ( 0.120 0.333 0.000) 0.354 50.295 ( -4.390 -7.620 0.000) 8.794 50.295 ( 4.390 -7.620 0.000) 8.794 50.295 ( -4.390 7.620 0.000) 8.794 50.295 ( 4.390 7.620 0.000) 8.794 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 0.000 0.000 18.533) 18.533 0.553 ( 0.000 0.000 24.716) 24.716 1.043 ( 0.000 0.000 38.868) 38.868 1.373 ( 0.000 0.000 28.256) 28.256 1.435 ( 0.000 0.000 2.263) 2.263 1.711 ( 0.000 0.000 -7.137) 7.137 1.763 ( 0.000 0.000 4.026) 4.026 1.967 ( 0.000 0.000 2.899) 2.899 2.064 ( 0.000 0.000 14.061) 14.061 2.159 ( 0.000 0.000 -4.799) 4.799 2.525 ( 0.000 0.000 5.320) 5.320 2.652 ( 0.000 0.000 0.477) 0.477 2.893 ( 0.000 0.000 -10.360) 10.360 3.058 ( 0.000 0.000 -5.440) 5.440 3.125 ( 0.000 0.000 1.328) 1.328 3.430 ( 0.000 0.000 -6.208) 6.208 3.508 ( 0.000 0.000 -5.640) 5.640 3.528 ( 0.000 0.000 -8.990) 8.990 3.656 ( 0.000 0.000 2.317) 2.317 3.803 ( 0.000 0.000 -2.493) 2.493 3.961 ( 0.000 0.000 -5.018) 5.018 4.095 ( 0.000 0.000 4.699) 4.699 4.134 ( 0.000 0.000 2.588) 2.588 4.219 ( 0.000 0.000 -11.030) 11.030 4.379 ( 0.000 0.000 -0.936) 0.936 4.388 ( 0.000 0.000 -2.385) 2.385 4.412 ( 0.000 0.000 -1.297) 1.297 4.457 ( 0.000 0.000 -3.125) 3.125 4.704 ( 0.000 0.000 3.043) 3.043 4.811 ( 0.000 0.000 -4.317) 4.317 4.831 ( 0.000 0.000 -3.050) 3.050 5.117 ( 0.000 0.000 -1.114) 1.114 5.248 ( 0.000 0.000 -2.384) 2.384 5.334 ( 0.000 0.000 3.684) 3.684 5.571 ( 0.000 0.000 2.198) 2.198 5.620 ( 0.000 0.000 3.823) 3.823 6.806 ( 0.000 0.000 3.030) 3.030 7.123 ( 0.000 0.000 -3.548) 3.548 7.543 ( 0.000 0.000 1.175) 1.175 7.588 ( 0.000 0.000 1.256) 1.256 7.662 ( 0.000 0.000 -1.357) 1.357 7.685 ( 0.000 0.000 0.733) 0.733 7.749 ( 0.000 0.000 -0.581) 0.581 7.846 ( 0.000 0.000 4.877) 4.877 7.871 ( 0.000 0.000 2.161) 2.161 7.873 ( 0.000 0.000 -5.011) 5.011 8.370 ( 0.000 0.000 2.709) 2.709 8.632 ( 0.000 0.000 -1.895) 1.895 9.039 ( 0.000 0.000 1.108) 1.108 9.089 ( 0.000 0.000 6.463) 6.463 9.097 ( 0.000 0.000 0.824) 0.824 9.147 ( 0.000 0.000 -1.230) 1.230 9.169 ( 0.000 0.000 -0.642) 0.642 9.293 ( 0.000 0.000 5.092) 5.092 9.870 ( 0.000 0.000 -3.989) 3.989 9.880 ( 0.000 0.000 -9.515) 9.515 16.846 ( 0.000 0.000 0.103) 0.103 16.850 ( 0.000 0.000 0.226) 0.226 16.857 ( 0.000 0.000 -0.106) 0.106 16.863 ( 0.000 0.000 -0.074) 0.074 17.866 ( 0.000 0.000 0.272) 0.272 17.888 ( 0.000 0.000 -0.295) 0.295 17.968 ( 0.000 0.000 0.015) 0.015 18.023 ( 0.000 0.000 -1.195) 1.195 31.230 ( 0.000 0.000 0.490) 0.490 31.246 ( 0.000 0.000 -0.468) 0.468 31.265 ( 0.000 0.000 -0.186) 0.186 31.312 ( 0.000 0.000 0.197) 0.197 50.729 ( 0.000 0.000 11.646) 11.646 51.220 ( 0.000 0.000 0.231) 0.231 52.158 ( 0.000 0.000 -0.664) 0.664 52.178 ( 0.000 0.000 -0.771) 0.771 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 9.213 0.000 15.140) 17.723 0.742 ( 15.980 0.000 17.455) 23.665 1.056 ( -16.995 0.000 13.598) 21.765 1.257 ( 19.818 0.000 19.949) 28.120 1.468 ( -15.959 0.000 3.548) 16.349 1.697 ( 11.462 0.000 16.953) 20.464 1.898 ( 6.304 0.000 -5.083) 8.098 1.973 ( 5.056 0.000 13.999) 14.884 2.119 ( -3.800 0.000 -5.278) 6.504 2.156 ( 4.062 0.000 7.120) 8.198 2.459 ( -13.622 0.000 -4.986) 14.506 2.612 ( 7.510 0.000 4.742) 8.882 2.823 ( -15.080 0.000 6.266) 16.330 2.949 ( -7.274 0.000 0.084) 7.275 3.220 ( 5.652 0.000 -3.620) 6.712 3.379 ( -5.491 0.000 -7.747) 9.495 3.403 ( -2.635 0.000 -6.021) 6.573 3.430 ( -6.128 0.000 -5.667) 8.347 3.544 ( 4.128 0.000 -5.513) 6.887 4.020 ( 6.674 0.000 -11.990) 13.722 4.082 ( -5.266 0.000 -4.319) 6.810 4.100 ( 0.501 0.000 4.408) 4.436 4.128 ( -0.557 0.000 2.932) 2.985 4.236 ( 8.689 0.000 -3.903) 9.525 4.356 ( 1.492 0.000 -1.959) 2.462 4.384 ( 0.510 0.000 -1.018) 1.139 4.408 ( -0.394 0.000 -1.266) 1.326 4.473 ( 3.096 0.000 -3.449) 4.635 4.693 ( 0.131 0.000 2.238) 2.242 4.796 ( 0.766 0.000 -0.414) 0.870 4.880 ( 1.970 0.000 -1.989) 2.800 5.129 ( -6.733 0.000 -0.884) 6.791 5.280 ( 4.009 0.000 -3.919) 5.606 5.338 ( 3.106 0.000 3.340) 4.560 5.531 ( -2.702 0.000 0.627) 2.774 5.619 ( -1.564 0.000 3.039) 3.417 6.962 ( 8.742 0.000 -4.967) 10.054 7.118 ( -0.722 0.000 -3.406) 3.481 7.555 ( 1.105 0.000 1.031) 1.511 7.590 ( 0.413 0.000 -0.052) 0.416 7.628 ( -2.143 0.000 -0.067) 2.144 7.688 ( -5.359 0.000 -2.297) 5.830 7.710 ( 1.389 0.000 -0.383) 1.440 7.745 ( -0.376 0.000 -0.617) 0.722 7.901 ( 3.857 0.000 6.407) 7.479 7.978 ( -0.477 0.000 6.066) 6.085 8.483 ( 10.129 0.000 -4.129) 10.938 8.664 ( 2.522 0.000 -1.862) 3.135 9.038 ( -4.132 0.000 6.602) 7.789 9.047 ( 0.753 0.000 1.074) 1.311 9.087 ( -0.848 0.000 0.865) 1.211 9.151 ( 0.362 0.000 -1.136) 1.192 9.167 ( -0.242 0.000 -0.736) 0.775 9.207 ( -7.910 0.000 6.300) 10.113 9.928 ( 4.436 0.000 -11.199) 12.045 10.001 ( 5.725 0.000 -15.220) 16.261 16.846 ( 0.045 0.000 0.118) 0.126 16.849 ( -0.072 0.000 0.196) 0.209 16.858 ( 0.099 0.000 -0.090) 0.133 16.862 ( -0.072 0.000 -0.075) 0.104 17.878 ( 1.157 0.000 0.303) 1.196 17.926 ( 0.600 0.000 -1.127) 1.277 17.975 ( 1.562 0.000 -2.156) 2.662 18.021 ( -0.251 0.000 -1.611) 1.630 31.209 ( -0.459 0.000 -0.541) 0.710 31.234 ( -1.051 0.000 -0.355) 1.110 31.299 ( 1.540 0.000 0.625) 1.662 31.318 ( 0.312 0.000 0.596) 0.673 50.718 ( -0.176 0.000 15.134) 15.135 51.036 ( -17.290 0.000 22.842) 28.648 51.838 ( -7.576 0.000 9.057) 11.808 52.084 ( -7.152 0.000 -1.019) 7.224 ======================= Grid point 67 (24/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -11.673 0.000 14.580) 18.677 0.754 ( 11.673 0.000 14.580) 18.677 1.108 ( -18.769 0.000 9.548) 21.058 1.108 ( 18.769 0.000 9.548) 21.058 1.674 ( -15.585 0.000 3.919) 16.070 1.674 ( 15.585 0.000 3.919) 16.070 2.019 ( -5.690 0.000 -6.063) 8.315 2.019 ( 5.690 0.000 -6.063) 8.315 2.173 ( -4.618 0.000 15.576) 16.246 2.173 ( 4.618 0.000 15.576) 16.246 2.386 ( -17.208 0.000 8.416) 19.156 2.386 ( 17.208 0.000 8.416) 19.156 2.785 ( -8.738 0.000 3.011) 9.242 2.785 ( 8.738 0.000 3.011) 9.242 3.327 ( -4.717 0.000 -5.357) 7.138 3.327 ( 4.717 0.000 -5.357) 7.138 3.367 ( -1.325 0.000 -8.191) 8.298 3.367 ( 1.325 0.000 -8.191) 8.298 3.752 ( -15.157 0.000 -9.907) 18.108 3.752 ( 15.157 0.000 -9.907) 18.108 4.114 ( -0.748 0.000 3.695) 3.770 4.114 ( 0.748 0.000 3.695) 3.770 4.232 ( -5.054 0.000 0.437) 5.073 4.232 ( 5.054 0.000 0.437) 5.073 4.397 ( -0.629 0.000 -1.166) 1.325 4.397 ( 0.629 0.000 -1.166) 1.325 4.474 ( -5.180 0.000 -7.404) 9.036 4.474 ( 5.180 0.000 -7.404) 9.036 4.783 ( -6.266 0.000 -2.990) 6.943 4.783 ( 6.266 0.000 -2.990) 6.943 4.934 ( -8.501 0.000 4.648) 9.689 4.934 ( 8.501 0.000 4.648) 9.689 5.363 ( -2.916 0.000 -1.643) 3.347 5.363 ( 2.916 0.000 -1.643) 3.347 5.544 ( -4.576 0.000 1.628) 4.857 5.544 ( 4.576 0.000 1.628) 4.857 7.079 ( -3.393 0.000 -3.857) 5.137 7.079 ( 3.393 0.000 -3.857) 5.137 7.586 ( -1.901 0.000 0.613) 1.997 7.586 ( 1.901 0.000 0.613) 1.997 7.618 ( -2.378 0.000 -2.846) 3.709 7.618 ( 2.378 0.000 -2.846) 3.709 7.733 ( -0.857 0.000 -0.634) 1.066 7.733 ( 0.857 0.000 -0.634) 1.066 7.954 ( -1.355 0.000 8.522) 8.629 7.954 ( 1.355 0.000 8.522) 8.629 8.664 ( -5.318 0.000 -4.800) 7.164 8.664 ( 5.318 0.000 -4.800) 7.164 9.033 ( -6.277 0.000 8.019) 10.183 9.033 ( 6.277 0.000 8.019) 10.183 9.066 ( -1.113 0.000 0.977) 1.481 9.066 ( 1.113 0.000 0.977) 1.481 9.160 ( -0.429 0.000 -0.940) 1.033 9.160 ( 0.429 0.000 -0.940) 1.033 10.017 ( -3.120 0.000 -14.348) 14.684 10.017 ( 3.120 0.000 -14.348) 14.684 16.847 ( -0.076 0.000 0.153) 0.171 16.847 ( 0.076 0.000 0.153) 0.171 16.860 ( -0.113 0.000 -0.078) 0.137 16.860 ( 0.113 0.000 -0.078) 0.137 17.907 ( -1.552 0.000 0.239) 1.570 17.907 ( 1.552 0.000 0.239) 1.570 18.008 ( -1.130 0.000 -2.650) 2.881 18.008 ( 1.130 0.000 -2.650) 2.881 31.214 ( -0.767 0.000 -0.643) 1.001 31.214 ( 0.767 0.000 -0.643) 1.001 31.318 ( -0.390 0.000 0.977) 1.052 31.318 ( 0.390 0.000 0.977) 1.052 50.772 ( -6.854 0.000 23.997) 24.957 50.772 ( 6.854 0.000 23.997) 24.957 51.908 ( -8.800 0.000 -0.625) 8.823 51.908 ( 8.800 0.000 -0.625) 8.823 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.000 19.295 10.873) 22.147 0.685 ( 0.000 14.459 16.896) 22.238 1.347 ( 0.000 19.747 11.401) 22.802 1.386 ( 0.000 2.896 20.806) 21.007 1.544 ( 0.000 14.567 16.863) 22.284 1.776 ( 0.000 5.873 1.410) 6.040 1.863 ( 0.000 7.001 3.110) 7.660 2.073 ( 0.000 11.759 3.734) 12.338 2.110 ( 0.000 3.945 3.321) 5.157 2.323 ( 0.000 14.108 -2.419) 14.314 2.514 ( 0.000 0.475 2.953) 2.991 2.644 ( 0.000 0.110 1.677) 1.681 3.043 ( 0.000 12.251 -8.415) 14.863 3.075 ( 0.000 0.077 -10.133) 10.133 3.283 ( 0.000 14.510 2.623) 14.745 3.456 ( 0.000 2.674 -0.360) 2.698 3.537 ( 0.000 1.419 -5.706) 5.880 3.556 ( 0.000 4.139 -8.716) 9.649 3.662 ( 0.000 2.175 3.045) 3.742 3.822 ( 0.000 2.133 -1.005) 2.358 3.998 ( 0.000 4.749 -1.828) 5.089 4.181 ( 0.000 -2.967 -8.555) 9.055 4.217 ( 0.000 5.237 -0.871) 5.309 4.246 ( 0.000 9.478 -3.052) 9.957 4.383 ( 0.000 1.513 0.404) 1.566 4.387 ( 0.000 0.814 -1.361) 1.586 4.444 ( 0.000 2.356 -2.767) 3.634 4.451 ( 0.000 -0.396 -2.094) 2.131 4.711 ( 0.000 0.271 1.321) 1.348 4.777 ( 0.000 -3.149 -3.092) 4.413 4.831 ( 0.000 0.440 -1.695) 1.751 5.028 ( 0.000 -5.841 5.705) 8.165 5.251 ( 0.000 0.903 -2.777) 2.920 5.309 ( 0.000 -2.386 3.562) 4.287 5.535 ( 0.000 -3.416 2.301) 4.118 5.591 ( 0.000 -2.690 3.546) 4.451 6.794 ( 0.000 -1.033 2.908) 3.086 7.095 ( 0.000 -2.546 -3.704) 4.494 7.245 ( 0.000 -12.065 9.396) 15.292 7.490 ( 0.000 -11.929 -1.540) 12.028 7.561 ( 0.000 -2.923 1.594) 3.329 7.605 ( 0.000 -5.999 1.771) 6.255 7.712 ( 0.000 -3.902 -1.248) 4.097 7.838 ( 0.000 -0.649 1.345) 1.493 7.973 ( 0.000 4.329 0.532) 4.361 8.218 ( 0.000 6.810 -6.509) 9.420 8.255 ( 0.000 -9.102 2.251) 9.376 8.587 ( 0.000 2.181 -5.619) 6.027 8.801 ( 0.000 -17.471 7.431) 18.985 9.007 ( 0.000 -5.405 -0.753) 5.458 9.211 ( 0.000 13.930 2.713) 14.191 9.286 ( 0.000 10.423 -0.592) 10.440 9.388 ( 0.000 17.516 1.230) 17.559 9.446 ( 0.000 11.592 1.508) 11.690 9.856 ( 0.000 -1.350 -5.965) 6.116 10.124 ( 0.000 12.609 -15.351) 19.865 16.867 ( 0.000 2.011 0.199) 2.021 16.873 ( 0.000 2.258 0.333) 2.282 16.886 ( 0.000 2.735 -0.254) 2.747 17.051 ( 0.000 11.213 -11.225) 15.866 17.864 ( 0.000 -0.114 0.256) 0.280 17.886 ( 0.000 -0.191 -0.282) 0.341 17.958 ( 0.000 -0.842 0.264) 0.883 18.010 ( 0.000 -1.174 -1.069) 1.588 31.205 ( 0.000 -1.609 0.066) 1.611 31.239 ( 0.000 -0.717 -0.502) 0.875 31.256 ( 0.000 -0.767 -0.235) 0.802 31.295 ( 0.000 -1.520 -0.016) 1.520 50.662 ( 0.000 -6.636 11.087) 12.921 51.149 ( 0.000 -6.858 -0.325) 6.866 51.392 ( 0.000 -45.234 41.106) 61.121 52.039 ( 0.000 -11.363 -1.493) 11.460 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 4.756 14.742 11.431) 19.252 0.800 ( 14.012 8.299 13.069) 20.881 1.114 ( -15.207 6.623 10.813) 19.800 1.496 ( 3.131 11.880 1.758) 12.411 1.583 ( -4.105 15.433 11.272) 19.547 1.782 ( 6.151 9.286 16.964) 20.294 1.899 ( 6.356 3.366 7.977) 10.740 2.087 ( 4.105 7.559 1.334) 8.705 2.191 ( 3.469 6.087 0.910) 7.065 2.313 ( -0.279 14.885 -0.653) 14.902 2.465 ( -8.619 2.791 -3.212) 9.612 2.642 ( 2.803 3.015 5.665) 7.003 3.011 ( -8.591 16.075 2.299) 18.371 3.040 ( -3.547 5.914 -5.242) 8.663 3.279 ( 0.010 6.534 -1.840) 6.788 3.369 ( -8.707 1.692 -3.339) 9.478 3.416 ( -1.172 0.801 -5.541) 5.720 3.487 ( 0.468 3.822 -1.351) 4.080 3.622 ( 0.067 8.302 -3.730) 9.102 4.000 ( -0.661 -1.840 -13.931) 14.067 4.070 ( 1.966 0.153 1.559) 2.514 4.144 ( 2.430 1.071 0.337) 2.677 4.207 ( -2.259 7.490 0.848) 7.869 4.250 ( 2.422 1.070 -0.423) 2.681 4.355 ( 0.607 0.526 -1.364) 1.583 4.412 ( 0.921 1.808 -2.043) 2.880 4.420 ( -0.256 1.988 -2.613) 3.293 4.489 ( 4.558 2.209 -3.264) 6.026 4.702 ( 0.128 0.788 1.516) 1.714 4.783 ( 0.252 -1.153 -0.499) 1.281 4.867 ( 3.418 -0.912 0.178) 3.542 5.097 ( -2.985 -2.759 -1.266) 4.257 5.266 ( 2.355 -3.433 1.691) 4.493 5.289 ( 2.440 -1.147 0.406) 2.727 5.502 ( -2.372 -2.805 0.931) 3.789 5.581 ( -2.133 -3.506 2.772) 4.952 6.915 ( 8.210 -3.965 -2.362) 9.418 7.089 ( -0.985 -2.783 -3.511) 4.588 7.267 ( 2.519 -12.681 7.795) 15.096 7.439 ( -3.977 -11.881 0.169) 12.530 7.580 ( 1.580 -3.256 1.314) 3.850 7.625 ( 0.943 -5.536 0.522) 5.640 7.727 ( 0.995 -2.280 -1.861) 3.107 7.807 ( -3.554 0.870 -2.880) 4.656 7.955 ( 1.984 2.378 5.668) 6.459 8.125 ( -5.516 2.706 3.378) 7.011 8.392 ( 8.977 -7.513 -3.115) 12.114 8.641 ( 2.033 -0.134 -2.711) 3.391 8.795 ( 0.492 -13.330 6.329) 14.765 8.984 ( -2.796 -5.474 0.778) 6.196 9.173 ( -0.394 11.238 -0.794) 11.273 9.315 ( -0.838 13.800 -2.852) 14.116 9.380 ( -1.173 13.825 1.699) 13.978 9.397 ( -2.601 13.089 1.044) 13.386 9.923 ( 5.777 0.251 -7.418) 9.406 10.121 ( -1.329 7.768 -14.200) 16.240 16.867 ( 0.043 2.000 0.217) 2.012 16.871 ( -0.155 2.110 0.305) 2.137 16.895 ( 0.897 3.450 -0.436) 3.591 16.989 ( -4.139 9.103 -5.201) 11.271 17.876 ( 1.106 -0.166 0.282) 1.153 17.921 ( 0.902 -0.508 -1.129) 1.532 17.959 ( 1.037 -1.347 -0.976) 1.960 18.008 ( -0.355 -1.262 -1.411) 1.926 31.199 ( -0.069 -0.793 -0.640) 1.021 31.224 ( -0.931 -0.803 -0.435) 1.304 31.282 ( 1.390 -1.411 0.270) 2.000 31.300 ( 0.270 -1.610 0.284) 1.657 50.653 ( -0.255 -6.382 13.952) 15.344 50.889 ( -14.979 -12.910 26.626) 33.166 51.545 ( 10.232 -20.285 8.485) 24.253 51.962 ( -7.312 -11.508 -1.686) 13.739 ======================= Grid point 72 (27/63) ======================= q-point: (-0.50 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -9.385 10.152 11.100) 17.731 0.852 ( 9.385 10.152 11.100) 17.731 1.176 ( -20.302 5.766 6.158) 21.985 1.176 ( 20.302 5.766 6.158) 21.985 1.771 ( -8.222 8.693 7.266) 13.998 1.771 ( 8.222 8.693 7.266) 13.998 2.064 ( -7.694 6.205 -0.799) 9.916 2.064 ( 7.694 6.205 -0.799) 9.916 2.308 ( -4.113 8.835 2.031) 9.954 2.308 ( 4.113 8.835 2.031) 9.954 2.463 ( -17.372 10.335 10.434) 22.748 2.463 ( 17.372 10.335 10.434) 22.748 2.943 ( -5.031 13.588 1.895) 14.613 2.943 ( 5.031 13.588 1.895) 14.613 3.285 ( -1.152 -0.608 -6.257) 6.391 3.285 ( 1.152 -0.608 -6.257) 6.391 3.472 ( -2.959 6.334 -3.048) 7.626 3.472 ( 2.959 6.334 -3.048) 7.626 3.748 ( -12.677 0.551 -7.902) 14.948 3.748 ( 12.677 0.551 -7.902) 14.948 4.164 ( -0.851 4.133 2.415) 4.862 4.164 ( 0.851 4.133 2.415) 4.862 4.229 ( -3.818 0.125 1.265) 4.024 4.229 ( 3.818 0.125 1.265) 4.024 4.396 ( -1.421 -0.262 -1.407) 2.017 4.396 ( 1.421 -0.262 -1.407) 2.017 4.494 ( -4.701 2.101 -7.627) 9.203 4.494 ( 4.701 2.101 -7.627) 9.203 4.778 ( -4.551 -0.272 -1.790) 4.898 4.778 ( 4.551 -0.272 -1.790) 4.898 4.933 ( -7.532 0.156 4.526) 8.788 4.933 ( 7.532 0.156 4.526) 8.788 5.335 ( -0.957 -2.647 -1.510) 3.194 5.335 ( 0.957 -2.647 -1.510) 3.194 5.503 ( -3.885 -3.644 1.685) 5.586 5.503 ( 3.885 -3.644 1.685) 5.586 7.040 ( -4.037 -3.731 -3.495) 6.515 7.040 ( 4.037 -3.731 -3.495) 6.515 7.347 ( -4.768 -12.803 3.251) 14.043 7.347 ( 4.768 -12.803 3.251) 14.043 7.618 ( -1.637 -4.014 0.473) 4.361 7.618 ( 1.637 -4.014 0.473) 4.361 7.749 ( -1.628 0.391 -2.382) 2.911 7.749 ( 1.628 0.391 -2.382) 2.911 8.029 ( -4.198 1.327 5.319) 6.904 8.029 ( 4.198 1.327 5.319) 6.904 8.567 ( -7.723 -8.306 0.362) 11.348 8.567 ( 7.723 -8.306 0.362) 11.348 8.885 ( -6.436 -5.121 3.200) 8.826 8.885 ( 6.436 -5.121 3.200) 8.826 9.225 ( -4.984 11.834 -3.564) 13.326 9.225 ( 4.984 11.834 -3.564) 13.326 9.376 ( -0.675 14.117 0.706) 14.151 9.376 ( 0.675 14.117 0.706) 14.151 10.048 ( -5.598 2.989 -10.685) 12.427 10.048 ( 5.598 2.989 -10.685) 12.427 16.868 ( -0.102 2.014 0.264) 2.034 16.868 ( 0.102 2.014 0.264) 2.034 16.925 ( -2.135 5.502 -1.403) 6.066 16.925 ( 2.135 5.502 -1.403) 6.066 17.904 ( -1.489 -0.287 0.221) 1.532 17.904 ( 1.489 -0.287 0.221) 1.532 17.992 ( -1.313 -1.495 -2.133) 2.917 17.992 ( 1.313 -1.495 -2.133) 2.917 31.206 ( -0.688 -0.642 -0.666) 1.153 31.206 ( 0.688 -0.642 -0.666) 1.153 31.300 ( -0.391 -1.610 0.553) 1.747 31.300 ( 0.391 -1.610 0.553) 1.747 50.689 ( -4.889 -7.441 21.664) 23.422 50.689 ( 4.889 -7.441 21.664) 23.422 51.767 ( -11.068 -12.749 -0.600) 16.894 51.767 ( 11.068 -12.749 -0.600) 16.894 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.000 22.226 5.323) 22.855 1.071 ( 0.000 21.981 6.462) 22.911 1.542 ( 0.000 12.830 8.608) 15.450 1.615 ( 0.000 11.535 -4.901) 12.533 1.930 ( 0.000 9.038 10.311) 13.711 1.989 ( 0.000 14.803 7.025) 16.385 2.069 ( 0.000 19.548 11.854) 22.861 2.178 ( 0.000 2.276 -7.102) 7.458 2.370 ( 0.000 14.910 2.627) 15.140 2.527 ( 0.000 4.043 0.245) 4.050 2.683 ( 0.000 16.064 -1.365) 16.122 2.718 ( 0.000 9.584 5.970) 11.292 3.025 ( 0.000 -4.500 -13.518) 14.247 3.262 ( 0.000 7.355 -8.236) 11.042 3.477 ( 0.000 -1.735 3.127) 3.576 3.571 ( 0.000 10.203 4.269) 11.060 3.688 ( 0.000 14.903 1.375) 14.966 3.698 ( 0.000 10.408 -6.414) 12.226 3.804 ( 0.000 13.149 1.192) 13.203 3.920 ( 0.000 8.030 1.234) 8.124 4.092 ( 0.000 -4.620 -5.914) 7.505 4.152 ( 0.000 9.263 1.258) 9.348 4.259 ( 0.000 -0.588 0.968) 1.132 4.380 ( 0.000 3.526 -1.800) 3.959 4.405 ( 0.000 0.677 -2.801) 2.882 4.461 ( 0.000 1.987 -0.195) 1.997 4.472 ( 0.000 3.273 -3.017) 4.451 4.547 ( 0.000 9.760 0.844) 9.796 4.699 ( 0.000 -0.946 -3.252) 3.387 4.702 ( 0.000 -3.578 -1.812) 4.011 4.873 ( 0.000 3.935 1.560) 4.233 4.935 ( 0.000 -3.516 5.484) 6.515 5.252 ( 0.000 -2.651 2.985) 3.992 5.291 ( 0.000 3.115 -1.551) 3.480 5.443 ( 0.000 -5.353 2.403) 5.867 5.525 ( 0.000 -3.511 2.132) 4.108 6.769 ( 0.000 -1.320 2.552) 2.873 7.030 ( 0.000 -3.823 -3.718) 5.333 7.060 ( 0.000 -7.658 5.593) 9.483 7.250 ( 0.000 -11.493 -1.402) 11.578 7.462 ( 0.000 -7.421 3.923) 8.394 7.484 ( 0.000 -4.598 1.145) 4.739 7.595 ( 0.000 -7.041 -1.036) 7.116 7.818 ( 0.000 -2.420 -3.206) 4.017 7.932 ( 0.000 -8.165 3.914) 9.055 8.100 ( 0.000 -5.821 4.638) 7.443 8.124 ( 0.000 -9.946 -1.060) 10.003 8.419 ( 0.000 -17.003 5.597) 17.900 8.796 ( 0.000 10.803 -8.530) 13.765 8.899 ( 0.000 -4.556 -4.681) 6.532 9.505 ( 0.000 9.783 -6.683) 11.848 9.528 ( 0.000 12.275 -2.940) 12.622 9.636 ( 0.000 8.312 -1.332) 8.418 9.765 ( 0.000 18.641 2.082) 18.757 9.931 ( 0.000 11.216 5.730) 12.595 10.271 ( 0.000 3.910 -6.905) 7.935 16.922 ( 0.000 3.410 0.419) 3.435 16.935 ( 0.000 3.617 0.545) 3.658 16.957 ( 0.000 4.037 -0.499) 4.067 17.200 ( 0.000 4.107 -9.465) 10.318 17.861 ( 0.000 -0.177 0.208) 0.273 17.881 ( 0.000 -0.329 -0.247) 0.411 17.939 ( 0.000 -1.016 0.230) 1.041 17.980 ( 0.000 -1.754 -0.789) 1.923 31.182 ( 0.000 -0.633 -1.018) 1.198 31.221 ( 0.000 -0.925 -0.535) 1.068 31.237 ( 0.000 -1.012 -0.241) 1.040 31.259 ( 0.000 -1.858 -0.297) 1.882 50.477 ( 0.000 -10.516 11.140) 15.320 50.790 ( 0.000 -17.950 29.646) 34.657 50.959 ( 0.000 -11.469 -1.540) 11.572 51.731 ( 0.000 -18.330 -3.162) 18.600 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 5.334 17.192 5.332) 18.774 1.098 ( 0.832 20.720 6.120) 21.621 1.341 ( -10.966 15.436 5.215) 19.639 1.669 ( -8.204 9.567 -3.649) 13.121 1.896 ( 0.425 10.780 8.473) 13.718 1.972 ( -0.975 9.991 10.406) 14.459 2.153 ( 4.206 15.163 3.517) 16.124 2.222 ( 5.266 7.435 -0.099) 9.112 2.356 ( 7.053 9.056 0.639) 11.496 2.573 ( -6.210 8.729 -1.885) 10.877 2.672 ( 2.960 17.280 -1.833) 17.627 2.779 ( 6.391 11.598 3.677) 13.743 3.104 ( 5.513 2.074 -9.000) 10.756 3.309 ( 3.417 7.045 -4.480) 9.021 3.412 ( -9.383 6.944 -0.175) 11.674 3.449 ( -5.643 5.746 1.519) 8.196 3.528 ( -8.202 10.335 4.541) 13.954 3.651 ( -2.641 13.951 3.161) 14.546 3.818 ( -1.241 9.116 -1.547) 9.329 3.982 ( -6.690 1.965 -7.137) 9.977 4.088 ( 8.862 2.278 2.032) 9.373 4.199 ( 3.248 4.714 -0.692) 5.766 4.240 ( -1.361 -0.985 1.301) 2.125 4.347 ( -2.474 4.861 1.380) 5.626 4.372 ( -1.144 0.594 -1.519) 1.992 4.434 ( -1.718 1.590 -0.907) 2.510 4.493 ( 2.156 4.286 -5.555) 7.340 4.603 ( 2.421 8.730 -2.585) 9.421 4.704 ( 2.841 -1.444 -0.934) 3.321 4.777 ( -0.573 1.709 1.738) 2.504 4.859 ( 6.310 0.434 1.987) 6.630 5.045 ( 2.874 -1.748 -1.021) 3.515 5.180 ( -3.151 -3.682 4.924) 6.909 5.301 ( 0.508 1.565 -1.775) 2.421 5.423 ( -1.481 -4.734 1.700) 5.243 5.498 ( -2.969 -3.991 1.278) 5.136 6.836 ( 5.464 -3.450 0.684) 6.498 7.012 ( -2.063 -4.833 -2.409) 5.781 7.076 ( 1.976 -7.288 4.398) 8.739 7.213 ( -3.201 -10.170 0.619) 10.680 7.494 ( 1.972 -6.797 1.750) 7.291 7.498 ( 1.388 -4.967 1.563) 5.389 7.631 ( 3.223 -6.806 -2.120) 7.823 7.782 ( -3.337 -3.513 -4.479) 6.598 7.918 ( 0.028 -5.984 5.660) 8.236 8.030 ( -3.889 -8.400 3.519) 9.903 8.231 ( 6.510 -8.880 1.579) 11.123 8.413 ( -1.084 -16.300 5.571) 17.260 8.817 ( 1.633 7.677 -4.882) 9.244 8.888 ( -1.150 -3.590 -3.575) 5.195 9.427 ( -1.886 11.003 -8.210) 13.858 9.559 ( -3.420 6.391 -10.377) 12.658 9.642 ( 2.497 16.146 3.503) 16.710 9.738 ( -2.198 18.451 2.511) 18.751 9.999 ( 5.981 8.456 3.084) 10.806 10.237 ( -3.471 4.222 -5.341) 7.642 16.923 ( 0.027 3.391 0.426) 3.418 16.929 ( -0.313 3.479 0.552) 3.536 16.980 ( 2.064 4.531 -0.932) 5.065 17.137 ( -5.003 5.187 -6.264) 9.548 17.872 ( 0.967 -0.271 0.227) 1.029 17.907 ( 1.417 -0.838 -0.928) 1.890 17.931 ( -0.182 -1.224 0.081) 1.240 17.975 ( -0.502 -1.809 -0.992) 2.124 31.184 ( 0.237 -0.569 -0.911) 1.100 31.207 ( -0.819 -0.737 -0.498) 1.209 31.252 ( 0.824 -1.457 -0.167) 1.682 31.262 ( 0.205 -1.926 -0.199) 1.947 50.479 ( 0.477 -9.797 12.416) 15.824 50.629 ( -8.224 -11.336 20.755) 25.038 51.180 ( 13.959 -16.456 2.251) 21.696 51.655 ( -7.301 -18.079 -2.917) 19.715 ======================= Grid point 77 (30/63) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -4.980 18.162 4.390) 19.337 1.147 ( 4.980 18.162 4.390) 19.337 1.340 ( -17.139 10.758 3.068) 20.467 1.340 ( 17.139 10.758 3.068) 20.467 1.956 ( -3.245 9.372 10.104) 14.158 1.956 ( 3.245 9.372 10.104) 14.158 2.246 ( -4.135 9.386 -4.188) 11.079 2.246 ( 4.135 9.386 -4.188) 11.079 2.477 ( -3.429 8.895 -1.606) 9.667 2.477 ( 3.429 8.895 -1.606) 9.667 2.792 ( -7.779 18.754 2.669) 20.478 2.792 ( 7.779 18.754 2.669) 20.478 3.199 ( -5.763 10.146 -3.723) 12.248 3.199 ( 5.763 10.146 -3.723) 12.248 3.373 ( -5.781 8.848 3.145) 11.027 3.373 ( 5.781 8.848 3.145) 11.027 3.541 ( -8.029 1.517 0.865) 8.216 3.541 ( 8.029 1.517 0.865) 8.216 3.844 ( -4.761 9.261 -2.003) 10.604 3.844 ( 4.761 9.261 -2.003) 10.604 4.199 ( -2.643 -0.413 0.735) 2.774 4.199 ( 2.643 -0.413 0.735) 2.774 4.291 ( -3.739 4.656 1.640) 6.192 4.291 ( 3.739 4.656 1.640) 6.192 4.391 ( -2.344 0.696 -1.034) 2.655 4.391 ( 2.344 0.696 -1.034) 2.655 4.562 ( -4.167 4.474 -7.501) 9.677 4.562 ( 4.167 4.474 -7.501) 9.677 4.784 ( -0.947 0.990 1.265) 1.864 4.784 ( 0.947 0.990 1.265) 1.864 4.955 ( -5.388 2.605 3.427) 6.896 4.955 ( 5.388 2.605 3.427) 6.896 5.264 ( -5.539 -4.368 -1.032) 7.129 5.264 ( 5.539 -4.368 -1.032) 7.129 5.425 ( -2.677 -3.285 0.900) 4.332 5.425 ( 2.677 -3.285 0.900) 4.332 6.944 ( -4.560 -5.288 -1.440) 7.129 6.944 ( 4.560 -5.288 -1.440) 7.129 7.138 ( -3.791 -8.253 3.061) 9.584 7.138 ( 3.791 -8.253 3.061) 9.584 7.517 ( -0.287 -5.557 1.167) 5.686 7.517 ( 0.287 -5.557 1.167) 5.686 7.705 ( -3.800 -4.981 -4.053) 7.462 7.705 ( 3.800 -4.981 -4.053) 7.462 7.954 ( -3.217 -7.225 5.049) 9.383 7.954 ( 3.217 -7.225 5.049) 9.383 8.353 ( -4.892 -12.450 4.304) 14.052 8.353 ( 4.892 -12.450 4.304) 14.052 8.854 ( -1.990 0.977 -1.856) 2.891 8.854 ( 1.990 0.977 -1.856) 2.891 9.460 ( -4.548 9.553 -11.215) 15.419 9.460 ( 4.548 9.553 -11.215) 15.419 9.692 ( -2.248 17.458 2.932) 17.845 9.692 ( 2.248 17.458 2.932) 17.845 10.133 ( -6.436 5.569 -1.582) 8.657 10.133 ( 6.436 5.569 -1.582) 8.657 16.924 ( -0.151 3.395 0.504) 3.436 16.924 ( 0.151 3.395 0.504) 3.436 17.041 ( -3.985 5.340 -2.583) 7.146 17.041 ( 3.985 5.340 -2.583) 7.146 17.896 ( -1.319 -0.479 0.173) 1.414 17.896 ( 1.319 -0.479 0.173) 1.414 17.956 ( -1.417 -1.853 -1.260) 2.651 17.956 ( 1.417 -1.853 -1.260) 2.651 31.193 ( -0.593 -0.597 -0.639) 1.057 31.193 ( 0.593 -0.597 -0.639) 1.057 31.263 ( -0.227 -1.847 -0.093) 1.863 31.263 ( 0.227 -1.847 -0.093) 1.863 50.513 ( -3.309 -9.134 15.993) 18.712 50.513 ( 3.309 -9.134 15.993) 18.712 51.452 ( -12.214 -17.569 -1.371) 21.441 51.452 ( 12.214 -17.569 -1.371) 21.441 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.000 20.619 0.759) 20.633 1.522 ( 0.000 22.093 2.408) 22.223 1.849 ( 0.000 10.940 -4.983) 12.022 1.875 ( 0.000 18.939 -0.060) 18.939 2.100 ( 0.000 5.248 8.430) 9.930 2.229 ( 0.000 11.810 0.848) 11.840 2.235 ( 0.000 6.098 -3.354) 6.960 2.378 ( 0.000 9.526 4.923) 10.723 2.608 ( 0.000 4.270 -1.013) 4.389 2.610 ( 0.000 7.495 -0.886) 7.547 2.933 ( 0.000 -1.330 -6.445) 6.581 2.939 ( 0.000 7.444 0.330) 7.452 3.044 ( 0.000 14.814 3.261) 15.168 3.364 ( 0.000 3.854 -11.198) 11.843 3.465 ( 0.000 5.087 7.668) 9.203 3.790 ( 0.000 11.461 6.563) 13.207 3.878 ( 0.000 2.791 2.721) 3.898 3.919 ( 0.000 10.065 -1.450) 10.169 4.011 ( 0.000 2.920 3.828) 4.815 4.110 ( 0.000 8.611 2.242) 8.898 4.174 ( 0.000 12.591 -1.042) 12.634 4.265 ( 0.000 3.185 1.313) 3.445 4.286 ( 0.000 2.717 -2.865) 3.949 4.402 ( 0.000 -1.022 -2.501) 2.701 4.414 ( 0.000 0.497 -1.423) 1.507 4.517 ( 0.000 0.854 -7.577) 7.625 4.542 ( 0.000 6.672 8.406) 10.732 4.619 ( 0.000 -0.506 -1.163) 1.268 4.691 ( 0.000 3.280 -2.730) 4.267 4.802 ( 0.000 7.525 1.130) 7.609 4.875 ( 0.000 -2.400 4.017) 4.680 4.991 ( 0.000 8.002 2.753) 8.462 5.247 ( 0.000 2.749 1.122) 2.969 5.346 ( 0.000 -2.326 0.892) 2.491 5.372 ( 0.000 4.212 0.293) 4.222 5.474 ( 0.000 -0.307 -1.427) 1.460 6.747 ( 0.000 -0.808 1.962) 2.121 6.909 ( 0.000 -7.013 2.645) 7.495 6.956 ( 0.000 -3.672 -3.107) 4.810 7.033 ( 0.000 -9.973 -1.612) 10.103 7.319 ( 0.000 -6.465 3.759) 7.479 7.388 ( 0.000 -4.763 0.798) 4.829 7.450 ( 0.000 -6.984 -1.021) 7.058 7.676 ( 0.000 -10.732 -4.139) 11.503 7.789 ( 0.000 -5.623 2.091) 5.999 7.908 ( 0.000 -10.938 0.389) 10.945 7.951 ( 0.000 -9.162 5.514) 10.693 8.090 ( 0.000 -15.155 1.899) 15.273 8.847 ( 0.000 -0.455 -5.994) 6.011 8.993 ( 0.000 8.137 -9.407) 12.438 9.545 ( 0.000 -3.524 -7.152) 7.973 9.628 ( 0.000 1.695 -10.859) 10.990 9.959 ( 0.000 17.749 5.567) 18.602 10.109 ( 0.000 14.986 4.480) 15.641 10.223 ( 0.000 15.405 6.217) 16.612 10.354 ( 0.000 5.677 1.855) 5.973 16.998 ( 0.000 3.902 0.526) 3.937 17.011 ( 0.000 3.808 0.727) 3.877 17.038 ( 0.000 3.767 -0.550) 3.807 17.245 ( 0.000 0.881 -5.548) 5.618 17.858 ( 0.000 -0.174 0.149) 0.229 17.874 ( 0.000 -0.385 -0.193) 0.431 17.919 ( 0.000 -0.982 0.068) 0.985 17.944 ( 0.000 -1.701 -0.512) 1.776 31.177 ( 0.000 0.024 -0.849) 0.849 31.205 ( 0.000 -0.584 -0.395) 0.705 31.218 ( 0.000 -0.819 -0.152) 0.833 31.227 ( 0.000 -1.256 -0.250) 1.281 50.292 ( 0.000 -7.276 7.392) 10.372 50.524 ( 0.000 -10.273 16.636) 19.552 50.709 ( 0.000 -12.825 -2.532) 13.073 51.337 ( 0.000 -20.075 -4.322) 20.535 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -0.452 18.811 0.732) 18.830 1.528 ( -0.588 21.300 3.019) 21.521 1.687 ( -7.604 17.407 -0.655) 19.006 1.888 ( -11.944 11.371 -4.568) 17.112 2.094 ( 1.753 9.660 7.165) 12.155 2.195 ( -1.844 11.131 8.080) 13.878 2.291 ( 5.414 3.783 -6.316) 9.138 2.406 ( 1.689 8.093 0.788) 8.304 2.518 ( 7.881 7.045 0.726) 10.596 2.743 ( -6.142 6.507 -4.708) 10.111 2.920 ( 5.837 7.731 -3.792) 10.403 3.036 ( 6.453 4.159 -5.312) 9.335 3.218 ( 12.226 10.250 4.890) 16.687 3.375 ( 1.922 3.060 -6.284) 7.248 3.491 ( 1.745 6.635 4.841) 8.397 3.663 ( -8.672 12.064 4.463) 15.514 3.703 ( -10.725 5.434 3.913) 12.644 3.869 ( -10.427 4.868 3.502) 12.029 4.009 ( 1.882 11.955 1.612) 12.209 4.113 ( -1.331 6.464 1.186) 6.706 4.179 ( 0.374 5.277 -1.014) 5.387 4.232 ( -2.075 1.797 3.094) 4.136 4.304 ( 2.087 4.488 -2.560) 5.572 4.368 ( -1.601 0.269 -1.492) 2.205 4.415 ( 0.928 3.489 -0.254) 3.619 4.520 ( -0.751 6.317 2.287) 6.760 4.580 ( 2.192 2.610 -3.748) 5.066 4.649 ( 1.745 -2.078 0.410) 2.745 4.765 ( 2.234 5.132 -0.493) 5.619 4.849 ( 0.583 3.273 3.423) 4.772 4.899 ( 10.326 4.086 -1.072) 11.157 5.049 ( 3.464 3.102 1.878) 5.015 5.169 ( -6.224 3.863 1.255) 7.432 5.307 ( -3.837 -2.199 0.291) 4.432 5.375 ( 0.233 2.090 0.275) 2.121 5.448 ( -2.611 0.122 -2.099) 3.353 6.780 ( 2.879 -2.115 1.359) 3.822 6.895 ( -1.662 -6.352 1.258) 6.685 6.959 ( 0.855 -4.752 -1.225) 4.981 7.027 ( -0.888 -8.353 -0.451) 8.412 7.353 ( 2.965 -6.715 2.238) 7.674 7.399 ( 0.810 -4.931 0.902) 5.078 7.483 ( 2.899 -7.325 -1.473) 8.014 7.645 ( -3.086 -9.569 -4.415) 10.981 7.777 ( -0.446 -7.017 2.988) 7.640 7.852 ( -3.619 -8.811 2.629) 9.882 8.015 ( 4.255 -12.495 2.919) 13.518 8.102 ( 0.565 -13.949 2.151) 14.125 8.856 ( 1.092 0.443 -4.568) 4.718 8.965 ( -2.757 6.440 -5.208) 8.729 9.532 ( 0.028 -0.499 -11.966) 11.977 9.619 ( -1.590 0.470 -11.748) 11.864 9.995 ( 2.894 17.466 4.720) 18.322 10.093 ( -1.597 15.991 3.835) 16.522 10.232 ( 1.256 13.111 7.163) 14.993 10.334 ( -1.996 6.387 2.938) 7.308 16.997 ( -0.009 3.864 0.528) 3.900 17.004 ( -0.374 3.820 0.758) 3.913 17.065 ( 2.346 3.716 -0.989) 4.505 17.205 ( -3.486 1.906 -4.329) 5.876 17.866 ( 0.778 -0.280 0.160) 0.842 17.890 ( 1.268 -0.805 -0.517) 1.589 17.910 ( -0.692 -0.942 0.135) 1.177 17.939 ( -0.520 -1.688 -0.611) 1.869 31.178 ( 0.178 -0.038 -0.657) 0.682 31.196 ( -0.612 -0.385 -0.298) 0.782 31.226 ( 0.429 -1.065 -0.239) 1.173 31.229 ( 0.167 -1.276 -0.273) 1.315 50.303 ( 1.180 -7.159 8.101) 10.875 50.432 ( -5.427 -8.375 12.437) 15.946 50.861 ( 10.992 -15.306 -0.473) 18.850 51.269 ( -6.500 -19.532 -3.874) 20.946 ======================= Grid point 82 (33/63) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -2.682 18.511 -1.491) 18.764 1.534 ( 2.682 18.511 -1.491) 18.764 1.599 ( -6.591 15.015 2.801) 16.636 1.599 ( 6.591 15.015 2.801) 16.636 2.158 ( -3.450 10.522 7.230) 13.224 2.158 ( 3.450 10.522 7.230) 13.224 2.400 ( -3.722 5.949 -4.450) 8.309 2.400 ( 3.722 5.949 -4.450) 8.309 2.648 ( -4.332 8.327 -3.140) 9.897 2.648 ( 4.332 8.327 -3.140) 9.897 3.037 ( -6.679 2.534 -6.472) 9.639 3.037 ( 6.679 2.534 -6.472) 9.639 3.427 ( -5.567 6.342 4.244) 9.445 3.427 ( 5.567 6.342 4.244) 9.445 3.507 ( -5.323 13.437 1.709) 14.553 3.507 ( 5.323 13.437 1.709) 14.553 3.646 ( -8.018 5.698 3.943) 10.597 3.646 ( 8.018 5.698 3.943) 10.597 4.060 ( -3.289 10.921 2.255) 11.627 4.060 ( 3.289 10.921 2.255) 11.627 4.189 ( -1.323 0.089 1.386) 1.918 4.189 ( 1.323 0.089 1.386) 1.918 4.343 ( -1.243 1.680 -1.332) 2.478 4.343 ( 1.243 1.680 -1.332) 2.478 4.472 ( -3.561 6.215 1.401) 7.299 4.472 ( 3.561 6.215 1.401) 7.299 4.634 ( -2.857 1.240 -3.289) 4.529 4.634 ( 2.857 1.240 -3.289) 4.529 4.827 ( -3.269 3.486 3.017) 5.652 4.827 ( 3.269 3.486 3.017) 5.652 5.064 ( -3.419 8.036 0.626) 8.755 5.064 ( 3.419 8.036 0.626) 8.755 5.172 ( -9.317 -3.554 -0.762) 10.001 5.172 ( 9.317 -3.554 -0.762) 10.001 5.394 ( -1.970 0.506 -1.168) 2.345 5.394 ( 1.970 0.506 -1.168) 2.345 6.844 ( -3.089 -4.484 0.439) 5.463 6.844 ( 3.089 -4.484 0.439) 5.463 6.994 ( -2.143 -6.381 0.485) 6.749 6.994 ( 2.143 -6.381 0.485) 6.749 7.402 ( -1.047 -5.692 0.951) 5.865 7.402 ( 1.047 -5.692 0.951) 5.865 7.561 ( -4.581 -8.529 -3.145) 10.179 7.561 ( 4.581 -8.529 -3.145) 10.179 7.791 ( -1.938 -8.277 3.207) 9.086 7.791 ( 1.938 -8.277 3.207) 9.086 8.088 ( -2.305 -13.403 2.322) 13.797 8.088 ( 2.305 -13.403 2.322) 13.797 8.899 ( -3.077 3.148 -2.302) 4.968 8.899 ( 3.077 3.148 -2.302) 4.968 9.566 ( -2.905 0.819 -14.476) 14.787 9.566 ( 2.905 0.819 -14.476) 14.787 10.051 ( -2.404 17.249 3.961) 17.860 10.051 ( 2.404 17.249 3.961) 17.860 10.279 ( -3.038 8.823 5.668) 10.918 10.279 ( 3.038 8.823 5.668) 10.918 16.999 ( -0.165 3.834 0.667) 3.896 16.999 ( 0.165 3.834 0.667) 3.896 17.128 ( -3.707 3.234 -2.324) 5.441 17.128 ( 3.707 3.234 -2.324) 5.441 17.886 ( -1.084 -0.522 0.114) 1.209 17.886 ( 1.084 -0.522 0.114) 1.209 17.922 ( -1.200 -1.530 -0.667) 2.056 17.922 ( 1.200 -1.530 -0.667) 2.056 31.185 ( -0.455 -0.187 -0.374) 0.618 31.185 ( 0.455 -0.187 -0.374) 0.618 31.231 ( -0.049 -1.255 -0.272) 1.285 31.231 ( 0.049 -1.255 -0.272) 1.285 50.345 ( -3.107 -7.203 9.996) 12.707 50.345 ( 3.107 -7.203 9.996) 12.707 51.089 ( -10.696 -17.941 -2.377) 21.022 51.089 ( 10.696 -17.941 -2.377) 21.022 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 0.000 15.455 -3.950) 15.952 1.935 ( 0.000 18.127 0.639) 18.138 2.025 ( 0.000 6.701 -5.482) 8.658 2.124 ( 0.000 0.809 -0.954) 1.251 2.248 ( 0.000 15.486 0.981) 15.517 2.405 ( 0.000 2.075 1.065) 2.332 2.447 ( 0.000 12.958 4.780) 13.811 2.562 ( 0.000 10.434 3.134) 10.895 2.672 ( 0.000 2.698 -1.515) 3.094 2.699 ( 0.000 4.371 0.535) 4.404 3.000 ( 0.000 0.837 0.041) 0.838 3.005 ( 0.000 7.718 -2.295) 8.052 3.137 ( 0.000 -1.149 -0.141) 1.158 3.371 ( 0.000 -3.815 -9.684) 10.408 3.724 ( 0.000 10.343 5.302) 11.623 3.925 ( 0.000 1.634 4.248) 4.551 4.015 ( 0.000 6.242 6.564) 9.058 4.049 ( 0.000 6.973 5.983) 9.188 4.081 ( 0.000 6.087 2.279) 6.500 4.161 ( 0.000 1.723 0.785) 1.893 4.314 ( 0.000 3.714 1.143) 3.886 4.349 ( 0.000 2.292 0.146) 2.297 4.353 ( 0.000 1.624 -0.083) 1.626 4.386 ( 0.000 -0.341 -1.588) 1.624 4.438 ( 0.000 3.037 -0.211) 3.044 4.466 ( 0.000 -4.269 -7.282) 8.442 4.670 ( 0.000 2.973 0.238) 2.982 4.680 ( 0.000 4.592 9.227) 10.307 4.744 ( 0.000 -0.529 1.155) 1.270 4.879 ( 0.000 1.514 1.485) 2.121 4.893 ( 0.000 5.698 0.407) 5.713 5.183 ( 0.000 7.918 0.674) 7.947 5.226 ( 0.000 -0.026 1.998) 1.998 5.414 ( 0.000 1.162 -3.221) 3.425 5.518 ( 0.000 14.571 -5.074) 15.429 5.572 ( 0.000 8.793 -2.595) 9.168 6.740 ( 0.000 0.166 1.125) 1.138 6.781 ( 0.000 -5.380 0.764) 5.434 6.855 ( 0.000 -7.450 -2.011) 7.717 6.889 ( 0.000 -3.012 -2.615) 3.989 7.210 ( 0.000 -4.222 2.573) 4.944 7.300 ( 0.000 -3.808 0.231) 3.815 7.322 ( 0.000 -5.684 -1.176) 5.805 7.466 ( 0.000 -9.340 -2.018) 9.556 7.656 ( 0.000 -7.379 0.454) 7.393 7.703 ( 0.000 -9.026 1.188) 9.103 7.774 ( 0.000 -7.486 1.914) 7.726 7.825 ( 0.000 -10.803 -0.846) 10.836 8.873 ( 0.000 2.710 -5.032) 5.715 9.109 ( 0.000 3.184 -10.280) 10.762 9.459 ( 0.000 -4.632 -3.089) 5.568 9.578 ( 0.000 -5.755 -8.329) 10.124 10.277 ( 0.000 13.260 5.333) 14.293 10.351 ( 0.000 9.238 7.543) 11.926 10.504 ( 0.000 11.954 4.809) 12.885 10.516 ( 0.000 9.454 3.046) 9.933 17.073 ( 0.000 3.412 0.289) 3.424 17.083 ( 0.000 3.271 0.866) 3.384 17.103 ( 0.000 2.609 -0.379) 2.637 17.248 ( 0.000 -0.499 -2.994) 3.035 17.855 ( 0.000 -0.105 0.095) 0.142 17.866 ( 0.000 -0.359 -0.129) 0.382 17.901 ( 0.000 -0.774 -0.035) 0.775 17.914 ( 0.000 -1.275 -0.313) 1.313 31.181 ( 0.000 0.357 -0.110) 0.374 31.198 ( 0.000 -0.220 -0.060) 0.228 31.206 ( 0.000 -0.407 0.009) 0.407 31.210 ( 0.000 -0.479 0.061) 0.483 50.188 ( 0.000 -3.158 2.468) 4.008 50.358 ( 0.000 -5.962 10.048) 11.684 50.463 ( 0.000 -11.146 -2.696) 11.468 50.948 ( 0.000 -18.084 -4.368) 18.604 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -3.265 15.131 -1.752) 15.578 1.927 ( -1.500 17.360 1.596) 17.498 1.982 ( -3.689 11.005 -4.866) 12.585 2.077 ( -10.619 6.595 -2.468) 12.741 2.267 ( 4.903 6.464 3.392) 8.794 2.357 ( 1.806 5.857 -0.976) 6.206 2.442 ( -0.400 11.428 3.601) 11.988 2.561 ( -0.878 7.440 0.500) 7.508 2.660 ( 6.456 6.855 2.545) 9.754 2.870 ( 0.579 7.252 -3.944) 8.276 2.991 ( 0.527 0.640 -2.110) 2.267 3.057 ( 2.788 0.207 -4.593) 5.377 3.200 ( 6.955 -3.851 2.529) 8.343 3.435 ( 7.730 -1.691 -4.275) 8.994 3.697 ( -4.762 2.843 3.666) 6.648 3.825 ( -6.688 4.803 2.747) 8.680 3.889 ( -7.457 10.381 5.173) 13.789 3.945 ( -5.756 7.462 4.583) 10.479 4.154 ( 0.791 -0.084 0.668) 1.039 4.199 ( 3.848 8.528 2.463) 9.675 4.262 ( -3.941 3.331 -0.165) 5.163 4.325 ( 0.258 5.436 0.704) 5.487 4.367 ( 0.586 2.003 -1.037) 2.330 4.399 ( -0.161 1.675 -0.665) 1.809 4.489 ( 5.112 -0.448 0.093) 5.132 4.549 ( 4.208 0.106 0.048) 4.210 4.637 ( -2.627 1.659 1.832) 3.607 4.665 ( -1.226 3.134 7.839) 8.531 4.807 ( 4.377 -0.542 1.960) 4.826 4.913 ( 1.979 5.010 0.566) 5.416 4.966 ( 6.983 2.048 -0.791) 7.320 5.163 ( -3.010 -0.271 0.484) 3.061 5.234 ( 2.001 9.411 1.290) 9.708 5.401 ( -1.666 3.194 -3.854) 5.275 5.433 ( -4.663 10.355 -4.815) 12.335 5.554 ( -3.421 9.243 -3.262) 10.382 6.750 ( 0.850 -0.850 0.887) 1.493 6.777 ( -0.300 -4.906 0.750) 4.972 6.858 ( 0.478 -5.977 -1.848) 6.274 6.891 ( -0.124 -4.438 -1.881) 4.822 7.237 ( 2.607 -4.521 1.507) 5.432 7.307 ( 0.390 -4.044 0.254) 4.071 7.350 ( 2.236 -5.729 -1.143) 6.255 7.450 ( -1.780 -8.821 -2.008) 9.220 7.634 ( -0.871 -6.865 0.956) 6.985 7.696 ( -3.512 -6.378 0.787) 7.324 7.766 ( 3.241 -11.195 1.367) 11.735 7.856 ( 0.750 -10.557 -0.364) 10.590 8.895 ( 2.382 3.180 -3.614) 5.371 9.067 ( -3.929 3.788 -5.038) 7.428 9.465 ( 1.049 -5.355 -8.756) 10.317 9.561 ( -1.848 -5.834 -9.290) 11.124 10.309 ( 2.772 13.203 4.925) 14.362 10.359 ( 0.652 10.439 6.387) 12.255 10.483 ( -1.618 11.003 6.212) 12.739 10.500 ( -1.629 9.348 3.779) 10.213 17.072 ( -0.061 3.345 0.382) 3.367 17.078 ( -0.280 3.436 0.810) 3.541 17.125 ( 1.899 2.252 -0.691) 3.026 17.224 ( -2.117 0.158 -2.506) 3.284 17.861 ( 0.592 -0.193 0.096) 0.630 17.876 ( 0.845 -0.609 -0.253) 1.072 17.893 ( -0.637 -0.681 0.022) 0.933 17.910 ( -0.444 -1.242 -0.356) 1.366 31.182 ( 0.073 0.326 -0.037) 0.336 31.192 ( -0.386 -0.032 0.025) 0.388 31.210 ( 0.232 -0.545 -0.042) 0.594 31.211 ( 0.119 -0.541 0.022) 0.555 50.198 ( 1.064 -3.285 3.341) 4.805 50.297 ( -3.616 -4.669 7.056) 9.201 50.573 ( 8.061 -13.007 -1.228) 15.351 50.892 ( -5.333 -17.469 -3.947) 18.687 ======================= Grid point 87 (36/63) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -6.749 11.211 -0.894) 13.116 1.822 ( 6.749 11.211 -0.894) 13.116 1.947 ( -2.999 16.816 -0.464) 17.087 1.947 ( 2.999 16.816 -0.464) 17.087 2.356 ( -3.792 8.203 2.496) 9.375 2.356 ( 3.792 8.203 2.496) 9.375 2.503 ( -5.402 5.062 -2.238) 7.734 2.503 ( 5.402 5.062 -2.238) 7.734 2.813 ( -6.756 6.056 0.576) 9.091 2.813 ( 6.756 6.056 0.576) 9.091 3.000 ( -2.170 -0.547 -4.211) 4.769 3.000 ( 2.170 -0.547 -4.211) 4.769 3.458 ( -12.611 -1.968 1.553) 12.858 3.458 ( 12.611 -1.968 1.553) 12.858 3.663 ( -9.040 -2.206 1.356) 9.404 3.663 ( 9.040 -2.206 1.356) 9.404 3.848 ( -2.567 14.690 3.294) 15.272 3.848 ( 2.567 14.690 3.294) 15.272 4.183 ( -2.261 0.969 0.158) 2.465 4.183 ( 2.261 0.969 0.158) 2.465 4.294 ( -3.313 9.452 2.259) 10.267 4.294 ( 3.313 9.452 2.259) 10.267 4.386 ( -1.009 2.127 -0.872) 2.511 4.386 ( 1.009 2.127 -0.872) 2.511 4.567 ( -2.657 0.680 1.903) 3.338 4.567 ( 2.657 0.680 1.903) 3.338 4.633 ( -2.105 1.517 4.479) 5.176 4.633 ( 2.105 1.517 4.479) 5.176 4.900 ( -3.973 3.298 2.139) 5.590 4.900 ( 3.973 3.298 2.139) 5.590 5.085 ( -4.002 -1.640 0.830) 4.404 5.085 ( 4.002 -1.640 0.830) 4.404 5.310 ( -4.871 11.518 -5.267) 13.570 5.310 ( 4.871 11.518 -5.267) 13.570 5.453 ( -4.729 5.495 -2.747) 7.753 5.453 ( 4.729 5.495 -2.747) 7.753 6.767 ( -0.726 -3.039 0.599) 3.182 6.767 ( 0.726 -3.039 0.599) 3.182 6.877 ( -1.161 -5.243 -1.339) 5.535 6.877 ( 1.161 -5.243 -1.339) 5.535 7.295 ( -2.089 -4.708 0.255) 5.157 7.295 ( 2.089 -4.708 0.255) 5.157 7.399 ( -2.662 -6.914 -1.406) 7.541 7.399 ( 2.662 -6.914 -1.406) 7.541 7.639 ( -1.549 -6.389 1.193) 6.682 7.639 ( 1.549 -6.389 1.193) 6.682 7.835 ( -2.689 -11.279 0.141) 11.595 7.835 ( 2.689 -11.279 0.141) 11.595 8.971 ( -4.813 3.926 -1.605) 6.415 8.971 ( 4.813 3.926 -1.605) 6.415 9.508 ( -2.911 -5.891 -11.695) 13.415 9.508 ( 2.911 -5.891 -11.695) 13.415 10.360 ( -1.332 13.021 4.325) 13.785 10.360 ( 1.332 13.021 4.325) 13.785 10.467 ( -0.748 9.020 6.603) 11.203 10.467 ( 0.748 9.020 6.603) 11.203 17.073 ( -0.180 3.417 0.622) 3.478 17.073 ( 0.180 3.417 0.622) 3.478 17.173 ( -2.644 1.368 -1.524) 3.345 17.173 ( 2.644 1.368 -1.524) 3.345 17.877 ( -0.842 -0.405 0.054) 0.935 17.877 ( 0.842 -0.405 0.054) 0.935 17.896 ( -0.885 -1.056 -0.350) 1.422 17.896 ( 0.885 -1.056 -0.350) 1.422 31.185 ( -0.266 0.193 0.049) 0.332 31.185 ( 0.266 0.193 0.049) 0.332 31.213 ( -0.015 -0.611 -0.030) 0.612 31.213 ( 0.015 -0.611 -0.030) 0.612 50.234 ( -2.508 -3.566 5.204) 6.789 50.234 ( 2.508 -3.566 5.204) 6.789 50.747 ( -8.452 -15.688 -2.707) 18.024 50.747 ( 8.452 -15.688 -2.707) 18.024 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 0.000 3.472 0.070) 3.473 2.101 ( 0.000 2.738 -4.523) 5.287 2.191 ( 0.000 5.304 -2.778) 5.988 2.265 ( 0.000 12.207 0.833) 12.235 2.334 ( 0.000 -5.112 3.567) 6.233 2.467 ( 0.000 5.558 1.277) 5.703 2.675 ( 0.000 6.288 1.841) 6.551 2.730 ( 0.000 3.019 -0.562) 3.071 2.777 ( 0.000 5.337 1.695) 5.600 2.801 ( 0.000 9.626 2.937) 10.064 3.070 ( 0.000 -1.152 -1.378) 1.796 3.082 ( 0.000 9.071 0.949) 9.120 3.253 ( 0.000 12.627 -2.455) 12.864 3.256 ( 0.000 -6.491 -4.857) 8.107 3.663 ( 0.000 -11.291 2.717) 11.614 3.817 ( 0.000 -9.866 0.173) 9.868 4.135 ( 0.000 1.297 -2.181) 2.537 4.151 ( 0.000 4.710 3.230) 5.711 4.238 ( 0.000 8.406 6.849) 10.843 4.326 ( 0.000 -0.813 -1.853) 2.023 4.338 ( 0.000 1.577 -1.781) 2.379 4.366 ( 0.000 2.424 1.322) 2.761 4.370 ( 0.000 5.633 3.344) 6.551 4.406 ( 0.000 3.797 1.295) 4.012 4.429 ( 0.000 0.353 -1.134) 1.187 4.482 ( 0.000 0.047 1.676) 1.677 4.681 ( 0.000 -1.339 4.863) 5.044 4.705 ( 0.000 -2.981 11.874) 12.243 4.723 ( 0.000 1.855 1.727) 2.534 4.884 ( 0.000 -1.376 -0.392) 1.430 5.018 ( 0.000 5.215 -0.904) 5.292 5.152 ( 0.000 -2.658 0.265) 2.671 5.400 ( 0.000 7.573 -3.180) 8.213 5.452 ( 0.000 2.355 -6.794) 7.190 5.762 ( 0.000 8.614 -4.821) 9.872 5.777 ( 0.000 9.444 -7.279) 11.923 6.704 ( 0.000 -2.073 -0.600) 2.158 6.738 ( 0.000 -3.180 -1.932) 3.721 6.758 ( 0.000 0.661 0.216) 0.695 6.835 ( 0.000 -2.385 -1.685) 2.920 7.154 ( 0.000 -1.261 1.240) 1.769 7.222 ( 0.000 -4.174 -0.896) 4.269 7.243 ( 0.000 -1.643 -0.380) 1.687 7.314 ( 0.000 -5.621 -1.331) 5.777 7.531 ( 0.000 -4.278 1.021) 4.398 7.557 ( 0.000 -5.280 1.211) 5.417 7.657 ( 0.000 -4.145 -0.781) 4.218 7.663 ( 0.000 -5.239 -1.563) 5.467 8.949 ( 0.000 4.817 -5.710) 7.471 9.124 ( 0.000 -1.484 -10.684) 10.787 9.374 ( 0.000 -3.276 -0.097) 3.278 9.440 ( 0.000 -6.767 -2.203) 7.117 10.480 ( 0.000 6.785 5.699) 8.861 10.496 ( 0.000 5.160 7.774) 9.330 10.683 ( 0.000 6.262 2.711) 6.824 10.690 ( 0.000 6.227 3.645) 7.215 17.127 ( 0.000 1.861 0.198) 1.872 17.141 ( 0.000 1.155 -0.120) 1.161 17.145 ( 0.000 2.843 0.448) 2.878 17.229 ( 0.000 -1.329 -1.392) 1.925 17.854 ( 0.000 0.009 0.046) 0.047 17.860 ( 0.000 -0.269 -0.064) 0.277 17.889 ( 0.000 -0.395 -0.089) 0.405 17.894 ( 0.000 -0.703 -0.194) 0.729 31.188 ( 0.000 0.268 0.353) 0.443 31.194 ( 0.000 -0.152 0.121) 0.194 31.202 ( 0.000 0.026 0.332) 0.333 31.206 ( 0.000 -0.036 0.552) 0.553 50.154 ( 0.000 -0.554 0.194) 0.587 50.275 ( 0.000 -7.355 -1.933) 7.605 50.304 ( 0.000 1.000 4.243) 4.359 50.624 ( 0.000 -13.863 -3.240) 14.237 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.25 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -2.594 7.888 -2.219) 8.595 2.082 ( -2.345 2.063 1.243) 3.361 2.195 ( -2.105 5.316 0.784) 5.771 2.206 ( -2.278 4.992 -2.139) 5.890 2.350 ( 5.335 5.397 1.368) 7.711 2.478 ( 0.614 4.660 -0.453) 4.722 2.616 ( -4.643 4.360 2.556) 6.863 2.693 ( -2.877 3.967 -0.670) 4.945 2.815 ( 1.662 8.063 4.048) 9.174 2.953 ( 8.325 -0.757 -1.126) 8.435 3.001 ( -1.701 2.984 0.109) 3.437 3.116 ( 2.054 8.172 -0.845) 8.469 3.260 ( 1.206 8.825 -2.283) 9.195 3.350 ( 7.376 -5.697 -3.197) 9.853 3.591 ( -6.629 -10.027 2.682) 12.316 3.739 ( -7.024 -8.501 -0.573) 11.043 4.111 ( -1.963 6.215 1.814) 6.766 4.122 ( -2.307 6.344 3.272) 7.502 4.179 ( -1.698 3.849 1.854) 4.598 4.255 ( -3.876 -0.296 -1.357) 4.118 4.369 ( 1.126 1.623 1.648) 2.573 4.375 ( 1.486 2.417 -1.411) 3.169 4.426 ( 1.090 0.606 0.488) 1.339 4.445 ( 1.084 4.292 0.627) 4.471 4.458 ( 3.960 1.673 2.246) 4.851 4.551 ( 5.631 -2.144 4.168) 7.326 4.631 ( -3.305 -0.582 6.290) 7.129 4.700 ( -1.174 -1.462 8.179) 8.391 4.806 ( 7.405 2.816 2.169) 8.214 4.971 ( 6.551 -1.036 -0.715) 6.670 5.031 ( 0.645 4.649 -0.491) 4.719 5.129 ( -2.441 -1.541 0.691) 2.969 5.433 ( 3.296 7.220 -4.463) 9.106 5.458 ( 1.475 3.326 -6.280) 7.258 5.655 ( -7.803 9.774 -6.037) 13.887 5.740 ( -5.323 7.014 -6.156) 10.743 6.708 ( 0.533 -1.800 -0.467) 1.935 6.743 ( 0.130 -1.257 -1.118) 1.687 6.758 ( 0.333 -2.029 -0.675) 2.164 6.822 ( -1.291 -2.808 -1.653) 3.505 7.180 ( 2.307 -1.119 0.596) 2.632 7.243 ( 0.485 -2.474 -0.787) 2.641 7.254 ( 1.759 -3.382 -0.352) 3.829 7.308 ( -0.597 -5.118 -0.871) 5.226 7.526 ( 0.174 -3.362 0.779) 3.455 7.586 ( 2.138 -6.439 0.680) 6.818 7.602 ( -2.723 -2.762 -0.552) 3.917 7.681 ( -0.393 -6.621 -1.354) 6.770 8.980 ( 2.975 5.172 -4.215) 7.305 9.122 ( -0.967 1.608 -6.098) 6.381 9.342 ( -1.629 -5.900 -4.215) 7.432 9.418 ( -2.379 -7.407 -3.944) 8.723 10.512 ( 2.867 6.773 5.688) 9.298 10.522 ( 2.328 5.718 6.617) 9.050 10.655 ( -2.423 6.130 4.087) 7.755 10.665 ( -2.395 5.931 3.656) 7.367 17.127 ( 0.135 2.102 0.279) 2.124 17.141 ( -0.321 2.746 0.374) 2.790 17.155 ( 1.207 0.748 -0.276) 1.447 17.216 ( -1.204 -0.936 -1.189) 1.934 17.859 ( 0.463 -0.033 0.035) 0.466 17.866 ( 0.555 -0.389 -0.114) 0.688 17.883 ( -0.490 -0.314 -0.054) 0.584 17.890 ( -0.379 -0.698 -0.205) 0.820 31.189 ( 0.074 0.327 0.381) 0.508 31.193 ( -0.087 0.109 0.264) 0.298 31.203 ( 0.053 -0.189 0.266) 0.331 31.205 ( -0.041 -0.153 0.471) 0.497 50.166 ( 1.389 0.034 0.823) 1.615 50.259 ( -1.930 0.831 1.655) 2.675 50.352 ( 4.778 -8.386 -0.292) 9.656 50.580 ( -4.149 -13.285 -2.975) 14.232 ======================= Grid point 92 (39/63) ======================= q-point: (-0.50 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -2.104 7.919 1.073) 8.264 2.010 ( 2.104 7.919 1.073) 8.264 2.189 ( -1.365 5.156 -1.434) 5.524 2.189 ( 1.365 5.156 -1.434) 5.524 2.469 ( -4.163 4.288 0.163) 5.979 2.469 ( 4.163 4.288 0.163) 5.979 2.584 ( -4.907 1.369 1.017) 5.195 2.584 ( 4.907 1.369 1.017) 5.195 2.887 ( -4.744 6.521 2.081) 8.328 2.887 ( 4.744 6.521 2.081) 8.328 3.125 ( -2.999 7.883 -3.258) 9.041 3.125 ( 2.999 7.883 -3.258) 9.041 3.361 ( -8.377 -5.693 0.643) 10.149 3.361 ( 8.377 -5.693 0.643) 10.149 3.572 ( -7.975 -6.331 -0.539) 10.197 3.572 ( 7.975 -6.331 -0.539) 10.197 4.089 ( -0.456 8.636 3.120) 9.194 4.089 ( 0.456 8.636 3.120) 9.194 4.192 ( -2.192 0.145 -0.354) 2.225 4.192 ( 2.192 0.145 -0.354) 2.225 4.384 ( -0.514 0.830 0.337) 1.033 4.384 ( 0.514 0.830 0.337) 1.033 4.446 ( -0.764 2.632 0.779) 2.849 4.446 ( 0.764 2.632 0.779) 2.849 4.551 ( -4.533 -0.013 4.397) 6.315 4.551 ( 4.533 -0.013 4.397) 6.315 4.649 ( -3.810 -1.934 5.617) 7.057 4.649 ( 3.810 -1.934 5.617) 7.057 4.977 ( -7.200 4.412 1.214) 8.531 4.977 ( 7.200 4.412 1.214) 8.531 5.072 ( -2.923 -0.309 0.361) 2.961 5.072 ( 2.923 -0.309 0.361) 2.961 5.502 ( -4.915 7.755 -6.967) 11.525 5.502 ( 4.915 7.755 -6.967) 11.525 5.586 ( -8.208 5.491 -5.237) 11.178 5.586 ( 8.208 5.490 -5.237) 11.178 6.728 ( -1.192 -0.804 -0.217) 1.454 6.728 ( 1.192 -0.804 -0.217) 1.454 6.786 ( -1.996 -3.611 -1.736) 4.476 6.786 ( 1.996 -3.611 -1.736) 4.476 7.229 ( -1.896 -1.588 -0.145) 2.478 7.229 ( 1.896 -1.588 -0.145) 2.478 7.289 ( -1.305 -4.114 -0.528) 4.348 7.289 ( 1.305 -4.114 -0.528) 4.348 7.548 ( -1.933 -2.455 0.153) 3.129 7.548 ( 1.933 -2.455 0.153) 3.129 7.646 ( -2.798 -7.290 -0.573) 7.830 7.646 ( 2.798 -7.290 -0.573) 7.830 9.061 ( -4.459 5.295 -1.768) 7.144 9.061 ( 4.459 5.295 -1.768) 7.144 9.357 ( -2.829 -8.462 -7.342) 11.555 9.357 ( 2.829 -8.462 -7.342) 11.555 10.566 ( -0.361 7.372 4.651) 8.724 10.566 ( 0.361 7.372 4.651) 8.724 10.613 ( -0.654 4.958 5.474) 7.415 10.613 ( 0.654 4.958 5.474) 7.415 17.133 ( -0.402 2.474 0.354) 2.532 17.133 ( 0.402 2.474 0.354) 2.532 17.185 ( -1.626 -0.081 -0.734) 1.786 17.185 ( 1.626 -0.081 -0.734) 1.786 17.871 ( -0.653 -0.151 -0.006) 0.670 17.871 ( 0.653 -0.151 -0.006) 0.670 17.879 ( -0.656 -0.603 -0.179) 0.909 17.879 ( 0.656 -0.603 -0.179) 0.909 31.191 ( -0.118 0.353 0.393) 0.542 31.191 ( 0.118 0.353 0.393) 0.542 31.204 ( -0.070 -0.312 0.310) 0.446 31.204 ( 0.070 -0.312 0.310) 0.446 50.209 ( -2.634 1.192 1.716) 3.362 50.209 ( 2.634 1.192 1.716) 3.362 50.470 ( -6.202 -11.611 -2.137) 13.336 50.470 ( 6.202 -11.611 -2.137) 13.336 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 0.000 -1.977 0.311) 2.002 2.110 ( 0.000 1.977 0.311) 2.002 2.253 ( 0.000 -1.674 0.451) 1.734 2.253 ( 0.000 1.674 0.451) 1.734 2.458 ( 0.000 -5.634 1.625) 5.864 2.458 ( 0.000 5.634 1.625) 5.864 2.735 ( 0.000 -1.715 -2.224) 2.808 2.735 ( 0.000 1.716 -2.224) 2.808 2.890 ( 0.000 -2.631 3.955) 4.750 2.890 ( 0.000 2.631 3.955) 4.750 3.109 ( 0.000 -5.968 -2.254) 6.379 3.109 ( 0.000 5.968 -2.254) 6.379 3.341 ( 0.000 -12.116 -0.438) 12.124 3.341 ( 0.000 12.116 -0.438) 12.124 3.580 ( 0.000 -11.596 0.026) 11.596 3.580 ( 0.000 11.596 0.026) 11.596 4.160 ( 0.000 -1.362 -1.869) 2.312 4.160 ( 0.000 1.362 -1.869) 2.312 4.314 ( 0.000 -1.255 1.811) 2.203 4.314 ( 0.000 1.255 1.811) 2.203 4.397 ( 0.000 -4.957 2.681) 5.636 4.397 ( 0.000 4.957 2.681) 5.636 4.425 ( 0.000 -0.703 -0.046) 0.704 4.425 ( 0.000 0.703 -0.046) 0.704 4.473 ( 0.000 -4.361 1.741) 4.696 4.473 ( 0.000 4.361 1.741) 4.696 4.651 ( 0.000 -0.267 9.388) 9.392 4.651 ( 0.000 0.267 9.388) 9.392 4.814 ( 0.000 -5.306 0.689) 5.351 4.814 ( 0.000 5.306 0.689) 5.351 5.097 ( 0.000 -2.999 -0.020) 2.999 5.097 ( 0.000 2.999 -0.020) 2.999 5.479 ( 0.000 -0.585 -6.477) 6.503 5.479 ( 0.000 0.585 -6.477) 6.503 5.866 ( 0.000 -0.745 -7.210) 7.249 5.866 ( 0.000 0.745 -7.210) 7.249 6.694 ( 0.000 -0.875 -1.490) 1.728 6.694 ( 0.000 0.875 -1.490) 1.728 6.791 ( 0.000 -2.012 -0.603) 2.100 6.791 ( 0.000 2.012 -0.603) 2.100 7.160 ( 0.000 -1.832 0.043) 1.832 7.160 ( 0.000 1.832 0.043) 1.832 7.242 ( 0.000 -1.649 -0.896) 1.876 7.242 ( 0.000 1.649 -0.896) 1.876 7.495 ( 0.000 -0.729 1.068) 1.293 7.495 ( 0.000 0.729 1.068) 1.293 7.612 ( 0.000 -0.049 -1.445) 1.446 7.612 ( 0.000 0.049 -1.445) 1.446 9.055 ( 0.000 -5.041 -8.961) 10.282 9.055 ( 0.000 5.041 -8.961) 10.282 9.351 ( 0.000 -1.498 1.325) 1.999 9.351 ( 0.000 1.498 1.325) 1.999 10.549 ( 0.000 -0.180 6.683) 6.686 10.549 ( 0.000 0.180 6.683) 6.686 10.750 ( 0.000 -0.253 2.918) 2.929 10.750 ( 0.000 0.253 2.918) 2.929 17.149 ( 0.000 -0.351 0.101) 0.366 17.149 ( 0.000 0.351 0.101) 0.366 17.194 ( 0.000 -2.084 -0.331) 2.110 17.194 ( 0.000 2.084 -0.331) 2.110 17.855 ( 0.000 -0.143 -0.006) 0.143 17.855 ( 0.000 0.143 -0.006) 0.143 17.886 ( 0.000 -0.117 -0.130) 0.175 17.886 ( 0.000 0.117 -0.130) 0.175 31.192 ( 0.000 -0.115 0.256) 0.281 31.192 ( 0.000 0.115 0.256) 0.281 31.204 ( 0.000 -0.118 0.711) 0.720 31.204 ( 0.000 0.118 0.711) 0.720 50.172 ( 0.000 -2.804 -0.665) 2.881 50.172 ( 0.000 2.804 -0.665) 2.881 50.399 ( 0.000 -8.209 -0.669) 8.236 50.399 ( 0.000 8.209 -0.669) 8.236 ======================= Grid point 97 (41/63) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 0.605 -0.371 1.383) 1.554 2.109 ( 0.605 0.371 1.383) 1.554 2.225 ( -2.704 -1.228 0.263) 2.982 2.225 ( -2.704 1.228 0.263) 2.982 2.483 ( 2.322 -4.557 0.797) 5.176 2.483 ( 2.322 4.557 0.797) 5.176 2.689 ( -6.281 -3.481 -0.465) 7.197 2.689 ( -6.281 3.481 -0.465) 7.197 2.909 ( 6.137 -3.882 2.653) 7.732 2.909 ( 6.137 3.882 2.653) 7.732 3.173 ( 1.402 -10.405 -3.083) 10.942 3.173 ( 1.402 10.405 -3.083) 10.942 3.325 ( 0.554 -10.140 0.285) 10.159 3.325 ( 0.554 10.140 0.285) 10.159 3.531 ( -4.525 -10.587 -0.610) 11.530 3.531 ( -4.525 10.587 -0.610) 11.530 4.157 ( 0.246 -1.187 -0.926) 1.525 4.157 ( 0.246 1.187 -0.926) 1.525 4.247 ( -4.039 -1.424 0.773) 4.351 4.247 ( -4.038 1.424 0.773) 4.351 4.426 ( 0.392 -2.605 2.035) 3.329 4.426 ( 0.392 2.605 2.035) 3.329 4.452 ( -0.406 -3.658 3.415) 5.021 4.452 ( -0.406 3.658 3.415) 5.021 4.484 ( 4.448 -3.425 1.927) 5.935 4.484 ( 4.448 3.425 1.927) 5.935 4.642 ( -1.456 -2.349 6.847) 7.383 4.642 ( -1.456 2.349 6.847) 7.383 4.908 ( 7.781 -5.040 0.524) 9.285 4.908 ( 7.781 5.040 0.524) 9.286 5.096 ( -0.520 -2.047 0.276) 2.130 5.096 ( -0.520 2.047 0.276) 2.130 5.502 ( 2.789 -0.393 -6.718) 7.285 5.502 ( 2.789 0.393 -6.718) 7.285 5.787 ( -7.207 -2.502 -7.121) 10.436 5.787 ( -7.207 2.502 -7.121) 10.436 6.702 ( 0.934 -1.029 -1.378) 1.957 6.702 ( 0.934 1.029 -1.378) 1.957 6.776 ( -1.524 -1.833 -0.757) 2.501 6.776 ( -1.524 1.833 -0.757) 2.501 7.189 ( 2.322 -1.884 -0.284) 3.004 7.189 ( 2.322 1.884 -0.284) 3.004 7.243 ( 0.001 -1.456 -0.435) 1.519 7.243 ( 0.001 1.456 -0.435) 1.519 7.507 ( 1.233 -1.459 0.653) 2.019 7.507 ( 1.233 1.459 0.653) 2.019 7.594 ( -1.776 -1.997 -1.238) 2.945 7.594 ( -1.776 1.997 -1.238) 2.945 9.092 ( 3.591 -5.023 -7.401) 9.639 9.092 ( 3.591 5.023 -7.401) 9.639 9.302 ( -4.505 -3.034 -0.115) 5.432 9.302 ( -4.505 3.034 -0.115) 5.432 10.581 ( 2.879 -0.120 6.157) 6.798 10.581 ( 2.879 0.120 6.157) 6.798 10.722 ( -2.645 -0.298 3.490) 4.390 10.722 ( -2.645 0.298 3.490) 4.390 17.155 ( 0.602 -0.716 0.044) 0.937 17.155 ( 0.602 0.716 0.044) 0.937 17.188 ( -0.647 -1.859 -0.261) 1.985 17.188 ( -0.647 1.859 -0.261) 1.985 17.860 ( 0.438 -0.170 -0.029) 0.471 17.860 ( 0.438 0.170 -0.029) 0.471 17.881 ( -0.391 -0.160 -0.117) 0.438 17.881 ( -0.391 0.160 -0.117) 0.438 31.193 ( 0.172 -0.119 0.326) 0.388 31.193 ( 0.172 0.120 0.326) 0.388 31.202 ( -0.177 -0.122 0.648) 0.682 31.202 ( -0.177 0.122 0.648) 0.682 50.206 ( 3.121 -4.061 -0.671) 5.165 50.206 ( 3.121 4.061 -0.671) 5.165 50.366 ( -3.089 -7.655 -0.674) 8.282 50.366 ( -3.089 7.655 -0.674) 8.282 ======================= Grid point 99 (42/63) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -2.547 -5.939 1.302) 6.592 2.154 ( 1.048 -5.824 1.302) 6.059 2.154 ( -1.048 5.824 1.302) 6.059 2.154 ( 2.548 5.939 1.302) 6.592 2.559 ( -4.922 -3.356 0.455) 5.974 2.559 ( 0.142 -2.283 0.455) 2.332 2.559 ( -0.142 2.283 0.455) 2.332 2.559 ( 4.922 3.356 0.455) 5.974 3.078 ( -8.379 -10.015 0.015) 13.058 3.078 ( 8.049 -9.947 0.015) 12.796 3.078 ( -8.049 9.947 0.015) 12.796 3.078 ( 8.379 10.015 0.015) 13.058 3.415 ( -6.112 -8.567 -1.274) 10.600 3.415 ( 5.601 -8.479 -1.274) 10.241 3.415 ( -5.601 8.479 -1.274) 10.241 3.415 ( 6.112 8.567 -1.274) 10.600 4.182 ( -1.926 -1.545 0.077) 2.471 4.182 ( -0.131 -1.210 0.077) 1.220 4.182 ( 0.131 1.210 0.077) 1.220 4.182 ( 1.926 1.545 0.077) 2.471 4.435 ( -0.662 -3.223 3.381) 4.718 4.435 ( 0.660 -3.223 3.381) 4.717 4.435 ( -0.660 3.223 3.381) 4.717 4.435 ( 0.662 3.223 3.381) 4.718 4.583 ( -4.263 -3.125 3.773) 6.494 4.583 ( 4.135 -3.081 3.773) 6.390 4.583 ( -4.135 3.081 3.773) 6.390 4.583 ( 4.263 3.125 3.773) 6.495 5.049 ( -4.749 -2.325 0.420) 5.304 5.049 ( -0.978 0.078 0.420) 1.067 5.049 ( 0.978 -0.078 0.420) 1.067 5.049 ( 4.749 2.325 0.420) 5.305 5.615 ( -8.186 -2.651 -6.965) 11.070 5.615 ( -7.454 2.040 -6.965) 10.404 5.615 ( 7.454 -2.040 -6.965) 10.404 5.615 ( 8.186 2.651 -6.965) 11.070 6.735 ( -2.129 -1.470 -1.107) 2.814 6.735 ( 1.422 -1.239 -1.107) 2.187 6.735 ( -1.422 1.239 -1.107) 2.187 6.735 ( 2.129 1.471 -1.107) 2.814 7.231 ( -1.330 -1.632 -0.270) 2.122 7.231 ( 1.001 -1.572 -0.270) 1.883 7.231 ( -1.001 1.572 -0.270) 1.883 7.231 ( 1.330 1.632 -0.270) 2.122 7.547 ( -2.483 -2.446 -0.407) 3.509 7.547 ( 2.188 -2.375 -0.407) 3.254 7.547 ( -2.188 2.375 -0.407) 3.255 7.547 ( 2.483 2.446 -0.407) 3.509 9.191 ( -4.423 -7.373 -3.694) 9.358 9.191 ( 1.501 -7.073 -3.694) 8.120 9.191 ( -1.501 7.073 -3.694) 8.120 9.191 ( 4.423 7.373 -3.694) 9.358 10.653 ( -3.421 -0.727 4.846) 5.976 10.653 ( -3.208 -0.420 4.846) 5.826 10.653 ( 3.208 0.420 4.846) 5.826 10.653 ( 3.421 0.727 4.846) 5.976 17.171 ( -0.879 -1.323 -0.103) 1.592 17.171 ( 0.873 -1.322 -0.103) 1.588 17.171 ( -0.873 1.322 -0.103) 1.588 17.171 ( 0.879 1.323 -0.103) 1.592 17.871 ( -0.584 -0.196 -0.078) 0.620 17.871 ( -0.561 0.178 -0.078) 0.594 17.871 ( 0.561 -0.178 -0.078) 0.594 17.871 ( 0.584 0.196 -0.078) 0.620 31.198 ( -0.160 -0.303 0.490) 0.598 31.198 ( 0.002 -0.293 0.490) 0.571 31.198 ( -0.002 0.293 0.490) 0.571 31.198 ( 0.160 0.304 0.490) 0.599 50.286 ( -4.244 -6.481 -0.678) 7.776 50.286 ( 3.829 -6.416 -0.678) 7.502 50.286 ( -3.829 6.416 -0.678) 7.502 50.286 ( 4.244 6.481 -0.678) 7.776 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 0.000 17.116) 17.116 1.060 ( 0.000 0.000 21.458) 21.458 1.114 ( 0.000 0.000 -11.959) 11.959 1.466 ( 0.000 0.000 -15.332) 15.332 1.880 ( 0.000 0.000 6.442) 6.442 2.010 ( 0.000 0.000 26.080) 26.080 2.028 ( 0.000 0.000 -6.775) 6.775 2.062 ( 0.000 0.000 18.826) 18.826 2.142 ( 0.000 0.000 25.582) 25.582 2.279 ( 0.000 0.000 -0.082) 0.082 2.554 ( 0.000 0.000 -9.580) 9.580 2.686 ( 0.000 0.000 9.021) 9.021 2.720 ( 0.000 0.000 -5.629) 5.629 2.893 ( 0.000 0.000 -9.260) 9.260 3.181 ( 0.000 0.000 3.879) 3.879 3.191 ( 0.000 0.000 -15.462) 15.462 3.269 ( 0.000 0.000 -14.013) 14.013 3.291 ( 0.000 0.000 -6.020) 6.020 3.681 ( 0.000 0.000 -0.216) 0.216 3.707 ( 0.000 0.000 -3.683) 3.683 3.959 ( 0.000 0.000 2.912) 2.912 4.030 ( 0.000 0.000 -4.478) 4.478 4.187 ( 0.000 0.000 2.824) 2.824 4.192 ( 0.000 0.000 2.047) 2.047 4.358 ( 0.000 0.000 -0.544) 0.544 4.369 ( 0.000 0.000 0.203) 0.203 4.374 ( 0.000 0.000 -1.808) 1.808 4.395 ( 0.000 0.000 -2.157) 2.157 4.738 ( 0.000 0.000 -0.618) 0.618 4.741 ( 0.000 0.000 -1.692) 1.692 4.851 ( 0.000 0.000 5.153) 5.153 4.996 ( 0.000 0.000 -7.367) 7.367 5.268 ( 0.000 0.000 2.391) 2.391 5.326 ( 0.000 0.000 -2.633) 2.633 5.653 ( 0.000 0.000 3.465) 3.465 5.680 ( 0.000 0.000 1.053) 1.053 6.896 ( 0.000 0.000 5.110) 5.110 7.018 ( 0.000 0.000 -5.688) 5.688 7.578 ( 0.000 0.000 1.950) 1.950 7.623 ( 0.000 0.000 -2.049) 2.049 7.634 ( 0.000 0.000 3.217) 3.217 7.706 ( 0.000 0.000 1.140) 1.140 7.731 ( 0.000 0.000 -1.059) 1.059 7.735 ( 0.000 0.000 -5.994) 5.994 7.926 ( 0.000 0.000 2.368) 2.368 7.940 ( 0.000 0.000 1.796) 1.796 8.457 ( 0.000 0.000 5.140) 5.140 8.567 ( 0.000 0.000 -4.242) 4.242 9.071 ( 0.000 0.000 1.804) 1.804 9.112 ( 0.000 0.000 -1.850) 1.850 9.121 ( 0.000 0.000 1.279) 1.279 9.149 ( 0.000 0.000 -1.196) 1.196 9.263 ( 0.000 0.000 8.728) 8.728 9.389 ( 0.000 0.000 0.431) 0.431 9.690 ( 0.000 0.000 -4.068) 4.068 9.753 ( 0.000 0.000 -6.177) 6.177 16.849 ( 0.000 0.000 0.200) 0.200 16.854 ( 0.000 0.000 -0.189) 0.189 16.855 ( 0.000 0.000 0.258) 0.258 16.860 ( 0.000 0.000 -0.177) 0.177 17.873 ( 0.000 0.000 0.354) 0.354 17.881 ( 0.000 0.000 -0.369) 0.369 17.974 ( 0.000 0.000 0.569) 0.569 17.994 ( 0.000 0.000 -1.262) 1.262 31.236 ( 0.000 0.000 -0.075) 0.075 31.237 ( 0.000 0.000 -0.276) 0.276 31.276 ( 0.000 0.000 1.285) 1.285 31.304 ( 0.000 0.000 -0.986) 0.986 51.005 ( 0.000 0.000 11.694) 11.694 51.184 ( 0.000 0.000 -4.463) 4.463 52.147 ( 0.000 0.000 -0.111) 0.111 52.157 ( 0.000 0.000 -0.950) 0.950 ======================= Grid point 131 (44/63) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 6.950 0.000 12.997) 14.739 1.094 ( -1.512 0.000 -6.000) 6.188 1.146 ( 7.852 0.000 18.022) 19.658 1.457 ( -2.181 0.000 -8.128) 8.416 1.760 ( -9.966 0.000 21.149) 23.380 1.835 ( -2.409 0.000 2.524) 3.489 1.970 ( -5.132 0.000 -7.708) 9.260 2.067 ( -12.973 0.000 -1.238) 13.032 2.240 ( 8.643 0.000 11.713) 14.556 2.332 ( 5.419 0.000 6.080) 8.145 2.537 ( 7.366 0.000 19.003) 20.380 2.750 ( 5.411 0.000 7.486) 9.237 2.876 ( 4.518 0.000 -4.679) 6.504 2.903 ( 0.103 0.000 -5.285) 5.286 3.151 ( -1.256 0.000 -7.996) 8.094 3.178 ( 0.197 0.000 1.300) 1.315 3.266 ( -2.327 0.000 -5.869) 6.314 3.314 ( -0.743 0.000 -12.852) 12.874 3.409 ( -12.109 0.000 1.598) 12.214 3.605 ( -8.148 0.000 -15.829) 17.803 4.122 ( 8.400 0.000 2.335) 8.719 4.167 ( 9.964 0.000 -2.206) 10.206 4.189 ( 0.124 0.000 2.770) 2.773 4.192 ( 0.019 0.000 2.241) 2.241 4.356 ( -1.933 0.000 1.526) 2.463 4.360 ( 0.219 0.000 -0.783) 0.813 4.372 ( -0.241 0.000 -1.673) 1.690 4.407 ( 0.433 0.000 -2.755) 2.789 4.694 ( -1.510 0.000 -0.842) 1.729 4.727 ( -0.874 0.000 -3.375) 3.486 4.891 ( 2.486 0.000 3.603) 4.377 5.021 ( -1.014 0.000 -7.172) 7.243 5.301 ( 3.998 0.000 3.838) 5.542 5.369 ( 4.840 0.000 -1.566) 5.087 5.586 ( -5.442 0.000 3.941) 6.719 5.646 ( -3.927 0.000 -0.858) 4.020 6.943 ( 3.729 0.000 2.148) 4.303 7.024 ( 0.229 0.000 -4.676) 4.682 7.584 ( 0.578 0.000 1.575) 1.678 7.598 ( -2.356 0.000 0.959) 2.544 7.616 ( -0.656 0.000 -1.127) 1.304 7.635 ( -5.246 0.000 -2.348) 5.748 7.710 ( 0.363 0.000 0.481) 0.603 7.727 ( -0.320 0.000 -0.952) 1.004 8.024 ( 6.164 0.000 3.873) 7.279 8.055 ( 6.876 0.000 1.031) 6.953 8.490 ( 4.023 0.000 3.873) 5.584 8.593 ( 2.087 0.000 -4.531) 4.988 9.078 ( 0.635 0.000 1.724) 1.837 9.110 ( -0.510 0.000 0.471) 0.694 9.121 ( 0.347 0.000 -0.864) 0.931 9.144 ( -0.437 0.000 -1.291) 1.363 9.200 ( -4.867 0.000 7.646) 9.063 9.304 ( -7.463 0.000 0.380) 7.473 9.722 ( 2.728 0.000 -4.409) 5.185 9.774 ( 1.222 0.000 -7.099) 7.203 16.850 ( 0.058 0.000 0.195) 0.203 16.853 ( -0.063 0.000 0.029) 0.070 16.856 ( 0.069 0.000 0.033) 0.077 16.860 ( -0.064 0.000 -0.165) 0.177 17.887 ( 1.279 0.000 0.516) 1.379 17.902 ( 1.633 0.000 -0.894) 1.862 17.964 ( -0.784 0.000 0.447) 0.903 17.985 ( -0.854 0.000 -1.443) 1.676 31.205 ( -1.174 0.000 0.269) 1.205 31.219 ( -1.309 0.000 -0.828) 1.549 31.313 ( 1.901 0.000 0.649) 2.009 31.324 ( 1.139 0.000 -0.185) 1.154 51.052 ( 4.691 0.000 12.979) 13.800 51.217 ( 1.842 0.000 -1.369) 2.295 51.983 ( -11.868 0.000 4.187) 12.585 52.049 ( -8.843 0.000 -2.240) 9.123 ======================= Grid point 132 (45/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -6.364 0.000 7.846) 10.102 1.018 ( 6.364 0.000 7.846) 10.102 1.334 ( -9.216 0.000 8.588) 12.597 1.334 ( 9.216 0.000 8.588) 12.597 1.771 ( -11.064 0.000 1.923) 11.230 1.771 ( 11.064 0.000 1.923) 11.230 1.859 ( -4.606 0.000 -6.730) 8.156 1.859 ( 4.606 0.000 -6.730) 8.156 2.389 ( -3.214 0.000 7.723) 8.366 2.389 ( 3.214 0.000 7.723) 8.366 2.752 ( -13.080 0.000 16.147) 20.780 2.752 ( 13.080 0.000 16.147) 20.780 2.860 ( -4.422 0.000 2.941) 5.310 2.860 ( 4.422 0.000 2.941) 5.310 3.179 ( -3.499 0.000 -4.688) 5.850 3.179 ( 3.499 0.000 -4.688) 5.850 3.209 ( -2.737 0.000 -4.111) 4.939 3.209 ( 2.737 0.000 -4.111) 4.939 3.446 ( -6.678 0.000 -16.252) 17.571 3.446 ( 6.678 0.000 -16.252) 17.571 4.191 ( -0.117 0.000 2.576) 2.579 4.191 ( 0.117 0.000 2.576) 2.579 4.267 ( -4.617 0.000 2.526) 5.263 4.267 ( 4.617 0.000 2.526) 5.263 4.350 ( -5.688 0.000 -4.170) 7.053 4.350 ( 5.688 0.000 -4.170) 7.053 4.366 ( -0.331 0.000 -1.281) 1.323 4.366 ( 0.331 0.000 -1.281) 1.323 4.707 ( -1.704 0.000 -2.578) 3.091 4.707 ( 1.704 0.000 -2.578) 3.091 4.950 ( -3.854 0.000 -1.232) 4.047 4.950 ( 3.854 0.000 -1.232) 4.047 5.418 ( -5.331 0.000 4.439) 6.937 5.418 ( 5.331 0.000 4.439) 6.937 5.536 ( -5.188 0.000 -1.993) 5.557 5.536 ( 5.188 0.000 -1.993) 5.557 7.008 ( -2.104 0.000 -1.979) 2.888 7.008 ( 2.104 0.000 -1.979) 2.888 7.575 ( -0.663 0.000 -1.024) 1.220 7.575 ( 0.663 0.000 -1.024) 1.220 7.600 ( -0.863 0.000 0.467) 0.981 7.600 ( 0.863 0.000 0.467) 0.981 7.719 ( -0.477 0.000 -0.480) 0.677 7.719 ( 0.477 0.000 -0.480) 0.677 8.111 ( -1.331 0.000 4.514) 4.706 8.111 ( 1.331 0.000 4.514) 4.706 8.595 ( -3.657 0.000 -1.673) 4.022 8.595 ( 3.657 0.000 -1.673) 4.022 9.095 ( -0.893 0.000 1.462) 1.713 9.095 ( 0.893 0.000 1.462) 1.713 9.132 ( -0.644 0.000 -1.439) 1.577 9.132 ( 0.644 0.000 -1.439) 1.577 9.164 ( -3.537 0.000 3.426) 4.924 9.164 ( 3.537 0.000 3.426) 4.924 9.773 ( -1.586 0.000 -6.320) 6.516 9.773 ( 1.586 0.000 -6.320) 6.516 16.851 ( -0.083 0.000 0.162) 0.182 16.851 ( 0.083 0.000 0.162) 0.182 16.858 ( -0.092 0.000 -0.116) 0.148 16.858 ( 0.092 0.000 -0.116) 0.148 17.914 ( -0.938 0.000 0.325) 0.993 17.914 ( 0.938 0.000 0.325) 0.993 17.963 ( -1.062 0.000 -1.259) 1.647 17.963 ( 1.062 0.000 -1.259) 1.647 31.199 ( -0.455 0.000 -0.454) 0.643 31.199 ( 0.455 0.000 -0.454) 0.643 31.334 ( -0.207 0.000 0.410) 0.459 31.334 ( 0.207 0.000 0.410) 0.459 51.177 ( -6.074 0.000 10.426) 12.066 51.177 ( 6.074 0.000 10.426) 12.066 51.886 ( -4.044 0.000 -1.039) 4.175 51.886 ( 4.044 0.000 -1.039) 4.175 ======================= Grid point 135 (46/63) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.000 11.707 13.532) 17.894 1.075 ( 0.000 4.997 11.644) 12.671 1.257 ( 0.000 10.316 -2.796) 10.689 1.517 ( 0.000 4.026 -12.315) 12.956 1.961 ( 0.000 5.885 6.010) 8.412 1.996 ( 0.000 1.566 20.452) 20.512 2.097 ( 0.000 3.447 -5.319) 6.338 2.153 ( 0.000 9.850 13.023) 16.329 2.232 ( 0.000 6.689 16.485) 17.790 2.369 ( 0.000 10.185 1.045) 10.239 2.562 ( 0.000 -4.327 2.128) 4.822 2.594 ( 0.000 5.145 -6.262) 8.105 2.878 ( 0.000 -0.183 -3.314) 3.319 2.931 ( 0.000 11.723 -1.011) 11.767 3.280 ( 0.000 9.036 -15.024) 17.532 3.298 ( 0.000 3.506 -12.616) 13.094 3.356 ( 0.000 15.282 3.809) 15.749 3.427 ( 0.000 11.068 -2.330) 11.311 3.700 ( 0.000 2.669 1.280) 2.960 3.757 ( 0.000 5.000 -3.766) 6.260 4.006 ( 0.000 4.884 1.328) 5.061 4.032 ( 0.000 0.279 -2.293) 2.310 4.246 ( 0.000 3.810 1.678) 4.163 4.257 ( 0.000 5.137 1.198) 5.275 4.360 ( 0.000 0.281 -0.479) 0.555 4.381 ( 0.000 1.097 -1.034) 1.507 4.394 ( 0.000 3.173 -0.947) 3.312 4.408 ( 0.000 1.944 -1.510) 2.462 4.714 ( 0.000 -2.324 -0.815) 2.462 4.716 ( 0.000 -2.434 -1.625) 2.927 4.873 ( 0.000 2.034 4.731) 5.149 4.993 ( 0.000 -0.344 -5.516) 5.526 5.257 ( 0.000 -0.568 2.111) 2.186 5.308 ( 0.000 -1.608 -2.199) 2.724 5.616 ( 0.000 -3.608 3.436) 4.982 5.645 ( 0.000 -3.335 0.825) 3.436 6.880 ( 0.000 -1.465 4.789) 5.008 6.993 ( 0.000 -2.257 -5.298) 5.759 7.386 ( 0.000 -11.827 4.010) 12.489 7.448 ( 0.000 -11.608 -2.185) 11.812 7.618 ( 0.000 -3.693 3.487) 5.079 7.650 ( 0.000 -3.151 2.726) 4.167 7.678 ( 0.000 -4.591 -1.974) 4.997 7.751 ( 0.000 -0.974 -5.996) 6.075 8.086 ( 0.000 9.910 5.518) 11.343 8.147 ( 0.000 11.317 -1.349) 11.397 8.315 ( 0.000 -11.213 3.966) 11.894 8.444 ( 0.000 -6.807 -7.052) 9.801 8.942 ( 0.000 -15.344 5.021) 16.144 9.000 ( 0.000 -9.969 -0.581) 9.986 9.245 ( 0.000 11.993 0.303) 11.996 9.256 ( 0.000 8.415 -1.337) 8.520 9.419 ( 0.000 14.181 1.463) 14.257 9.452 ( 0.000 6.544 -1.265) 6.665 9.788 ( 0.000 9.599 1.416) 9.703 9.894 ( 0.000 11.584 -7.369) 13.729 16.872 ( 0.000 2.194 0.295) 2.214 16.879 ( 0.000 2.429 -0.341) 2.452 16.887 ( 0.000 2.914 0.939) 3.062 16.922 ( 0.000 5.330 -2.747) 5.996 17.871 ( 0.000 -0.144 0.343) 0.373 17.879 ( 0.000 -0.165 -0.359) 0.395 17.965 ( 0.000 -0.766 0.554) 0.946 17.984 ( 0.000 -0.914 -1.150) 1.469 31.217 ( 0.000 -1.749 0.594) 1.847 31.227 ( 0.000 -0.929 -0.484) 1.048 31.259 ( 0.000 -1.252 0.803) 1.487 31.284 ( 0.000 -1.776 -1.062) 2.069 50.923 ( 0.000 -7.799 11.225) 13.668 51.101 ( 0.000 -7.916 -4.807) 9.261 51.866 ( 0.000 -24.735 9.784) 26.600 51.989 ( 0.000 -14.671 -3.263) 15.029 ======================= Grid point 136 (47/63) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 4.775 8.964 10.175) 14.377 1.086 ( 1.107 3.117 4.692) 5.741 1.264 ( 0.630 7.894 8.402) 11.546 1.492 ( -4.033 3.235 -5.707) 7.700 1.832 ( -3.148 6.997 8.373) 11.356 1.943 ( -6.210 8.450 3.166) 10.954 2.067 ( -3.625 6.640 -2.471) 7.958 2.116 ( -6.123 6.645 4.531) 10.108 2.304 ( 4.178 6.280 6.480) 9.944 2.351 ( 1.113 2.166 -1.243) 2.734 2.577 ( 8.330 4.491 16.630) 19.134 2.721 ( 5.644 0.058 -0.358) 5.656 2.912 ( 2.665 3.384 0.223) 4.313 3.044 ( 5.949 11.838 -0.707) 13.267 3.232 ( -1.320 5.238 -6.718) 8.620 3.279 ( -4.062 5.084 -6.867) 9.461 3.335 ( -4.856 12.030 2.111) 13.143 3.418 ( -0.023 10.431 -4.593) 11.398 3.532 ( -6.598 10.670 -1.748) 12.667 3.646 ( -7.934 4.704 -12.334) 15.402 4.124 ( 6.896 0.780 1.845) 7.181 4.144 ( 7.706 -0.532 -0.309) 7.731 4.241 ( -0.404 3.976 2.078) 4.504 4.264 ( 0.684 4.147 0.547) 4.239 4.351 ( -1.615 0.253 0.794) 1.817 4.376 ( -0.850 0.820 -1.422) 1.849 4.382 ( -0.343 1.765 -0.283) 1.820 4.422 ( 0.059 2.205 -2.969) 3.699 4.695 ( 0.569 0.146 -0.436) 0.731 4.732 ( 0.928 0.525 -3.214) 3.386 4.898 ( 1.998 0.771 3.765) 4.332 5.014 ( -0.781 -0.532 -5.826) 5.902 5.284 ( 3.231 -1.332 2.829) 4.496 5.334 ( 3.406 -3.131 -0.705) 4.680 5.554 ( -4.967 -3.063 3.487) 6.798 5.607 ( -4.116 -3.709 -0.709) 5.586 6.922 ( 3.417 -1.882 2.421) 4.591 6.999 ( 0.232 -2.263 -4.245) 4.816 7.383 ( -0.091 -11.424 3.229) 11.872 7.428 ( -1.733 -11.054 -1.186) 11.252 7.620 ( 0.294 -2.720 2.362) 3.615 7.646 ( -0.465 -3.009 1.017) 3.210 7.690 ( 0.693 -3.542 -1.366) 3.859 7.722 ( -1.783 -0.349 -3.814) 4.224 8.100 ( 1.794 3.669 5.597) 6.929 8.164 ( -0.553 4.091 -0.342) 4.142 8.400 ( 8.783 -5.945 4.014) 11.340 8.531 ( 6.688 -2.385 -6.665) 9.739 8.937 ( -0.339 -13.970 5.820) 15.137 8.998 ( -0.366 -9.690 0.152) 9.698 9.161 ( -5.504 5.838 0.117) 8.025 9.224 ( -5.202 7.456 -5.136) 10.441 9.410 ( -0.791 15.317 0.781) 15.357 9.414 ( -2.175 11.019 0.434) 11.240 9.823 ( 2.894 9.497 -0.221) 9.930 9.900 ( 0.071 10.685 -6.634) 12.577 16.873 ( 0.123 2.244 0.355) 2.275 16.880 ( -0.042 2.533 0.133) 2.537 16.888 ( 0.235 2.966 0.187) 2.981 16.913 ( -0.754 4.725 -2.021) 5.194 17.885 ( 1.213 -0.219 0.486) 1.325 17.898 ( 1.541 -0.317 -0.817) 1.772 17.956 ( -0.800 -0.759 0.476) 1.201 17.976 ( -0.843 -0.901 -1.305) 1.796 31.197 ( -0.858 -0.802 0.327) 1.219 31.209 ( -1.109 -0.778 -0.746) 1.547 31.290 ( 1.676 -1.982 0.497) 2.643 31.300 ( 0.973 -2.071 -0.330) 2.312 50.964 ( 4.015 -8.330 12.338) 15.418 51.122 ( 0.725 -9.052 -0.953) 9.131 51.766 ( -6.497 -19.079 8.831) 22.005 51.901 ( -7.767 -13.719 -4.108) 16.292 ======================= Grid point 137 (48/63) ======================= q-point: (-0.50 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -4.526 5.292 6.666) 9.640 1.068 ( 4.526 5.292 6.666) 9.640 1.342 ( -8.746 1.779 6.529) 11.058 1.342 ( 8.746 1.779 6.529) 11.058 1.898 ( -6.217 10.691 2.401) 12.598 1.898 ( 6.217 10.691 2.401) 12.598 1.958 ( -2.828 8.665 -5.553) 10.673 1.958 ( 2.828 8.665 -5.553) 10.673 2.390 ( -2.206 0.891 5.451) 5.948 2.390 ( 2.206 0.891 5.451) 5.948 2.743 ( -5.028 1.918 6.609) 8.523 2.743 ( 5.028 1.918 6.609) 8.523 2.987 ( -7.451 8.448 5.562) 12.563 2.987 ( 7.451 8.448 5.562) 12.563 3.222 ( -4.826 8.563 1.647) 9.966 3.222 ( 4.826 8.563 1.647) 9.966 3.356 ( -6.655 8.504 -7.511) 13.154 3.356 ( 6.655 8.504 -7.511) 13.154 3.519 ( -3.627 8.762 -10.092) 13.849 3.519 ( 3.627 8.762 -10.092) 13.849 4.219 ( -2.215 1.889 2.317) 3.721 4.219 ( 2.215 1.889 2.317) 3.721 4.274 ( -2.739 1.294 2.176) 3.730 4.274 ( 2.739 1.294 2.176) 3.730 4.337 ( -4.217 -0.860 -3.821) 5.755 4.337 ( 4.217 -0.860 -3.821) 5.755 4.385 ( -1.128 1.639 -1.902) 2.753 4.385 ( 1.128 1.639 -1.902) 2.753 4.734 ( -1.574 2.838 -1.454) 3.556 4.734 ( 1.574 2.838 -1.454) 3.556 4.951 ( -3.527 0.168 -1.094) 3.696 4.951 ( 3.527 0.168 -1.094) 3.696 5.376 ( -3.424 -3.989 3.275) 6.194 5.376 ( 3.424 -3.989 3.275) 6.194 5.504 ( -3.762 -2.879 -1.121) 4.868 5.504 ( 3.762 -2.879 -1.121) 4.868 6.984 ( -2.047 -2.248 -1.410) 3.351 6.984 ( 2.047 -2.248 -1.410) 3.351 7.394 ( -1.250 -10.789 0.980) 10.905 7.394 ( 1.250 -10.789 0.980) 10.905 7.631 ( -0.762 -1.919 0.714) 2.185 7.631 ( 0.762 -1.919 0.714) 2.185 7.701 ( -0.546 -1.976 -1.658) 2.636 7.701 ( 0.546 -1.976 -1.658) 2.636 8.138 ( -1.637 -0.370 3.379) 3.773 8.138 ( 1.637 -0.370 3.379) 3.773 8.577 ( -5.198 -1.907 0.335) 5.547 8.577 ( 5.198 -1.907 0.335) 5.547 8.964 ( -3.317 -9.405 3.884) 10.702 8.964 ( 3.317 -9.405 3.884) 10.702 9.108 ( -2.355 2.719 -5.880) 6.893 9.108 ( 2.355 2.719 -5.880) 6.893 9.397 ( -0.228 15.337 0.837) 15.362 9.397 ( 0.228 15.337 0.837) 15.362 9.880 ( -2.151 9.650 -3.805) 10.594 9.880 ( 2.151 9.650 -3.805) 10.594 16.877 ( -0.191 2.407 0.457) 2.458 16.877 ( 0.191 2.407 0.457) 2.458 16.898 ( -0.686 3.637 -0.918) 3.813 16.898 ( 0.686 3.637 -0.918) 3.813 17.911 ( -0.911 -0.329 0.309) 1.017 17.911 ( 0.911 -0.329 0.309) 1.017 17.953 ( -1.037 -0.859 -1.102) 1.740 17.953 ( 1.037 -0.859 -1.102) 1.740 31.193 ( -0.415 -0.545 -0.394) 0.790 31.193 ( 0.415 -0.545 -0.394) 0.790 31.309 ( -0.214 -2.232 0.239) 2.254 31.309 ( 0.214 -2.232 0.239) 2.254 51.071 ( -5.460 -9.790 10.280) 15.210 51.071 ( 5.460 -9.790 10.280) 15.210 51.745 ( -5.215 -13.109 -1.077) 14.149 51.745 ( 5.215 -13.109 -1.077) 14.149 ======================= Grid point 140 (49/63) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 0.000 17.448 8.177) 19.269 1.276 ( 0.000 14.250 8.920) 16.811 1.487 ( 0.000 12.018 -4.051) 12.682 1.614 ( 0.000 6.279 -6.649) 9.146 2.063 ( 0.000 4.344 5.506) 7.013 2.083 ( 0.000 6.767 3.742) 7.733 2.192 ( 0.000 6.761 6.024) 9.055 2.338 ( 0.000 4.658 -0.464) 4.681 2.402 ( 0.000 11.512 5.397) 12.714 2.517 ( 0.000 0.487 -1.896) 1.958 2.656 ( 0.000 15.411 0.205) 15.412 2.737 ( 0.000 6.487 -7.259) 9.735 2.959 ( 0.000 8.853 11.090) 14.191 3.112 ( 0.000 5.332 -4.712) 7.115 3.401 ( 0.000 7.714 -3.431) 8.442 3.527 ( 0.000 14.719 -9.840) 17.705 3.692 ( 0.000 14.592 2.384) 14.786 3.715 ( 0.000 17.559 0.535) 17.567 3.833 ( 0.000 11.763 2.719) 12.073 3.904 ( 0.000 9.152 -2.602) 9.514 4.044 ( 0.000 1.083 2.816) 3.017 4.132 ( 0.000 5.927 -3.252) 6.760 4.280 ( 0.000 0.028 1.323) 1.324 4.324 ( 0.000 1.152 -2.789) 3.017 4.376 ( 0.000 1.771 0.369) 1.809 4.402 ( 0.000 0.831 -2.348) 2.491 4.514 ( 0.000 8.729 2.927) 9.207 4.553 ( 0.000 11.323 -0.582) 11.338 4.650 ( 0.000 -3.584 -1.483) 3.879 4.653 ( 0.000 -2.971 -1.239) 3.219 4.928 ( 0.000 3.363 2.989) 4.499 4.978 ( 0.000 -1.184 -0.962) 1.526 5.271 ( 0.000 2.369 -0.232) 2.380 5.275 ( 0.000 -1.153 -0.245) 1.179 5.515 ( 0.000 -6.077 3.243) 6.888 5.554 ( 0.000 -5.506 -0.034) 5.506 6.843 ( 0.000 -2.048 4.027) 4.518 6.937 ( 0.000 -3.099 -4.452) 5.425 7.166 ( 0.000 -10.201 3.523) 10.792 7.217 ( 0.000 -11.178 -1.621) 11.295 7.514 ( 0.000 -6.143 1.872) 6.422 7.560 ( 0.000 -6.779 -2.120) 7.103 7.565 ( 0.000 -5.400 5.206) 7.500 7.692 ( 0.000 -4.883 -6.372) 8.028 8.074 ( 0.000 -11.520 4.927) 12.529 8.114 ( 0.000 -9.892 -0.223) 9.894 8.224 ( 0.000 0.964 8.533) 8.587 8.449 ( 0.000 -5.174 -7.971) 9.503 8.659 ( 0.000 -4.125 1.998) 4.583 8.778 ( 0.000 -9.253 -6.227) 11.153 9.386 ( 0.000 4.887 -3.266) 5.878 9.395 ( 0.000 3.227 -4.431) 5.482 9.716 ( 0.000 18.013 4.429) 18.549 9.779 ( 0.000 19.344 -1.069) 19.374 10.044 ( 0.000 14.683 4.745) 15.431 10.144 ( 0.000 12.425 -4.794) 13.318 16.932 ( 0.000 3.596 0.476) 3.627 16.944 ( 0.000 3.807 -0.616) 3.856 16.961 ( 0.000 4.213 2.083) 4.700 17.036 ( 0.000 5.335 -5.195) 7.446 17.867 ( 0.000 -0.234 0.311) 0.390 17.874 ( 0.000 -0.278 -0.327) 0.429 17.945 ( 0.000 -1.147 0.453) 1.233 17.960 ( 0.000 -1.400 -0.878) 1.653 31.183 ( 0.000 -1.251 0.866) 1.521 31.205 ( 0.000 -1.074 -0.942) 1.429 31.235 ( 0.000 -1.116 0.159) 1.127 31.246 ( 0.000 -1.713 -0.780) 1.882 50.714 ( 0.000 -12.207 10.120) 15.857 50.887 ( 0.000 -12.661 -5.496) 13.803 51.341 ( 0.000 -24.707 18.361) 30.782 51.615 ( 0.000 -21.062 -8.046) 22.547 ======================= Grid point 141 (50/63) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.829 13.441 6.128) 14.796 1.257 ( -1.995 13.810 4.508) 14.663 1.441 ( -3.274 9.987 5.204) 11.728 1.598 ( -4.646 7.524 -5.198) 10.258 2.005 ( 0.676 9.387 1.534) 9.535 2.085 ( -2.988 6.104 -2.468) 7.230 2.202 ( 2.347 7.811 9.437) 12.473 2.310 ( -3.855 7.441 0.890) 8.427 2.387 ( 1.735 5.544 1.771) 6.074 2.492 ( -6.787 8.108 -5.332) 11.842 2.694 ( 7.600 6.843 3.716) 10.881 2.797 ( 5.554 6.567 -4.261) 9.598 3.084 ( 8.306 12.869 9.661) 18.109 3.243 ( 9.402 6.286 -2.390) 11.559 3.352 ( -4.725 8.136 -2.167) 9.655 3.431 ( -6.390 10.938 -5.262) 13.717 3.641 ( -6.497 13.636 4.466) 15.751 3.690 ( -3.535 16.313 -0.094) 16.691 3.788 ( -2.680 12.826 -1.341) 13.171 3.813 ( -3.314 12.453 -5.254) 13.916 4.137 ( 7.268 0.874 1.982) 7.584 4.174 ( 3.542 2.814 -1.454) 4.752 4.279 ( -0.544 0.186 1.821) 1.909 4.325 ( 0.217 1.266 -2.282) 2.619 4.371 ( -0.814 2.092 0.669) 2.342 4.388 ( -0.735 0.879 -1.479) 1.872 4.472 ( -3.780 7.013 1.991) 8.212 4.535 ( -4.094 8.399 -3.221) 9.883 4.702 ( 6.526 0.880 1.132) 6.681 4.753 ( 7.373 1.890 -3.027) 8.191 4.923 ( 0.331 1.636 4.014) 4.348 5.007 ( 0.370 0.097 -3.025) 3.049 5.251 ( -0.538 -2.541 1.959) 3.253 5.281 ( 0.251 -0.382 -0.776) 0.901 5.470 ( -3.472 -5.068 2.525) 6.642 5.510 ( -4.077 -5.530 -0.652) 6.901 6.875 ( 2.667 -2.603 2.677) 4.589 6.942 ( 0.140 -3.217 -3.309) 4.617 7.168 ( 0.315 -10.054 3.026) 10.504 7.208 ( -0.896 -10.527 -0.965) 10.609 7.529 ( 1.294 -5.799 1.948) 6.253 7.562 ( 0.028 -5.091 2.579) 5.707 7.585 ( 1.741 -6.612 -1.061) 6.920 7.669 ( -1.990 -4.780 -5.169) 7.316 8.048 ( -1.330 -8.572 4.243) 9.657 8.078 ( -2.374 -9.006 0.863) 9.354 8.325 ( 7.429 -5.097 7.145) 11.498 8.480 ( 1.375 -11.477 -3.070) 11.959 8.719 ( 5.770 -0.395 -0.255) 5.789 8.798 ( 1.823 -7.064 -4.606) 8.628 9.283 ( -6.914 5.212 -2.981) 9.157 9.338 ( -6.516 4.251 -7.746) 10.979 9.728 ( 0.935 18.365 3.466) 18.712 9.769 ( -0.887 19.140 -0.092) 19.161 10.069 ( 2.179 13.979 3.253) 14.517 10.141 ( -0.537 12.389 -3.515) 12.890 16.934 ( 0.234 3.637 0.667) 3.705 16.947 ( -0.002 3.896 0.306) 3.908 16.964 ( 0.513 4.262 0.466) 4.318 17.019 ( -1.505 5.172 -4.061) 6.745 17.879 ( 1.037 -0.355 0.408) 1.170 17.890 ( 1.289 -0.501 -0.636) 1.522 17.936 ( -0.791 -1.102 0.449) 1.429 17.952 ( -0.781 -1.352 -0.983) 1.845 31.180 ( -0.104 -0.687 0.424) 0.813 31.194 ( -0.701 -0.639 -0.715) 1.188 31.249 ( 0.886 -1.835 0.009) 2.038 31.254 ( 0.539 -2.149 -0.445) 2.259 50.745 ( 2.984 -12.564 10.751) 16.803 50.884 ( -1.097 -13.605 -0.017) 13.649 51.336 ( 0.724 -21.619 11.381) 24.442 51.548 ( -6.020 -20.046 -7.205) 22.135 ======================= Grid point 142 (51/63) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -0.742 11.575 3.176) 12.025 1.239 ( 0.742 11.575 3.176) 12.025 1.440 ( -6.489 8.222 3.937) 11.190 1.440 ( 6.489 8.222 3.937) 11.190 2.118 ( -6.913 9.990 2.641) 12.433 2.118 ( 6.913 9.990 2.641) 12.433 2.149 ( -5.665 9.302 -3.454) 11.426 2.149 ( 5.665 9.302 -3.454) 11.426 2.444 ( -1.357 4.663 0.937) 4.946 2.444 ( 1.357 4.663 0.937) 4.946 2.834 ( -3.592 5.630 -0.796) 6.725 2.834 ( 3.592 5.630 -0.796) 6.725 3.203 ( -5.964 14.296 4.264) 16.066 3.203 ( 5.964 14.296 4.264) 16.066 3.407 ( -3.655 6.983 -1.228) 7.977 3.407 ( 3.655 6.983 -1.228) 7.977 3.555 ( -4.096 11.600 0.870) 12.332 3.555 ( 4.096 11.600 0.870) 12.332 3.783 ( -1.530 15.309 -2.599) 15.604 3.783 ( 1.530 15.309 -2.599) 15.604 4.235 ( -3.249 0.087 2.168) 3.907 4.235 ( 3.249 0.087 2.168) 3.907 4.312 ( -4.717 0.118 -0.922) 4.808 4.312 ( 4.717 0.118 -0.922) 4.808 4.356 ( -1.999 5.042 -0.986) 5.513 4.356 ( 1.999 5.042 -0.986) 5.513 4.441 ( -1.992 4.306 -2.717) 5.468 4.441 ( 1.992 4.306 -2.717) 5.468 4.821 ( -2.591 5.457 1.656) 6.264 4.821 ( 2.591 5.457 1.656) 6.264 4.962 ( -3.481 1.214 -1.552) 4.000 4.962 ( 3.481 1.214 -1.552) 4.000 5.273 ( -1.624 -5.749 1.090) 6.073 5.273 ( 1.624 -5.749 1.090) 6.073 5.435 ( -1.444 -3.666 0.036) 3.940 5.435 ( 1.444 -3.666 0.036) 3.940 6.926 ( -1.858 -3.283 -0.300) 3.784 6.926 ( 1.858 -3.283 -0.300) 3.784 7.184 ( -1.238 -9.837 1.012) 9.966 7.184 ( 1.238 -9.837 1.012) 9.966 7.554 ( -0.906 -5.142 2.159) 5.650 7.554 ( 0.906 -5.142 2.159) 5.650 7.625 ( -2.114 -5.542 -3.179) 6.730 7.625 ( 2.114 -5.542 -3.179) 6.730 8.043 ( -0.870 -8.361 2.464) 8.759 8.043 ( 0.870 -8.361 2.464) 8.759 8.455 ( -4.200 -12.183 3.675) 13.400 8.455 ( 4.200 -12.183 3.675) 13.400 8.821 ( -1.553 -2.011 -0.701) 2.635 8.821 ( 1.553 -2.011 -0.701) 2.635 9.212 ( -2.521 5.839 -8.432) 10.562 9.212 ( 2.521 5.839 -8.432) 10.562 9.748 ( -1.045 18.810 1.639) 18.910 9.748 ( 1.045 18.810 1.639) 18.910 10.115 ( -1.968 12.854 -0.233) 13.006 10.115 ( 1.968 12.854 -0.233) 13.006 16.941 ( -0.397 3.787 0.997) 3.936 16.941 ( 0.397 3.787 0.997) 3.936 16.986 ( -1.524 4.697 -2.024) 5.336 16.986 ( 1.524 4.697 -2.024) 5.336 17.902 ( -0.837 -0.549 0.266) 1.036 17.902 ( 0.837 -0.549 0.266) 1.036 17.932 ( -0.945 -1.221 -0.782) 1.730 17.932 ( 0.945 -1.221 -0.782) 1.730 31.183 ( -0.383 -0.381 -0.241) 0.592 31.183 ( 0.383 -0.381 -0.241) 0.592 31.260 ( -0.125 -2.345 -0.130) 2.352 31.260 ( 0.125 -2.345 -0.130) 2.352 50.824 ( -4.275 -13.672 9.261) 17.057 50.824 ( 4.275 -13.672 9.261) 17.057 51.410 ( -6.327 -18.910 -1.858) 20.027 51.410 ( 6.327 -18.910 -1.858) 20.027 ======================= Grid point 145 (52/63) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.000 15.370 4.886) 16.128 1.610 ( 0.000 17.989 5.111) 18.701 1.717 ( 0.000 10.275 -5.688) 11.744 1.796 ( 0.000 11.679 -7.437) 13.846 2.174 ( 0.000 7.168 3.755) 8.092 2.246 ( 0.000 9.470 -0.867) 9.510 2.355 ( 0.000 8.710 8.380) 12.087 2.465 ( 0.000 8.385 1.303) 8.486 2.538 ( 0.000 2.730 -3.476) 4.420 2.570 ( 0.000 4.930 -2.623) 5.584 2.868 ( 0.000 6.625 0.911) 6.687 2.915 ( 0.000 8.505 -2.316) 8.814 3.100 ( 0.000 3.199 1.242) 3.432 3.164 ( 0.000 1.164 -6.094) 6.204 3.652 ( 0.000 15.996 10.051) 18.892 3.834 ( 0.000 14.696 -3.952) 15.218 3.984 ( 0.000 9.840 5.213) 11.136 3.984 ( 0.000 12.552 5.857) 13.852 4.077 ( 0.000 2.404 4.010) 4.676 4.102 ( 0.000 10.809 -2.801) 11.165 4.140 ( 0.000 13.850 -4.172) 14.465 4.190 ( 0.000 -0.456 -5.211) 5.231 4.284 ( 0.000 1.122 0.705) 1.325 4.326 ( 0.000 -0.152 -3.235) 3.238 4.405 ( 0.000 -0.337 -0.309) 0.457 4.421 ( 0.000 1.685 0.554) 1.773 4.592 ( 0.000 -0.759 -1.033) 1.282 4.610 ( 0.000 0.954 -3.083) 3.227 4.732 ( 0.000 11.375 6.499) 13.101 4.807 ( 0.000 9.883 -0.907) 9.924 4.953 ( 0.000 -0.762 3.436) 3.520 5.016 ( 0.000 6.536 -1.294) 6.663 5.287 ( 0.000 3.044 2.794) 4.132 5.352 ( 0.000 5.403 -2.396) 5.911 5.384 ( 0.000 -6.635 2.449) 7.073 5.436 ( 0.000 -5.763 -2.075) 6.125 6.803 ( 0.000 -1.791 3.070) 3.554 6.875 ( 0.000 -2.910 -3.498) 4.551 6.969 ( 0.000 -9.355 1.902) 9.546 7.000 ( 0.000 -10.281 -1.287) 10.361 7.383 ( 0.000 -6.540 1.705) 6.758 7.419 ( 0.000 -6.887 -1.697) 7.093 7.444 ( 0.000 -6.252 4.641) 7.786 7.560 ( 0.000 -7.827 -5.672) 9.666 7.859 ( 0.000 -9.701 3.039) 10.166 7.903 ( 0.000 -10.284 -1.018) 10.334 8.078 ( 0.000 -13.312 5.502) 14.405 8.133 ( 0.000 -18.061 0.893) 18.083 8.719 ( 0.000 2.236 -3.847) 4.450 8.767 ( 0.000 7.041 -8.560) 11.084 9.425 ( 0.000 0.128 -2.693) 2.696 9.448 ( 0.000 1.210 -4.883) 5.031 10.086 ( 0.000 17.614 5.081) 18.333 10.152 ( 0.000 17.111 -0.642) 17.123 10.341 ( 0.000 14.110 3.897) 14.638 10.382 ( 0.000 11.084 0.073) 11.085 17.009 ( 0.000 3.869 0.562) 3.910 17.023 ( 0.000 3.843 -0.709) 3.908 17.045 ( 0.000 3.927 2.513) 4.663 17.125 ( 0.000 3.385 -4.827) 5.896 17.862 ( 0.000 -0.244 0.258) 0.355 17.868 ( 0.000 -0.312 -0.272) 0.415 17.922 ( 0.000 -1.145 0.277) 1.178 17.931 ( 0.000 -1.399 -0.576) 1.513 31.172 ( 0.000 0.184 0.519) 0.551 31.191 ( 0.000 -0.217 -0.908) 0.934 31.216 ( 0.000 -0.720 -0.004) 0.720 31.219 ( 0.000 -0.936 -0.335) 0.994 50.467 ( 0.000 -11.462 8.109) 14.040 50.621 ( 0.000 -13.123 -5.643) 14.285 50.908 ( 0.000 -18.345 16.163) 24.450 51.188 ( 0.000 -20.533 -9.591) 22.662 ======================= Grid point 146 (53/63) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -2.321 15.049 4.035) 15.752 1.580 ( -4.107 16.555 -1.090) 17.091 1.671 ( -1.868 12.735 2.224) 13.062 1.788 ( -5.110 10.931 -5.742) 13.363 2.195 ( 0.753 9.220 0.586) 9.269 2.219 ( 1.492 6.953 1.296) 7.228 2.358 ( 0.208 7.502 5.600) 9.364 2.423 ( 0.641 6.199 -0.527) 6.254 2.537 ( 0.564 8.349 2.534) 8.743 2.634 ( -3.515 7.004 -4.800) 9.190 2.837 ( 1.162 5.916 -1.267) 6.161 2.909 ( 3.605 3.781 -6.049) 7.993 3.293 ( 12.010 1.560 1.126) 12.163 3.304 ( 11.818 4.367 -0.646) 12.615 3.608 ( -3.644 16.474 6.220) 17.982 3.703 ( -8.852 15.204 -1.185) 17.633 3.838 ( -9.641 5.536 6.714) 12.987 3.922 ( -11.531 4.473 0.217) 12.370 4.052 ( 1.790 14.081 1.812) 14.310 4.095 ( -0.920 11.426 -1.850) 11.612 4.177 ( 3.002 2.120 0.529) 3.713 4.232 ( 4.800 4.351 -4.152) 7.695 4.294 ( 0.215 1.868 2.128) 2.840 4.339 ( 0.237 1.601 -1.550) 2.241 4.413 ( 2.309 3.288 1.074) 4.159 4.456 ( 2.065 4.858 -2.631) 5.898 4.608 ( -2.347 3.450 2.327) 4.777 4.661 ( -1.970 3.704 -1.259) 4.380 4.780 ( 6.484 6.916 2.398) 9.779 4.838 ( 8.341 6.832 -2.615) 11.095 4.953 ( 0.037 1.223 4.597) 4.757 5.043 ( 1.192 4.523 -2.785) 5.444 5.228 ( -5.098 1.465 3.975) 6.629 5.305 ( -5.441 0.303 -1.785) 5.734 5.373 ( -0.351 -2.190 0.238) 2.231 5.401 ( -2.539 -4.910 -1.775) 5.806 6.823 ( 1.638 -2.486 2.390) 3.817 6.875 ( -0.331 -3.459 -2.188) 4.106 6.976 ( 0.845 -8.896 1.567) 9.072 7.006 ( 0.267 -9.518 -1.253) 9.603 7.401 ( 1.604 -6.693 1.810) 7.117 7.439 ( 1.258 -7.403 -0.192) 7.512 7.451 ( 0.863 -5.681 1.809) 6.024 7.541 ( -1.819 -7.419 -4.735) 8.987 7.847 ( -0.710 -10.018 2.705) 10.401 7.880 ( -1.945 -10.052 -0.151) 10.240 8.101 ( 2.056 -15.217 4.207) 15.921 8.145 ( 0.664 -17.263 0.733) 17.291 8.767 ( 4.539 2.907 -2.008) 5.752 8.821 ( 4.203 5.890 -6.445) 9.690 9.347 ( -5.604 1.149 -3.290) 6.599 9.397 ( -5.220 1.294 -7.215) 8.999 10.098 ( 1.052 17.602 3.975) 18.076 10.142 ( -0.858 17.332 0.218) 17.354 10.351 ( 0.914 13.404 3.540) 13.893 10.381 ( -0.166 11.264 0.733) 11.289 17.012 ( 0.296 3.876 0.834) 3.976 17.027 ( 0.045 3.903 0.348) 3.919 17.048 ( 0.594 3.887 0.654) 3.986 17.108 ( -1.485 3.564 -3.985) 5.549 17.871 ( 0.809 -0.374 0.308) 0.943 17.879 ( 0.963 -0.521 -0.441) 1.180 17.914 ( -0.699 -1.066 0.316) 1.313 17.925 ( -0.651 -1.322 -0.641) 1.607 31.175 ( 0.212 0.215 0.369) 0.477 31.187 ( -0.309 -0.006 -0.554) 0.634 31.220 ( 0.274 -1.019 -0.187) 1.072 31.222 ( 0.161 -1.056 -0.323) 1.116 50.494 ( 2.467 -11.616 8.349) 14.517 50.610 ( -1.449 -12.898 -0.169) 12.980 50.932 ( 2.776 -18.208 8.784) 20.406 51.138 ( -4.618 -19.896 -8.190) 22.006 ======================= Grid point 147 (54/63) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -2.751 14.890 -0.238) 15.144 1.513 ( 2.751 14.890 -0.238) 15.144 1.659 ( -3.193 12.813 1.654) 13.308 1.659 ( 3.193 12.813 1.654) 13.308 2.282 ( -5.157 6.303 1.561) 8.292 2.282 ( 5.157 6.303 1.561) 8.292 2.329 ( -5.276 8.960 -0.088) 10.398 2.329 ( 5.276 8.960 -0.088) 10.398 2.586 ( -2.397 9.349 -1.429) 9.757 2.586 ( 2.397 9.349 -1.429) 9.757 2.911 ( -3.835 1.633 -4.051) 5.813 2.911 ( 3.835 1.633 -4.051) 5.813 3.497 ( -1.860 3.049 1.664) 3.940 3.497 ( 1.860 3.049 1.664) 3.940 3.558 ( -2.865 18.047 2.047) 18.388 3.558 ( 2.865 18.047 2.047) 18.388 3.717 ( -3.698 3.143 1.954) 5.232 3.717 ( 3.698 3.143 1.954) 5.232 4.080 ( -0.924 12.496 0.099) 12.531 4.080 ( 0.924 12.496 0.099) 12.531 4.241 ( -2.947 1.430 1.784) 3.730 4.241 ( 2.947 1.430 1.784) 3.730 4.329 ( -1.491 1.985 0.046) 2.483 4.329 ( 1.491 1.985 0.046) 2.483 4.490 ( -2.192 7.589 0.459) 7.912 4.490 ( 2.192 7.589 0.459) 7.912 4.561 ( -3.881 6.779 -2.434) 8.182 4.561 ( 3.881 6.779 -2.434) 8.182 4.918 ( -4.888 3.329 5.009) 7.751 4.918 ( 4.888 3.329 5.009) 7.751 5.029 ( -4.920 6.097 -4.095) 8.840 5.029 ( 4.920 6.097 -4.095) 8.840 5.170 ( -3.878 -3.747 0.591) 5.425 5.170 ( 3.878 -3.747 0.591) 5.425 5.371 ( -0.385 -2.204 -0.733) 2.354 5.371 ( 0.385 -2.204 -0.733) 2.354 6.856 ( -1.417 -3.623 0.483) 3.920 6.856 ( 1.417 -3.623 0.483) 3.920 6.999 ( -1.004 -8.536 -0.018) 8.595 6.999 ( 1.004 -8.536 -0.018) 8.595 7.435 ( -1.280 -6.599 2.027) 7.021 7.435 ( 1.280 -6.599 2.027) 7.021 7.493 ( -2.618 -6.894 -2.888) 7.920 7.493 ( 2.618 -6.894 -2.888) 7.920 7.847 ( -0.894 -10.145 1.502) 10.295 7.847 ( 0.894 -10.145 1.502) 10.295 8.141 ( -1.301 -16.694 1.816) 16.843 8.141 ( 1.301 -16.694 1.816) 16.843 8.858 ( -2.334 3.964 -0.975) 4.702 8.858 ( 2.334 3.964 -0.975) 4.702 9.295 ( -2.329 1.944 -7.992) 8.548 9.295 ( 2.329 1.944 -7.992) 8.548 10.121 ( -1.127 17.580 1.958) 17.725 10.121 ( 1.127 17.580 1.958) 17.725 10.371 ( -0.834 12.085 2.291) 12.328 10.371 ( 0.834 12.085 2.291) 12.328 17.021 ( -0.502 3.910 1.258) 4.138 17.021 ( 0.502 3.910 1.258) 4.138 17.073 ( -1.694 3.802 -2.186) 4.701 17.073 ( 1.694 3.802 -2.186) 4.701 17.890 ( -0.731 -0.602 0.205) 0.969 17.890 ( 0.731 -0.602 0.205) 0.969 17.907 ( -0.793 -1.126 -0.500) 1.465 17.907 ( 0.793 -1.126 -0.500) 1.465 31.180 ( -0.332 0.180 -0.024) 0.379 31.180 ( 0.332 0.180 -0.024) 0.379 31.223 ( -0.049 -1.200 -0.306) 1.239 31.223 ( 0.049 -1.200 -0.306) 1.239 50.557 ( -3.393 -12.191 6.973) 14.448 50.557 ( 3.393 -12.191 6.973) 14.448 51.024 ( -5.829 -18.702 -2.718) 19.777 51.024 ( 5.829 -18.702 -2.718) 19.777 ======================= Grid point 150 (55/63) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.000 11.812 0.601) 11.828 1.894 ( 0.000 7.604 -4.669) 8.923 1.965 ( 0.000 16.592 1.406) 16.651 2.030 ( 0.000 10.184 -4.530) 11.146 2.345 ( 0.000 8.440 4.814) 9.716 2.411 ( 0.000 3.906 -1.032) 4.040 2.539 ( 0.000 10.211 3.588) 10.823 2.603 ( 0.000 6.372 -1.833) 6.630 2.663 ( 0.000 10.461 2.603) 10.780 2.704 ( 0.000 7.341 -0.469) 7.356 2.977 ( 0.000 4.228 -0.248) 4.235 2.989 ( 0.000 1.078 -0.969) 1.449 3.122 ( 0.000 0.418 0.116) 0.434 3.188 ( 0.000 0.519 -6.185) 6.206 3.886 ( 0.000 1.926 8.288) 8.509 3.986 ( 0.000 -4.282 0.532) 4.315 4.118 ( 0.000 7.552 0.500) 7.569 4.120 ( 0.000 -1.008 0.011) 1.008 4.177 ( 0.000 5.921 5.849) 8.323 4.182 ( 0.000 7.354 1.978) 7.615 4.287 ( 0.000 2.092 -4.024) 4.535 4.330 ( 0.000 3.419 -3.613) 4.975 4.346 ( 0.000 4.915 -1.202) 5.060 4.350 ( 0.000 7.005 -0.955) 7.070 4.428 ( 0.000 2.858 5.395) 6.106 4.456 ( 0.000 3.901 1.948) 4.360 4.651 ( 0.000 5.794 -1.149) 5.906 4.681 ( 0.000 4.310 -3.156) 5.342 4.876 ( 0.000 2.952 1.932) 3.528 4.895 ( 0.000 0.657 -0.111) 0.667 5.002 ( 0.000 4.894 11.620) 12.608 5.195 ( 0.000 7.996 -1.961) 8.232 5.258 ( 0.000 -4.789 0.074) 4.789 5.323 ( 0.000 -4.193 -4.562) 6.196 5.417 ( 0.000 9.138 -0.602) 9.158 5.490 ( 0.000 7.281 -4.641) 8.635 6.773 ( 0.000 -1.328 1.839) 2.268 6.794 ( 0.000 -6.777 0.309) 6.784 6.816 ( 0.000 -7.382 -1.188) 7.477 6.829 ( 0.000 -2.477 -2.484) 3.508 7.262 ( 0.000 -5.229 1.700) 5.499 7.292 ( 0.000 -5.554 -1.403) 5.728 7.326 ( 0.000 -5.207 2.590) 5.816 7.400 ( 0.000 -7.484 -3.666) 8.334 7.685 ( 0.000 -7.505 1.861) 7.733 7.717 ( 0.000 -7.972 -0.498) 7.987 7.808 ( 0.000 -11.746 0.926) 11.782 7.813 ( 0.000 -13.017 -0.010) 13.017 8.789 ( 0.000 3.782 -0.949) 3.899 8.876 ( 0.000 3.610 -8.776) 9.489 9.407 ( 0.000 -1.742 -0.953) 1.985 9.438 ( 0.000 -1.934 -4.026) 4.467 10.400 ( 0.000 13.234 4.868) 14.101 10.451 ( 0.000 12.277 0.851) 12.307 10.586 ( 0.000 8.988 2.573) 9.349 10.592 ( 0.000 10.447 2.261) 10.689 17.081 ( 0.000 3.159 0.456) 3.192 17.092 ( 0.000 2.908 -0.534) 2.957 17.115 ( 0.000 2.897 2.100) 3.578 17.174 ( 0.000 1.626 -3.304) 3.683 17.858 ( 0.000 -0.180 0.185) 0.258 17.862 ( 0.000 -0.272 -0.195) 0.334 17.901 ( 0.000 -0.887 0.112) 0.894 17.906 ( 0.000 -1.074 -0.336) 1.125 31.184 ( 0.000 0.811 0.412) 0.910 31.194 ( 0.000 0.331 -0.334) 0.471 31.206 ( 0.000 -0.176 0.064) 0.187 31.209 ( 0.000 -0.116 -0.120) 0.167 50.275 ( 0.000 -7.371 4.904) 8.853 50.382 ( 0.000 -10.174 -4.589) 11.161 50.598 ( 0.000 -12.484 10.980) 16.625 50.810 ( 0.000 -16.668 -8.202) 18.577 ======================= Grid point 151 (56/63) ======================= q-point: ( 0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -1.736 13.287 1.562) 13.491 1.862 ( -2.172 11.532 -4.810) 12.683 1.963 ( -1.569 15.324 1.276) 15.457 2.009 ( -4.898 10.257 -3.002) 11.757 2.333 ( 1.707 4.341 2.292) 5.197 2.357 ( -0.990 5.655 0.170) 5.744 2.523 ( -0.809 9.237 3.311) 9.846 2.569 ( -1.223 7.807 -0.496) 7.918 2.727 ( 3.581 9.878 3.621) 11.113 2.800 ( 2.237 9.312 -2.499) 9.898 2.925 ( -2.733 3.997 -2.532) 5.464 2.949 ( -0.387 0.793 -4.223) 4.314 3.260 ( 10.883 -2.727 3.068) 11.631 3.338 ( 11.327 -1.620 -4.120) 12.161 3.810 ( -7.390 -2.600 5.363) 9.494 3.873 ( -9.117 -3.856 0.296) 9.904 3.980 ( -7.385 11.985 3.131) 14.422 4.014 ( -7.738 11.068 0.540) 13.515 4.165 ( 0.908 0.232 0.797) 1.230 4.206 ( -1.307 0.615 -2.391) 2.793 4.300 ( 3.459 8.336 4.524) 10.096 4.358 ( 0.993 3.960 0.803) 4.161 4.361 ( 0.776 5.365 0.056) 5.421 4.387 ( 0.873 2.351 -1.237) 2.797 4.513 ( 6.791 3.099 2.634) 7.916 4.552 ( 6.646 6.680 -0.332) 9.429 4.664 ( 0.035 4.558 1.377) 4.761 4.717 ( 1.013 2.284 -2.158) 3.301 4.908 ( 3.324 4.273 2.145) 5.823 4.938 ( 5.723 2.594 -1.223) 6.401 4.999 ( 0.028 3.258 9.862) 10.386 5.183 ( -1.303 5.739 -1.043) 5.977 5.233 ( -3.051 -2.936 -2.494) 4.914 5.305 ( -3.347 1.182 -5.741) 6.750 5.346 ( -3.364 4.907 2.391) 6.412 5.453 ( -3.684 6.550 -5.621) 9.385 6.776 ( 0.224 -2.375 1.267) 2.701 6.790 ( -0.378 -5.316 0.169) 5.332 6.825 ( 1.099 -6.132 -0.636) 6.262 6.844 ( 0.828 -5.075 -2.036) 5.531 7.273 ( 1.182 -5.484 1.577) 5.827 7.305 ( 0.792 -5.690 -1.154) 5.860 7.342 ( 1.243 -4.967 1.396) 5.307 7.394 ( -0.782 -6.718 -2.835) 7.333 7.667 ( -1.021 -7.637 1.742) 7.899 7.697 ( -2.078 -7.709 -0.800) 8.024 7.806 ( 1.381 -12.691 2.039) 12.928 7.842 ( 0.808 -12.569 -1.079) 12.641 8.842 ( 4.890 3.920 -0.018) 6.268 8.921 ( 3.617 3.782 -6.774) 8.560 9.338 ( -5.255 -1.768 -1.683) 5.794 9.387 ( -4.909 -2.048 -5.761) 7.841 10.413 ( 1.117 13.311 3.907) 13.917 10.449 ( -0.285 12.814 1.093) 12.864 10.585 ( -0.030 8.878 3.010) 9.374 10.591 ( -0.135 9.835 2.634) 10.183 17.084 ( 0.296 3.152 0.726) 3.248 17.098 ( 0.192 3.007 0.089) 3.014 17.115 ( 0.355 2.722 0.824) 2.866 17.162 ( -1.109 1.859 -2.817) 3.553 17.864 ( 0.592 -0.285 0.203) 0.688 17.870 ( 0.667 -0.422 -0.276) 0.836 17.895 ( -0.554 -0.805 0.160) 0.990 17.901 ( -0.499 -1.003 -0.376) 1.182 31.186 ( 0.105 0.737 0.371) 0.832 31.192 ( -0.163 0.399 -0.106) 0.444 31.208 ( 0.123 -0.193 -0.070) 0.240 31.209 ( 0.062 -0.185 -0.146) 0.244 50.298 ( 2.202 -7.458 5.154) 9.329 50.385 ( -0.316 -9.143 -1.287) 9.239 50.610 ( 1.701 -13.608 6.171) 15.038 50.770 ( -3.719 -16.300 -7.045) 18.143 ======================= Grid point 152 (57/63) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -3.368 13.953 -0.084) 14.354 1.810 ( 3.368 13.953 -0.084) 14.354 1.924 ( -0.140 12.757 -1.208) 12.815 1.924 ( 0.140 12.757 -1.208) 12.815 2.388 ( -1.071 4.503 0.352) 4.642 2.388 ( 1.071 4.503 0.352) 4.642 2.508 ( -2.551 8.305 1.847) 8.882 2.508 ( 2.551 8.305 1.847) 8.882 2.801 ( -2.361 11.239 -1.362) 11.565 2.801 ( 2.361 11.239 -1.362) 11.565 2.918 ( -1.844 0.130 -2.245) 2.908 2.918 ( 1.844 0.130 -2.245) 2.908 3.479 ( -5.097 -3.960 0.382) 6.465 3.479 ( 5.097 -3.960 0.382) 6.465 3.693 ( -4.138 -4.248 0.989) 6.012 3.693 ( 4.138 -4.248 0.989) 6.012 3.913 ( -1.120 15.226 1.873) 15.381 3.913 ( 1.120 15.226 1.873) 15.381 4.184 ( -0.941 0.392 -0.140) 1.029 4.184 ( 0.941 0.392 -0.140) 1.029 4.354 ( -1.414 5.600 2.784) 6.412 4.354 ( 1.414 5.600 2.784) 6.412 4.385 ( -0.927 3.910 -0.031) 4.018 4.385 ( 0.927 3.910 -0.031) 4.018 4.620 ( -3.434 3.127 2.929) 5.491 4.620 ( 3.434 3.127 2.929) 5.491 4.678 ( -4.070 6.411 -0.888) 7.646 4.678 ( 4.070 6.411 -0.888) 7.646 4.985 ( -2.345 3.382 4.953) 6.440 4.985 ( 2.345 3.382 4.953) 6.440 5.107 ( -8.182 -1.050 -0.151) 8.250 5.107 ( 8.182 -1.050 -0.151) 8.250 5.190 ( -3.244 6.988 -3.658) 8.528 5.190 ( 3.244 6.988 -3.658) 8.528 5.371 ( -3.462 2.619 -3.708) 5.709 5.371 ( 3.462 2.619 -3.708) 5.709 6.782 ( -0.366 -3.586 0.583) 3.651 6.782 ( 0.366 -3.586 0.583) 3.651 6.847 ( -0.661 -6.346 -1.041) 6.464 6.847 ( 0.661 -6.346 -1.041) 6.464 7.303 ( -1.208 -5.749 0.391) 5.887 7.303 ( 1.208 -5.749 0.391) 5.887 7.369 ( -1.425 -5.356 -1.023) 5.636 7.369 ( 1.425 -5.356 -1.023) 5.636 7.663 ( -0.825 -7.657 0.692) 7.732 7.663 ( 0.825 -7.657 0.692) 7.732 7.837 ( -1.159 -12.820 0.065) 12.873 7.837 ( 1.159 -12.820 0.065) 12.873 8.945 ( -3.138 4.337 -0.511) 5.378 8.945 ( 3.138 4.337 -0.511) 5.378 9.289 ( -2.439 -2.315 -6.377) 7.209 9.289 ( 2.439 -2.315 -6.377) 7.209 10.436 ( -0.960 13.374 2.117) 13.574 10.436 ( 0.960 13.374 2.117) 13.574 10.587 ( -0.219 8.997 3.245) 9.567 10.587 ( 0.219 8.997 3.245) 9.567 17.093 ( -0.489 3.133 1.091) 3.353 17.093 ( 0.489 3.133 1.091) 3.353 17.135 ( -1.371 2.310 -1.630) 3.142 17.135 ( 1.371 2.310 -1.630) 3.142 17.879 ( -0.610 -0.488 0.135) 0.793 17.879 ( 0.610 -0.488 0.135) 0.793 17.888 ( -0.629 -0.819 -0.305) 1.076 17.888 ( 0.629 -0.819 -0.305) 1.076 31.188 ( -0.177 0.563 0.202) 0.624 31.188 ( 0.177 0.563 0.202) 0.624 31.210 ( -0.036 -0.231 -0.164) 0.285 31.210 ( 0.036 -0.231 -0.164) 0.285 50.352 ( -2.651 -7.841 4.164) 9.266 50.352 ( 2.651 -7.841 4.164) 9.266 50.678 ( -4.641 -15.320 -2.718) 16.237 50.678 ( 4.641 -15.320 -2.718) 16.237 ======================= Grid point 155 (58/63) ======================= q-point: ( 0.00 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 0.000 5.645 -1.730) 5.904 2.030 ( 0.000 7.272 -1.541) 7.434 2.197 ( 0.000 6.776 2.586) 7.252 2.255 ( 0.000 11.431 -1.898) 11.588 2.407 ( 0.000 -2.156 3.025) 3.715 2.460 ( 0.000 2.867 -1.666) 3.316 2.714 ( 0.000 2.475 1.138) 2.724 2.723 ( 0.000 1.835 -0.113) 1.839 2.827 ( 0.000 7.367 2.548) 7.795 2.856 ( 0.000 9.153 0.877) 9.195 3.047 ( 0.000 0.699 0.465) 0.840 3.091 ( 0.000 8.891 -1.412) 9.002 3.166 ( 0.000 -1.164 -1.540) 1.930 3.193 ( 0.000 9.371 -2.618) 9.730 3.741 ( 0.000 -12.117 3.869) 12.719 3.804 ( 0.000 -12.062 -1.643) 12.174 4.115 ( 0.000 0.100 0.619) 0.627 4.156 ( 0.000 -1.504 -2.346) 2.787 4.305 ( 0.000 1.916 -0.584) 2.003 4.307 ( 0.000 2.563 -0.841) 2.698 4.326 ( 0.000 5.657 2.364) 6.131 4.360 ( 0.000 2.078 -1.258) 2.429 4.428 ( 0.000 1.955 1.447) 2.432 4.463 ( 0.000 3.275 -0.504) 3.314 4.519 ( 0.000 5.600 8.986) 10.588 4.559 ( 0.000 3.663 4.922) 6.135 4.752 ( 0.000 3.094 0.109) 3.096 4.752 ( 0.000 3.560 0.198) 3.566 4.894 ( 0.000 -0.171 2.121) 2.128 4.955 ( 0.000 4.384 0.150) 4.387 5.018 ( 0.000 -2.923 9.777) 10.204 5.155 ( 0.000 -4.180 -0.535) 4.214 5.298 ( 0.000 1.585 -5.037) 5.280 5.321 ( 0.000 3.103 -4.315) 5.315 5.599 ( 0.000 7.380 -5.887) 9.440 5.627 ( 0.000 5.466 -6.283) 8.328 6.691 ( 0.000 -3.121 -0.408) 3.147 6.698 ( 0.000 -3.454 -1.218) 3.663 6.769 ( 0.000 0.077 0.799) 0.803 6.796 ( 0.000 -1.120 -1.648) 1.992 7.182 ( 0.000 -2.523 1.100) 2.753 7.202 ( 0.000 -3.326 -0.882) 3.441 7.244 ( 0.000 -2.773 0.760) 2.875 7.276 ( 0.000 -4.567 -1.917) 4.953 7.564 ( 0.000 -4.182 1.918) 4.601 7.588 ( 0.000 -4.859 1.091) 4.980 7.622 ( 0.000 -5.765 -1.613) 5.987 7.633 ( 0.000 -5.662 -1.312) 5.812 8.857 ( 0.000 2.863 -1.503) 3.234 8.915 ( 0.000 0.474 -6.917) 6.933 9.368 ( 0.000 -1.641 -0.016) 1.642 9.388 ( 0.000 -2.501 -1.929) 3.158 10.608 ( 0.000 7.289 4.785) 8.719 10.636 ( 0.000 5.999 3.202) 6.800 10.734 ( 0.000 5.529 1.878) 5.839 10.751 ( 0.000 5.190 1.117) 5.309 17.132 ( 0.000 1.791 0.256) 1.809 17.137 ( 0.000 1.495 -0.213) 1.510 17.162 ( 0.000 1.787 1.122) 2.110 17.193 ( 0.000 0.284 -1.693) 1.717 17.855 ( 0.000 -0.070 0.098) 0.121 17.858 ( 0.000 -0.178 -0.100) 0.204 17.887 ( 0.000 -0.467 -0.002) 0.467 17.889 ( 0.000 -0.586 -0.182) 0.614 31.196 ( 0.000 0.199 0.245) 0.316 31.197 ( 0.000 0.022 0.085) 0.088 31.211 ( 0.000 0.541 0.388) 0.666 31.214 ( 0.000 0.444 0.144) 0.466 50.174 ( 0.000 -2.692 1.711) 3.190 50.223 ( 0.000 -5.496 -2.542) 6.055 50.412 ( 0.000 -5.618 5.437) 7.818 50.530 ( 0.000 -10.876 -5.107) 12.015 ======================= Grid point 156 (59/63) ======================= q-point: ( 0.25 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 0.180 8.574 0.976) 8.631 2.062 ( 1.670 7.611 -3.231) 8.435 2.174 ( -3.617 6.276 2.308) 7.602 2.224 ( -4.395 8.267 -1.120) 9.430 2.391 ( 2.893 2.859 2.399) 4.722 2.445 ( 0.544 3.523 -2.289) 4.236 2.670 ( -4.096 3.177 2.061) 5.578 2.692 ( -2.692 2.768 -0.004) 3.862 2.897 ( 2.783 7.119 2.456) 8.029 2.924 ( 3.872 3.057 -1.120) 5.059 3.010 ( -0.175 5.983 1.711) 6.225 3.079 ( -1.134 8.944 -3.079) 9.527 3.229 ( 5.090 1.815 0.479) 5.425 3.276 ( 7.712 -2.577 -3.202) 8.739 3.661 ( -6.952 -10.338 3.294) 12.886 3.717 ( -7.535 -10.161 -1.642) 12.756 4.129 ( 0.743 1.246 0.832) 1.672 4.152 ( -0.674 1.073 -0.712) 1.453 4.215 ( -4.136 4.411 0.631) 6.080 4.226 ( -3.828 2.339 -0.873) 4.570 4.381 ( 1.962 2.724 1.315) 3.606 4.400 ( 1.143 1.791 -0.234) 2.138 4.442 ( 1.395 2.155 0.800) 2.689 4.455 ( 0.398 2.741 0.310) 2.787 4.578 ( 4.480 3.985 8.323) 10.258 4.653 ( 4.962 2.119 3.338) 6.344 4.749 ( -0.540 2.417 3.334) 4.154 4.782 ( 2.421 3.853 -0.687) 4.602 4.957 ( 5.893 -0.007 0.405) 5.906 4.988 ( 2.627 2.021 4.861) 5.883 5.011 ( 0.243 -0.296 4.993) 5.007 5.142 ( -1.582 -3.068 -0.100) 3.454 5.291 ( -0.341 3.169 -5.313) 6.195 5.336 ( 2.154 2.351 -6.224) 6.993 5.509 ( -7.558 7.568 -3.852) 11.369 5.575 ( -5.354 4.544 -7.567) 10.324 6.699 ( 0.864 -2.906 -0.223) 3.040 6.708 ( 1.079 -3.311 -1.226) 3.692 6.761 ( -0.923 -0.821 0.598) 1.372 6.784 ( -1.236 -1.857 -1.570) 2.728 7.195 ( 1.377 -2.128 0.805) 2.659 7.217 ( 1.158 -2.902 -1.239) 3.361 7.259 ( 1.117 -2.976 0.779) 3.273 7.284 ( 0.349 -4.079 -1.286) 4.291 7.551 ( -0.633 -3.586 1.401) 3.901 7.582 ( -1.868 -3.522 -1.263) 4.182 7.610 ( 1.004 -6.786 1.430) 7.007 7.646 ( 0.033 -6.908 -1.763) 7.130 8.914 ( 5.352 3.157 -0.767) 6.261 8.971 ( 4.906 1.084 -5.847) 7.709 9.295 ( -6.174 -1.847 -0.182) 6.447 9.330 ( -5.497 -3.058 -3.270) 7.090 10.624 ( 1.360 7.441 4.010) 8.562 10.647 ( 0.827 6.648 2.648) 7.203 10.725 ( -0.716 5.016 2.595) 5.693 10.741 ( -0.913 4.854 1.754) 5.242 17.135 ( 0.322 1.843 0.435) 1.921 17.144 ( 0.545 1.504 -0.359) 1.639 17.158 ( -0.229 1.620 0.889) 1.862 17.185 ( -0.740 0.453 -1.463) 1.701 17.860 ( 0.441 -0.126 0.097) 0.469 17.863 ( 0.469 -0.257 -0.137) 0.552 17.883 ( -0.425 -0.410 0.032) 0.591 17.885 ( -0.388 -0.552 -0.198) 0.703 31.197 ( 0.143 0.296 0.297) 0.443 31.199 ( 0.153 0.224 0.140) 0.305 31.209 ( -0.109 0.345 0.325) 0.487 31.213 ( -0.152 0.308 0.113) 0.362 50.199 ( 2.263 -2.477 2.111) 3.964 50.250 ( 1.924 -4.388 -2.176) 5.263 50.397 ( -0.954 -7.055 4.060) 8.196 50.495 ( -3.225 -10.730 -4.525) 12.083 ======================= Grid point 157 (60/63) ======================= q-point: (-0.50 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -3.652 9.638 2.551) 10.617 2.052 ( 3.652 9.638 2.551) 10.617 2.137 ( -3.076 7.240 -2.971) 8.409 2.137 ( 3.076 7.240 -2.971) 8.409 2.471 ( -1.386 4.162 -0.004) 4.386 2.471 ( 1.386 4.162 -0.004) 4.386 2.618 ( -1.847 1.175 1.439) 2.620 2.618 ( 1.847 1.175 1.439) 2.620 2.934 ( -1.232 5.166 1.895) 5.639 2.934 ( 1.232 5.166 1.895) 5.639 3.048 ( -2.032 9.607 -3.073) 10.290 3.048 ( 2.032 9.607 -3.073) 10.290 3.367 ( -4.000 -5.655 0.018) 6.926 3.367 ( 4.000 -5.655 0.018) 6.926 3.568 ( -3.397 -7.889 0.084) 8.590 3.568 ( 3.397 -7.889 0.084) 8.590 4.135 ( -0.508 6.000 0.898) 6.088 4.135 ( 0.508 6.000 0.898) 6.088 4.183 ( -0.662 -0.072 -0.389) 0.771 4.183 ( 0.662 -0.072 -0.389) 0.771 4.406 ( -0.504 2.392 0.925) 2.613 4.406 ( 0.504 2.392 0.925) 2.613 4.462 ( -0.416 2.024 0.429) 2.110 4.462 ( 0.416 2.024 0.429) 2.110 4.658 ( -3.161 2.445 5.290) 6.630 4.658 ( 3.161 2.445 5.290) 6.630 4.785 ( -2.665 1.706 3.360) 4.615 4.785 ( 2.665 1.706 3.360) 4.615 5.026 ( -1.117 1.084 3.756) 4.065 5.026 ( 1.117 1.084 3.756) 4.065 5.079 ( -4.637 -1.053 -0.101) 4.756 5.079 ( 4.637 -1.053 -0.101) 4.756 5.338 ( -5.881 6.947 -5.962) 10.881 5.338 ( 5.881 6.947 -5.962) 10.881 5.440 ( -6.308 2.687 -6.289) 9.304 5.440 ( 6.308 2.687 -6.289) 9.304 6.724 ( -1.117 -1.843 0.005) 2.155 6.724 ( 1.117 -1.843 0.005) 2.155 6.750 ( -1.503 -3.264 -1.207) 3.791 6.750 ( 1.503 -3.264 -1.207) 3.791 7.226 ( -0.893 -1.789 -0.073) 2.001 7.226 ( 0.893 -1.789 -0.073) 2.001 7.278 ( -0.804 -3.658 -0.370) 3.764 7.278 ( 0.804 -3.658 -0.370) 3.764 7.551 ( -0.796 -3.190 0.146) 3.291 7.551 ( 0.796 -3.190 0.146) 3.291 7.634 ( -1.065 -7.399 -0.394) 7.485 7.634 ( 1.065 -7.399 -0.394) 7.485 9.030 ( -3.085 4.256 -0.737) 5.308 9.030 ( 3.086 4.256 -0.737) 5.308 9.216 ( -2.577 -4.521 -4.147) 6.655 9.216 ( 2.577 -4.521 -4.147) 6.655 10.651 ( -0.845 7.802 2.374) 8.199 10.651 ( 0.845 7.802 2.374) 8.199 10.721 ( -0.659 4.155 3.142) 5.251 10.721 ( 0.659 4.155 3.142) 5.251 17.144 ( -0.479 1.920 0.607) 2.070 17.144 ( 0.479 1.920 0.607) 2.070 17.167 ( -0.941 0.822 -0.841) 1.506 17.167 ( 0.941 0.822 -0.841) 1.506 17.871 ( -0.501 -0.243 0.051) 0.559 17.871 ( 0.501 -0.243 0.051) 0.559 17.875 ( -0.501 -0.451 -0.164) 0.694 17.875 ( 0.501 -0.451 -0.164) 0.694 31.200 ( -0.106 0.533 0.337) 0.640 31.200 ( 0.106 0.533 0.337) 0.640 31.209 ( -0.132 0.038 0.106) 0.174 31.209 ( 0.132 0.038 0.106) 0.174 50.251 ( -2.136 -2.073 1.603) 3.380 50.251 ( 2.136 -2.073 1.603) 3.380 50.419 ( -3.393 -10.236 -1.882) 10.947 50.419 ( 3.393 -10.236 -1.882) 10.947 ======================= Grid point 160 (61/63) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 0.000 -0.533 -0.645) 0.837 2.099 ( 0.000 0.533 -0.645) 0.837 2.310 ( 0.000 -4.291 3.556) 5.573 2.310 ( 0.000 4.291 3.556) 5.573 2.450 ( 0.000 -4.354 -2.116) 4.842 2.450 ( 0.000 4.354 -2.116) 4.842 2.711 ( 0.000 -0.642 -0.156) 0.661 2.711 ( 0.000 0.642 -0.156) 0.661 2.972 ( 0.000 -4.014 3.256) 5.168 2.972 ( 0.000 4.014 3.256) 5.169 3.045 ( 0.000 -5.502 -3.018) 6.275 3.045 ( 0.000 5.502 -3.018) 6.275 3.348 ( 0.000 -5.613 0.545) 5.639 3.348 ( 0.000 5.613 0.545) 5.639 3.571 ( 0.000 -5.243 -0.496) 5.266 3.571 ( 0.000 5.243 -0.496) 5.266 4.125 ( 0.000 -1.070 -0.995) 1.462 4.125 ( 0.000 1.070 -0.995) 1.462 4.315 ( 0.000 -0.376 -0.307) 0.485 4.315 ( 0.000 0.376 -0.307) 0.485 4.408 ( 0.000 -0.926 -0.482) 1.044 4.408 ( 0.000 0.926 -0.482) 1.044 4.454 ( 0.000 -2.859 0.612) 2.924 4.454 ( 0.000 2.859 0.612) 2.924 4.591 ( 0.000 -0.794 6.876) 6.922 4.591 ( 0.000 0.794 6.876) 6.922 4.793 ( 0.000 -0.040 -0.461) 0.462 4.793 ( 0.000 0.040 -0.461) 0.462 4.914 ( 0.000 -3.180 10.365) 10.842 4.914 ( 0.000 3.180 10.365) 10.842 5.071 ( 0.000 -4.496 -3.461) 5.674 5.071 ( 0.000 4.496 -3.461) 5.674 5.336 ( 0.000 -1.202 -4.498) 4.656 5.336 ( 0.000 1.202 -4.498) 4.656 5.681 ( 0.000 -0.523 -7.294) 7.313 5.681 ( 0.000 0.523 -7.294) 7.313 6.663 ( 0.000 -0.176 -0.944) 0.961 6.663 ( 0.000 0.176 -0.944) 0.961 6.778 ( 0.000 -0.687 -0.385) 0.787 6.778 ( 0.000 0.687 -0.385) 0.787 7.162 ( 0.000 -0.521 0.115) 0.533 7.162 ( 0.000 0.521 0.115) 0.533 7.222 ( 0.000 -0.769 -0.632) 0.995 7.222 ( 0.000 0.769 -0.632) 0.995 7.528 ( 0.000 -0.715 1.853) 1.986 7.528 ( 0.000 0.715 1.853) 1.986 7.573 ( 0.000 -0.430 -2.019) 2.064 7.573 ( 0.000 0.430 -2.019) 2.064 8.902 ( 0.000 -1.589 -4.021) 4.324 8.902 ( 0.000 1.589 -4.021) 4.324 9.355 ( 0.000 -0.524 -0.266) 0.588 9.355 ( 0.000 0.524 -0.266) 0.588 10.690 ( 0.000 -0.726 4.611) 4.668 10.690 ( 0.000 0.726 4.611) 4.668 10.798 ( 0.000 -0.541 0.868) 1.023 10.798 ( 0.000 0.541 0.869) 1.023 17.151 ( 0.000 -0.117 0.079) 0.141 17.151 ( 0.000 0.117 0.079) 0.141 17.187 ( 0.000 -0.800 -0.222) 0.830 17.187 ( 0.000 0.800 -0.222) 0.830 17.855 ( 0.000 -0.057 0.001) 0.057 17.855 ( 0.000 0.057 0.001) 0.057 17.883 ( 0.000 -0.046 -0.086) 0.097 17.883 ( 0.000 0.046 -0.086) 0.097 31.197 ( 0.000 -0.022 0.176) 0.177 31.197 ( 0.000 0.022 0.176) 0.177 31.219 ( 0.000 -0.097 0.428) 0.439 31.219 ( 0.000 0.097 0.428) 0.439 50.159 ( 0.000 -1.059 -0.410) 1.135 50.159 ( 0.000 1.059 -0.410) 1.135 50.385 ( 0.000 -3.096 -0.422) 3.124 50.385 ( 0.000 3.096 -0.422) 3.124 ======================= Grid point 162 (62/63) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 2.161 -1.918 0.019) 2.889 2.123 ( 2.161 1.918 0.019) 2.889 2.261 ( -3.937 -2.440 2.194) 5.126 2.261 ( -3.937 2.440 2.194) 5.126 2.473 ( 2.684 -2.362 -1.272) 3.795 2.473 ( 2.684 2.362 -1.272) 3.795 2.686 ( -4.073 -1.220 0.111) 4.253 2.686 ( -4.073 1.220 0.111) 4.253 2.988 ( 3.439 -4.318 4.276) 6.982 2.988 ( 3.439 4.318 4.276) 6.982 3.087 ( 2.280 -7.124 -4.455) 8.705 3.087 ( 2.280 7.124 -4.455) 8.705 3.337 ( -0.145 -4.877 0.486) 4.904 3.337 ( -0.145 4.877 0.486) 4.904 3.516 ( -5.157 -4.841 -0.518) 7.092 3.516 ( -5.157 4.841 -0.518) 7.092 4.141 ( 1.456 -0.791 -0.481) 1.725 4.141 ( 1.456 0.791 -0.481) 1.725 4.250 ( -4.195 -0.239 -0.145) 4.204 4.250 ( -4.195 0.239 -0.145) 4.204 4.432 ( 1.692 -0.829 -0.084) 1.886 4.432 ( 1.692 0.829 -0.084) 1.887 4.467 ( 0.497 -1.370 -0.161) 1.466 4.467 ( 0.497 1.370 -0.161) 1.466 4.646 ( 4.306 -2.389 8.135) 9.510 4.646 ( 4.306 2.389 8.135) 9.510 4.796 ( -1.302 -2.521 2.550) 3.815 4.796 ( -1.302 2.521 2.550) 3.815 4.956 ( 4.740 -1.214 5.980) 7.727 4.956 ( 4.740 1.214 5.980) 7.727 5.082 ( 0.576 -3.402 -2.672) 4.364 5.082 ( 0.576 3.402 -2.672) 4.364 5.344 ( 1.602 -1.582 -5.502) 5.945 5.344 ( 1.602 1.582 -5.502) 5.945 5.607 ( -6.884 -1.701 -7.095) 10.031 5.607 ( -6.884 1.701 -7.095) 10.031 6.673 ( 1.138 -0.243 -0.877) 1.457 6.673 ( 1.138 0.243 -0.877) 1.457 6.760 ( -1.822 -0.610 -0.478) 1.980 6.760 ( -1.822 0.610 -0.478) 1.980 7.183 ( 1.886 -0.666 -0.211) 2.011 7.183 ( 1.886 0.666 -0.211) 2.011 7.234 ( 0.654 -0.677 -0.245) 0.972 7.234 ( 0.654 0.677 -0.245) 0.972 7.528 ( 0.109 -1.398 1.305) 1.916 7.528 ( 0.109 1.398 1.305) 1.916 7.561 ( -1.014 -1.538 -1.616) 2.451 7.561 ( -1.014 1.539 -1.616) 2.451 8.964 ( 5.864 -1.620 -3.410) 6.974 8.964 ( 5.864 1.620 -3.410) 6.974 9.285 ( -6.512 -1.035 -0.750) 6.636 9.285 ( -6.512 1.035 -0.750) 6.636 10.707 ( 1.619 -0.707 4.055) 4.423 10.707 ( 1.619 0.708 4.055) 4.423 10.783 ( -1.359 -0.591 1.421) 2.053 10.783 ( -1.359 0.591 1.421) 2.053 17.156 ( 0.483 -0.269 0.038) 0.555 17.156 ( 0.483 0.269 0.038) 0.555 17.182 ( -0.510 -0.714 -0.174) 0.895 17.182 ( -0.510 0.714 -0.174) 0.895 17.860 ( 0.394 -0.065 -0.015) 0.399 17.860 ( 0.394 0.065 -0.015) 0.399 17.879 ( -0.361 -0.060 -0.076) 0.374 17.879 ( -0.361 0.060 -0.076) 0.374 31.200 ( 0.296 -0.062 0.215) 0.371 31.200 ( 0.296 0.062 0.215) 0.371 31.215 ( -0.290 -0.102 0.393) 0.499 31.215 ( -0.290 0.102 0.393) 0.499 50.192 ( 3.109 -1.534 -0.415) 3.491 50.192 ( 3.109 1.534 -0.415) 3.491 50.352 ( -3.094 -2.888 -0.424) 4.254 50.352 ( -3.094 2.888 -0.424) 4.254 ======================= Grid point 164 (63/63) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -3.208 -2.621 0.894) 4.238 2.181 ( 0.528 -2.090 0.894) 2.333 2.181 ( -0.528 2.090 0.894) 2.333 2.181 ( 3.208 2.621 0.894) 4.238 2.566 ( -4.205 -4.224 0.157) 5.962 2.566 ( -2.358 -3.849 0.157) 4.517 2.566 ( 2.358 3.849 0.156) 4.517 2.566 ( 4.205 4.224 0.157) 5.962 3.077 ( -3.539 -6.758 -0.055) 7.629 3.077 ( 3.478 -6.750 -0.055) 7.594 3.077 ( -3.478 6.750 -0.055) 7.594 3.077 ( 3.539 6.758 -0.055) 7.629 3.392 ( -4.081 -8.090 -0.605) 9.081 3.392 ( 1.227 -7.853 -0.605) 7.971 3.392 ( -1.227 7.853 -0.605) 7.971 3.392 ( 4.081 8.090 -0.605) 9.081 4.181 ( -2.548 -0.449 -0.084) 2.588 4.181 ( -2.487 0.353 -0.084) 2.513 4.181 ( 2.487 -0.353 -0.084) 2.513 4.181 ( 2.548 0.449 -0.084) 2.588 4.462 ( -0.596 -1.892 0.024) 1.983 4.462 ( 0.195 -1.870 0.024) 1.881 4.462 ( -0.195 1.871 0.024) 1.881 4.462 ( 0.596 1.892 0.024) 1.984 4.735 ( -3.651 -4.622 6.968) 9.124 4.735 ( 2.033 -4.366 6.968) 8.471 4.735 ( -2.033 4.366 6.968) 8.471 4.735 ( 3.651 4.622 6.968) 9.124 5.057 ( -3.623 -1.569 0.178) 3.952 5.057 ( -2.550 0.898 0.178) 2.710 5.057 ( 2.550 -0.898 0.178) 2.710 5.057 ( 3.623 1.569 0.178) 3.952 5.442 ( -7.741 -2.689 -6.750) 10.617 5.442 ( -5.991 1.105 -6.750) 9.093 5.442 ( 5.991 -1.105 -6.750) 9.093 5.442 ( 7.741 2.689 -6.750) 10.617 6.712 ( -2.427 -0.508 -0.699) 2.576 6.712 ( -2.235 0.184 -0.699) 2.349 6.712 ( 2.235 -0.184 -0.699) 2.349 6.712 ( 2.427 0.508 -0.699) 2.576 7.225 ( -1.233 -1.351 -0.188) 1.839 7.225 ( -0.319 -1.213 -0.188) 1.268 7.225 ( 0.319 1.213 -0.188) 1.268 7.225 ( 1.233 1.351 -0.188) 1.839 7.539 ( -0.921 -2.006 -0.230) 2.219 7.539 ( 0.850 -1.998 -0.230) 2.184 7.539 ( -0.850 1.999 -0.229) 2.184 7.539 ( 0.921 2.006 -0.230) 2.219 9.120 ( -6.999 -3.894 -2.016) 8.259 9.120 ( -4.767 -2.932 -2.016) 5.949 9.120 ( 4.767 2.932 -2.016) 5.949 9.120 ( 6.999 3.894 -2.016) 8.259 10.747 ( -1.510 -1.568 2.738) 3.497 10.747 ( -0.463 -1.393 2.738) 3.107 10.747 ( 0.463 1.394 2.738) 3.107 10.747 ( 1.510 1.568 2.738) 3.498 17.169 ( -0.669 -0.565 -0.064) 0.878 17.169 ( 0.345 -0.487 -0.064) 0.601 17.169 ( -0.345 0.487 -0.064) 0.601 17.169 ( 0.669 0.565 -0.064) 0.878 17.870 ( -0.529 -0.078 -0.048) 0.536 17.870 ( -0.520 0.060 -0.048) 0.525 17.870 ( 0.520 -0.060 -0.048) 0.525 17.870 ( 0.529 0.078 -0.048) 0.536 31.208 ( -0.353 -0.179 0.306) 0.500 31.208 ( -0.213 -0.110 0.306) 0.389 31.208 ( 0.213 0.110 0.306) 0.389 31.208 ( 0.353 0.179 0.306) 0.500 50.272 ( -3.456 -3.989 -0.423) 5.295 50.272 ( 0.147 -3.597 -0.423) 3.624 50.272 ( -0.147 3.597 -0.423) 3.624 50.272 ( 3.456 3.989 -0.423) 5.295 =================== 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 3/17280 10.0 261.105 339.235 176.585 0.000 0.000 -0.000 3/17280 20.0 72.283 130.190 53.401 0.000 0.000 -0.000 3/17280 30.0 31.229 62.591 23.193 0.000 0.000 0.000 3/17280 40.0 17.742 37.468 13.478 0.000 0.000 0.000 3/17280 50.0 11.982 25.980 9.238 0.000 0.000 0.000 3/17280 60.0 8.944 19.689 6.947 0.000 0.000 0.000 3/17280 70.0 7.102 15.794 5.536 0.000 0.000 0.000 3/17280 80.0 5.878 13.175 4.591 0.000 0.000 0.000 3/17280 90.0 5.011 11.305 3.918 0.000 0.000 0.000 3/17280 100.0 4.368 9.910 3.418 0.000 0.000 0.000 3/17280 110.0 3.873 8.830 3.033 0.000 0.000 0.000 3/17280 120.0 3.480 7.970 2.729 0.000 0.000 0.000 3/17280 130.0 3.161 7.268 2.482 0.000 0.000 0.000 3/17280 140.0 2.898 6.685 2.279 0.000 0.000 0.000 3/17280 150.0 2.676 6.192 2.109 0.000 0.000 0.000 3/17280 160.0 2.486 5.769 1.966 0.000 0.000 0.000 3/17280 170.0 2.323 5.403 1.844 0.000 0.000 0.000 3/17280 180.0 2.180 5.082 1.740 0.000 0.000 0.000 3/17280 190.0 2.054 4.798 1.649 0.000 0.000 0.000 3/17280 200.0 1.943 4.546 1.571 0.000 0.000 0.000 3/17280 210.0 1.843 4.320 1.503 0.000 0.000 0.000 3/17280 220.0 1.753 4.116 1.443 0.000 0.000 0.000 3/17280 230.0 1.672 3.932 1.390 0.000 0.000 0.000 3/17280 240.0 1.598 3.764 1.344 0.000 0.000 0.000 3/17280 250.0 1.531 3.610 1.302 0.000 0.000 0.000 3/17280 260.0 1.469 3.469 1.265 0.000 0.000 0.000 3/17280 270.0 1.412 3.339 1.232 0.000 0.000 0.000 3/17280 280.0 1.360 3.218 1.201 0.000 0.000 0.000 3/17280 290.0 1.311 3.107 1.174 0.000 0.000 0.000 3/17280 300.0 1.266 3.003 1.149 0.000 0.000 0.000 3/17280 310.0 1.224 2.906 1.125 0.000 0.000 0.000 3/17280 320.0 1.184 2.816 1.104 0.000 0.000 0.000 3/17280 330.0 1.148 2.731 1.084 0.000 0.000 0.000 3/17280 340.0 1.113 2.651 1.065 0.000 0.000 0.000 3/17280 350.0 1.080 2.576 1.047 0.000 0.000 0.000 3/17280 360.0 1.050 2.506 1.030 0.000 0.000 0.000 3/17280 370.0 1.021 2.439 1.014 0.000 0.000 0.000 3/17280 380.0 0.994 2.376 0.999 0.000 0.000 0.000 3/17280 390.0 0.968 2.316 0.985 0.000 0.000 0.000 3/17280 400.0 0.943 2.259 0.971 0.000 0.000 0.000 3/17280 410.0 0.920 2.205 0.957 0.000 0.000 0.000 3/17280 420.0 0.898 2.154 0.944 0.000 0.000 0.000 3/17280 430.0 0.877 2.105 0.931 0.000 0.000 0.000 3/17280 440.0 0.857 2.058 0.919 0.000 0.000 0.000 3/17280 450.0 0.837 2.013 0.907 0.000 0.000 0.000 3/17280 460.0 0.819 1.971 0.896 0.000 0.000 0.000 3/17280 470.0 0.802 1.930 0.884 0.000 0.000 0.000 3/17280 480.0 0.785 1.891 0.873 0.000 0.000 0.000 3/17280 490.0 0.769 1.853 0.863 0.000 0.000 0.000 3/17280 500.0 0.753 1.818 0.852 0.000 0.000 0.000 3/17280 510.0 0.739 1.783 0.842 0.000 0.000 0.000 3/17280 520.0 0.724 1.750 0.832 0.000 0.000 0.000 3/17280 530.0 0.711 1.718 0.822 0.000 0.000 0.000 3/17280 540.0 0.698 1.687 0.812 0.000 0.000 0.000 3/17280 550.0 0.685 1.657 0.803 0.000 0.000 0.000 3/17280 560.0 0.673 1.629 0.794 0.000 0.000 0.000 3/17280 570.0 0.661 1.601 0.785 0.000 0.000 0.000 3/17280 580.0 0.650 1.574 0.776 0.000 0.000 0.000 3/17280 590.0 0.639 1.549 0.767 0.000 0.000 0.000 3/17280 600.0 0.628 1.524 0.758 0.000 0.000 0.000 3/17280 610.0 0.618 1.500 0.750 0.000 0.000 0.000 3/17280 620.0 0.608 1.476 0.742 0.000 0.000 0.000 3/17280 630.0 0.598 1.454 0.734 0.000 0.000 0.000 3/17280 640.0 0.589 1.432 0.726 0.000 0.000 0.000 3/17280 650.0 0.580 1.411 0.718 0.000 0.000 0.000 3/17280 660.0 0.571 1.390 0.710 0.000 0.000 0.000 3/17280 670.0 0.563 1.370 0.703 0.000 0.000 0.000 3/17280 680.0 0.555 1.351 0.695 0.000 0.000 0.000 3/17280 690.0 0.547 1.332 0.688 0.000 0.000 0.000 3/17280 700.0 0.539 1.314 0.681 0.000 0.000 0.000 3/17280 710.0 0.532 1.296 0.674 0.000 0.000 0.000 3/17280 720.0 0.524 1.279 0.667 0.000 0.000 0.000 3/17280 730.0 0.517 1.262 0.660 0.000 0.000 0.000 3/17280 740.0 0.510 1.246 0.654 0.000 0.000 0.000 3/17280 750.0 0.504 1.230 0.647 0.000 0.000 0.000 3/17280 760.0 0.497 1.214 0.641 0.000 0.000 0.000 3/17280 770.0 0.491 1.199 0.634 0.000 0.000 0.000 3/17280 780.0 0.485 1.184 0.628 0.000 0.000 0.000 3/17280 790.0 0.478 1.170 0.622 0.000 0.000 0.000 3/17280 800.0 0.473 1.156 0.616 0.000 0.000 0.000 3/17280 810.0 0.467 1.142 0.610 0.000 0.000 0.000 3/17280 820.0 0.461 1.129 0.604 0.000 0.000 0.000 3/17280 830.0 0.456 1.116 0.599 0.000 0.000 0.000 3/17280 840.0 0.450 1.103 0.593 0.000 0.000 0.000 3/17280 850.0 0.445 1.091 0.588 0.000 0.000 0.000 3/17280 860.0 0.440 1.079 0.582 0.000 0.000 0.000 3/17280 870.0 0.435 1.067 0.577 0.000 0.000 0.000 3/17280 880.0 0.430 1.055 0.572 0.000 0.000 0.000 3/17280 890.0 0.426 1.044 0.567 0.000 0.000 0.000 3/17280 900.0 0.421 1.033 0.562 0.000 0.000 0.000 3/17280 910.0 0.416 1.022 0.557 0.000 0.000 0.000 3/17280 920.0 0.412 1.012 0.552 0.000 0.000 0.000 3/17280 930.0 0.408 1.001 0.547 0.000 0.000 0.000 3/17280 940.0 0.403 0.991 0.542 0.000 0.000 0.000 3/17280 950.0 0.399 0.981 0.537 0.000 0.000 0.000 3/17280 960.0 0.395 0.971 0.533 0.000 0.000 0.000 3/17280 970.0 0.391 0.962 0.528 0.000 0.000 0.000 3/17280 980.0 0.387 0.953 0.524 0.000 0.000 0.000 3/17280 990.0 0.383 0.943 0.519 0.000 0.000 0.000 3/17280 1000.0 0.380 0.934 0.515 0.000 0.000 0.000 3/17280 Thermal conductivity related properties were written into "kappa-m4125.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:25:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|