----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:35:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.293656470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.155265829999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.360304809999999 Atomic positions (fractional): *1 H 0.44830940905161 0.25000000000000 0.72921837752901 1.008 2 H 0.55169059094839 0.75000000000000 0.27078162247099 1.008 3 H 0.05169059094839 0.75000000000000 0.22921837752901 1.008 4 H 0.94830940905161 0.25000000000000 0.77078162247099 1.008 *5 O 0.54041160429820 0.25000000000000 0.81341163091280 15.999 6 O 0.45958839570180 0.75000000000000 0.18658836908720 15.999 7 O 0.95958839570180 0.75000000000000 0.31341163091280 15.999 8 O 0.04041160429820 0.25000000000000 0.68658836908720 15.999 *9 O 0.47817348026776 0.25000000000000 0.44336940031606 15.999 10 O 0.52182651973224 0.75000000000000 0.55663059968394 15.999 11 O 0.02182651973224 0.75000000000000 0.94336940031606 15.999 12 O 0.97817348026776 0.25000000000000 0.05663059968394 15.999 *13 O 0.72082241027495 0.45473996545366 0.12464770313104 15.999 14 O 0.27917758972505 0.95473996545366 0.87535229686896 15.999 15 O 0.77917758972505 0.54526003454634 0.62464770313104 15.999 16 O 0.22082241027495 0.04526003454634 0.37535229686896 15.999 17 O 0.27917758972505 0.54526003454634 0.87535229686896 15.999 18 O 0.72082241027495 0.04526003454634 0.12464770313104 15.999 19 O 0.22082241027495 0.45473996545366 0.37535229686896 15.999 20 O 0.77917758972505 0.95473996545366 0.62464770313104 15.999 *21 O 0.86579900899153 0.25000000000000 0.37315687215129 15.999 22 O 0.13420099100847 0.75000000000000 0.62684312784871 15.999 23 O 0.63420099100847 0.75000000000000 0.87315687215129 15.999 24 O 0.36579900899153 0.25000000000000 0.12684312784871 15.999 *25 Mg 0.67822885065300 0.25000000000000 0.57756959647084 24.305 26 Mg 0.32177114934700 0.75000000000000 0.42243040352916 24.305 27 Mg 0.82177114934700 0.75000000000000 0.07756959647084 24.305 28 Mg 0.17822885065300 0.25000000000000 0.92243040352916 24.305 *29 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 30 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 31 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 32 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 *33 P 0.32304316044375 0.25000000000000 0.33463111622786 30.974 34 P 0.67695683955625 0.75000000000000 0.66536888377214 30.974 35 P 0.17695683955625 0.75000000000000 0.83463111622786 30.974 36 P 0.82304316044375 0.25000000000000 0.16536888377214 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.293656470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.155265829999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.360304809999999 Atomic positions (fractional): *1 H 0.44830940905161 0.25000000000000 0.72921837752901 1.008 > 1 2 H 0.55169059094839 0.75000000000000 0.27078162247099 1.008 > 2 3 H 0.05169059094839 0.75000000000000 0.22921837752901 1.008 > 3 4 H 0.94830940905161 0.25000000000000 0.77078162247099 1.008 > 4 *5 O 0.54041160429820 0.25000000000000 0.81341163091280 15.999 > 5 6 O 0.45958839570180 0.75000000000000 0.18658836908720 15.999 > 6 7 O 0.95958839570180 0.75000000000000 0.31341163091280 15.999 > 7 8 O 0.04041160429820 0.25000000000000 0.68658836908720 15.999 > 8 *9 O 0.47817348026776 0.25000000000000 0.44336940031606 15.999 > 9 10 O 0.52182651973224 0.75000000000000 0.55663059968394 15.999 > 10 11 O 0.02182651973224 0.75000000000000 0.94336940031606 15.999 > 11 12 O 0.97817348026776 0.25000000000000 0.05663059968394 15.999 > 12 *13 O 0.72082241027495 0.45473996545366 0.12464770313104 15.999 > 13 14 O 0.27917758972505 0.95473996545366 0.87535229686896 15.999 > 14 15 O 0.77917758972505 0.54526003454634 0.62464770313104 15.999 > 15 16 O 0.22082241027495 0.04526003454634 0.37535229686896 15.999 > 16 17 O 0.27917758972505 0.54526003454634 0.87535229686896 15.999 > 17 18 O 0.72082241027495 0.04526003454634 0.12464770313104 15.999 > 18 19 O 0.22082241027495 0.45473996545366 0.37535229686896 15.999 > 19 20 O 0.77917758972505 0.95473996545366 0.62464770313104 15.999 > 20 *21 O 0.86579900899153 0.25000000000000 0.37315687215129 15.999 > 21 22 O 0.13420099100847 0.75000000000000 0.62684312784871 15.999 > 22 23 O 0.63420099100847 0.75000000000000 0.87315687215129 15.999 > 23 24 O 0.36579900899153 0.25000000000000 0.12684312784871 15.999 > 24 *25 Mg 0.67822885065300 0.25000000000000 0.57756959647084 24.305 > 25 26 Mg 0.32177114934700 0.75000000000000 0.42243040352916 24.305 > 26 27 Mg 0.82177114934700 0.75000000000000 0.07756959647084 24.305 > 27 28 Mg 0.17822885065300 0.25000000000000 0.92243040352916 24.305 > 28 *29 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 29 30 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 30 31 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 31 32 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 32 *33 P 0.32304316044375 0.25000000000000 0.33463111622786 30.974 > 33 34 P 0.67695683955625 0.75000000000000 0.66536888377214 30.974 > 34 35 P 0.17695683955625 0.75000000000000 0.83463111622786 30.974 > 35 36 P 0.82304316044375 0.25000000000000 0.16536888377214 30.974 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.293656470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.310531659999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.720609619999998 Atomic positions (fractional): *1 H 0.44830940905161 0.12500000000000 0.36460918876450 1.008 > 1 2 H 0.44830940905161 0.62500000000000 0.36460918876450 1.008 > 1 3 H 0.44830940905161 0.12500000000000 0.86460918876450 1.008 > 1 4 H 0.44830940905161 0.62500000000000 0.86460918876450 1.008 > 1 5 H 0.55169059094839 0.37500000000000 0.13539081123550 1.008 > 2 6 H 0.55169059094839 0.87500000000000 0.13539081123550 1.008 > 2 7 H 0.55169059094839 0.37500000000000 0.63539081123550 1.008 > 2 8 H 0.55169059094839 0.87500000000000 0.63539081123550 1.008 > 2 9 H 0.05169059094839 0.37500000000000 0.11460918876451 1.008 > 3 10 H 0.05169059094839 0.87500000000000 0.11460918876451 1.008 > 3 11 H 0.05169059094839 0.37500000000000 0.61460918876450 1.008 > 3 12 H 0.05169059094839 0.87500000000000 0.61460918876450 1.008 > 3 13 H 0.94830940905161 0.12500000000000 0.38539081123550 1.008 > 4 14 H 0.94830940905161 0.62500000000000 0.38539081123550 1.008 > 4 15 H 0.94830940905161 0.12500000000000 0.88539081123550 1.008 > 4 16 H 0.94830940905161 0.62500000000000 0.88539081123550 1.008 > 4 *17 O 0.54041160429820 0.12500000000000 0.40670581545640 15.999 > 5 18 O 0.54041160429820 0.62500000000000 0.40670581545640 15.999 > 5 19 O 0.54041160429820 0.12500000000000 0.90670581545640 15.999 > 5 20 O 0.54041160429820 0.62500000000000 0.90670581545640 15.999 > 5 21 O 0.45958839570180 0.37500000000000 0.09329418454360 15.999 > 6 22 O 0.45958839570180 0.87500000000000 0.09329418454360 15.999 > 6 23 O 0.45958839570180 0.37500000000000 0.59329418454360 15.999 > 6 24 O 0.45958839570180 0.87500000000000 0.59329418454360 15.999 > 6 25 O 0.95958839570180 0.37500000000000 0.15670581545640 15.999 > 7 26 O 0.95958839570180 0.87500000000000 0.15670581545640 15.999 > 7 27 O 0.95958839570180 0.37500000000000 0.65670581545640 15.999 > 7 28 O 0.95958839570180 0.87500000000000 0.65670581545640 15.999 > 7 29 O 0.04041160429820 0.12500000000000 0.34329418454360 15.999 > 8 30 O 0.04041160429820 0.62500000000000 0.34329418454360 15.999 > 8 31 O 0.04041160429820 0.12500000000000 0.84329418454360 15.999 > 8 32 O 0.04041160429820 0.62500000000000 0.84329418454360 15.999 > 8 *33 O 0.47817348026776 0.12500000000000 0.22168470015803 15.999 > 9 34 O 0.47817348026776 0.62500000000000 0.22168470015803 15.999 > 9 35 O 0.47817348026776 0.12500000000000 0.72168470015803 15.999 > 9 36 O 0.47817348026776 0.62500000000000 0.72168470015803 15.999 > 9 37 O 0.52182651973224 0.37500000000000 0.27831529984197 15.999 > 10 38 O 0.52182651973224 0.87500000000000 0.27831529984197 15.999 > 10 39 O 0.52182651973224 0.37500000000000 0.77831529984197 15.999 > 10 40 O 0.52182651973224 0.87500000000000 0.77831529984197 15.999 > 10 41 O 0.02182651973224 0.37500000000000 0.47168470015803 15.999 > 11 42 O 0.02182651973224 0.87500000000000 0.47168470015803 15.999 > 11 43 O 0.02182651973224 0.37500000000000 0.97168470015803 15.999 > 11 44 O 0.02182651973224 0.87500000000000 0.97168470015803 15.999 > 11 45 O 0.97817348026776 0.12500000000000 0.02831529984197 15.999 > 12 46 O 0.97817348026776 0.62500000000000 0.02831529984197 15.999 > 12 47 O 0.97817348026776 0.12500000000000 0.52831529984197 15.999 > 12 48 O 0.97817348026776 0.62500000000000 0.52831529984197 15.999 > 12 *49 O 0.72082241027495 0.22736998272683 0.06232385156552 15.999 > 13 50 O 0.72082241027495 0.72736998272683 0.06232385156552 15.999 > 13 51 O 0.72082241027495 0.22736998272683 0.56232385156552 15.999 > 13 52 O 0.72082241027495 0.72736998272683 0.56232385156552 15.999 > 13 53 O 0.27917758972505 0.47736998272683 0.43767614843448 15.999 > 14 54 O 0.27917758972505 0.97736998272683 0.43767614843448 15.999 > 14 55 O 0.27917758972505 0.47736998272683 0.93767614843448 15.999 > 14 56 O 0.27917758972505 0.97736998272683 0.93767614843448 15.999 > 14 57 O 0.77917758972505 0.27263001727317 0.31232385156552 15.999 > 15 58 O 0.77917758972505 0.77263001727317 0.31232385156552 15.999 > 15 59 O 0.77917758972505 0.27263001727317 0.81232385156552 15.999 > 15 60 O 0.77917758972505 0.77263001727317 0.81232385156552 15.999 > 15 61 O 0.22082241027495 0.02263001727317 0.18767614843448 15.999 > 16 62 O 0.22082241027495 0.52263001727317 0.18767614843448 15.999 > 16 63 O 0.22082241027495 0.02263001727317 0.68767614843448 15.999 > 16 64 O 0.22082241027495 0.52263001727317 0.68767614843448 15.999 > 16 65 O 0.27917758972505 0.27263001727317 0.43767614843448 15.999 > 17 66 O 0.27917758972505 0.77263001727317 0.43767614843448 15.999 > 17 67 O 0.27917758972505 0.27263001727317 0.93767614843448 15.999 > 17 68 O 0.27917758972505 0.77263001727317 0.93767614843448 15.999 > 17 69 O 0.72082241027495 0.02263001727317 0.06232385156552 15.999 > 18 70 O 0.72082241027495 0.52263001727317 0.06232385156552 15.999 > 18 71 O 0.72082241027495 0.02263001727317 0.56232385156552 15.999 > 18 72 O 0.72082241027495 0.52263001727317 0.56232385156552 15.999 > 18 73 O 0.22082241027495 0.22736998272683 0.18767614843448 15.999 > 19 74 O 0.22082241027495 0.72736998272683 0.18767614843448 15.999 > 19 75 O 0.22082241027495 0.22736998272683 0.68767614843448 15.999 > 19 76 O 0.22082241027495 0.72736998272683 0.68767614843448 15.999 > 19 77 O 0.77917758972505 0.47736998272683 0.31232385156552 15.999 > 20 78 O 0.77917758972505 0.97736998272683 0.31232385156552 15.999 > 20 79 O 0.77917758972505 0.47736998272683 0.81232385156552 15.999 > 20 80 O 0.77917758972505 0.97736998272683 0.81232385156552 15.999 > 20 *81 O 0.86579900899153 0.12500000000000 0.18657843607565 15.999 > 21 82 O 0.86579900899153 0.62500000000000 0.18657843607565 15.999 > 21 83 O 0.86579900899153 0.12500000000000 0.68657843607565 15.999 > 21 84 O 0.86579900899153 0.62500000000000 0.68657843607565 15.999 > 21 85 O 0.13420099100847 0.37500000000000 0.31342156392435 15.999 > 22 86 O 0.13420099100847 0.87500000000000 0.31342156392435 15.999 > 22 87 O 0.13420099100847 0.37500000000000 0.81342156392435 15.999 > 22 88 O 0.13420099100847 0.87500000000000 0.81342156392435 15.999 > 22 89 O 0.63420099100847 0.37500000000000 0.43657843607565 15.999 > 23 90 O 0.63420099100847 0.87500000000000 0.43657843607565 15.999 > 23 91 O 0.63420099100847 0.37500000000000 0.93657843607565 15.999 > 23 92 O 0.63420099100847 0.87500000000000 0.93657843607565 15.999 > 23 93 O 0.36579900899153 0.12500000000000 0.06342156392435 15.999 > 24 94 O 0.36579900899153 0.62500000000000 0.06342156392435 15.999 > 24 95 O 0.36579900899153 0.12500000000000 0.56342156392435 15.999 > 24 96 O 0.36579900899153 0.62500000000000 0.56342156392435 15.999 > 24 *97 Mg 0.67822885065300 0.12500000000000 0.28878479823542 24.305 > 25 98 Mg 0.67822885065300 0.62500000000000 0.28878479823542 24.305 > 25 99 Mg 0.67822885065300 0.12500000000000 0.78878479823542 24.305 > 25 100 Mg 0.67822885065300 0.62500000000000 0.78878479823542 24.305 > 25 101 Mg 0.32177114934700 0.37500000000000 0.21121520176458 24.305 > 26 102 Mg 0.32177114934700 0.87500000000000 0.21121520176458 24.305 > 26 103 Mg 0.32177114934700 0.37500000000000 0.71121520176458 24.305 > 26 104 Mg 0.32177114934700 0.87500000000000 0.71121520176458 24.305 > 26 105 Mg 0.82177114934700 0.37500000000000 0.03878479823542 24.305 > 27 106 Mg 0.82177114934700 0.87500000000000 0.03878479823542 24.305 > 27 107 Mg 0.82177114934700 0.37500000000000 0.53878479823542 24.305 > 27 108 Mg 0.82177114934700 0.87500000000000 0.53878479823542 24.305 > 27 109 Mg 0.17822885065300 0.12500000000000 0.46121520176458 24.305 > 28 110 Mg 0.17822885065300 0.62500000000000 0.46121520176458 24.305 > 28 111 Mg 0.17822885065300 0.12500000000000 0.96121520176458 24.305 > 28 112 Mg 0.17822885065300 0.62500000000000 0.96121520176458 24.305 > 28 *113 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 29 114 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 29 115 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 29 116 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 29 117 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 30 118 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 30 119 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 30 120 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 30 121 Mg 0.00000000000000 0.25000000000000 0.25000000000000 24.305 > 31 122 Mg 0.00000000000000 0.75000000000000 0.25000000000000 24.305 > 31 123 Mg 0.00000000000000 0.25000000000000 0.75000000000000 24.305 > 31 124 Mg 0.00000000000000 0.75000000000000 0.75000000000000 24.305 > 31 125 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 32 126 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 32 127 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 32 128 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 32 *129 P 0.32304316044375 0.12500000000000 0.16731555811393 30.974 > 33 130 P 0.32304316044375 0.62500000000000 0.16731555811393 30.974 > 33 131 P 0.32304316044375 0.12500000000000 0.66731555811393 30.974 > 33 132 P 0.32304316044375 0.62500000000000 0.66731555811393 30.974 > 33 133 P 0.67695683955625 0.37500000000000 0.33268444188607 30.974 > 34 134 P 0.67695683955625 0.87500000000000 0.33268444188607 30.974 > 34 135 P 0.67695683955625 0.37500000000000 0.83268444188607 30.974 > 34 136 P 0.67695683955625 0.87500000000000 0.83268444188607 30.974 > 34 137 P 0.17695683955625 0.37500000000000 0.41731555811393 30.974 > 35 138 P 0.17695683955625 0.87500000000000 0.41731555811393 30.974 > 35 139 P 0.17695683955625 0.37500000000000 0.91731555811393 30.974 > 35 140 P 0.17695683955625 0.87500000000000 0.91731555811393 30.974 > 35 141 P 0.82304316044375 0.12500000000000 0.08268444188607 30.974 > 36 142 P 0.82304316044375 0.62500000000000 0.08268444188607 30.974 > 36 143 P 0.82304316044375 0.12500000000000 0.58268444188607 30.974 > 36 144 P 0.82304316044375 0.62500000000000 0.58268444188607 30.974 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6583256 0.0000000 0.0000000 0.0000000 2.6548912 0.0000000 0.0000000 0.0000000 2.6493863 -------------------------- Born effective charges -------------------------- 1 H 0.2638931 0.0000000 -0.0556343 0.0000000 0.4222962 0.0000000 -0.0466473 0.0000000 0.6237660 2 H 0.2638931 0.0000000 -0.0556343 0.0000000 0.4222962 0.0000000 -0.0466473 0.0000000 0.6237660 3 H 0.2638931 0.0000000 0.0556343 0.0000000 0.4222962 0.0000000 0.0466473 0.0000000 0.6237660 4 H 0.2638931 0.0000000 0.0556343 0.0000000 0.4222962 0.0000000 0.0466473 0.0000000 0.6237660 5 O -1.1838947 0.0000000 0.1598784 0.0000000 -1.4109448 0.0000000 0.1952534 0.0000000 -1.5764297 6 O -1.1838947 0.0000000 0.1598784 0.0000000 -1.4109448 0.0000000 0.1952534 0.0000000 -1.5764297 7 O -1.1838947 0.0000000 -0.1598784 0.0000000 -1.4109448 0.0000000 -0.1952534 0.0000000 -1.5764297 8 O -1.1838947 0.0000000 -0.1598784 0.0000000 -1.4109448 0.0000000 -0.1952534 0.0000000 -1.5764297 9 O -2.0579842 0.0000000 -0.6134222 0.0000000 -1.1000579 0.0000000 -0.6039130 0.0000000 -1.6354964 10 O -2.0579842 0.0000000 -0.6134222 0.0000000 -1.1000579 0.0000000 -0.6039130 0.0000000 -1.6354964 11 O -2.0579842 0.0000000 0.6134222 0.0000000 -1.1000579 0.0000000 0.6039130 0.0000000 -1.6354964 12 O -2.0579842 0.0000000 0.6134222 0.0000000 -1.1000579 0.0000000 0.6039130 0.0000000 -1.6354964 13 O -1.6498835 0.4016380 -0.2132224 0.4421823 -2.0544981 0.2367176 -0.2188890 0.2772351 -1.1851976 14 O -1.6498835 -0.4016380 -0.2132224 -0.4421823 -2.0544981 -0.2367176 -0.2188890 -0.2772351 -1.1851976 15 O -1.6498835 0.4016380 0.2132224 0.4421823 -2.0544981 -0.2367176 0.2188890 -0.2772351 -1.1851976 16 O -1.6498835 -0.4016380 0.2132224 -0.4421823 -2.0544981 0.2367176 0.2188890 0.2772351 -1.1851976 17 O -1.6498835 0.4016380 -0.2132224 0.4421823 -2.0544981 0.2367176 -0.2188890 0.2772351 -1.1851976 18 O -1.6498835 -0.4016380 -0.2132224 -0.4421823 -2.0544981 -0.2367176 -0.2188890 -0.2772351 -1.1851976 19 O -1.6498835 0.4016380 0.2132224 0.4421823 -2.0544981 -0.2367176 0.2188890 -0.2772351 -1.1851976 20 O -1.6498835 -0.4016380 0.2132224 -0.4421823 -2.0544981 0.2367176 0.2188890 0.2772351 -1.1851976 21 O -1.3989073 0.0000000 -0.1752052 0.0000000 -1.3412243 0.0000000 -0.2769300 0.0000000 -2.4168813 22 O -1.3989073 0.0000000 -0.1752052 0.0000000 -1.3412243 0.0000000 -0.2769300 0.0000000 -2.4168813 23 O -1.3989073 0.0000000 0.1752052 0.0000000 -1.3412243 0.0000000 0.2769300 0.0000000 -2.4168813 24 O -1.3989073 0.0000000 0.1752052 0.0000000 -1.3412243 0.0000000 0.2769300 0.0000000 -2.4168813 25 Mg 2.1344093 0.0000000 -0.0640719 0.0000000 2.1782815 0.0000000 -0.0941494 0.0000000 2.0477991 26 Mg 2.1344093 0.0000000 -0.0640719 0.0000000 2.1782815 0.0000000 -0.0941494 0.0000000 2.0477991 27 Mg 2.1344093 0.0000000 0.0640719 0.0000000 2.1782815 0.0000000 0.0941494 0.0000000 2.0477991 28 Mg 2.1344093 0.0000000 0.0640719 0.0000000 2.1782815 0.0000000 0.0941494 0.0000000 2.0477991 29 Mg 2.2075581 0.1276990 0.1270184 -0.1155655 2.0700531 -0.1104078 -0.0808201 -0.1644954 2.0615273 30 Mg 2.2075581 -0.1276990 0.1270184 0.1155655 2.0700531 0.1104078 -0.0808201 0.1644954 2.0615273 31 Mg 2.2075581 0.1276990 -0.1270184 -0.1155655 2.0700531 0.1104078 0.0808201 0.1644954 2.0615273 32 Mg 2.2075581 -0.1276990 -0.1270184 0.1155655 2.0700531 -0.1104078 0.0808201 -0.1644954 2.0615273 33 P 3.3346927 0.0000000 0.0494919 0.0000000 3.2905925 0.0000000 0.0047499 0.0000000 3.2661102 34 P 3.3346927 0.0000000 0.0494919 0.0000000 3.2905925 0.0000000 0.0047499 0.0000000 3.2661102 35 P 3.3346927 0.0000000 -0.0494919 0.0000000 3.2905925 0.0000000 -0.0047499 0.0000000 3.2661102 36 P 3.3346927 0.0000000 -0.0494919 0.0000000 3.2905925 0.0000000 -0.0047499 0.0000000 3.2661102 ---------------------------------------------------------------------------- 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: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3132 Number of blocks in projector: 3132 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: 794 Use submatrix version of eigh solver. (1) Block: 500 / 794 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 794 / 794 (1) 278 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 506 Use submatrix version of eigh solver. (1) Block: 506 / 506 (2) Block: 250 / 506 (2) 246 eigenvectors found. (2) Block: 506 / 506 (2) 252 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 506 Use submatrix version of eigh solver. (1) Block: 506 / 506 (2) Block: 250 / 506 (2) 246 eigenvectors found. (2) Block: 506 / 506 (2) 252 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3132, 3084), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (506, 502), data: False |-- (506, 502), data: False |-- (506, 4), data: (506, 8) @ (8, 4) |-- (256, 252), data: True |-- (250, 246), data: True |-- (506, 502), data: False |-- (506, 502), data: False |-- (506, 4), data: (506, 8) @ (8, 4) |-- (256, 252), data: True |-- (250, 246), data: True |-- (794, 778), data: False |-- (794, 16), data: (794, 32) @ (32, 16) |-- (294, 278), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 234), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.012 Solver_block: 200 / 560 - Time: 0.933 Solver_block: 300 / 560 - Time: 0.917 Solver_block: 400 / 560 - Time: 0.925 Solver_block: 500 / 560 - Time: 0.929 Solver_block: 560 / 560 - Time: 0.599 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.439 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3132 Number of blocks in projector: 3132 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: 794 Use submatrix version of eigh solver. (1) Block: 500 / 794 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 794 / 794 (1) 278 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 506 Use submatrix version of eigh solver. (1) Block: 506 / 506 (2) Block: 250 / 506 (2) 246 eigenvectors found. (2) Block: 506 / 506 (2) 252 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 506 Use submatrix version of eigh solver. (1) Block: 506 / 506 (2) Block: 250 / 506 (2) 246 eigenvectors found. (2) Block: 506 / 506 (2) 252 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3132, 3084), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (506, 502), data: False |-- (506, 502), data: False |-- (506, 4), data: (506, 8) @ (8, 4) |-- (256, 252), data: True |-- (250, 246), data: True |-- (506, 502), data: False |-- (506, 502), data: False |-- (506, 4), data: (506, 8) @ (8, 4) |-- (256, 252), data: True |-- (250, 246), data: True |-- (794, 778), data: False |-- (794, 16), data: (794, 32) @ (32, 16) |-- (294, 278), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 234), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:35:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:35:42]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.293656470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.155265829999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.360304809999999 Atomic positions (fractional): 1 H 0.44830940905161 0.25000000000000 0.72921837752901 1.008 2 H 0.55169059094839 0.75000000000000 0.27078162247099 1.008 3 H 0.05169059094839 0.75000000000000 0.22921837752901 1.008 4 H 0.94830940905161 0.25000000000000 0.77078162247099 1.008 5 O 0.54041160429820 0.25000000000000 0.81341163091280 15.999 6 O 0.45958839570180 0.75000000000000 0.18658836908720 15.999 7 O 0.95958839570180 0.75000000000000 0.31341163091280 15.999 8 O 0.04041160429820 0.25000000000000 0.68658836908720 15.999 9 O 0.47817348026776 0.25000000000000 0.44336940031606 15.999 10 O 0.52182651973224 0.75000000000000 0.55663059968394 15.999 11 O 0.02182651973224 0.75000000000000 0.94336940031606 15.999 12 O 0.97817348026776 0.25000000000000 0.05663059968394 15.999 13 O 0.72082241027495 0.45473996545366 0.12464770313104 15.999 14 O 0.27917758972505 0.95473996545366 0.87535229686896 15.999 15 O 0.77917758972505 0.54526003454634 0.62464770313104 15.999 16 O 0.22082241027495 0.04526003454634 0.37535229686896 15.999 17 O 0.27917758972505 0.54526003454634 0.87535229686896 15.999 18 O 0.72082241027495 0.04526003454634 0.12464770313104 15.999 19 O 0.22082241027495 0.45473996545366 0.37535229686896 15.999 20 O 0.77917758972505 0.95473996545366 0.62464770313104 15.999 21 O 0.86579900899153 0.25000000000000 0.37315687215129 15.999 22 O 0.13420099100847 0.75000000000000 0.62684312784871 15.999 23 O 0.63420099100847 0.75000000000000 0.87315687215129 15.999 24 O 0.36579900899153 0.25000000000000 0.12684312784871 15.999 25 Mg 0.67822885065300 0.25000000000000 0.57756959647084 24.305 26 Mg 0.32177114934700 0.75000000000000 0.42243040352916 24.305 27 Mg 0.82177114934700 0.75000000000000 0.07756959647084 24.305 28 Mg 0.17822885065300 0.25000000000000 0.92243040352916 24.305 29 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 30 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 31 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 32 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 33 P 0.32304316044375 0.25000000000000 0.33463111622786 30.974 34 P 0.67695683955625 0.75000000000000 0.66536888377214 30.974 35 P 0.17695683955625 0.75000000000000 0.83463111622786 30.974 36 P 0.82304316044375 0.25000000000000 0.16536888377214 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.293656470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.310531659999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.720609619999998 Atomic positions (fractional): 1 H 0.44830940905161 0.12500000000000 0.36460918876450 1.008 > 1 2 H 0.44830940905161 0.62500000000000 0.36460918876450 1.008 > 1 3 H 0.44830940905161 0.12500000000000 0.86460918876450 1.008 > 1 4 H 0.44830940905161 0.62500000000000 0.86460918876450 1.008 > 1 5 H 0.55169059094839 0.37500000000000 0.13539081123550 1.008 > 5 6 H 0.55169059094839 0.87500000000000 0.13539081123550 1.008 > 5 7 H 0.55169059094839 0.37500000000000 0.63539081123550 1.008 > 5 8 H 0.55169059094839 0.87500000000000 0.63539081123550 1.008 > 5 9 H 0.05169059094839 0.37500000000000 0.11460918876451 1.008 > 9 10 H 0.05169059094839 0.87500000000000 0.11460918876451 1.008 > 9 11 H 0.05169059094839 0.37500000000000 0.61460918876450 1.008 > 9 12 H 0.05169059094839 0.87500000000000 0.61460918876450 1.008 > 9 13 H 0.94830940905161 0.12500000000000 0.38539081123550 1.008 > 13 14 H 0.94830940905161 0.62500000000000 0.38539081123550 1.008 > 13 15 H 0.94830940905161 0.12500000000000 0.88539081123550 1.008 > 13 16 H 0.94830940905161 0.62500000000000 0.88539081123550 1.008 > 13 17 O 0.54041160429820 0.12500000000000 0.40670581545640 15.999 > 17 18 O 0.54041160429820 0.62500000000000 0.40670581545640 15.999 > 17 19 O 0.54041160429820 0.12500000000000 0.90670581545640 15.999 > 17 20 O 0.54041160429820 0.62500000000000 0.90670581545640 15.999 > 17 21 O 0.45958839570180 0.37500000000000 0.09329418454360 15.999 > 21 22 O 0.45958839570180 0.87500000000000 0.09329418454360 15.999 > 21 23 O 0.45958839570180 0.37500000000000 0.59329418454360 15.999 > 21 24 O 0.45958839570180 0.87500000000000 0.59329418454360 15.999 > 21 25 O 0.95958839570180 0.37500000000000 0.15670581545640 15.999 > 25 26 O 0.95958839570180 0.87500000000000 0.15670581545640 15.999 > 25 27 O 0.95958839570180 0.37500000000000 0.65670581545640 15.999 > 25 28 O 0.95958839570180 0.87500000000000 0.65670581545640 15.999 > 25 29 O 0.04041160429820 0.12500000000000 0.34329418454360 15.999 > 29 30 O 0.04041160429820 0.62500000000000 0.34329418454360 15.999 > 29 31 O 0.04041160429820 0.12500000000000 0.84329418454360 15.999 > 29 32 O 0.04041160429820 0.62500000000000 0.84329418454360 15.999 > 29 33 O 0.47817348026776 0.12500000000000 0.22168470015803 15.999 > 33 34 O 0.47817348026776 0.62500000000000 0.22168470015803 15.999 > 33 35 O 0.47817348026776 0.12500000000000 0.72168470015803 15.999 > 33 36 O 0.47817348026776 0.62500000000000 0.72168470015803 15.999 > 33 37 O 0.52182651973224 0.37500000000000 0.27831529984197 15.999 > 37 38 O 0.52182651973224 0.87500000000000 0.27831529984197 15.999 > 37 39 O 0.52182651973224 0.37500000000000 0.77831529984197 15.999 > 37 40 O 0.52182651973224 0.87500000000000 0.77831529984197 15.999 > 37 41 O 0.02182651973224 0.37500000000000 0.47168470015803 15.999 > 41 42 O 0.02182651973224 0.87500000000000 0.47168470015803 15.999 > 41 43 O 0.02182651973224 0.37500000000000 0.97168470015803 15.999 > 41 44 O 0.02182651973224 0.87500000000000 0.97168470015803 15.999 > 41 45 O 0.97817348026776 0.12500000000000 0.02831529984197 15.999 > 45 46 O 0.97817348026776 0.62500000000000 0.02831529984197 15.999 > 45 47 O 0.97817348026776 0.12500000000000 0.52831529984197 15.999 > 45 48 O 0.97817348026776 0.62500000000000 0.52831529984197 15.999 > 45 49 O 0.72082241027495 0.22736998272683 0.06232385156552 15.999 > 49 50 O 0.72082241027495 0.72736998272683 0.06232385156552 15.999 > 49 51 O 0.72082241027495 0.22736998272683 0.56232385156552 15.999 > 49 52 O 0.72082241027495 0.72736998272683 0.56232385156552 15.999 > 49 53 O 0.27917758972505 0.47736998272683 0.43767614843448 15.999 > 53 54 O 0.27917758972505 0.97736998272683 0.43767614843448 15.999 > 53 55 O 0.27917758972505 0.47736998272683 0.93767614843448 15.999 > 53 56 O 0.27917758972505 0.97736998272683 0.93767614843448 15.999 > 53 57 O 0.77917758972505 0.27263001727317 0.31232385156552 15.999 > 57 58 O 0.77917758972505 0.77263001727317 0.31232385156552 15.999 > 57 59 O 0.77917758972505 0.27263001727317 0.81232385156552 15.999 > 57 60 O 0.77917758972505 0.77263001727317 0.81232385156552 15.999 > 57 61 O 0.22082241027495 0.02263001727317 0.18767614843448 15.999 > 61 62 O 0.22082241027495 0.52263001727317 0.18767614843448 15.999 > 61 63 O 0.22082241027495 0.02263001727317 0.68767614843448 15.999 > 61 64 O 0.22082241027495 0.52263001727317 0.68767614843448 15.999 > 61 65 O 0.27917758972505 0.27263001727317 0.43767614843448 15.999 > 65 66 O 0.27917758972505 0.77263001727317 0.43767614843448 15.999 > 65 67 O 0.27917758972505 0.27263001727317 0.93767614843448 15.999 > 65 68 O 0.27917758972505 0.77263001727317 0.93767614843448 15.999 > 65 69 O 0.72082241027495 0.02263001727317 0.06232385156552 15.999 > 69 70 O 0.72082241027495 0.52263001727317 0.06232385156552 15.999 > 69 71 O 0.72082241027495 0.02263001727317 0.56232385156552 15.999 > 69 72 O 0.72082241027495 0.52263001727317 0.56232385156552 15.999 > 69 73 O 0.22082241027495 0.22736998272683 0.18767614843448 15.999 > 73 74 O 0.22082241027495 0.72736998272683 0.18767614843448 15.999 > 73 75 O 0.22082241027495 0.22736998272683 0.68767614843448 15.999 > 73 76 O 0.22082241027495 0.72736998272683 0.68767614843448 15.999 > 73 77 O 0.77917758972505 0.47736998272683 0.31232385156552 15.999 > 77 78 O 0.77917758972505 0.97736998272683 0.31232385156552 15.999 > 77 79 O 0.77917758972505 0.47736998272683 0.81232385156552 15.999 > 77 80 O 0.77917758972505 0.97736998272683 0.81232385156552 15.999 > 77 81 O 0.86579900899153 0.12500000000000 0.18657843607565 15.999 > 81 82 O 0.86579900899153 0.62500000000000 0.18657843607565 15.999 > 81 83 O 0.86579900899153 0.12500000000000 0.68657843607565 15.999 > 81 84 O 0.86579900899153 0.62500000000000 0.68657843607565 15.999 > 81 85 O 0.13420099100847 0.37500000000000 0.31342156392435 15.999 > 85 86 O 0.13420099100847 0.87500000000000 0.31342156392435 15.999 > 85 87 O 0.13420099100847 0.37500000000000 0.81342156392435 15.999 > 85 88 O 0.13420099100847 0.87500000000000 0.81342156392435 15.999 > 85 89 O 0.63420099100847 0.37500000000000 0.43657843607565 15.999 > 89 90 O 0.63420099100847 0.87500000000000 0.43657843607565 15.999 > 89 91 O 0.63420099100847 0.37500000000000 0.93657843607565 15.999 > 89 92 O 0.63420099100847 0.87500000000000 0.93657843607565 15.999 > 89 93 O 0.36579900899153 0.12500000000000 0.06342156392435 15.999 > 93 94 O 0.36579900899153 0.62500000000000 0.06342156392435 15.999 > 93 95 O 0.36579900899153 0.12500000000000 0.56342156392435 15.999 > 93 96 O 0.36579900899153 0.62500000000000 0.56342156392435 15.999 > 93 97 Mg 0.67822885065300 0.12500000000000 0.28878479823542 24.305 > 97 98 Mg 0.67822885065300 0.62500000000000 0.28878479823542 24.305 > 97 99 Mg 0.67822885065300 0.12500000000000 0.78878479823542 24.305 > 97 100 Mg 0.67822885065300 0.62500000000000 0.78878479823542 24.305 > 97 101 Mg 0.32177114934700 0.37500000000000 0.21121520176458 24.305 > 101 102 Mg 0.32177114934700 0.87500000000000 0.21121520176458 24.305 > 101 103 Mg 0.32177114934700 0.37500000000000 0.71121520176458 24.305 > 101 104 Mg 0.32177114934700 0.87500000000000 0.71121520176458 24.305 > 101 105 Mg 0.82177114934700 0.37500000000000 0.03878479823542 24.305 > 105 106 Mg 0.82177114934700 0.87500000000000 0.03878479823542 24.305 > 105 107 Mg 0.82177114934700 0.37500000000000 0.53878479823542 24.305 > 105 108 Mg 0.82177114934700 0.87500000000000 0.53878479823542 24.305 > 105 109 Mg 0.17822885065300 0.12500000000000 0.46121520176458 24.305 > 109 110 Mg 0.17822885065300 0.62500000000000 0.46121520176458 24.305 > 109 111 Mg 0.17822885065300 0.12500000000000 0.96121520176458 24.305 > 109 112 Mg 0.17822885065300 0.62500000000000 0.96121520176458 24.305 > 109 113 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 113 114 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 113 115 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 113 116 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 113 117 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 117 118 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 117 119 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 117 120 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 117 121 Mg 0.00000000000000 0.25000000000000 0.25000000000000 24.305 > 121 122 Mg 0.00000000000000 0.75000000000000 0.25000000000000 24.305 > 121 123 Mg 0.00000000000000 0.25000000000000 0.75000000000000 24.305 > 121 124 Mg 0.00000000000000 0.75000000000000 0.75000000000000 24.305 > 121 125 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 125 126 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 125 127 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 125 128 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 125 129 P 0.32304316044375 0.12500000000000 0.16731555811393 30.974 > 129 130 P 0.32304316044375 0.62500000000000 0.16731555811393 30.974 > 129 131 P 0.32304316044375 0.12500000000000 0.66731555811393 30.974 > 129 132 P 0.32304316044375 0.62500000000000 0.66731555811393 30.974 > 129 133 P 0.67695683955625 0.37500000000000 0.33268444188607 30.974 > 133 134 P 0.67695683955625 0.87500000000000 0.33268444188607 30.974 > 133 135 P 0.67695683955625 0.37500000000000 0.83268444188607 30.974 > 133 136 P 0.67695683955625 0.87500000000000 0.83268444188607 30.974 > 133 137 P 0.17695683955625 0.37500000000000 0.41731555811393 30.974 > 137 138 P 0.17695683955625 0.87500000000000 0.41731555811393 30.974 > 137 139 P 0.17695683955625 0.37500000000000 0.91731555811393 30.974 > 137 140 P 0.17695683955625 0.87500000000000 0.91731555811393 30.974 > 137 141 P 0.82304316044375 0.12500000000000 0.08268444188607 30.974 > 141 142 P 0.82304316044375 0.62500000000000 0.08268444188607 30.974 > 141 143 P 0.82304316044375 0.12500000000000 0.58268444188607 30.974 > 141 144 P 0.82304316044375 0.62500000000000 0.58268444188607 30.974 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6583256 0.0000000 0.0000000 0.0000000 2.6548912 0.0000000 0.0000000 0.0000000 2.6493863 -------------------------- Born effective charges -------------------------- 1 H 0.2638931 0.0000000 -0.0556343 0.0000000 0.4222962 0.0000000 -0.0466473 0.0000000 0.6237660 2 H 0.2638931 0.0000000 -0.0556343 0.0000000 0.4222962 0.0000000 -0.0466473 0.0000000 0.6237660 3 H 0.2638931 0.0000000 0.0556343 0.0000000 0.4222962 0.0000000 0.0466473 0.0000000 0.6237660 4 H 0.2638931 0.0000000 0.0556343 0.0000000 0.4222962 0.0000000 0.0466473 0.0000000 0.6237660 5 O -1.1838947 0.0000000 0.1598784 0.0000000 -1.4109448 0.0000000 0.1952534 0.0000000 -1.5764297 6 O -1.1838947 0.0000000 0.1598784 0.0000000 -1.4109448 0.0000000 0.1952534 0.0000000 -1.5764297 7 O -1.1838947 0.0000000 -0.1598784 0.0000000 -1.4109448 0.0000000 -0.1952534 0.0000000 -1.5764297 8 O -1.1838947 0.0000000 -0.1598784 0.0000000 -1.4109448 0.0000000 -0.1952534 0.0000000 -1.5764297 9 O -2.0579842 0.0000000 -0.6134222 0.0000000 -1.1000579 0.0000000 -0.6039130 0.0000000 -1.6354964 10 O -2.0579842 0.0000000 -0.6134222 0.0000000 -1.1000579 0.0000000 -0.6039130 0.0000000 -1.6354964 11 O -2.0579842 0.0000000 0.6134222 0.0000000 -1.1000579 0.0000000 0.6039130 0.0000000 -1.6354964 12 O -2.0579842 0.0000000 0.6134222 0.0000000 -1.1000579 0.0000000 0.6039130 0.0000000 -1.6354964 13 O -1.6498835 0.4016380 -0.2132224 0.4421823 -2.0544981 0.2367176 -0.2188890 0.2772351 -1.1851976 14 O -1.6498835 -0.4016380 -0.2132224 -0.4421823 -2.0544981 -0.2367176 -0.2188890 -0.2772351 -1.1851976 15 O -1.6498835 0.4016380 0.2132224 0.4421823 -2.0544981 -0.2367176 0.2188890 -0.2772351 -1.1851976 16 O -1.6498835 -0.4016380 0.2132224 -0.4421823 -2.0544981 0.2367176 0.2188890 0.2772351 -1.1851976 17 O -1.6498835 0.4016380 -0.2132224 0.4421823 -2.0544981 0.2367176 -0.2188890 0.2772351 -1.1851976 18 O -1.6498835 -0.4016380 -0.2132224 -0.4421823 -2.0544981 -0.2367176 -0.2188890 -0.2772351 -1.1851976 19 O -1.6498835 0.4016380 0.2132224 0.4421823 -2.0544981 -0.2367176 0.2188890 -0.2772351 -1.1851976 20 O -1.6498835 -0.4016380 0.2132224 -0.4421823 -2.0544981 0.2367176 0.2188890 0.2772351 -1.1851976 21 O -1.3989073 0.0000000 -0.1752052 0.0000000 -1.3412243 0.0000000 -0.2769300 0.0000000 -2.4168813 22 O -1.3989073 0.0000000 -0.1752052 0.0000000 -1.3412243 0.0000000 -0.2769300 0.0000000 -2.4168813 23 O -1.3989073 0.0000000 0.1752052 0.0000000 -1.3412243 0.0000000 0.2769300 0.0000000 -2.4168813 24 O -1.3989073 0.0000000 0.1752052 0.0000000 -1.3412243 0.0000000 0.2769300 0.0000000 -2.4168813 25 Mg 2.1344093 0.0000000 -0.0640719 0.0000000 2.1782815 0.0000000 -0.0941494 0.0000000 2.0477991 26 Mg 2.1344093 0.0000000 -0.0640719 0.0000000 2.1782815 0.0000000 -0.0941494 0.0000000 2.0477991 27 Mg 2.1344093 0.0000000 0.0640719 0.0000000 2.1782815 0.0000000 0.0941494 0.0000000 2.0477991 28 Mg 2.1344093 0.0000000 0.0640719 0.0000000 2.1782815 0.0000000 0.0941494 0.0000000 2.0477991 29 Mg 2.2075581 0.1276990 0.1270184 -0.1155655 2.0700531 -0.1104078 -0.0808201 -0.1644954 2.0615273 30 Mg 2.2075581 -0.1276990 0.1270184 0.1155655 2.0700531 0.1104078 -0.0808201 0.1644954 2.0615273 31 Mg 2.2075581 0.1276990 -0.1270184 -0.1155655 2.0700531 0.1104078 0.0808201 0.1644954 2.0615273 32 Mg 2.2075581 -0.1276990 -0.1270184 0.1155655 2.0700531 -0.1104078 0.0808201 -0.1644954 2.0615273 33 P 3.3346927 0.0000000 0.0494919 0.0000000 3.2905925 0.0000000 0.0047499 0.0000000 3.2661102 34 P 3.3346927 0.0000000 0.0494919 0.0000000 3.2905925 0.0000000 0.0047499 0.0000000 3.2661102 35 P 3.3346927 0.0000000 -0.0494919 0.0000000 3.2905925 0.0000000 -0.0047499 0.0000000 3.2661102 36 P 3.3346927 0.0000000 -0.0494919 0.0000000 3.2905925 0.0000000 -0.0047499 0.0000000 3.2661102 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, 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: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (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 05:36:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:36:28]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.293656470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.155265829999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.360304809999999 Atomic positions (fractional): 1 H 0.44830940905161 0.25000000000000 0.72921837752901 1.008 2 H 0.55169059094839 0.75000000000000 0.27078162247099 1.008 3 H 0.05169059094839 0.75000000000000 0.22921837752901 1.008 4 H 0.94830940905161 0.25000000000000 0.77078162247099 1.008 5 O 0.54041160429820 0.25000000000000 0.81341163091280 15.999 6 O 0.45958839570180 0.75000000000000 0.18658836908720 15.999 7 O 0.95958839570180 0.75000000000000 0.31341163091280 15.999 8 O 0.04041160429820 0.25000000000000 0.68658836908720 15.999 9 O 0.47817348026776 0.25000000000000 0.44336940031606 15.999 10 O 0.52182651973224 0.75000000000000 0.55663059968394 15.999 11 O 0.02182651973224 0.75000000000000 0.94336940031606 15.999 12 O 0.97817348026776 0.25000000000000 0.05663059968394 15.999 13 O 0.72082241027495 0.45473996545366 0.12464770313104 15.999 14 O 0.27917758972505 0.95473996545366 0.87535229686896 15.999 15 O 0.77917758972505 0.54526003454634 0.62464770313104 15.999 16 O 0.22082241027495 0.04526003454634 0.37535229686896 15.999 17 O 0.27917758972505 0.54526003454634 0.87535229686896 15.999 18 O 0.72082241027495 0.04526003454634 0.12464770313104 15.999 19 O 0.22082241027495 0.45473996545366 0.37535229686896 15.999 20 O 0.77917758972505 0.95473996545366 0.62464770313104 15.999 21 O 0.86579900899153 0.25000000000000 0.37315687215129 15.999 22 O 0.13420099100847 0.75000000000000 0.62684312784871 15.999 23 O 0.63420099100847 0.75000000000000 0.87315687215129 15.999 24 O 0.36579900899153 0.25000000000000 0.12684312784871 15.999 25 Mg 0.67822885065300 0.25000000000000 0.57756959647084 24.305 26 Mg 0.32177114934700 0.75000000000000 0.42243040352916 24.305 27 Mg 0.82177114934700 0.75000000000000 0.07756959647084 24.305 28 Mg 0.17822885065300 0.25000000000000 0.92243040352916 24.305 29 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 30 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 31 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 32 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 33 P 0.32304316044375 0.25000000000000 0.33463111622786 30.974 34 P 0.67695683955625 0.75000000000000 0.66536888377214 30.974 35 P 0.17695683955625 0.75000000000000 0.83463111622786 30.974 36 P 0.82304316044375 0.25000000000000 0.16536888377214 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.293656470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.310531659999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.720609619999998 Atomic positions (fractional): 1 H 0.44830940905161 0.12500000000000 0.36460918876450 1.008 > 1 2 H 0.44830940905161 0.62500000000000 0.36460918876450 1.008 > 1 3 H 0.44830940905161 0.12500000000000 0.86460918876450 1.008 > 1 4 H 0.44830940905161 0.62500000000000 0.86460918876450 1.008 > 1 5 H 0.55169059094839 0.37500000000000 0.13539081123550 1.008 > 5 6 H 0.55169059094839 0.87500000000000 0.13539081123550 1.008 > 5 7 H 0.55169059094839 0.37500000000000 0.63539081123550 1.008 > 5 8 H 0.55169059094839 0.87500000000000 0.63539081123550 1.008 > 5 9 H 0.05169059094839 0.37500000000000 0.11460918876451 1.008 > 9 10 H 0.05169059094839 0.87500000000000 0.11460918876451 1.008 > 9 11 H 0.05169059094839 0.37500000000000 0.61460918876450 1.008 > 9 12 H 0.05169059094839 0.87500000000000 0.61460918876450 1.008 > 9 13 H 0.94830940905161 0.12500000000000 0.38539081123550 1.008 > 13 14 H 0.94830940905161 0.62500000000000 0.38539081123550 1.008 > 13 15 H 0.94830940905161 0.12500000000000 0.88539081123550 1.008 > 13 16 H 0.94830940905161 0.62500000000000 0.88539081123550 1.008 > 13 17 O 0.54041160429820 0.12500000000000 0.40670581545640 15.999 > 17 18 O 0.54041160429820 0.62500000000000 0.40670581545640 15.999 > 17 19 O 0.54041160429820 0.12500000000000 0.90670581545640 15.999 > 17 20 O 0.54041160429820 0.62500000000000 0.90670581545640 15.999 > 17 21 O 0.45958839570180 0.37500000000000 0.09329418454360 15.999 > 21 22 O 0.45958839570180 0.87500000000000 0.09329418454360 15.999 > 21 23 O 0.45958839570180 0.37500000000000 0.59329418454360 15.999 > 21 24 O 0.45958839570180 0.87500000000000 0.59329418454360 15.999 > 21 25 O 0.95958839570180 0.37500000000000 0.15670581545640 15.999 > 25 26 O 0.95958839570180 0.87500000000000 0.15670581545640 15.999 > 25 27 O 0.95958839570180 0.37500000000000 0.65670581545640 15.999 > 25 28 O 0.95958839570180 0.87500000000000 0.65670581545640 15.999 > 25 29 O 0.04041160429820 0.12500000000000 0.34329418454360 15.999 > 29 30 O 0.04041160429820 0.62500000000000 0.34329418454360 15.999 > 29 31 O 0.04041160429820 0.12500000000000 0.84329418454360 15.999 > 29 32 O 0.04041160429820 0.62500000000000 0.84329418454360 15.999 > 29 33 O 0.47817348026776 0.12500000000000 0.22168470015803 15.999 > 33 34 O 0.47817348026776 0.62500000000000 0.22168470015803 15.999 > 33 35 O 0.47817348026776 0.12500000000000 0.72168470015803 15.999 > 33 36 O 0.47817348026776 0.62500000000000 0.72168470015803 15.999 > 33 37 O 0.52182651973224 0.37500000000000 0.27831529984197 15.999 > 37 38 O 0.52182651973224 0.87500000000000 0.27831529984197 15.999 > 37 39 O 0.52182651973224 0.37500000000000 0.77831529984197 15.999 > 37 40 O 0.52182651973224 0.87500000000000 0.77831529984197 15.999 > 37 41 O 0.02182651973224 0.37500000000000 0.47168470015803 15.999 > 41 42 O 0.02182651973224 0.87500000000000 0.47168470015803 15.999 > 41 43 O 0.02182651973224 0.37500000000000 0.97168470015803 15.999 > 41 44 O 0.02182651973224 0.87500000000000 0.97168470015803 15.999 > 41 45 O 0.97817348026776 0.12500000000000 0.02831529984197 15.999 > 45 46 O 0.97817348026776 0.62500000000000 0.02831529984197 15.999 > 45 47 O 0.97817348026776 0.12500000000000 0.52831529984197 15.999 > 45 48 O 0.97817348026776 0.62500000000000 0.52831529984197 15.999 > 45 49 O 0.72082241027495 0.22736998272683 0.06232385156552 15.999 > 49 50 O 0.72082241027495 0.72736998272683 0.06232385156552 15.999 > 49 51 O 0.72082241027495 0.22736998272683 0.56232385156552 15.999 > 49 52 O 0.72082241027495 0.72736998272683 0.56232385156552 15.999 > 49 53 O 0.27917758972505 0.47736998272683 0.43767614843448 15.999 > 53 54 O 0.27917758972505 0.97736998272683 0.43767614843448 15.999 > 53 55 O 0.27917758972505 0.47736998272683 0.93767614843448 15.999 > 53 56 O 0.27917758972505 0.97736998272683 0.93767614843448 15.999 > 53 57 O 0.77917758972505 0.27263001727317 0.31232385156552 15.999 > 57 58 O 0.77917758972505 0.77263001727317 0.31232385156552 15.999 > 57 59 O 0.77917758972505 0.27263001727317 0.81232385156552 15.999 > 57 60 O 0.77917758972505 0.77263001727317 0.81232385156552 15.999 > 57 61 O 0.22082241027495 0.02263001727317 0.18767614843448 15.999 > 61 62 O 0.22082241027495 0.52263001727317 0.18767614843448 15.999 > 61 63 O 0.22082241027495 0.02263001727317 0.68767614843448 15.999 > 61 64 O 0.22082241027495 0.52263001727317 0.68767614843448 15.999 > 61 65 O 0.27917758972505 0.27263001727317 0.43767614843448 15.999 > 65 66 O 0.27917758972505 0.77263001727317 0.43767614843448 15.999 > 65 67 O 0.27917758972505 0.27263001727317 0.93767614843448 15.999 > 65 68 O 0.27917758972505 0.77263001727317 0.93767614843448 15.999 > 65 69 O 0.72082241027495 0.02263001727317 0.06232385156552 15.999 > 69 70 O 0.72082241027495 0.52263001727317 0.06232385156552 15.999 > 69 71 O 0.72082241027495 0.02263001727317 0.56232385156552 15.999 > 69 72 O 0.72082241027495 0.52263001727317 0.56232385156552 15.999 > 69 73 O 0.22082241027495 0.22736998272683 0.18767614843448 15.999 > 73 74 O 0.22082241027495 0.72736998272683 0.18767614843448 15.999 > 73 75 O 0.22082241027495 0.22736998272683 0.68767614843448 15.999 > 73 76 O 0.22082241027495 0.72736998272683 0.68767614843448 15.999 > 73 77 O 0.77917758972505 0.47736998272683 0.31232385156552 15.999 > 77 78 O 0.77917758972505 0.97736998272683 0.31232385156552 15.999 > 77 79 O 0.77917758972505 0.47736998272683 0.81232385156552 15.999 > 77 80 O 0.77917758972505 0.97736998272683 0.81232385156552 15.999 > 77 81 O 0.86579900899153 0.12500000000000 0.18657843607565 15.999 > 81 82 O 0.86579900899153 0.62500000000000 0.18657843607565 15.999 > 81 83 O 0.86579900899153 0.12500000000000 0.68657843607565 15.999 > 81 84 O 0.86579900899153 0.62500000000000 0.68657843607565 15.999 > 81 85 O 0.13420099100847 0.37500000000000 0.31342156392435 15.999 > 85 86 O 0.13420099100847 0.87500000000000 0.31342156392435 15.999 > 85 87 O 0.13420099100847 0.37500000000000 0.81342156392435 15.999 > 85 88 O 0.13420099100847 0.87500000000000 0.81342156392435 15.999 > 85 89 O 0.63420099100847 0.37500000000000 0.43657843607565 15.999 > 89 90 O 0.63420099100847 0.87500000000000 0.43657843607565 15.999 > 89 91 O 0.63420099100847 0.37500000000000 0.93657843607565 15.999 > 89 92 O 0.63420099100847 0.87500000000000 0.93657843607565 15.999 > 89 93 O 0.36579900899153 0.12500000000000 0.06342156392435 15.999 > 93 94 O 0.36579900899153 0.62500000000000 0.06342156392435 15.999 > 93 95 O 0.36579900899153 0.12500000000000 0.56342156392435 15.999 > 93 96 O 0.36579900899153 0.62500000000000 0.56342156392435 15.999 > 93 97 Mg 0.67822885065300 0.12500000000000 0.28878479823542 24.305 > 97 98 Mg 0.67822885065300 0.62500000000000 0.28878479823542 24.305 > 97 99 Mg 0.67822885065300 0.12500000000000 0.78878479823542 24.305 > 97 100 Mg 0.67822885065300 0.62500000000000 0.78878479823542 24.305 > 97 101 Mg 0.32177114934700 0.37500000000000 0.21121520176458 24.305 > 101 102 Mg 0.32177114934700 0.87500000000000 0.21121520176458 24.305 > 101 103 Mg 0.32177114934700 0.37500000000000 0.71121520176458 24.305 > 101 104 Mg 0.32177114934700 0.87500000000000 0.71121520176458 24.305 > 101 105 Mg 0.82177114934700 0.37500000000000 0.03878479823542 24.305 > 105 106 Mg 0.82177114934700 0.87500000000000 0.03878479823542 24.305 > 105 107 Mg 0.82177114934700 0.37500000000000 0.53878479823542 24.305 > 105 108 Mg 0.82177114934700 0.87500000000000 0.53878479823542 24.305 > 105 109 Mg 0.17822885065300 0.12500000000000 0.46121520176458 24.305 > 109 110 Mg 0.17822885065300 0.62500000000000 0.46121520176458 24.305 > 109 111 Mg 0.17822885065300 0.12500000000000 0.96121520176458 24.305 > 109 112 Mg 0.17822885065300 0.62500000000000 0.96121520176458 24.305 > 109 113 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 113 114 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 113 115 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 113 116 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 113 117 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 117 118 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 117 119 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 117 120 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 117 121 Mg 0.00000000000000 0.25000000000000 0.25000000000000 24.305 > 121 122 Mg 0.00000000000000 0.75000000000000 0.25000000000000 24.305 > 121 123 Mg 0.00000000000000 0.25000000000000 0.75000000000000 24.305 > 121 124 Mg 0.00000000000000 0.75000000000000 0.75000000000000 24.305 > 121 125 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 125 126 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 125 127 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 125 128 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 125 129 P 0.32304316044375 0.12500000000000 0.16731555811393 30.974 > 129 130 P 0.32304316044375 0.62500000000000 0.16731555811393 30.974 > 129 131 P 0.32304316044375 0.12500000000000 0.66731555811393 30.974 > 129 132 P 0.32304316044375 0.62500000000000 0.66731555811393 30.974 > 129 133 P 0.67695683955625 0.37500000000000 0.33268444188607 30.974 > 133 134 P 0.67695683955625 0.87500000000000 0.33268444188607 30.974 > 133 135 P 0.67695683955625 0.37500000000000 0.83268444188607 30.974 > 133 136 P 0.67695683955625 0.87500000000000 0.83268444188607 30.974 > 133 137 P 0.17695683955625 0.37500000000000 0.41731555811393 30.974 > 137 138 P 0.17695683955625 0.87500000000000 0.41731555811393 30.974 > 137 139 P 0.17695683955625 0.37500000000000 0.91731555811393 30.974 > 137 140 P 0.17695683955625 0.87500000000000 0.91731555811393 30.974 > 137 141 P 0.82304316044375 0.12500000000000 0.08268444188607 30.974 > 141 142 P 0.82304316044375 0.62500000000000 0.08268444188607 30.974 > 141 143 P 0.82304316044375 0.12500000000000 0.58268444188607 30.974 > 141 144 P 0.82304316044375 0.62500000000000 0.58268444188607 30.974 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6583256 0.0000000 0.0000000 0.0000000 2.6548912 0.0000000 0.0000000 0.0000000 2.6493863 -------------------------- Born effective charges -------------------------- 1 H 0.2638931 0.0000000 -0.0556343 0.0000000 0.4222962 0.0000000 -0.0466473 0.0000000 0.6237660 2 H 0.2638931 0.0000000 -0.0556343 0.0000000 0.4222962 0.0000000 -0.0466473 0.0000000 0.6237660 3 H 0.2638931 0.0000000 0.0556343 0.0000000 0.4222962 0.0000000 0.0466473 0.0000000 0.6237660 4 H 0.2638931 0.0000000 0.0556343 0.0000000 0.4222962 0.0000000 0.0466473 0.0000000 0.6237660 5 O -1.1838947 0.0000000 0.1598784 0.0000000 -1.4109448 0.0000000 0.1952534 0.0000000 -1.5764297 6 O -1.1838947 0.0000000 0.1598784 0.0000000 -1.4109448 0.0000000 0.1952534 0.0000000 -1.5764297 7 O -1.1838947 0.0000000 -0.1598784 0.0000000 -1.4109448 0.0000000 -0.1952534 0.0000000 -1.5764297 8 O -1.1838947 0.0000000 -0.1598784 0.0000000 -1.4109448 0.0000000 -0.1952534 0.0000000 -1.5764297 9 O -2.0579842 0.0000000 -0.6134222 0.0000000 -1.1000579 0.0000000 -0.6039130 0.0000000 -1.6354964 10 O -2.0579842 0.0000000 -0.6134222 0.0000000 -1.1000579 0.0000000 -0.6039130 0.0000000 -1.6354964 11 O -2.0579842 0.0000000 0.6134222 0.0000000 -1.1000579 0.0000000 0.6039130 0.0000000 -1.6354964 12 O -2.0579842 0.0000000 0.6134222 0.0000000 -1.1000579 0.0000000 0.6039130 0.0000000 -1.6354964 13 O -1.6498835 0.4016380 -0.2132224 0.4421823 -2.0544981 0.2367176 -0.2188890 0.2772351 -1.1851976 14 O -1.6498835 -0.4016380 -0.2132224 -0.4421823 -2.0544981 -0.2367176 -0.2188890 -0.2772351 -1.1851976 15 O -1.6498835 0.4016380 0.2132224 0.4421823 -2.0544981 -0.2367176 0.2188890 -0.2772351 -1.1851976 16 O -1.6498835 -0.4016380 0.2132224 -0.4421823 -2.0544981 0.2367176 0.2188890 0.2772351 -1.1851976 17 O -1.6498835 0.4016380 -0.2132224 0.4421823 -2.0544981 0.2367176 -0.2188890 0.2772351 -1.1851976 18 O -1.6498835 -0.4016380 -0.2132224 -0.4421823 -2.0544981 -0.2367176 -0.2188890 -0.2772351 -1.1851976 19 O -1.6498835 0.4016380 0.2132224 0.4421823 -2.0544981 -0.2367176 0.2188890 -0.2772351 -1.1851976 20 O -1.6498835 -0.4016380 0.2132224 -0.4421823 -2.0544981 0.2367176 0.2188890 0.2772351 -1.1851976 21 O -1.3989073 0.0000000 -0.1752052 0.0000000 -1.3412243 0.0000000 -0.2769300 0.0000000 -2.4168813 22 O -1.3989073 0.0000000 -0.1752052 0.0000000 -1.3412243 0.0000000 -0.2769300 0.0000000 -2.4168813 23 O -1.3989073 0.0000000 0.1752052 0.0000000 -1.3412243 0.0000000 0.2769300 0.0000000 -2.4168813 24 O -1.3989073 0.0000000 0.1752052 0.0000000 -1.3412243 0.0000000 0.2769300 0.0000000 -2.4168813 25 Mg 2.1344093 0.0000000 -0.0640719 0.0000000 2.1782815 0.0000000 -0.0941494 0.0000000 2.0477991 26 Mg 2.1344093 0.0000000 -0.0640719 0.0000000 2.1782815 0.0000000 -0.0941494 0.0000000 2.0477991 27 Mg 2.1344093 0.0000000 0.0640719 0.0000000 2.1782815 0.0000000 0.0941494 0.0000000 2.0477991 28 Mg 2.1344093 0.0000000 0.0640719 0.0000000 2.1782815 0.0000000 0.0941494 0.0000000 2.0477991 29 Mg 2.2075581 0.1276990 0.1270184 -0.1155655 2.0700531 -0.1104078 -0.0808201 -0.1644954 2.0615273 30 Mg 2.2075581 -0.1276990 0.1270184 0.1155655 2.0700531 0.1104078 -0.0808201 0.1644954 2.0615273 31 Mg 2.2075581 0.1276990 -0.1270184 -0.1155655 2.0700531 0.1104078 0.0808201 0.1644954 2.0615273 32 Mg 2.2075581 -0.1276990 -0.1270184 0.1155655 2.0700531 -0.1104078 0.0808201 -0.1644954 2.0615273 33 P 3.3346927 0.0000000 0.0494919 0.0000000 3.2905925 0.0000000 0.0047499 0.0000000 3.2661102 34 P 3.3346927 0.0000000 0.0494919 0.0000000 3.2905925 0.0000000 0.0047499 0.0000000 3.2661102 35 P 3.3346927 0.0000000 -0.0494919 0.0000000 3.2905925 0.0000000 -0.0047499 0.0000000 3.2661102 36 P 3.3346927 0.0000000 -0.0494919 0.0000000 3.2905925 0.0000000 -0.0047499 0.0000000 3.2661102 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 8 7 ] 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: 0.58, Number of G-points: 311, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 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 1.955 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 4.101 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 4.735 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 4.901 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 5.088 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 6.280 ( 0.000 0.000 0.000) 0.000 6.516 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.826 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 7.040 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.628 ( 0.000 0.000 0.000) 0.000 7.789 ( 0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 8.069 ( 0.000 0.000 0.000) 0.000 8.482 ( 0.000 0.000 0.000) 0.000 8.577 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.144 ( 0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 0.000) 0.000 9.545 ( 0.000 0.000 0.000) 0.000 9.611 ( 0.000 0.000 0.000) 0.000 9.779 ( 0.000 0.000 0.000) 0.000 9.943 ( 0.000 0.000 0.000) 0.000 10.099 ( 0.000 0.000 0.000) 0.000 10.260 ( 0.000 0.000 0.000) 0.000 10.475 ( 0.000 0.000 0.000) 0.000 10.648 ( 0.000 0.000 0.000) 0.000 10.780 ( 0.000 0.000 0.000) 0.000 10.964 ( 0.000 0.000 0.000) 0.000 11.383 ( 0.000 0.000 0.000) 0.000 11.565 ( 0.000 0.000 0.000) 0.000 11.632 ( 0.000 0.000 0.000) 0.000 11.829 ( 0.000 0.000 0.000) 0.000 11.926 ( 0.000 0.000 0.000) 0.000 12.057 ( 0.000 0.000 0.000) 0.000 12.213 ( 0.000 0.000 0.000) 0.000 12.274 ( 0.000 0.000 0.000) 0.000 12.770 ( 0.000 0.000 0.000) 0.000 12.849 ( 0.000 0.000 0.000) 0.000 12.902 ( 0.000 0.000 0.000) 0.000 12.962 ( 0.000 0.000 0.000) 0.000 13.026 ( 0.000 0.000 0.000) 0.000 13.161 ( 0.000 0.000 0.000) 0.000 13.807 ( 0.000 0.000 0.000) 0.000 14.093 ( 0.000 0.000 0.000) 0.000 14.359 ( 0.000 0.000 0.000) 0.000 14.402 ( 0.000 0.000 0.000) 0.000 14.527 ( 0.000 0.000 0.000) 0.000 14.573 ( 0.000 0.000 0.000) 0.000 14.957 ( 0.000 0.000 0.000) 0.000 16.195 ( 0.000 0.000 0.000) 0.000 16.597 ( 0.000 0.000 0.000) 0.000 16.621 ( 0.000 0.000 0.000) 0.000 16.793 ( 0.000 0.000 0.000) 0.000 17.223 ( 0.000 0.000 0.000) 0.000 17.346 ( 0.000 0.000 0.000) 0.000 17.349 ( 0.000 0.000 0.000) 0.000 17.620 ( 0.000 0.000 0.000) 0.000 17.767 ( 0.000 0.000 0.000) 0.000 17.961 ( 0.000 0.000 0.000) 0.000 18.288 ( 0.000 0.000 0.000) 0.000 19.318 ( 0.000 0.000 0.000) 0.000 19.488 ( 0.000 0.000 0.000) 0.000 19.508 ( 0.000 0.000 0.000) 0.000 19.520 ( 0.000 0.000 0.000) 0.000 19.622 ( 0.000 0.000 0.000) 0.000 26.997 ( 0.000 0.000 0.000) 0.000 27.030 ( 0.000 0.000 0.000) 0.000 27.334 ( 0.000 0.000 0.000) 0.000 27.462 ( 0.000 0.000 0.000) 0.000 28.266 ( 0.000 0.000 0.000) 0.000 28.386 ( 0.000 0.000 0.000) 0.000 28.697 ( 0.000 0.000 0.000) 0.000 28.971 ( 0.000 0.000 0.000) 0.000 29.472 ( 0.000 0.000 0.000) 0.000 29.528 ( 0.000 0.000 0.000) 0.000 30.626 ( 0.000 0.000 0.000) 0.000 30.701 ( 0.000 0.000 0.000) 0.000 30.795 ( 0.000 0.000 0.000) 0.000 30.845 ( 0.000 0.000 0.000) 0.000 31.022 ( 0.000 0.000 0.000) 0.000 32.004 ( 0.000 0.000 0.000) 0.000 33.850 ( 0.000 0.000 0.000) 0.000 34.380 ( 0.000 0.000 0.000) 0.000 34.903 ( 0.000 0.000 0.000) 0.000 35.034 ( 0.000 0.000 0.000) 0.000 107.456 ( 0.000 0.000 0.000) 0.000 107.461 ( 0.000 0.000 0.000) 0.000 107.478 ( 0.000 0.000 0.000) 0.000 107.489 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 42.160 0.000 0.000) 42.160 0.915 ( 44.887 0.000 0.000) 44.887 1.629 ( 78.895 0.000 0.000) 78.895 2.114 ( 14.460 0.000 0.000) 14.460 3.469 ( -11.438 0.000 0.000) 11.438 3.550 ( 10.980 0.000 0.000) 10.980 3.926 ( -18.781 0.000 0.000) 18.781 4.097 ( -20.095 0.000 0.000) 20.095 4.193 ( 3.876 0.000 0.000) 3.876 4.213 ( 8.452 0.000 0.000) 8.452 4.300 ( -9.428 0.000 0.000) 9.428 4.469 ( -13.698 0.000 0.000) 13.698 4.576 ( 7.401 0.000 0.000) 7.401 4.828 ( -5.178 0.000 0.000) 5.178 4.975 ( 4.078 0.000 0.000) 4.078 5.045 ( 9.548 0.000 0.000) 9.548 5.217 ( -11.351 0.000 0.000) 11.351 5.356 ( 14.337 0.000 0.000) 14.337 5.472 ( 4.027 0.000 0.000) 4.027 5.882 ( 4.180 0.000 0.000) 4.180 6.318 ( 2.245 0.000 0.000) 2.245 6.394 ( -12.663 0.000 0.000) 12.663 6.609 ( -4.126 0.000 0.000) 4.126 6.741 ( -18.541 0.000 0.000) 18.541 6.845 ( 2.497 0.000 0.000) 2.497 7.118 ( 17.532 0.000 0.000) 17.532 7.551 ( 15.632 0.000 0.000) 15.632 7.562 ( -5.817 0.000 0.000) 5.817 7.840 ( 4.936 0.000 0.000) 4.936 7.961 ( 5.853 0.000 0.000) 5.853 8.046 ( -2.118 0.000 0.000) 2.118 8.456 ( -2.784 0.000 0.000) 2.784 8.468 ( -7.906 0.000 0.000) 7.906 8.624 ( -0.522 0.000 0.000) 0.522 9.066 ( -12.537 0.000 0.000) 12.537 9.069 ( -4.934 0.000 0.000) 4.934 9.089 ( -1.614 0.000 0.000) 1.614 9.349 ( -18.043 0.000 0.000) 18.043 9.593 ( -11.894 0.000 0.000) 11.894 9.711 ( 7.695 0.000 0.000) 7.695 9.958 ( 1.213 0.000 0.000) 1.213 10.003 ( -8.807 0.000 0.000) 8.807 10.307 ( 3.013 0.000 0.000) 3.013 10.351 ( -7.247 0.000 0.000) 7.247 10.816 ( 17.718 0.000 0.000) 17.718 11.051 ( 14.389 0.000 0.000) 14.389 11.080 ( 2.686 0.000 0.000) 2.686 11.389 ( 0.596 0.000 0.000) 0.596 11.581 ( -3.954 0.000 0.000) 3.954 11.882 ( -1.869 0.000 0.000) 1.869 11.885 ( 4.397 0.000 0.000) 4.397 12.063 ( 0.664 0.000 0.000) 0.664 12.180 ( -2.882 0.000 0.000) 2.882 12.260 ( -1.576 0.000 0.000) 1.576 12.795 ( 2.562 0.000 0.000) 2.562 12.837 ( -1.047 0.000 0.000) 1.047 12.871 ( -2.455 0.000 0.000) 2.455 12.982 ( 1.713 0.000 0.000) 1.713 13.043 ( 1.142 0.000 0.000) 1.142 13.152 ( -1.051 0.000 0.000) 1.051 13.766 ( -2.763 0.000 0.000) 2.763 13.808 ( -8.915 0.000 0.000) 8.915 14.124 ( 1.418 0.000 0.000) 1.418 14.357 ( 0.490 0.000 0.000) 0.490 14.363 ( -4.332 0.000 0.000) 4.332 14.677 ( 5.958 0.000 0.000) 5.958 14.760 ( 0.219 0.000 0.000) 0.219 14.955 ( 0.019 0.000 0.000) 0.019 16.235 ( 3.741 0.000 0.000) 3.741 16.562 ( -1.702 0.000 0.000) 1.702 16.695 ( 5.098 0.000 0.000) 5.098 16.846 ( 5.230 0.000 0.000) 5.230 17.158 ( -6.218 0.000 0.000) 6.218 17.355 ( 0.835 0.000 0.000) 0.835 17.356 ( 0.544 0.000 0.000) 0.544 17.565 ( -5.236 0.000 0.000) 5.236 18.053 ( 7.303 0.000 0.000) 7.303 18.271 ( -1.427 0.000 0.000) 1.427 19.038 ( 1.428 0.000 0.000) 1.428 19.321 ( 0.278 0.000 0.000) 0.278 19.458 ( -2.493 0.000 0.000) 2.493 19.476 ( -3.260 0.000 0.000) 3.260 19.538 ( 1.698 0.000 0.000) 1.698 19.636 ( 0.947 0.000 0.000) 0.947 27.030 ( 2.460 0.000 0.000) 2.460 27.066 ( 4.165 0.000 0.000) 4.165 27.308 ( -2.592 0.000 0.000) 2.592 27.455 ( -0.908 0.000 0.000) 0.908 28.279 ( 1.090 0.000 0.000) 1.090 28.366 ( -1.625 0.000 0.000) 1.625 28.736 ( 3.446 0.000 0.000) 3.446 29.083 ( -3.435 0.000 0.000) 3.435 29.479 ( 0.635 0.000 0.000) 0.635 29.524 ( -0.355 0.000 0.000) 0.355 30.631 ( 0.458 0.000 0.000) 0.458 30.696 ( -0.522 0.000 0.000) 0.522 30.855 ( 0.987 0.000 0.000) 0.987 31.009 ( -1.331 0.000 0.000) 1.331 31.016 ( 4.715 0.000 0.000) 4.715 31.906 ( -9.250 0.000 0.000) 9.250 34.416 ( 3.495 0.000 0.000) 3.495 34.847 ( -4.116 0.000 0.000) 4.116 35.141 ( 8.794 0.000 0.000) 8.794 35.970 ( -5.386 0.000 0.000) 5.386 107.462 ( 0.078 0.000 0.000) 0.078 107.476 ( -0.151 0.000 0.000) 0.151 107.489 ( 0.059 0.000 0.000) 0.059 107.495 ( -0.034 0.000 0.000) 0.034 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 42.188 0.000 0.000) 42.188 1.788 ( 41.336 0.000 0.000) 41.336 2.449 ( 16.079 0.000 0.000) 16.079 2.982 ( 31.960 0.000 0.000) 31.960 3.220 ( -12.498 0.000 0.000) 12.498 3.430 ( -28.453 0.000 0.000) 28.453 3.642 ( 0.250 0.000 0.000) 0.250 3.807 ( 12.820 0.000 0.000) 12.820 4.216 ( 1.446 0.000 0.000) 1.446 4.303 ( -3.980 0.000 0.000) 3.980 4.311 ( 7.804 0.000 0.000) 7.804 4.355 ( 3.977 0.000 0.000) 3.977 4.689 ( -8.383 0.000 0.000) 8.383 4.701 ( 4.433 0.000 0.000) 4.433 4.949 ( -13.105 0.000 0.000) 13.105 5.083 ( 5.836 0.000 0.000) 5.836 5.183 ( 3.541 0.000 0.000) 3.541 5.535 ( -3.360 0.000 0.000) 3.360 5.589 ( 8.338 0.000 0.000) 8.338 5.882 ( -31.514 0.000 0.000) 31.514 5.985 ( 6.073 0.000 0.000) 6.073 6.394 ( -15.313 0.000 0.000) 15.313 6.432 ( 5.852 0.000 0.000) 5.852 6.575 ( -0.597 0.000 0.000) 0.597 6.944 ( 7.278 0.000 0.000) 7.278 7.310 ( -5.673 0.000 0.000) 5.673 7.561 ( 12.647 0.000 0.000) 12.647 7.816 ( 11.277 0.000 0.000) 11.277 7.945 ( 0.478 0.000 0.000) 0.478 8.021 ( 4.028 0.000 0.000) 4.028 8.146 ( 11.676 0.000 0.000) 11.676 8.272 ( -11.170 0.000 0.000) 11.170 8.362 ( -6.819 0.000 0.000) 6.819 8.553 ( -6.433 0.000 0.000) 6.433 8.805 ( -10.871 0.000 0.000) 10.871 8.950 ( -18.241 0.000 0.000) 18.241 9.011 ( -0.670 0.000 0.000) 0.670 9.052 ( -1.811 0.000 0.000) 1.811 9.453 ( -0.909 0.000 0.000) 0.909 9.780 ( -12.421 0.000 0.000) 12.421 9.857 ( 6.192 0.000 0.000) 6.192 9.975 ( 0.084 0.000 0.000) 0.084 10.277 ( -0.738 0.000 0.000) 0.738 10.333 ( -0.727 0.000 0.000) 0.727 11.157 ( 4.511 0.000 0.000) 4.511 11.173 ( 13.993 0.000 0.000) 13.993 11.259 ( 8.452 0.000 0.000) 8.452 11.408 ( 1.302 0.000 0.000) 1.302 11.503 ( -3.544 0.000 0.000) 3.544 11.776 ( -9.018 0.000 0.000) 9.018 11.974 ( 4.121 0.000 0.000) 4.121 12.088 ( 1.977 0.000 0.000) 1.977 12.113 ( -3.483 0.000 0.000) 3.483 12.211 ( -3.086 0.000 0.000) 3.086 12.815 ( -0.979 0.000 0.000) 0.979 12.825 ( -1.824 0.000 0.000) 1.824 12.878 ( 5.633 0.000 0.000) 5.633 13.020 ( 1.871 0.000 0.000) 1.871 13.058 ( 0.240 0.000 0.000) 0.240 13.108 ( -3.684 0.000 0.000) 3.684 13.700 ( -1.160 0.000 0.000) 1.160 13.738 ( 0.042 0.000 0.000) 0.042 14.109 ( -2.068 0.000 0.000) 2.068 14.247 ( -7.048 0.000 0.000) 7.048 14.404 ( 3.967 0.000 0.000) 3.967 14.610 ( -5.809 0.000 0.000) 5.809 14.893 ( 6.196 0.000 0.000) 6.196 14.963 ( 0.677 0.000 0.000) 0.677 16.332 ( 5.591 0.000 0.000) 5.591 16.521 ( -2.799 0.000 0.000) 2.799 16.805 ( 5.592 0.000 0.000) 5.592 16.993 ( 9.051 0.000 0.000) 9.051 17.029 ( -6.107 0.000 0.000) 6.107 17.351 ( -2.768 0.000 0.000) 2.768 17.375 ( 1.031 0.000 0.000) 1.031 17.434 ( -5.909 0.000 0.000) 5.909 18.182 ( 4.547 0.000 0.000) 4.547 18.245 ( -0.955 0.000 0.000) 0.955 19.101 ( 5.118 0.000 0.000) 5.118 19.332 ( 0.862 0.000 0.000) 0.862 19.378 ( -6.286 0.000 0.000) 6.286 19.404 ( -2.642 0.000 0.000) 2.642 19.581 ( 2.402 0.000 0.000) 2.402 19.645 ( -0.226 0.000 0.000) 0.226 27.086 ( 3.292 0.000 0.000) 3.292 27.186 ( 7.038 0.000 0.000) 7.038 27.241 ( -3.851 0.000 0.000) 3.851 27.416 ( -3.193 0.000 0.000) 3.193 28.302 ( 1.045 0.000 0.000) 1.045 28.335 ( -1.190 0.000 0.000) 1.190 28.816 ( 4.272 0.000 0.000) 4.272 28.997 ( -4.727 0.000 0.000) 4.727 29.493 ( 0.694 0.000 0.000) 0.694 29.515 ( -0.470 0.000 0.000) 0.470 30.644 ( 0.815 0.000 0.000) 0.815 30.682 ( -0.879 0.000 0.000) 0.879 30.884 ( 1.832 0.000 0.000) 1.832 30.972 ( -2.177 0.000 0.000) 2.177 31.158 ( 9.414 0.000 0.000) 9.414 31.665 ( -13.775 0.000 0.000) 13.775 34.512 ( 5.735 0.000 0.000) 5.735 34.752 ( -5.327 0.000 0.000) 5.327 35.353 ( 11.807 0.000 0.000) 11.807 35.817 ( -9.634 0.000 0.000) 9.634 107.464 ( 0.154 0.000 0.000) 0.154 107.472 ( -0.222 0.000 0.000) 0.222 107.491 ( 0.084 0.000 0.000) 0.084 107.494 ( -0.065 0.000 0.000) 0.065 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -22.655 0.000 0.000) 22.655 2.499 ( 22.655 0.000 0.000) 22.655 2.530 ( -39.974 0.000 0.000) 39.974 2.530 ( 39.974 0.000 0.000) 39.974 3.030 ( -0.333 0.000 0.000) 0.333 3.030 ( 0.333 0.000 0.000) 0.333 4.006 ( -4.461 0.000 0.000) 4.461 4.006 ( 4.461 0.000 0.000) 4.461 4.321 ( -6.541 0.000 0.000) 6.541 4.321 ( 6.541 0.000 0.000) 6.541 4.490 ( -8.475 0.000 0.000) 8.475 4.490 ( 8.475 0.000 0.000) 8.475 4.771 ( -4.228 0.000 0.000) 4.228 4.771 ( 4.228 0.000 0.000) 4.228 4.795 ( -52.340 0.000 0.000) 52.340 4.795 ( 52.340 0.000 0.000) 52.340 5.183 ( -3.216 0.000 0.000) 3.216 5.183 ( 3.216 0.000 0.000) 3.216 5.684 ( -1.489 0.000 0.000) 1.489 5.684 ( 1.489 0.000 0.000) 1.489 6.140 ( -9.902 0.000 0.000) 9.902 6.140 ( 9.902 0.000 0.000) 9.902 6.536 ( -3.799 0.000 0.000) 3.799 6.536 ( 3.799 0.000 0.000) 3.799 7.123 ( -10.030 0.000 0.000) 10.030 7.123 ( 10.030 0.000 0.000) 10.030 7.826 ( -10.493 0.000 0.000) 10.493 7.826 ( 10.493 0.000 0.000) 10.493 8.040 ( -11.449 0.000 0.000) 11.449 8.040 ( 11.449 0.000 0.000) 11.449 8.189 ( -9.581 0.000 0.000) 9.581 8.189 ( 9.581 0.000 0.000) 9.581 8.378 ( -10.605 0.000 0.000) 10.605 8.378 ( 10.605 0.000 0.000) 10.605 8.717 ( -3.502 0.000 0.000) 3.502 8.717 ( 3.502 0.000 0.000) 3.502 9.021 ( -1.201 0.000 0.000) 1.201 9.021 ( 1.201 0.000 0.000) 1.201 9.548 ( -9.354 0.000 0.000) 9.354 9.548 ( 9.354 0.000 0.000) 9.354 9.949 ( -2.855 0.000 0.000) 2.855 9.949 ( 2.855 0.000 0.000) 2.855 10.296 ( -2.109 0.000 0.000) 2.109 10.296 ( 2.109 0.000 0.000) 2.109 11.235 ( -2.410 0.000 0.000) 2.410 11.235 ( 2.410 0.000 0.000) 2.410 11.444 ( -2.321 0.000 0.000) 2.321 11.444 ( 2.321 0.000 0.000) 2.321 11.535 ( -14.336 0.000 0.000) 14.336 11.535 ( 14.336 0.000 0.000) 14.336 12.046 ( -3.238 0.000 0.000) 3.238 12.046 ( 3.238 0.000 0.000) 3.238 12.144 ( -3.381 0.000 0.000) 3.381 12.144 ( 3.381 0.000 0.000) 3.381 12.805 ( -0.159 0.000 0.000) 0.159 12.805 ( 0.159 0.000 0.000) 0.159 13.004 ( -6.258 0.000 0.000) 6.258 13.004 ( 6.258 0.000 0.000) 6.258 13.050 ( -1.007 0.000 0.000) 1.007 13.050 ( 1.007 0.000 0.000) 1.007 13.727 ( -1.970 0.000 0.000) 1.970 13.727 ( 1.970 0.000 0.000) 1.970 14.118 ( -4.209 0.000 0.000) 4.209 14.118 ( 4.209 0.000 0.000) 4.209 14.498 ( -5.199 0.000 0.000) 5.199 14.498 ( 5.199 0.000 0.000) 5.199 14.964 ( -1.169 0.000 0.000) 1.169 14.964 ( 1.169 0.000 0.000) 1.169 16.442 ( -4.961 0.000 0.000) 4.961 16.442 ( 4.961 0.000 0.000) 4.961 16.915 ( -5.391 0.000 0.000) 5.391 16.915 ( 5.391 0.000 0.000) 5.391 17.192 ( -10.203 0.000 0.000) 10.203 17.192 ( 10.203 0.000 0.000) 10.203 17.392 ( -0.669 0.000 0.000) 0.669 17.392 ( 0.669 0.000 0.000) 0.669 18.231 ( -0.863 0.000 0.000) 0.863 18.231 ( 0.863 0.000 0.000) 0.863 19.234 ( -7.557 0.000 0.000) 7.557 19.234 ( 7.557 0.000 0.000) 7.557 19.358 ( -1.821 0.000 0.000) 1.821 19.358 ( 1.821 0.000 0.000) 1.821 19.625 ( -1.732 0.000 0.000) 1.732 19.625 ( 1.732 0.000 0.000) 1.732 27.161 ( -3.981 0.000 0.000) 3.981 27.161 ( 3.981 0.000 0.000) 3.981 27.323 ( -6.007 0.000 0.000) 6.007 27.323 ( 6.007 0.000 0.000) 6.007 28.318 ( -0.666 0.000 0.000) 0.666 28.318 ( 0.666 0.000 0.000) 0.666 28.904 ( -4.456 0.000 0.000) 4.456 28.904 ( 4.456 0.000 0.000) 4.456 29.506 ( -0.529 0.000 0.000) 0.529 29.506 ( 0.529 0.000 0.000) 0.529 30.662 ( -0.978 0.000 0.000) 0.978 30.662 ( 0.978 0.000 0.000) 0.978 30.926 ( -2.313 0.000 0.000) 2.313 30.926 ( 2.313 0.000 0.000) 2.313 31.388 ( -13.140 0.000 0.000) 13.140 31.388 ( 13.140 0.000 0.000) 13.140 34.635 ( -6.202 0.000 0.000) 6.202 34.635 ( 6.202 0.000 0.000) 6.202 35.596 ( -11.943 0.000 0.000) 11.943 35.596 ( 11.943 0.000 0.000) 11.943 107.468 ( -0.213 0.000 0.000) 0.213 107.468 ( 0.213 0.000 0.000) 0.213 107.492 ( -0.084 0.000 0.000) 0.084 107.492 ( 0.084 0.000 0.000) 0.084 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.000 43.289 0.000) 43.289 0.896 ( 0.000 44.228 0.000) 44.228 1.631 ( 0.000 75.445 0.000) 75.445 2.081 ( 0.000 11.517 0.000) 11.517 3.362 ( 0.000 -3.726 0.000) 3.726 3.941 ( 0.000 -10.224 0.000) 10.224 4.111 ( 0.000 7.285 0.000) 7.285 4.226 ( 0.000 8.394 0.000) 8.394 4.232 ( 0.000 1.077 0.000) 1.077 4.299 ( 0.000 -0.098 0.000) 0.098 4.578 ( 0.000 18.473 0.000) 18.473 4.673 ( 0.000 1.930 0.000) 1.930 4.710 ( 0.000 -1.950 0.000) 1.950 4.809 ( 0.000 -3.143 0.000) 3.143 4.993 ( 0.000 17.416 0.000) 17.416 5.052 ( 0.000 -0.519 0.000) 0.519 5.094 ( 0.000 8.906 0.000) 8.906 5.601 ( 0.000 17.218 0.000) 17.218 5.604 ( 0.000 24.545 0.000) 24.545 6.029 ( 0.000 15.147 0.000) 15.147 6.316 ( 0.000 4.035 0.000) 4.035 6.467 ( 0.000 -5.102 0.000) 5.102 6.477 ( 0.000 -2.046 0.000) 2.046 6.648 ( 0.000 -13.649 0.000) 13.649 6.839 ( 0.000 0.803 0.000) 0.803 7.077 ( 0.000 1.888 0.000) 1.888 7.420 ( 0.000 10.167 0.000) 10.167 7.477 ( 0.000 -8.866 0.000) 8.866 7.819 ( 0.000 4.520 0.000) 4.520 8.040 ( 0.000 13.326 0.000) 13.326 8.148 ( 0.000 7.453 0.000) 7.453 8.421 ( 0.000 -6.052 0.000) 6.052 8.592 ( 0.000 1.117 0.000) 1.117 8.739 ( 0.000 2.012 0.000) 2.012 9.140 ( 0.000 3.463 0.000) 3.463 9.248 ( 0.000 6.834 0.000) 6.834 9.469 ( 0.000 -13.683 0.000) 13.683 9.491 ( 0.000 -5.584 0.000) 5.584 9.556 ( 0.000 12.158 0.000) 12.158 9.590 ( 0.000 -14.550 0.000) 14.550 10.012 ( 0.000 3.700 0.000) 3.700 10.077 ( 0.000 -1.871 0.000) 1.871 10.264 ( 0.000 0.083 0.000) 0.083 10.505 ( 0.000 0.954 0.000) 0.954 10.582 ( 0.000 -4.377 0.000) 4.377 10.697 ( 0.000 -6.275 0.000) 6.275 10.955 ( 0.000 -2.443 0.000) 2.443 11.441 ( 0.000 -11.224 0.000) 11.224 11.447 ( 0.000 1.537 0.000) 1.537 11.531 ( 0.000 -17.823 0.000) 17.823 11.824 ( 0.000 -6.737 0.000) 6.737 12.063 ( 0.000 3.391 0.000) 3.391 12.084 ( 0.000 -12.754 0.000) 12.754 12.356 ( 0.000 8.746 0.000) 8.746 12.751 ( 0.000 -5.893 0.000) 5.893 12.772 ( 0.000 -0.613 0.000) 0.613 12.909 ( 0.000 -4.591 0.000) 4.591 12.957 ( 0.000 5.190 0.000) 5.190 13.015 ( 0.000 1.544 0.000) 1.544 13.263 ( 0.000 7.173 0.000) 7.173 13.342 ( 0.000 -9.654 0.000) 9.654 13.827 ( 0.000 1.985 0.000) 1.985 14.080 ( 0.000 -1.634 0.000) 1.634 14.291 ( 0.000 -6.484 0.000) 6.484 14.353 ( 0.000 -6.548 0.000) 6.548 14.507 ( 0.000 -4.457 0.000) 4.457 14.521 ( 0.000 -0.572 0.000) 0.572 14.881 ( 0.000 -7.498 0.000) 7.498 16.246 ( 0.000 4.707 0.000) 4.707 16.599 ( 0.000 0.315 0.000) 0.315 16.625 ( 0.000 0.464 0.000) 0.464 16.844 ( 0.000 4.264 0.000) 4.264 17.225 ( 0.000 0.860 0.000) 0.860 17.359 ( 0.000 1.436 0.000) 1.436 17.614 ( 0.000 -0.609 0.000) 0.609 17.811 ( 0.000 3.966 0.000) 3.966 17.973 ( 0.000 1.065 0.000) 1.065 18.280 ( 0.000 -2.367 0.000) 2.367 18.319 ( 0.000 2.444 0.000) 2.444 19.237 ( 0.000 -13.778 0.000) 13.778 19.376 ( 0.000 5.671 0.000) 5.671 19.582 ( 0.000 9.071 0.000) 9.071 19.759 ( 0.000 10.469 0.000) 10.469 21.390 ( 0.000 -5.192 0.000) 5.192 26.994 ( 0.000 -0.160 0.000) 0.160 27.038 ( 0.000 0.734 0.000) 0.734 27.349 ( 0.000 1.375 0.000) 1.375 27.468 ( 0.000 0.495 0.000) 0.495 28.296 ( 0.000 2.941 0.000) 2.941 28.369 ( 0.000 -1.375 0.000) 1.375 28.668 ( 0.000 -2.713 0.000) 2.713 28.976 ( 0.000 0.397 0.000) 0.397 29.475 ( 0.000 0.236 0.000) 0.236 29.542 ( 0.000 1.506 0.000) 1.506 30.428 ( 0.000 -21.568 0.000) 21.568 30.723 ( 0.000 -11.096 0.000) 11.096 30.741 ( 0.000 10.635 0.000) 10.635 31.408 ( 0.000 23.445 0.000) 23.445 32.023 ( 0.000 1.097 0.000) 1.097 33.103 ( 0.000 -1.685 0.000) 1.685 33.851 ( 0.000 0.145 0.000) 0.145 34.340 ( 0.000 -3.800 0.000) 3.800 34.887 ( 0.000 -1.392 0.000) 1.392 35.017 ( 0.000 -1.618 0.000) 1.618 107.455 ( 0.000 -0.083 0.000) 0.083 107.460 ( 0.000 -0.119 0.000) 0.119 107.478 ( 0.000 0.046 0.000) 0.046 107.488 ( 0.000 -0.025 0.000) 0.025 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 28.648 30.710 0.000) 41.998 1.512 ( 36.819 34.489 0.000) 50.450 2.121 ( 49.368 47.593 0.000) 68.573 2.230 ( 13.664 10.731 0.000) 17.374 3.450 ( 7.232 -4.423 0.000) 8.477 3.737 ( -18.488 19.662 0.000) 26.989 4.004 ( 6.419 -7.995 0.000) 10.253 4.095 ( -17.570 0.537 0.000) 17.578 4.278 ( -4.585 14.527 0.000) 15.234 4.300 ( -16.264 4.907 0.000) 16.988 4.316 ( 1.098 2.661 0.000) 2.879 4.523 ( -9.007 5.624 0.000) 10.619 4.761 ( -3.295 -0.979 0.000) 3.438 4.774 ( 6.651 6.823 0.000) 9.528 5.088 ( 2.006 3.902 0.000) 4.387 5.139 ( 9.434 14.383 0.000) 17.201 5.263 ( 11.137 -1.860 0.000) 11.291 5.511 ( -8.489 26.465 0.000) 27.793 5.616 ( 1.178 15.172 0.000) 15.217 6.111 ( 6.176 17.679 0.000) 18.726 6.317 ( -3.906 -2.964 0.000) 4.903 6.390 ( -6.153 5.390 0.000) 8.180 6.514 ( 1.165 -7.284 0.000) 7.377 6.618 ( -3.486 -11.894 0.000) 12.395 6.960 ( -6.597 10.318 0.000) 12.247 7.061 ( 18.161 -3.717 0.000) 18.537 7.413 ( -6.174 -8.126 0.000) 10.205 7.556 ( 9.077 0.533 0.000) 9.093 7.859 ( 2.425 1.747 0.000) 2.989 8.038 ( 2.464 7.742 0.000) 8.124 8.186 ( 3.003 13.529 0.000) 13.858 8.392 ( -3.119 -6.215 0.000) 6.954 8.527 ( -6.316 2.515 0.000) 6.798 8.650 ( -6.699 0.528 0.000) 6.720 9.129 ( -2.063 3.409 0.000) 3.985 9.145 ( -6.680 8.285 0.000) 10.643 9.278 ( -13.397 10.357 0.000) 16.934 9.293 ( -15.781 -4.888 0.000) 16.521 9.482 ( -8.692 -9.863 0.000) 13.147 9.658 ( 7.401 -2.459 0.000) 7.799 9.857 ( -12.012 -9.604 0.000) 15.380 9.992 ( -0.983 2.598 0.000) 2.778 10.317 ( 3.374 0.631 0.000) 3.432 10.348 ( -8.028 -1.378 0.000) 8.146 10.680 ( 12.654 -9.270 0.000) 15.686 10.988 ( 13.985 -4.785 0.000) 14.781 11.039 ( 3.853 -3.213 0.000) 5.017 11.405 ( -6.187 -13.953 0.000) 15.263 11.477 ( 2.901 1.903 0.000) 3.470 11.680 ( 11.078 -16.506 0.000) 19.879 11.864 ( 1.750 -5.914 0.000) 6.167 12.053 ( -1.471 0.587 0.000) 1.584 12.064 ( -1.817 -12.287 0.000) 12.420 12.335 ( -2.093 8.888 0.000) 9.131 12.760 ( 0.808 -4.820 0.000) 4.888 12.829 ( 3.499 1.704 0.000) 3.892 12.860 ( -0.159 2.136 0.000) 2.142 12.909 ( 0.111 -5.289 0.000) 5.290 13.037 ( -1.964 0.737 0.000) 2.098 13.246 ( -1.839 6.381 0.000) 6.641 13.666 ( 13.111 -14.105 0.000) 19.257 13.798 ( -1.775 2.953 0.000) 3.446 14.106 ( 1.328 -1.975 0.000) 2.380 14.300 ( 1.203 -5.665 0.000) 5.791 14.322 ( -2.655 -4.495 0.000) 5.220 14.441 ( 2.353 -10.710 0.000) 10.965 14.616 ( 2.268 -5.290 0.000) 5.756 14.872 ( -0.766 -8.165 0.000) 8.201 16.278 ( 3.048 4.451 0.000) 5.395 16.563 ( -1.766 0.331 0.000) 1.796 16.694 ( 4.601 -0.087 0.000) 4.601 16.885 ( 3.448 2.094 0.000) 4.034 17.178 ( -3.412 3.304 0.000) 4.749 17.367 ( 0.827 1.609 0.000) 1.809 17.574 ( -3.898 0.821 0.000) 3.983 17.636 ( -9.107 13.518 0.000) 16.300 18.065 ( 7.067 1.051 0.000) 7.145 18.301 ( -1.582 2.273 0.000) 2.769 18.482 ( 12.630 -16.716 0.000) 20.951 19.205 ( -3.203 -14.264 0.000) 14.620 19.389 ( 1.217 5.855 0.000) 5.980 19.575 ( -0.812 8.948 0.000) 8.985 19.770 ( 1.242 11.190 0.000) 11.259 20.657 ( -40.866 34.897 0.000) 53.738 27.034 ( 3.150 0.304 0.000) 3.164 27.069 ( 3.550 0.342 0.000) 3.566 27.324 ( -2.422 1.524 0.000) 2.861 27.457 ( -1.133 0.258 0.000) 1.162 28.295 ( 0.319 2.264 0.000) 2.286 28.350 ( -1.518 -1.241 0.000) 1.961 28.708 ( 3.530 -2.644 0.000) 4.411 29.000 ( -0.017 -3.226 0.000) 3.226 29.468 ( -0.094 -0.213 0.000) 0.233 29.536 ( -0.598 1.308 0.000) 1.438 30.495 ( 5.387 -21.087 0.000) 21.764 30.717 ( -0.309 -7.279 0.000) 7.285 30.760 ( 1.673 6.817 0.000) 7.019 31.380 ( -5.985 26.835 0.000) 27.494 31.644 ( -39.933 40.758 0.000) 57.060 31.942 ( -7.623 2.511 0.000) 8.026 34.380 ( 3.856 -3.398 0.000) 5.139 34.836 ( -3.972 -0.963 0.000) 4.087 35.106 ( 7.422 -3.205 0.000) 8.084 35.235 ( 37.401 -44.145 0.000) 57.859 107.460 ( 0.101 -0.130 0.000) 0.165 107.475 ( 0.949 -1.006 0.000) 1.383 107.477 ( -0.158 0.040 0.000) 0.163 107.489 ( 0.025 -0.056 0.000) 0.062 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 36.749 18.308 0.000) 41.057 2.183 ( 31.510 30.531 0.000) 43.875 2.552 ( 15.964 9.755 0.000) 18.708 3.107 ( 18.554 11.372 0.000) 21.762 3.422 ( -15.827 18.330 0.000) 24.218 3.502 ( -8.611 4.629 0.000) 9.776 3.736 ( 6.809 9.078 0.000) 11.348 3.967 ( -5.964 12.339 0.000) 13.705 4.204 ( 12.500 -1.577 0.000) 12.599 4.272 ( 0.282 1.038 0.000) 1.076 4.309 ( -1.034 -1.906 0.000) 2.168 4.441 ( 1.512 10.609 0.000) 10.716 4.664 ( -6.886 -0.632 0.000) 6.914 4.923 ( 7.686 11.750 0.000) 14.041 5.164 ( 5.201 5.827 0.000) 7.810 5.271 ( 2.740 10.180 0.000) 10.542 5.278 ( -10.311 25.573 0.000) 27.574 5.483 ( 7.578 -1.128 0.000) 7.661 5.622 ( -2.280 10.795 0.000) 11.033 5.911 ( -32.301 5.517 0.000) 32.769 6.225 ( 4.814 17.905 0.000) 18.541 6.380 ( -0.910 1.369 0.000) 1.644 6.520 ( -3.411 -0.396 0.000) 3.434 6.530 ( 0.586 -5.186 0.000) 5.219 6.925 ( 3.248 5.459 0.000) 6.352 7.246 ( -9.466 -4.259 0.000) 10.380 7.428 ( 16.339 -7.409 0.000) 17.941 7.687 ( 3.015 -5.195 0.000) 6.007 7.935 ( 6.993 -4.956 0.000) 8.571 8.134 ( 4.808 2.548 0.000) 5.441 8.281 ( 6.697 17.573 0.000) 18.806 8.284 ( -7.616 -5.803 0.000) 9.575 8.373 ( -7.909 3.688 0.000) 8.727 8.506 ( -7.138 -3.007 0.000) 7.745 8.893 ( -15.174 -4.529 0.000) 15.835 8.948 ( -12.533 11.699 0.000) 17.145 9.122 ( -1.668 8.063 0.000) 8.234 9.144 ( -2.041 6.459 0.000) 6.774 9.368 ( -0.922 -6.620 0.000) 6.684 9.622 ( -10.711 -10.949 0.000) 15.316 9.814 ( 6.636 -4.217 0.000) 7.862 9.970 ( -1.514 -0.361 0.000) 1.557 10.278 ( -0.039 -0.626 0.000) 0.627 10.348 ( -0.601 0.980 0.000) 1.150 10.927 ( 10.985 -15.554 0.000) 19.042 11.115 ( 3.846 -3.945 0.000) 5.509 11.171 ( 4.272 -5.044 0.000) 6.609 11.271 ( -6.915 -15.847 0.000) 17.290 11.559 ( 5.028 1.195 0.000) 5.168 11.764 ( -2.821 -10.435 0.000) 10.810 11.954 ( 6.521 -7.049 0.000) 9.603 12.024 ( -1.822 -11.027 0.000) 11.177 12.028 ( 0.897 3.028 0.000) 3.158 12.268 ( -4.650 8.553 0.000) 9.735 12.782 ( 1.392 -1.740 0.000) 2.228 12.852 ( 0.004 3.451 0.000) 3.451 12.921 ( 1.184 -6.404 0.000) 6.513 12.943 ( 5.055 3.598 0.000) 6.205 12.984 ( -2.145 -3.751 0.000) 4.321 13.180 ( -4.788 4.574 0.000) 6.622 13.763 ( 1.534 2.190 0.000) 2.674 13.790 ( 0.965 4.410 0.000) 4.515 14.104 ( -0.976 -0.732 0.000) 1.220 14.233 ( -5.901 -1.333 0.000) 6.050 14.350 ( 3.565 -5.446 0.000) 6.509 14.492 ( -1.283 -12.564 0.000) 12.629 14.690 ( 6.440 -13.526 0.000) 14.981 14.852 ( -1.380 -10.787 0.000) 10.875 16.359 ( 4.652 3.326 0.000) 5.719 16.523 ( -2.605 0.632 0.000) 2.680 16.790 ( 4.670 -1.353 0.000) 4.862 16.928 ( -0.631 -3.594 0.000) 3.649 17.165 ( 3.689 9.323 0.000) 10.027 17.389 ( 0.904 3.477 0.000) 3.593 17.466 ( -6.174 3.497 0.000) 7.095 17.511 ( -4.118 10.765 0.000) 11.526 18.192 ( 4.581 0.709 0.000) 4.635 18.269 ( -1.337 1.777 0.000) 2.224 18.715 ( 11.012 -19.759 0.000) 22.621 19.104 ( -6.939 -15.768 0.000) 17.228 19.424 ( 2.299 6.925 0.000) 7.296 19.541 ( -2.597 8.993 0.000) 9.360 19.813 ( 3.143 13.302 0.000) 13.668 20.114 ( -15.977 27.776 0.000) 32.044 27.099 ( 3.539 1.180 0.000) 3.731 27.182 ( 6.940 -0.320 0.000) 6.947 27.259 ( -3.853 1.688 0.000) 4.207 27.414 ( -3.357 -0.131 0.000) 3.360 28.305 ( 0.486 0.859 0.000) 0.987 28.323 ( -0.976 -0.865 0.000) 1.304 28.791 ( 4.373 -2.431 0.000) 5.003 28.958 ( -3.525 -2.852 0.000) 4.534 29.478 ( 0.916 -0.770 0.000) 1.197 29.520 ( -0.969 0.677 0.000) 1.182 30.604 ( 4.931 -18.345 0.000) 18.996 30.709 ( -0.675 -9.060 0.000) 9.085 30.806 ( 3.010 8.677 0.000) 9.184 31.063 ( -12.937 25.817 0.000) 28.877 31.466 ( 2.052 18.105 0.000) 18.221 31.750 ( -10.373 6.532 0.000) 12.259 34.485 ( 6.226 -2.477 0.000) 6.701 34.740 ( -5.509 -1.014 0.000) 5.602 35.282 ( 9.498 -6.538 0.000) 11.531 35.541 ( 1.549 -23.038 0.000) 23.090 107.463 ( 0.183 -0.079 0.000) 0.199 107.472 ( -0.239 0.017 0.000) 0.240 107.486 ( 0.270 -0.639 0.000) 0.693 107.489 ( 0.011 -0.151 0.000) 0.152 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -29.622 10.866 0.000) 31.552 2.636 ( 29.622 10.866 0.000) 31.552 2.694 ( -3.681 15.478 0.000) 15.909 2.694 ( 3.681 15.478 0.000) 15.909 3.248 ( -3.224 19.444 0.000) 19.709 3.248 ( 3.224 19.444 0.000) 19.709 4.010 ( -2.271 0.482 0.000) 2.322 4.010 ( 2.271 0.482 0.000) 2.322 4.293 ( -1.495 -3.092 0.000) 3.434 4.293 ( 1.495 -3.092 0.000) 3.434 4.468 ( -12.380 -0.140 0.000) 12.380 4.468 ( 12.380 -0.140 0.000) 12.380 4.953 ( -40.523 17.281 0.000) 44.053 4.953 ( 40.523 17.281 0.000) 44.053 5.100 ( -2.092 20.761 0.000) 20.866 5.100 ( 2.092 20.761 0.000) 20.866 5.273 ( -5.544 9.869 0.000) 11.320 5.273 ( 5.544 9.869 0.000) 11.320 5.609 ( -4.674 0.125 0.000) 4.675 5.609 ( 4.674 0.125 0.000) 4.675 6.311 ( -4.171 11.586 0.000) 12.314 6.311 ( 4.171 11.586 0.000) 12.314 6.523 ( -1.362 -2.849 0.000) 3.158 6.523 ( 1.362 -2.849 0.000) 3.158 7.054 ( -8.765 -0.981 0.000) 8.819 7.054 ( 8.765 -0.981 0.000) 8.819 7.666 ( -6.133 -7.794 0.000) 9.918 7.666 ( 6.133 -7.794 0.000) 9.918 8.111 ( -9.174 -5.477 0.000) 10.684 8.111 ( 9.174 -5.477 0.000) 10.684 8.232 ( -5.764 4.367 0.000) 7.231 8.232 ( 5.764 4.367 0.000) 7.231 8.393 ( -4.093 3.370 0.000) 5.302 8.393 ( 4.093 3.370 0.000) 5.302 8.762 ( -3.571 5.697 0.000) 6.724 8.762 ( 3.571 5.697 0.000) 6.724 9.118 ( -0.586 6.613 0.000) 6.638 9.118 ( 0.586 6.613 0.000) 6.638 9.437 ( -7.007 -7.612 0.000) 10.346 9.437 ( 7.007 -7.612 0.000) 10.346 9.920 ( -3.776 -2.550 0.000) 4.556 9.920 ( 3.776 -2.550 0.000) 4.556 10.309 ( -2.463 0.564 0.000) 2.527 10.309 ( 2.463 0.564 0.000) 2.527 11.115 ( -7.676 -17.432 0.000) 19.047 11.115 ( 7.676 -17.432 0.000) 19.047 11.187 ( -1.560 -4.873 0.000) 5.117 11.187 ( 1.560 -4.873 0.000) 5.117 11.668 ( -5.614 -3.070 0.000) 6.398 11.668 ( 5.614 -3.070 0.000) 6.398 11.998 ( -0.813 -9.944 0.000) 9.977 11.998 ( 0.813 -9.944 0.000) 9.977 12.147 ( -7.251 6.851 0.000) 9.976 12.147 ( 7.251 6.851 0.000) 9.976 12.820 ( -2.360 1.829 0.000) 2.985 12.820 ( 2.360 1.829 0.000) 2.985 12.949 ( -1.308 -5.297 0.000) 5.456 12.949 ( 1.308 -5.297 0.000) 5.456 13.064 ( -6.246 3.075 0.000) 6.961 13.064 ( 6.246 3.075 0.000) 6.961 13.797 ( -1.150 5.138 0.000) 5.265 13.797 ( 1.150 5.138 0.000) 5.265 14.122 ( -3.794 0.182 0.000) 3.798 14.122 ( 3.794 0.182 0.000) 3.798 14.428 ( -3.961 -7.094 0.000) 8.125 14.428 ( 3.961 -7.094 0.000) 8.125 14.803 ( -3.943 -14.642 0.000) 15.163 14.803 ( 3.943 -14.642 0.000) 15.163 16.452 ( -4.349 1.733 0.000) 4.682 16.452 ( 4.349 1.733 0.000) 4.682 16.875 ( -3.752 -3.020 0.000) 4.816 16.875 ( 3.752 -3.020 0.000) 4.816 17.297 ( -7.860 8.318 0.000) 11.444 17.297 ( 7.860 8.318 0.000) 11.444 17.446 ( -2.485 5.474 0.000) 6.012 17.446 ( 2.485 5.474 0.000) 6.012 18.246 ( -1.332 1.045 0.000) 1.693 18.246 ( 1.332 1.045 0.000) 1.693 18.930 ( -10.070 -17.823 0.000) 20.471 18.930 ( 10.070 -17.823 0.000) 20.471 19.480 ( -3.173 8.422 0.000) 9.000 19.480 ( 3.173 8.422 0.000) 9.000 19.906 ( -6.511 17.918 0.000) 19.065 19.906 ( 6.511 17.918 0.000) 19.065 27.177 ( -4.118 1.552 0.000) 4.401 27.177 ( 4.118 1.552 0.000) 4.401 27.318 ( -6.069 -0.354 0.000) 6.079 27.318 ( 6.069 -0.354 0.000) 6.079 28.312 ( -0.281 -0.203 0.000) 0.347 28.312 ( 0.281 -0.203 0.000) 0.347 28.878 ( -4.209 -2.328 0.000) 4.810 28.878 ( 4.209 -2.328 0.000) 4.810 29.499 ( -1.093 -0.227 0.000) 1.116 29.499 ( 1.093 -0.227 0.000) 1.116 30.680 ( -2.515 -13.735 0.000) 13.963 30.680 ( 2.515 -13.735 0.000) 13.963 30.889 ( -5.647 14.536 0.000) 15.594 30.889 ( 5.647 14.536 0.000) 15.594 31.563 ( -7.477 12.450 0.000) 14.523 31.563 ( 7.477 12.450 0.000) 14.523 34.617 ( -6.599 -1.573 0.000) 6.784 34.617 ( 6.599 -1.573 0.000) 6.784 35.462 ( -7.585 -12.143 0.000) 14.317 35.462 ( 7.585 -12.143 0.000) 14.317 107.467 ( -0.239 -0.025 0.000) 0.240 107.467 ( 0.239 -0.025 0.000) 0.240 107.489 ( -0.057 -0.326 0.000) 0.331 107.489 ( 0.057 -0.326 0.000) 0.331 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 0.000 42.297 0.000) 42.297 1.794 ( 0.000 43.980 0.000) 43.980 2.380 ( 0.000 17.095 0.000) 17.095 2.925 ( 0.000 48.374 0.000) 48.374 3.333 ( 0.000 0.844 0.000) 0.844 3.790 ( 0.000 -5.347 0.000) 5.347 4.089 ( 0.000 -15.611 0.000) 15.611 4.228 ( 0.000 -0.838 0.000) 0.838 4.259 ( 0.000 1.114 0.000) 1.114 4.299 ( 0.000 -1.547 0.000) 1.547 4.468 ( 0.000 -17.512 0.000) 17.512 4.656 ( 0.000 -3.772 0.000) 3.772 4.968 ( 0.000 24.855 0.000) 24.855 5.112 ( 0.000 5.862 0.000) 5.862 5.121 ( 0.000 26.481 0.000) 26.481 5.294 ( 0.000 10.807 0.000) 10.807 5.422 ( 0.000 19.160 0.000) 19.160 5.950 ( 0.000 7.827 0.000) 7.827 6.165 ( 0.000 -5.604 0.000) 5.604 6.226 ( 0.000 11.297 0.000) 11.297 6.358 ( 0.000 -13.467 0.000) 13.467 6.428 ( 0.000 25.104 0.000) 25.104 6.482 ( 0.000 12.786 0.000) 12.786 6.583 ( 0.000 16.980 0.000) 16.980 6.958 ( 0.000 12.122 0.000) 12.122 7.108 ( 0.000 3.453 0.000) 3.453 7.537 ( 0.000 19.001 0.000) 19.001 7.613 ( 0.000 8.190 0.000) 8.190 8.022 ( 0.000 15.495 0.000) 15.495 8.235 ( 0.000 -12.101 0.000) 12.101 8.344 ( 0.000 10.746 0.000) 10.746 8.451 ( 0.000 26.904 0.000) 26.904 8.602 ( 0.000 -1.310 0.000) 1.310 8.728 ( 0.000 -1.530 0.000) 1.530 9.071 ( 0.000 -24.597 0.000) 24.597 9.258 ( 0.000 6.818 0.000) 6.818 9.268 ( 0.000 -15.953 0.000) 15.953 9.318 ( 0.000 -9.314 0.000) 9.314 9.421 ( 0.000 5.467 0.000) 5.467 9.799 ( 0.000 9.035 0.000) 9.035 10.056 ( 0.000 0.349 0.000) 0.349 10.078 ( 0.000 5.327 0.000) 5.327 10.246 ( 0.000 -2.291 0.000) 2.291 10.332 ( 0.000 -13.704 0.000) 13.704 10.551 ( 0.000 -8.680 0.000) 8.680 10.649 ( 0.000 6.426 0.000) 6.426 10.722 ( 0.000 -23.391 0.000) 23.391 11.204 ( 0.000 -11.139 0.000) 11.139 11.231 ( 0.000 -8.970 0.000) 8.970 11.340 ( 0.000 -11.022 0.000) 11.022 11.617 ( 0.000 -13.309 0.000) 13.309 11.697 ( 0.000 -25.107 0.000) 25.107 12.068 ( 0.000 -1.195 0.000) 1.195 12.516 ( 0.000 1.838 0.000) 1.838 12.677 ( 0.000 -10.167 0.000) 10.167 12.800 ( 0.000 14.872 0.000) 14.872 12.802 ( 0.000 -5.577 0.000) 5.577 13.060 ( 0.000 2.896 0.000) 2.896 13.080 ( 0.000 5.870 0.000) 5.870 13.194 ( 0.000 -1.885 0.000) 1.885 13.401 ( 0.000 6.402 0.000) 6.402 13.886 ( 0.000 3.754 0.000) 3.754 13.991 ( 0.000 -8.587 0.000) 8.587 14.106 ( 0.000 -16.073 0.000) 16.073 14.133 ( 0.000 -7.154 0.000) 7.154 14.455 ( 0.000 -1.219 0.000) 1.219 14.504 ( 0.000 -1.037 0.000) 1.037 14.656 ( 0.000 -14.176 0.000) 14.176 16.369 ( 0.000 7.035 0.000) 7.035 16.617 ( 0.000 1.466 0.000) 1.466 16.641 ( 0.000 1.127 0.000) 1.127 16.894 ( 0.000 -0.970 0.000) 0.970 17.316 ( 0.000 9.132 0.000) 9.132 17.419 ( 0.000 4.355 0.000) 4.355 17.598 ( 0.000 -0.889 0.000) 0.889 17.905 ( 0.000 4.800 0.000) 4.800 17.997 ( 0.000 1.071 0.000) 1.071 18.205 ( 0.000 -5.053 0.000) 5.053 18.363 ( 0.000 1.802 0.000) 1.802 18.965 ( 0.000 -12.809 0.000) 12.809 19.540 ( 0.000 9.904 0.000) 9.904 19.842 ( 0.000 16.088 0.000) 16.088 19.925 ( 0.000 5.659 0.000) 5.659 21.230 ( 0.000 -10.539 0.000) 10.539 26.996 ( 0.000 0.469 0.000) 0.469 27.054 ( 0.000 0.720 0.000) 0.720 27.386 ( 0.000 2.145 0.000) 2.145 27.478 ( 0.000 0.454 0.000) 0.454 28.345 ( 0.000 -0.709 0.000) 0.709 28.389 ( 0.000 6.353 0.000) 6.353 28.592 ( 0.000 -4.567 0.000) 4.567 28.977 ( 0.000 -0.674 0.000) 0.674 29.480 ( 0.000 0.334 0.000) 0.334 29.595 ( 0.000 3.853 0.000) 3.853 30.011 ( 0.000 -18.868 0.000) 18.868 30.443 ( 0.000 -15.340 0.000) 15.340 31.021 ( 0.000 16.044 0.000) 16.044 31.883 ( 0.000 22.858 0.000) 22.858 32.013 ( 0.000 -2.787 0.000) 2.787 33.044 ( 0.000 -4.435 0.000) 4.435 33.861 ( 0.000 0.963 0.000) 0.963 34.234 ( 0.000 -6.359 0.000) 6.359 34.858 ( 0.000 -1.206 0.000) 1.206 34.973 ( 0.000 -2.612 0.000) 2.612 107.453 ( 0.000 -0.110 0.000) 0.110 107.456 ( 0.000 -0.175 0.000) 0.175 107.480 ( 0.000 0.091 0.000) 0.091 107.488 ( 0.000 -0.053 0.000) 0.053 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 16.748 37.565 0.000) 41.129 2.188 ( 31.821 34.297 0.000) 46.785 2.514 ( 12.420 16.460 0.000) 20.620 3.094 ( 16.385 38.783 0.000) 42.102 3.420 ( 7.836 1.100 0.000) 7.913 3.875 ( 7.977 -5.187 0.000) 9.515 4.085 ( -0.592 -13.328 0.000) 13.341 4.106 ( -13.156 2.702 0.000) 13.430 4.140 ( -8.832 11.427 0.000) 14.442 4.279 ( -2.223 -3.244 0.000) 3.933 4.508 ( 2.990 -12.696 0.000) 13.043 4.622 ( -3.310 1.720 0.000) 3.730 4.946 ( -8.135 7.944 0.000) 11.370 4.980 ( -8.867 23.057 0.000) 24.703 5.028 ( 5.406 12.937 0.000) 14.022 5.421 ( 7.649 12.366 0.000) 14.541 5.539 ( 7.311 18.697 0.000) 20.076 5.950 ( -0.090 8.163 0.000) 8.163 6.103 ( -5.824 11.190 0.000) 12.615 6.279 ( -8.806 -8.392 0.000) 12.164 6.290 ( 4.266 -1.723 0.000) 4.601 6.428 ( -0.676 8.257 0.000) 8.285 6.505 ( 5.484 20.925 0.000) 21.632 6.626 ( 0.361 17.305 0.000) 17.309 7.059 ( 9.649 6.784 0.000) 11.795 7.168 ( 4.944 9.463 0.000) 10.677 7.514 ( -2.117 21.362 0.000) 21.467 7.615 ( 0.670 6.232 0.000) 6.268 7.955 ( -6.070 9.276 0.000) 11.086 8.204 ( -3.216 -12.109 0.000) 12.529 8.278 ( -4.218 15.590 0.000) 16.151 8.529 ( -6.909 -2.503 0.000) 7.349 8.539 ( 6.064 19.549 0.000) 20.468 8.645 ( -7.198 -0.365 0.000) 7.207 9.076 ( -14.624 -8.474 0.000) 16.902 9.094 ( 2.186 -18.181 0.000) 18.312 9.222 ( -8.518 -13.681 0.000) 16.116 9.330 ( 4.386 8.389 0.000) 9.466 9.333 ( -10.519 -4.009 0.000) 11.257 9.705 ( -8.347 4.784 0.000) 9.621 9.852 ( -8.817 12.193 0.000) 15.047 10.032 ( -2.082 0.814 0.000) 2.235 10.214 ( -5.493 -12.194 0.000) 13.374 10.322 ( 4.126 -0.145 0.000) 4.128 10.579 ( 5.048 -1.055 0.000) 5.157 10.851 ( 6.307 -19.820 0.000) 20.799 10.860 ( 11.176 -7.917 0.000) 13.696 11.126 ( -6.812 -11.762 0.000) 13.592 11.340 ( 8.127 -12.726 0.000) 15.099 11.357 ( 1.392 -12.334 0.000) 12.413 11.655 ( 2.841 -13.821 0.000) 14.111 11.693 ( -0.160 -23.410 0.000) 23.410 12.075 ( 1.315 1.696 0.000) 2.146 12.506 ( -1.058 2.936 0.000) 3.121 12.762 ( 7.194 -7.997 0.000) 10.757 12.791 ( -0.142 -1.942 0.000) 1.947 12.822 ( 1.146 10.664 0.000) 10.725 12.985 ( -2.548 6.884 0.000) 7.340 13.077 ( -1.626 2.917 0.000) 3.340 13.368 ( -3.210 5.698 0.000) 6.540 13.376 ( 13.365 -10.316 0.000) 16.883 13.875 ( -0.476 4.327 0.000) 4.353 14.018 ( 2.069 -7.881 0.000) 8.148 14.115 ( 1.005 -14.738 0.000) 14.772 14.152 ( 1.678 -7.439 0.000) 7.626 14.373 ( -5.833 0.272 0.000) 5.839 14.521 ( -0.223 -3.476 0.000) 3.484 14.630 ( -2.610 -15.017 0.000) 15.242 16.397 ( 2.567 6.789 0.000) 7.258 16.586 ( -1.477 1.931 0.000) 2.431 16.694 ( 3.355 0.118 0.000) 3.357 16.887 ( -0.798 -2.266 0.000) 2.403 17.320 ( 1.050 10.645 0.000) 10.697 17.434 ( 1.610 4.779 0.000) 5.043 17.599 ( -0.211 1.592 0.000) 1.606 17.838 ( -4.773 7.577 0.000) 8.955 18.084 ( 6.322 0.512 0.000) 6.343 18.253 ( 4.577 -8.730 0.000) 9.857 18.338 ( -2.231 1.260 0.000) 2.562 18.922 ( -4.241 -13.294 0.000) 13.954 19.559 ( 1.955 10.273 0.000) 10.457 19.829 ( -1.413 15.502 0.000) 15.566 19.949 ( 2.444 6.088 0.000) 6.560 20.952 ( -22.842 0.813 0.000) 22.857 27.041 ( 4.130 0.561 0.000) 4.168 27.081 ( 2.759 0.735 0.000) 2.855 27.364 ( -2.117 2.298 0.000) 3.125 27.463 ( -1.550 0.268 0.000) 1.573 28.331 ( -0.968 -0.238 0.000) 0.996 28.379 ( -0.895 5.989 0.000) 6.056 28.633 ( 3.623 -4.631 0.000) 5.880 28.959 ( -1.954 -1.807 0.000) 2.661 29.470 ( -0.445 0.444 0.000) 0.628 29.585 ( -1.024 3.673 0.000) 3.813 30.082 ( 6.106 -18.849 0.000) 19.814 30.437 ( -0.686 -15.623 0.000) 15.639 31.042 ( 2.134 16.305 0.000) 16.444 31.852 ( -2.940 21.055 0.000) 21.259 31.964 ( -4.408 -1.054 0.000) 4.532 32.265 ( -42.301 19.772 0.000) 46.694 34.289 ( 5.194 -5.228 0.000) 7.370 34.573 ( 36.199 -22.209 0.000) 42.469 34.816 ( -3.605 -0.713 0.000) 3.675 35.023 ( 4.197 -4.662 0.000) 6.273 107.457 ( 0.179 -0.171 0.000) 0.247 107.462 ( 0.591 -0.374 0.000) 0.700 107.478 ( -0.175 0.083 0.000) 0.194 107.487 ( -0.052 -0.095 0.000) 0.109 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 26.792 28.250 0.000) 38.934 2.779 ( 23.051 26.995 0.000) 35.498 2.817 ( 15.718 15.476 0.000) 22.058 3.383 ( -2.100 14.439 0.000) 14.591 3.592 ( 7.397 4.624 0.000) 8.723 3.808 ( -11.810 15.930 0.000) 19.830 3.977 ( -0.758 13.318 0.000) 13.340 4.007 ( -0.387 -6.121 0.000) 6.133 4.122 ( 8.537 -5.097 0.000) 9.943 4.214 ( -3.199 -6.262 0.000) 7.032 4.504 ( -4.038 8.618 0.000) 9.517 4.579 ( -2.310 -1.439 0.000) 2.722 4.897 ( 5.989 7.598 0.000) 9.675 4.928 ( 4.960 -1.408 0.000) 5.156 5.182 ( 9.666 19.404 0.000) 21.678 5.571 ( 7.216 13.098 0.000) 14.954 5.619 ( -0.237 18.534 0.000) 18.535 5.937 ( -2.155 13.717 0.000) 13.886 5.943 ( -8.867 17.623 0.000) 19.728 6.050 ( -13.872 -2.876 0.000) 14.167 6.353 ( 1.935 -6.944 0.000) 7.209 6.457 ( 2.891 8.878 0.000) 9.337 6.527 ( -9.442 16.011 0.000) 18.588 6.576 ( 0.790 19.808 0.000) 19.824 7.263 ( 3.956 21.357 0.000) 21.720 7.284 ( 9.545 1.873 0.000) 9.727 7.478 ( 0.282 22.882 0.000) 22.883 7.634 ( -0.039 1.252 0.000) 1.252 7.864 ( 0.126 0.359 0.000) 0.380 8.106 ( -6.356 -11.028 0.000) 12.729 8.210 ( -2.047 7.365 0.000) 7.644 8.360 ( -8.626 -3.142 0.000) 9.181 8.486 ( -7.386 -0.580 0.000) 7.409 8.569 ( -7.000 2.316 0.000) 7.373 8.835 ( -3.576 2.680 0.000) 4.468 9.036 ( -12.047 -8.752 0.000) 14.891 9.094 ( -1.683 -7.637 0.000) 7.820 9.170 ( 1.517 -7.789 0.000) 7.936 9.407 ( 2.278 8.093 0.000) 8.408 9.528 ( -8.165 5.753 0.000) 9.988 9.826 ( 3.159 8.434 0.000) 9.006 9.970 ( -3.369 1.019 0.000) 3.519 10.201 ( 2.974 -7.748 0.000) 8.299 10.355 ( -1.264 -0.220 0.000) 1.283 10.696 ( 6.097 -5.982 0.000) 8.541 10.936 ( 0.927 -15.556 0.000) 15.584 10.985 ( -4.763 -12.917 0.000) 13.767 11.005 ( 3.272 -12.932 0.000) 13.339 11.385 ( 1.284 -15.665 0.000) 15.717 11.431 ( 0.687 -16.694 0.000) 16.708 11.699 ( 0.790 -19.262 0.000) 19.278 11.706 ( 1.638 -15.047 0.000) 15.136 12.159 ( 7.275 7.190 0.000) 10.229 12.461 ( -4.083 6.648 0.000) 7.802 12.801 ( 1.290 -3.954 0.000) 4.159 12.849 ( 1.764 9.082 0.000) 9.251 12.872 ( 1.585 -4.908 0.000) 5.158 12.949 ( -1.895 5.069 0.000) 5.412 13.067 ( 2.199 5.548 0.000) 5.968 13.278 ( -5.479 5.303 0.000) 7.625 13.652 ( 13.046 -12.705 0.000) 18.210 13.881 ( 0.695 3.525 0.000) 3.593 14.059 ( 1.973 -4.703 0.000) 5.100 14.144 ( 1.396 -13.241 0.000) 13.314 14.190 ( 1.769 -9.229 0.000) 9.397 14.252 ( -5.630 -1.574 0.000) 5.846 14.495 ( -1.780 -6.315 0.000) 6.561 14.555 ( -4.516 -16.836 0.000) 17.431 16.460 ( 3.325 5.999 0.000) 6.859 16.559 ( -1.437 2.834 0.000) 3.178 16.760 ( 3.083 -1.414 0.000) 3.392 16.859 ( -1.887 -3.286 0.000) 3.789 17.376 ( 4.456 11.454 0.000) 12.291 17.492 ( 4.325 6.661 0.000) 7.942 17.571 ( -2.927 6.334 0.000) 6.977 17.730 ( -5.993 10.014 0.000) 11.670 18.197 ( 4.059 -0.610 0.000) 4.105 18.290 ( -2.209 0.011 0.000) 2.209 18.393 ( 9.341 -12.975 0.000) 15.988 18.796 ( -8.211 -14.222 0.000) 16.422 19.617 ( 3.672 11.321 0.000) 11.902 19.782 ( -3.326 14.186 0.000) 14.571 20.030 ( 5.778 7.432 0.000) 9.414 20.501 ( -19.537 9.835 0.000) 21.873 27.130 ( 4.271 1.684 0.000) 4.591 27.177 ( 6.565 -0.096 0.000) 6.565 27.303 ( -3.814 2.510 0.000) 4.566 27.412 ( -3.737 -0.122 0.000) 3.739 28.319 ( -0.035 0.918 0.000) 0.919 28.357 ( -1.263 4.449 0.000) 4.625 28.720 ( 4.728 -4.509 0.000) 6.533 28.899 ( -3.785 -3.147 0.000) 4.922 29.478 ( 1.236 0.959 0.000) 1.564 29.555 ( -1.873 3.051 0.000) 3.580 30.218 ( 6.749 -18.443 0.000) 19.639 30.409 ( -2.335 -16.453 0.000) 16.618 31.115 ( 5.435 17.411 0.000) 18.240 31.604 ( -22.174 23.920 0.000) 32.617 31.809 ( -2.853 15.068 0.000) 15.336 31.863 ( -4.896 3.480 0.000) 6.007 34.425 ( 7.798 -2.991 0.000) 8.352 34.721 ( -5.861 -0.597 0.000) 5.891 35.052 ( 12.772 -22.535 0.000) 25.903 35.115 ( 4.322 -9.195 0.000) 10.160 107.461 ( 0.257 -0.089 0.000) 0.272 107.473 ( -0.281 0.053 0.000) 0.286 107.474 ( 0.491 -0.511 0.000) 0.709 107.485 ( -0.138 -0.212 0.000) 0.253 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( -24.613 18.787 0.000) 30.964 2.944 ( 24.613 18.787 0.000) 30.964 3.040 ( -5.488 17.623 0.000) 18.457 3.040 ( 5.488 17.623 0.000) 18.457 3.665 ( -2.332 18.322 0.000) 18.470 3.665 ( 2.332 18.322 0.000) 18.470 4.009 ( -1.916 -1.491 0.000) 2.428 4.009 ( 1.916 -1.491 0.000) 2.428 4.227 ( -1.905 -2.534 0.000) 3.170 4.227 ( 1.905 -2.534 0.000) 3.170 4.482 ( -4.667 1.203 0.000) 4.819 4.482 ( 4.667 1.203 0.000) 4.819 5.036 ( -0.550 -12.558 0.000) 12.570 5.036 ( 0.550 -12.558 0.000) 12.570 5.489 ( -17.088 30.501 0.000) 34.962 5.489 ( 17.088 30.501 0.000) 34.962 5.720 ( -11.514 18.204 0.000) 21.540 5.720 ( 11.514 18.204 0.000) 21.540 5.859 ( -2.544 14.423 0.000) 14.645 5.859 ( 2.544 14.423 0.000) 14.645 6.386 ( -2.622 -2.069 0.000) 3.340 6.386 ( 2.622 -2.069 0.000) 3.340 6.538 ( -3.863 14.768 0.000) 15.264 6.538 ( 3.863 14.768 0.000) 15.264 7.328 ( -2.379 22.456 0.000) 22.582 7.328 ( 2.379 22.456 0.000) 22.582 7.579 ( -5.809 3.059 0.000) 6.565 7.579 ( 5.809 3.059 0.000) 6.565 7.962 ( -7.396 -7.551 0.000) 10.570 7.962 ( 7.396 -7.551 0.000) 10.570 8.224 ( -4.038 -0.852 0.000) 4.126 8.224 ( 4.038 -0.852 0.000) 4.126 8.422 ( -2.769 -3.013 0.000) 4.092 8.422 ( 2.769 -3.013 0.000) 4.092 8.864 ( -4.674 -4.472 0.000) 6.469 8.864 ( 4.674 -4.472 0.000) 6.469 9.152 ( -4.372 2.545 0.000) 5.059 9.152 ( 4.372 2.545 0.000) 5.059 9.427 ( -1.327 3.416 0.000) 3.665 9.427 ( 1.327 3.416 0.000) 3.665 9.903 ( -3.652 3.660 0.000) 5.171 9.903 ( 3.652 3.660 0.000) 5.171 10.286 ( -4.701 -3.086 0.000) 5.623 10.286 ( 4.701 -3.086 0.000) 5.623 10.823 ( -6.671 -9.733 0.000) 11.800 10.823 ( 6.671 -9.733 0.000) 11.800 11.013 ( -1.819 -15.419 0.000) 15.526 11.013 ( 1.819 -15.419 0.000) 15.526 11.412 ( -1.540 -17.385 0.000) 17.453 11.412 ( 1.540 -17.385 0.000) 17.453 11.715 ( -0.441 -16.307 0.000) 16.313 11.715 ( 0.441 -16.307 0.000) 16.313 12.331 ( -8.483 9.106 0.000) 12.445 12.331 ( 8.483 9.106 0.000) 12.445 12.844 ( -2.654 -3.601 0.000) 4.473 12.844 ( 2.654 -3.601 0.000) 4.473 12.898 ( -2.917 4.670 0.000) 5.507 12.898 ( 2.917 4.670 0.000) 5.507 13.160 ( -5.908 6.023 0.000) 8.437 13.160 ( 5.908 6.023 0.000) 8.437 13.849 ( -5.447 -2.433 0.000) 5.966 13.849 ( 5.447 -2.433 0.000) 5.966 14.113 ( -3.732 -1.987 0.000) 4.228 14.113 ( 3.732 -1.987 0.000) 4.228 14.206 ( -0.276 -13.353 0.000) 13.356 14.206 ( 0.276 -13.353 0.000) 13.356 14.484 ( -1.539 -13.052 0.000) 13.142 14.484 ( 1.539 -13.052 0.000) 13.142 16.520 ( -2.513 4.487 0.000) 5.143 16.520 ( 2.513 4.487 0.000) 5.143 16.815 ( -2.451 -2.690 0.000) 3.640 16.815 ( 2.451 -2.690 0.000) 3.640 17.482 ( -5.458 9.827 0.000) 11.241 17.482 ( 5.458 9.827 0.000) 11.241 17.603 ( -6.312 9.109 0.000) 11.083 17.603 ( 6.312 9.109 0.000) 11.083 18.251 ( -1.899 -0.862 0.000) 2.085 18.251 ( 1.899 -0.862 0.000) 2.085 18.602 ( -10.656 -14.423 0.000) 17.932 18.602 ( 10.656 -14.423 0.000) 17.932 19.701 ( -4.427 12.744 0.000) 13.491 19.701 ( 4.427 12.744 0.000) 13.491 20.195 ( -11.196 9.530 0.000) 14.703 20.195 ( 11.196 9.530 0.000) 14.703 27.218 ( -4.479 2.320 0.000) 5.044 27.218 ( 4.479 2.320 0.000) 5.044 27.311 ( -6.156 -0.318 0.000) 6.164 27.311 ( 6.156 -0.318 0.000) 6.164 28.331 ( -1.108 2.518 0.000) 2.751 28.331 ( 1.108 2.518 0.000) 2.751 28.814 ( -4.541 -3.964 0.000) 6.028 28.814 ( 4.541 -3.964 0.000) 6.028 29.514 ( -2.106 1.991 0.000) 2.898 29.514 ( 2.106 1.991 0.000) 2.898 30.337 ( -4.852 -17.556 0.000) 18.214 30.337 ( 4.852 -17.556 0.000) 18.214 31.277 ( -11.325 20.055 0.000) 23.032 31.277 ( 11.325 20.055 0.000) 23.032 31.795 ( -1.430 9.356 0.000) 9.465 31.795 ( 1.430 9.356 0.000) 9.465 34.583 ( -7.637 -1.297 0.000) 7.746 34.583 ( 7.637 -1.297 0.000) 7.746 35.165 ( -0.255 -15.525 0.000) 15.527 35.165 ( 0.255 -15.525 0.000) 15.527 107.467 ( -0.305 -0.007 0.000) 0.305 107.467 ( 0.305 -0.007 0.000) 0.305 107.481 ( -0.276 -0.378 0.000) 0.468 107.481 ( 0.276 -0.378 0.000) 0.468 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 0.000 39.349 0.000) 39.349 2.667 ( 0.000 41.462 0.000) 41.462 2.753 ( 0.000 19.300 0.000) 19.300 3.365 ( 0.000 0.121 0.000) 0.121 3.589 ( 0.000 20.396 0.000) 20.396 3.694 ( 0.000 -4.790 0.000) 4.790 3.748 ( 0.000 -15.404 0.000) 15.404 4.014 ( 0.000 -26.640 0.000) 26.640 4.017 ( 0.000 -18.675 0.000) 18.675 4.159 ( 0.000 -9.130 0.000) 9.130 4.325 ( 0.000 3.491 0.000) 3.491 4.547 ( 0.000 -6.614 0.000) 6.614 5.258 ( 0.000 7.900 0.000) 7.900 5.419 ( 0.000 6.999 0.000) 6.999 5.522 ( 0.000 13.219 0.000) 13.219 5.727 ( 0.000 11.296 0.000) 11.296 5.734 ( 0.000 19.135 0.000) 19.135 5.900 ( 0.000 -7.816 0.000) 7.816 6.085 ( 0.000 -10.537 0.000) 10.537 6.109 ( 0.000 -10.663 0.000) 10.663 6.135 ( 0.000 26.141 0.000) 26.141 6.819 ( 0.000 16.928 0.000) 16.928 6.950 ( 0.000 11.502 0.000) 11.502 7.233 ( 0.000 14.735 0.000) 14.735 7.291 ( 0.000 35.462 0.000) 35.462 7.335 ( 0.000 19.118 0.000) 19.118 7.744 ( 0.000 4.192 0.000) 4.192 7.953 ( 0.000 -14.514 0.000) 14.514 8.188 ( 0.000 39.014 0.000) 39.014 8.341 ( 0.000 -23.537 0.000) 23.537 8.403 ( 0.000 19.314 0.000) 19.314 8.521 ( 0.000 5.088 0.000) 5.088 8.716 ( 0.000 -4.419 0.000) 4.419 8.723 ( 0.000 2.645 0.000) 2.645 8.927 ( 0.000 -5.911 0.000) 5.911 9.073 ( 0.000 -9.926 0.000) 9.926 9.152 ( 0.000 29.603 0.000) 29.603 9.282 ( 0.000 -20.504 0.000) 20.504 9.515 ( 0.000 15.512 0.000) 15.512 9.938 ( 0.000 7.127 0.000) 7.127 10.020 ( 0.000 -15.916 0.000) 15.916 10.022 ( 0.000 -34.544 0.000) 34.544 10.042 ( 0.000 -0.330 0.000) 0.330 10.214 ( 0.000 -9.254 0.000) 9.254 10.306 ( 0.000 -15.688 0.000) 15.688 10.337 ( 0.000 17.023 0.000) 17.023 10.759 ( 0.000 1.540 0.000) 1.540 10.989 ( 0.000 -11.636 0.000) 11.636 11.098 ( 0.000 -10.531 0.000) 10.531 11.099 ( 0.000 -30.484 0.000) 30.484 11.119 ( 0.000 -2.511 0.000) 2.511 11.332 ( 0.000 -12.932 0.000) 12.932 12.075 ( 0.000 2.814 0.000) 2.814 12.418 ( 0.000 -12.996 0.000) 12.996 12.532 ( 0.000 1.650 0.000) 1.650 12.691 ( 0.000 -5.293 0.000) 5.293 13.124 ( 0.000 3.047 0.000) 3.047 13.165 ( 0.000 2.189 0.000) 2.189 13.180 ( 0.000 18.786 0.000) 18.786 13.264 ( 0.000 7.522 0.000) 7.522 13.543 ( 0.000 8.552 0.000) 8.552 13.755 ( 0.000 -12.803 0.000) 12.803 13.766 ( 0.000 -16.273 0.000) 16.273 13.976 ( 0.000 5.077 0.000) 5.077 14.000 ( 0.000 -7.676 0.000) 7.676 14.343 ( 0.000 -15.231 0.000) 15.231 14.444 ( 0.000 0.096 0.000) 0.096 14.480 ( 0.000 -1.261 0.000) 1.261 16.520 ( 0.000 7.664 0.000) 7.664 16.652 ( 0.000 1.743 0.000) 1.743 16.666 ( 0.000 1.094 0.000) 1.094 16.814 ( 0.000 -5.971 0.000) 5.971 17.510 ( 0.000 3.868 0.000) 3.868 17.561 ( 0.000 13.496 0.000) 13.496 17.581 ( 0.000 -0.745 0.000) 0.745 17.990 ( 0.000 3.322 0.000) 3.322 17.992 ( 0.000 -3.269 0.000) 3.269 18.088 ( 0.000 -4.996 0.000) 4.996 18.411 ( 0.000 3.593 0.000) 3.593 18.722 ( 0.000 -10.978 0.000) 10.978 19.748 ( 0.000 9.880 0.000) 9.880 19.981 ( 0.000 -0.295 0.000) 0.295 20.211 ( 0.000 19.526 0.000) 19.526 20.964 ( 0.000 -15.556 0.000) 15.556 27.015 ( 0.000 1.344 0.000) 1.344 27.060 ( 0.000 -0.223 0.000) 0.223 27.430 ( 0.000 2.069 0.000) 2.069 27.481 ( 0.000 -0.280 0.000) 0.280 28.350 ( 0.000 1.414 0.000) 1.414 28.493 ( 0.000 -4.937 0.000) 4.937 28.553 ( 0.000 9.630 0.000) 9.630 28.924 ( 0.000 -5.190 0.000) 5.190 29.491 ( 0.000 0.876 0.000) 0.876 29.690 ( 0.000 -11.992 0.000) 11.992 29.703 ( 0.000 6.936 0.000) 6.936 30.136 ( 0.000 -14.222 0.000) 14.222 31.358 ( 0.000 16.447 0.000) 16.447 31.897 ( 0.000 -8.662 0.000) 8.662 32.320 ( 0.000 19.772 0.000) 19.772 32.911 ( 0.000 -8.935 0.000) 8.935 33.897 ( 0.000 2.715 0.000) 2.715 34.097 ( 0.000 -6.727 0.000) 6.727 34.847 ( 0.000 0.293 0.000) 0.293 34.917 ( 0.000 -2.685 0.000) 2.685 107.451 ( 0.000 -0.059 0.000) 0.059 107.453 ( 0.000 -0.142 0.000) 0.142 107.482 ( 0.000 0.117 0.000) 0.117 107.486 ( 0.000 -0.085 0.000) 0.085 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 10.267 36.384 0.000) 37.805 2.875 ( 11.194 18.713 0.000) 21.806 2.902 ( 20.317 35.052 0.000) 40.514 3.458 ( 8.666 0.419 0.000) 8.677 3.643 ( 4.600 17.844 0.000) 18.427 3.739 ( 3.806 -10.605 0.000) 11.267 3.828 ( 7.689 -7.971 0.000) 11.075 4.004 ( -1.128 -11.656 0.000) 11.711 4.094 ( 7.983 -25.096 0.000) 26.335 4.214 ( -1.332 -1.198 0.000) 1.792 4.249 ( -1.043 -2.503 0.000) 2.712 4.521 ( -2.920 -10.620 0.000) 11.014 5.009 ( -15.451 11.360 0.000) 19.177 5.389 ( -10.945 15.636 0.000) 19.086 5.547 ( 4.528 1.802 0.000) 4.874 5.738 ( 1.987 13.113 0.000) 13.262 5.818 ( 6.175 8.440 0.000) 10.458 5.900 ( -0.806 -9.234 0.000) 9.269 6.056 ( -3.835 -7.662 0.000) 8.568 6.156 ( 6.199 20.180 0.000) 21.111 6.184 ( 3.927 3.762 0.000) 5.438 6.831 ( 1.353 20.392 0.000) 20.437 6.959 ( 0.488 11.742 0.000) 11.752 7.162 ( -2.483 18.026 0.000) 18.196 7.385 ( 3.963 31.639 0.000) 31.886 7.398 ( 5.311 14.200 0.000) 15.161 7.755 ( 1.266 5.406 0.000) 5.552 7.917 ( -2.920 -14.752 0.000) 15.039 8.196 ( 0.580 38.445 0.000) 38.449 8.245 ( -10.424 15.886 0.000) 19.000 8.325 ( -2.035 -21.312 0.000) 21.409 8.565 ( -1.541 5.492 0.000) 5.704 8.624 ( -7.724 -2.184 0.000) 8.027 8.746 ( 2.125 -3.629 0.000) 4.205 8.800 ( -10.653 4.487 0.000) 11.560 8.930 ( -13.152 -11.054 0.000) 17.181 9.062 ( -17.603 -20.846 0.000) 27.284 9.168 ( 1.706 24.869 0.000) 24.928 9.534 ( -0.473 8.241 0.000) 8.255 9.872 ( -4.725 7.604 0.000) 8.953 9.922 ( -1.779 -14.325 0.000) 14.435 10.044 ( -4.634 -4.263 0.000) 6.297 10.059 ( 1.134 4.709 0.000) 4.843 10.180 ( 6.527 -24.509 0.000) 25.363 10.421 ( 6.589 -19.353 0.000) 20.444 10.446 ( 3.754 4.022 0.000) 5.502 10.739 ( -2.105 -4.191 0.000) 4.690 10.938 ( -5.070 -8.480 0.000) 9.880 11.053 ( 0.039 -16.585 0.000) 16.585 11.175 ( 4.460 -5.057 0.000) 6.743 11.206 ( 5.649 -18.924 0.000) 19.749 11.358 ( 1.681 -13.399 0.000) 13.504 12.137 ( 6.205 4.791 0.000) 7.840 12.522 ( 9.944 -13.456 0.000) 16.732 12.534 ( 0.356 1.884 0.000) 1.917 12.691 ( 0.298 -4.973 0.000) 4.982 13.095 ( -2.299 3.643 0.000) 4.308 13.139 ( -1.956 2.194 0.000) 2.939 13.195 ( 0.401 19.650 0.000) 19.654 13.318 ( 4.567 4.160 0.000) 6.178 13.495 ( -4.208 7.575 0.000) 8.666 13.790 ( 2.155 -16.005 0.000) 16.150 13.794 ( 3.070 -12.473 0.000) 12.845 13.946 ( -2.403 -1.366 0.000) 2.764 14.023 ( 1.899 -3.132 0.000) 3.663 14.312 ( -2.793 -14.460 0.000) 14.728 14.392 ( -4.426 1.373 0.000) 4.634 14.467 ( -1.852 -2.212 0.000) 2.885 16.541 ( 1.857 7.152 0.000) 7.389 16.635 ( -0.709 2.632 0.000) 2.726 16.695 ( 1.816 -0.168 0.000) 1.823 16.806 ( -0.753 -5.345 0.000) 5.397 17.538 ( 3.126 4.860 0.000) 5.778 17.574 ( 1.483 13.413 0.000) 13.495 17.629 ( 3.911 0.893 0.000) 4.012 17.965 ( -1.194 5.035 0.000) 5.175 18.051 ( 3.501 -7.138 0.000) 7.950 18.101 ( 2.005 -3.524 0.000) 4.054 18.371 ( -3.696 2.819 0.000) 4.648 18.672 ( -4.891 -11.196 0.000) 12.218 19.774 ( 2.572 10.106 0.000) 10.428 20.010 ( 2.967 -0.187 0.000) 2.973 20.179 ( -3.120 18.252 0.000) 18.517 20.831 ( -11.989 -11.107 0.000) 16.343 27.059 ( 4.125 1.120 0.000) 4.275 27.091 ( 2.939 0.065 0.000) 2.939 27.411 ( -1.923 2.128 0.000) 2.868 27.463 ( -1.802 -0.357 0.000) 1.837 28.351 ( 0.285 2.286 0.000) 2.304 28.528 ( 3.217 -5.452 0.000) 6.330 28.535 ( -1.778 9.196 0.000) 9.366 28.892 ( -3.064 -5.436 0.000) 6.240 29.491 ( 0.592 1.942 0.000) 2.031 29.691 ( -1.300 6.874 0.000) 6.996 29.754 ( 5.524 -12.891 0.000) 14.025 30.126 ( -1.125 -14.391 0.000) 14.435 31.379 ( 2.220 16.184 0.000) 16.335 31.882 ( -1.222 -7.198 0.000) 7.301 32.232 ( -7.885 15.837 0.000) 17.692 32.502 ( -28.702 4.508 0.000) 29.054 34.189 ( 8.393 -3.925 0.000) 9.265 34.262 ( 24.484 -9.594 0.000) 26.297 34.816 ( -2.947 0.894 0.000) 3.080 34.929 ( 0.845 -4.319 0.000) 4.401 107.454 ( 0.234 -0.078 0.000) 0.247 107.457 ( 0.359 -0.188 0.000) 0.406 107.480 ( -0.186 0.117 0.000) 0.220 107.485 ( -0.128 -0.118 0.000) 0.175 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 17.869 29.699 0.000) 34.660 3.149 ( 14.537 16.493 0.000) 21.985 3.296 ( 14.177 23.882 0.000) 27.773 3.658 ( -7.695 11.716 0.000) 14.017 3.677 ( 12.223 1.909 0.000) 12.371 3.825 ( 4.552 -9.990 0.000) 10.979 4.025 ( 10.801 -4.438 0.000) 11.677 4.044 ( 7.677 6.132 0.000) 9.826 4.066 ( -7.273 -3.338 0.000) 8.003 4.217 ( -9.863 5.097 0.000) 11.102 4.311 ( 11.904 -19.119 0.000) 22.522 4.471 ( -1.284 -12.729 0.000) 12.793 4.811 ( -1.637 4.266 0.000) 4.569 5.124 ( -14.553 14.399 0.000) 20.472 5.555 ( -1.646 -14.726 0.000) 14.818 5.768 ( -10.270 -17.307 0.000) 20.124 5.848 ( 7.435 13.494 0.000) 15.407 5.927 ( 3.145 10.516 0.000) 10.976 6.073 ( 4.912 1.668 0.000) 5.188 6.208 ( -0.905 16.901 0.000) 16.925 6.355 ( 12.839 21.375 0.000) 24.935 6.882 ( 3.946 22.235 0.000) 22.582 6.925 ( -5.620 17.557 0.000) 18.434 7.140 ( -1.897 19.492 0.000) 19.584 7.402 ( -0.514 18.282 0.000) 18.289 7.487 ( 1.898 5.067 0.000) 5.410 7.814 ( 4.907 8.850 0.000) 10.119 7.880 ( -0.294 -8.098 0.000) 8.103 8.050 ( -7.785 16.228 0.000) 17.999 8.169 ( -5.173 24.187 0.000) 24.734 8.286 ( 0.216 0.794 0.000) 0.823 8.408 ( -12.517 -3.662 0.000) 13.042 8.428 ( -10.020 -3.927 0.000) 10.762 8.555 ( -10.386 17.581 0.000) 20.420 8.689 ( -8.444 -12.976 0.000) 15.481 8.739 ( -11.991 -17.036 0.000) 20.833 8.852 ( 8.389 -11.740 0.000) 14.429 9.205 ( -1.586 8.546 0.000) 8.692 9.482 ( -0.467 3.894 0.000) 3.922 9.747 ( -7.588 10.756 0.000) 13.163 9.981 ( 3.531 -11.028 0.000) 11.579 9.992 ( -0.278 0.913 0.000) 0.954 10.124 ( 6.608 13.624 0.000) 15.142 10.315 ( 5.469 -25.962 0.000) 26.531 10.449 ( -2.770 -1.753 0.000) 3.278 10.498 ( 0.565 -29.850 0.000) 29.855 10.696 ( -0.957 -4.203 0.000) 4.311 10.823 ( -5.667 -4.629 0.000) 7.317 11.087 ( 2.832 -10.958 0.000) 11.319 11.211 ( -1.335 -6.666 0.000) 6.799 11.306 ( 4.033 -17.748 0.000) 18.201 11.381 ( 0.324 -15.360 0.000) 15.364 12.317 ( 10.799 8.595 0.000) 13.802 12.547 ( 0.418 3.514 0.000) 3.539 12.713 ( 2.072 -4.235 0.000) 4.715 12.732 ( 7.220 -9.415 0.000) 11.865 13.042 ( -2.758 3.801 0.000) 4.696 13.143 ( 4.395 0.457 0.000) 4.419 13.144 ( -5.744 17.126 0.000) 18.064 13.403 ( -4.677 7.151 0.000) 8.545 13.445 ( 8.470 -2.517 0.000) 8.836 13.831 ( -1.805 -10.381 0.000) 10.537 13.837 ( 2.135 -15.246 0.000) 15.395 13.884 ( -2.963 -12.855 0.000) 13.192 14.076 ( 3.435 0.427 0.000) 3.461 14.267 ( -0.237 -9.593 0.000) 9.595 14.285 ( -5.932 2.769 0.000) 6.547 14.405 ( -4.062 -3.246 0.000) 5.200 16.584 ( 2.093 5.948 0.000) 6.305 16.627 ( -0.298 3.499 0.000) 3.511 16.731 ( 1.713 -1.574 0.000) 2.326 16.787 ( -1.068 -3.973 0.000) 4.114 17.624 ( 3.362 12.646 0.000) 13.085 17.638 ( 6.497 6.867 0.000) 9.454 17.698 ( 2.063 5.266 0.000) 5.656 17.905 ( -4.877 6.777 0.000) 8.349 18.149 ( 4.963 -8.150 0.000) 9.542 18.166 ( 5.456 -5.362 0.000) 7.650 18.283 ( -4.475 0.160 0.000) 4.478 18.532 ( -8.692 -11.541 0.000) 14.448 19.851 ( 4.965 10.943 0.000) 12.017 20.090 ( -5.568 15.388 0.000) 16.365 20.105 ( 6.662 -0.015 0.000) 6.662 20.548 ( -14.669 -4.061 0.000) 15.220 27.161 ( 5.186 1.225 0.000) 5.329 27.178 ( 5.935 0.111 0.000) 5.936 27.353 ( -3.809 2.184 0.000) 4.391 27.406 ( -3.957 -0.497 0.000) 3.988 28.370 ( 1.733 4.127 0.000) 4.476 28.485 ( -3.092 7.898 0.000) 8.481 28.610 ( 4.737 -6.171 0.000) 7.780 28.811 ( -4.702 -5.907 0.000) 7.549 29.525 ( 2.654 3.938 0.000) 4.749 29.651 ( -2.633 6.528 0.000) 7.039 29.881 ( 6.572 -14.250 0.000) 15.692 30.086 ( -2.989 -14.743 0.000) 15.042 31.458 ( 6.072 15.624 0.000) 16.763 31.867 ( 0.352 -3.336 0.000) 3.355 31.981 ( -21.552 12.865 0.000) 25.099 32.054 ( -8.765 8.428 0.000) 12.159 34.389 ( 10.486 0.139 0.000) 10.487 34.671 ( 15.111 -14.718 0.000) 21.095 34.730 ( -5.729 1.763 0.000) 5.994 34.935 ( -0.769 -8.071 0.000) 8.108 107.460 ( 0.343 -0.009 0.000) 0.343 107.466 ( 0.476 -0.295 0.000) 0.560 107.475 ( -0.319 0.105 0.000) 0.336 107.481 ( -0.262 -0.200 0.000) 0.329 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( -16.190 20.761 0.000) 26.327 3.359 ( 16.190 20.761 0.000) 26.328 3.384 ( -8.248 15.552 0.000) 17.603 3.384 ( 8.248 15.552 0.000) 17.603 3.910 ( -8.787 -0.949 0.000) 8.838 3.910 ( 8.787 -0.949 0.000) 8.838 3.947 ( -10.407 1.276 0.000) 10.485 3.947 ( 10.407 1.276 0.000) 10.485 4.196 ( -2.918 -0.548 0.000) 2.969 4.196 ( 2.918 -0.548 0.000) 2.969 4.450 ( -0.331 -7.673 0.000) 7.680 4.450 ( 0.331 -7.673 0.000) 7.680 4.880 ( -7.364 3.220 0.000) 8.037 4.880 ( 7.364 3.220 0.000) 8.037 5.582 ( -5.988 -20.602 0.000) 21.455 5.582 ( 5.988 -20.602 0.000) 21.455 5.951 ( -1.573 13.865 0.000) 13.954 5.951 ( 1.573 13.865 0.000) 13.954 6.161 ( -3.228 7.300 0.000) 7.981 6.161 ( 3.228 7.300 0.000) 7.981 6.675 ( -17.189 28.425 0.000) 33.218 6.675 ( 17.189 28.425 0.000) 33.218 7.015 ( -8.464 22.654 0.000) 24.184 7.015 ( 8.464 22.654 0.000) 24.184 7.455 ( -4.214 2.965 0.000) 5.152 7.455 ( 4.214 2.965 0.000) 5.152 7.881 ( -0.289 4.182 0.000) 4.192 7.881 ( 0.289 4.182 0.000) 4.192 8.031 ( -6.321 14.683 0.000) 15.985 8.031 ( 6.321 14.683 0.000) 15.985 8.258 ( -0.017 -6.160 0.000) 6.160 8.258 ( 0.017 -6.160 0.000) 6.160 8.397 ( -5.810 18.091 0.000) 19.001 8.397 ( 5.810 18.091 0.000) 19.001 8.610 ( -1.038 -15.081 0.000) 15.117 8.610 ( 1.038 -15.081 0.000) 15.117 9.054 ( -10.689 -11.550 0.000) 15.737 9.054 ( 10.689 -11.550 0.000) 15.737 9.583 ( -8.075 12.916 0.000) 15.232 9.583 ( 8.075 12.916 0.000) 15.232 10.003 ( -0.531 -2.806 0.000) 2.856 10.003 ( 0.531 -2.806 0.000) 2.856 10.293 ( -7.861 9.482 0.000) 12.317 10.293 ( 7.861 9.482 0.000) 12.317 10.453 ( -3.766 -36.104 0.000) 36.300 10.453 ( 3.766 -36.104 0.000) 36.300 10.727 ( -3.596 -1.831 0.000) 4.035 10.727 ( 3.596 -1.831 0.000) 4.035 11.154 ( -3.542 -8.121 0.000) 8.859 11.154 ( 3.542 -8.121 0.000) 8.859 11.365 ( -1.882 -16.934 0.000) 17.038 11.365 ( 1.882 -16.934 0.000) 17.038 12.504 ( -5.997 8.051 0.000) 10.039 12.504 ( 5.997 8.051 0.000) 10.039 12.764 ( -2.100 -4.384 0.000) 4.861 12.764 ( 2.100 -4.384 0.000) 4.861 13.032 ( -3.065 8.167 0.000) 8.723 13.032 ( 3.065 8.167 0.000) 8.723 13.287 ( -7.352 5.070 0.000) 8.931 13.287 ( 7.352 5.070 0.000) 8.931 13.660 ( -11.842 -12.351 0.000) 17.111 13.660 ( 11.842 -12.351 0.000) 17.111 13.867 ( -0.741 -14.365 0.000) 14.384 13.867 ( 0.741 -14.365 0.000) 14.384 14.166 ( -5.495 2.916 0.000) 6.221 14.166 ( 5.495 2.916 0.000) 6.221 14.317 ( -4.250 -4.915 0.000) 6.498 14.317 ( 4.250 -4.915 0.000) 6.498 16.615 ( -0.998 4.594 0.000) 4.701 16.615 ( 0.998 4.594 0.000) 4.701 16.762 ( -1.388 -2.708 0.000) 3.043 16.762 ( 1.388 -2.708 0.000) 3.043 17.691 ( -2.547 10.280 0.000) 10.591 17.691 ( 2.547 10.280 0.000) 10.591 17.780 ( -7.146 7.498 0.000) 10.358 17.780 ( 7.146 7.498 0.000) 10.358 18.210 ( -2.774 -2.859 0.000) 3.984 18.210 ( 2.774 -2.859 0.000) 3.984 18.340 ( -9.874 -11.253 0.000) 14.971 18.340 ( 9.874 -11.253 0.000) 14.971 19.967 ( -6.298 12.677 0.000) 14.155 19.967 ( 6.298 12.677 0.000) 14.155 20.283 ( -11.161 -0.621 0.000) 11.178 20.283 ( 11.161 -0.621 0.000) 11.178 27.263 ( -4.956 1.899 0.000) 5.307 27.263 ( 4.956 1.899 0.000) 5.307 27.305 ( -6.001 -0.380 0.000) 6.013 27.305 ( 6.001 -0.380 0.000) 6.013 28.420 ( -3.073 6.102 0.000) 6.832 28.420 ( 3.073 6.102 0.000) 6.832 28.711 ( -5.126 -6.294 0.000) 8.117 28.711 ( 5.126 -6.294 0.000) 8.117 29.589 ( -3.387 5.586 0.000) 6.532 29.589 ( 3.387 5.586 0.000) 6.532 30.003 ( -5.252 -14.844 0.000) 15.745 30.003 ( 5.252 -14.844 0.000) 15.745 31.641 ( -12.548 14.955 0.000) 19.522 31.641 ( 12.548 14.955 0.000) 19.522 31.915 ( -4.710 1.989 0.000) 5.113 31.915 ( 4.710 1.989 0.000) 5.113 34.585 ( -8.658 1.905 0.000) 8.865 34.585 ( 8.658 1.905 0.000) 8.865 34.875 ( -5.843 -12.426 0.000) 13.731 34.875 ( 5.843 -12.426 0.000) 13.731 107.468 ( -0.376 0.064 0.000) 0.381 107.468 ( 0.376 0.064 0.000) 0.381 107.474 ( -0.391 -0.283 0.000) 0.483 107.474 ( 0.391 -0.283 0.000) 0.483 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 0.000 -12.224 0.000) 12.224 3.125 ( 0.000 12.224 0.000) 12.224 3.382 ( 0.000 -27.875 0.000) 27.875 3.382 ( 0.000 27.875 0.000) 27.875 3.442 ( 0.000 -33.382 0.000) 33.382 3.442 ( 0.000 33.382 0.000) 33.382 3.634 ( 0.000 -3.489 0.000) 3.489 3.634 ( 0.000 3.489 0.000) 3.489 3.938 ( 0.000 -12.191 0.000) 12.191 3.938 ( 0.000 12.191 0.000) 12.191 4.418 ( 0.000 -5.607 0.000) 5.607 4.418 ( 0.000 5.607 0.000) 5.607 5.410 ( 0.000 -6.115 0.000) 6.115 5.410 ( 0.000 6.115 0.000) 6.115 5.727 ( 0.000 -8.648 0.000) 8.648 5.727 ( 0.000 8.648 0.000) 8.648 5.880 ( 0.000 -8.493 0.000) 8.493 5.880 ( 0.000 8.493 0.000) 8.493 5.919 ( 0.000 -8.570 0.000) 8.570 5.919 ( 0.000 8.570 0.000) 8.570 7.034 ( 0.000 -2.978 0.000) 2.978 7.034 ( 0.000 2.978 0.000) 2.978 7.078 ( 0.000 -45.746 0.000) 45.746 7.078 ( 0.000 45.746 0.000) 45.746 7.571 ( 0.000 -18.782 0.000) 18.782 7.571 ( 0.000 18.782 0.000) 18.782 7.694 ( 0.000 -11.585 0.000) 11.585 7.694 ( 0.000 11.585 0.000) 11.585 8.555 ( 0.000 -18.179 0.000) 18.179 8.555 ( 0.000 18.179 0.000) 18.179 8.580 ( 0.000 -2.484 0.000) 2.484 8.580 ( 0.000 2.484 0.000) 2.484 8.730 ( 0.000 -15.599 0.000) 15.599 8.730 ( 0.000 15.599 0.000) 15.599 8.907 ( 0.000 -8.035 0.000) 8.035 8.907 ( 0.000 8.035 0.000) 8.035 9.190 ( 0.000 -42.166 0.000) 42.166 9.190 ( 0.000 42.166 0.000) 42.166 9.713 ( 0.000 -16.612 0.000) 16.612 9.713 ( 0.000 16.612 0.000) 16.612 9.882 ( 0.000 -18.996 0.000) 18.996 9.882 ( 0.000 18.996 0.000) 18.996 10.081 ( 0.000 -6.533 0.000) 6.533 10.081 ( 0.000 6.533 0.000) 6.533 10.323 ( 0.000 -27.727 0.000) 27.727 10.323 ( 0.000 27.727 0.000) 27.727 10.692 ( 0.000 -16.972 0.000) 16.972 10.692 ( 0.000 16.972 0.000) 16.972 10.943 ( 0.000 -5.097 0.000) 5.097 10.943 ( 0.000 5.097 0.000) 5.097 11.145 ( 0.000 -5.153 0.000) 5.153 11.145 ( 0.000 5.153 0.000) 5.153 12.194 ( 0.000 -8.726 0.000) 8.726 12.194 ( 0.000 8.726 0.000) 8.726 12.593 ( 0.000 -4.125 0.000) 4.125 12.593 ( 0.000 4.125 0.000) 4.125 13.171 ( 0.000 -1.316 0.000) 1.316 13.171 ( 0.000 1.316 0.000) 1.316 13.471 ( 0.000 -12.527 0.000) 12.527 13.471 ( 0.000 12.527 0.000) 12.527 13.499 ( 0.000 -12.927 0.000) 12.927 13.499 ( 0.000 12.927 0.000) 12.927 13.777 ( 0.000 -13.502 0.000) 13.502 13.777 ( 0.000 13.502 0.000) 13.502 14.103 ( 0.000 -8.115 0.000) 8.115 14.103 ( 0.000 8.115 0.000) 8.115 14.456 ( 0.000 -1.010 0.000) 1.010 14.456 ( 0.000 1.010 0.000) 1.010 16.675 ( 0.000 -7.420 0.000) 7.420 16.675 ( 0.000 7.420 0.000) 7.420 16.676 ( 0.000 -0.350 0.000) 0.350 16.676 ( 0.000 0.350 0.000) 0.350 17.562 ( 0.000 -1.379 0.000) 1.379 17.562 ( 0.000 1.379 0.000) 1.379 17.823 ( 0.000 -11.623 0.000) 11.623 17.823 ( 0.000 11.623 0.000) 11.623 18.039 ( 0.000 -1.629 0.000) 1.629 18.039 ( 0.000 1.629 0.000) 1.629 18.527 ( 0.000 -7.883 0.000) 7.883 18.527 ( 0.000 7.883 0.000) 7.883 19.915 ( 0.000 -6.033 0.000) 6.033 19.915 ( 0.000 6.033 0.000) 6.033 20.608 ( 0.000 -19.040 0.000) 19.040 20.608 ( 0.000 19.040 0.000) 19.040 27.044 ( 0.000 -1.286 0.000) 1.286 27.044 ( 0.000 1.286 0.000) 1.286 27.465 ( 0.000 -1.309 0.000) 1.309 27.465 ( 0.000 1.309 0.000) 1.309 28.403 ( 0.000 -3.679 0.000) 3.679 28.403 ( 0.000 3.679 0.000) 3.679 28.762 ( 0.000 -10.114 0.000) 10.114 28.762 ( 0.000 10.114 0.000) 10.114 29.533 ( 0.000 -4.036 0.000) 4.036 29.533 ( 0.000 4.036 0.000) 4.036 29.882 ( 0.000 -10.678 0.000) 10.678 29.882 ( 0.000 10.678 0.000) 10.678 31.668 ( 0.000 -13.620 0.000) 13.620 31.668 ( 0.000 13.620 0.000) 13.620 32.672 ( 0.000 -14.656 0.000) 14.656 32.672 ( 0.000 14.656 0.000) 14.656 33.975 ( 0.000 -5.041 0.000) 5.041 33.975 ( 0.000 5.041 0.000) 5.041 34.870 ( 0.000 -1.841 0.000) 1.841 34.870 ( 0.000 1.841 0.000) 1.841 107.451 ( 0.000 -0.044 0.000) 0.044 107.451 ( 0.000 0.044 0.000) 0.044 107.484 ( 0.000 -0.113 0.000) 0.113 107.484 ( 0.000 0.113 0.000) 0.113 ======================= Grid point 30 (18/80) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 8.081 -9.670 0.000) 12.602 3.211 ( 8.081 9.670 0.000) 12.602 3.453 ( 6.637 -21.502 0.000) 22.503 3.453 ( 6.637 21.502 0.000) 22.503 3.556 ( 9.362 -27.151 0.000) 28.719 3.556 ( 9.362 27.151 0.000) 28.719 3.739 ( 10.178 -0.263 0.000) 10.182 3.739 ( 10.178 0.263 0.000) 10.182 3.993 ( 5.719 -12.958 0.000) 14.164 3.993 ( 5.719 12.958 0.000) 14.164 4.340 ( -7.296 -6.845 0.000) 10.005 4.340 ( -7.296 6.845 0.000) 10.005 5.309 ( -8.749 -16.241 0.000) 18.448 5.309 ( -8.749 16.241 0.000) 18.448 5.657 ( -7.667 -12.161 0.000) 14.377 5.657 ( -7.667 12.161 0.000) 14.377 5.949 ( 3.706 -4.586 0.000) 5.896 5.949 ( 3.706 4.586 0.000) 5.896 5.958 ( 6.572 -11.211 0.000) 12.995 5.958 ( 6.572 11.211 0.000) 12.995 7.064 ( 2.536 -1.979 0.000) 3.217 7.064 ( 2.536 1.979 0.000) 3.217 7.091 ( 1.141 -37.365 0.000) 37.383 7.091 ( 1.141 37.365 0.000) 37.383 7.631 ( 5.702 -8.356 0.000) 10.116 7.631 ( 5.702 8.356 0.000) 10.116 7.704 ( 0.921 -12.233 0.000) 12.268 7.704 ( 0.921 12.233 0.000) 12.268 8.401 ( -13.718 -23.515 0.000) 27.224 8.401 ( -13.718 23.515 0.000) 27.224 8.475 ( -8.011 -9.489 0.000) 12.419 8.475 ( -8.011 9.489 0.000) 12.419 8.653 ( -5.903 -7.781 0.000) 9.766 8.653 ( -5.903 7.781 0.000) 9.766 8.869 ( -6.776 -5.268 0.000) 8.583 8.869 ( -6.776 5.268 0.000) 8.583 9.256 ( 4.787 -44.521 0.000) 44.778 9.256 ( 4.787 44.521 0.000) 44.778 9.646 ( -3.924 -6.586 0.000) 7.667 9.646 ( -3.924 6.586 0.000) 7.667 9.854 ( -2.575 -29.021 0.000) 29.135 9.854 ( -2.575 29.021 0.000) 29.135 10.046 ( -2.802 -5.728 0.000) 6.377 10.046 ( -2.802 5.728 0.000) 6.377 10.379 ( 4.827 -23.197 0.000) 23.694 10.379 ( 4.827 23.197 0.000) 23.694 10.699 ( -0.071 -14.570 0.000) 14.570 10.699 ( -0.071 14.570 0.000) 14.570 10.978 ( 3.042 -6.325 0.000) 7.018 10.978 ( 3.042 6.325 0.000) 7.018 11.169 ( 1.425 -4.851 0.000) 5.055 11.169 ( 1.425 4.851 0.000) 5.055 12.282 ( 8.816 -9.591 0.000) 13.028 12.282 ( 8.816 9.591 0.000) 13.028 12.597 ( 0.648 -4.121 0.000) 4.171 12.597 ( 0.648 4.121 0.000) 4.171 13.144 ( -2.439 -1.285 0.000) 2.757 13.144 ( -2.439 1.285 0.000) 2.757 13.498 ( 2.518 -12.288 0.000) 12.544 13.498 ( 2.518 12.288 0.000) 12.544 13.538 ( 2.732 -13.456 0.000) 13.731 13.538 ( 2.732 13.456 0.000) 13.731 13.718 ( -5.649 -14.432 0.000) 15.498 13.718 ( -5.649 14.432 0.000) 15.498 14.101 ( 0.347 -6.819 0.000) 6.828 14.101 ( 0.347 6.819 0.000) 6.828 14.426 ( -2.957 -1.871 0.000) 3.499 14.426 ( -2.957 1.871 0.000) 3.499 16.679 ( 0.377 -1.497 0.000) 1.544 16.679 ( 0.377 1.497 0.000) 1.544 16.682 ( 0.645 -6.651 0.000) 6.683 16.682 ( 0.645 6.651 0.000) 6.683 17.615 ( 4.919 -2.414 0.000) 5.479 17.615 ( 4.919 2.414 0.000) 5.479 17.838 ( 1.476 -12.098 0.000) 12.188 17.838 ( 1.476 12.098 0.000) 12.188 18.050 ( 1.018 -3.090 0.000) 3.253 18.050 ( 1.018 3.090 0.000) 3.253 18.477 ( -4.881 -7.665 0.000) 9.087 18.477 ( -4.881 7.665 0.000) 9.087 19.944 ( 2.934 -6.123 0.000) 6.789 19.944 ( 2.934 6.123 0.000) 6.789 20.541 ( -6.350 -16.741 0.000) 17.905 20.541 ( -6.350 16.741 0.000) 17.905 27.081 ( 3.561 -0.922 0.000) 3.678 27.081 ( 3.561 0.922 0.000) 3.678 27.447 ( -1.874 -1.324 0.000) 2.294 27.447 ( -1.874 1.324 0.000) 2.294 28.423 ( 1.952 -4.615 0.000) 5.011 28.423 ( 1.952 4.615 0.000) 5.011 28.733 ( -2.726 -9.609 0.000) 9.988 28.733 ( -2.726 9.609 0.000) 9.988 29.566 ( 3.130 -5.934 0.000) 6.709 29.566 ( 3.130 5.934 0.000) 6.709 29.869 ( -1.330 -10.741 0.000) 10.823 29.869 ( -1.330 10.741 0.000) 10.823 31.677 ( 1.106 -12.725 0.000) 12.773 31.677 ( 1.106 12.725 0.000) 12.773 32.471 ( -16.580 -7.142 0.000) 18.052 32.471 ( -16.580 7.142 0.000) 18.052 34.156 ( 14.707 -1.284 0.000) 14.763 34.156 ( 14.707 1.284 0.000) 14.763 34.855 ( -1.582 -2.872 0.000) 3.279 34.855 ( -1.582 2.872 0.000) 3.279 107.454 ( 0.277 -0.057 0.000) 0.282 107.454 ( 0.277 0.057 0.000) 0.282 107.482 ( -0.174 -0.128 0.000) 0.216 107.482 ( -0.174 0.128 0.000) 0.216 ======================= Grid point 32 (19/80) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.418 ( 11.387 -2.731 0.000) 11.710 3.418 ( 11.387 2.731 0.000) 11.710 3.631 ( 10.777 -9.105 0.000) 14.108 3.631 ( 10.777 9.105 0.000) 14.108 3.691 ( 1.730 -12.142 0.000) 12.265 3.691 ( 1.730 12.142 0.000) 12.265 4.009 ( 15.208 -6.369 0.000) 16.488 4.009 ( 15.208 6.369 0.000) 16.488 4.105 ( -6.339 -12.466 0.000) 13.985 4.105 ( -6.339 12.466 0.000) 13.985 4.215 ( 5.280 -5.928 0.000) 7.939 4.215 ( 5.280 5.928 0.000) 7.939 5.127 ( -7.000 -21.723 0.000) 22.823 5.127 ( -7.000 21.723 0.000) 22.823 5.426 ( -14.371 -15.752 0.000) 21.322 5.426 ( -14.371 15.752 0.000) 21.322 6.059 ( 6.287 -3.038 0.000) 6.982 6.059 ( 6.287 3.038 0.000) 6.982 6.096 ( 5.983 -10.633 0.000) 12.201 6.096 ( 5.983 10.633 0.000) 12.201 7.109 ( 1.319 -2.418 0.000) 2.754 7.109 ( 1.319 2.418 0.000) 2.754 7.109 ( 0.337 -23.338 0.000) 23.340 7.109 ( 0.337 23.338 0.000) 23.340 7.729 ( 1.804 -15.708 0.000) 15.811 7.729 ( 1.804 15.708 0.000) 15.811 7.776 ( 7.213 -16.443 0.000) 17.956 7.776 ( 7.213 16.443 0.000) 17.956 8.127 ( -9.802 -19.900 0.000) 22.183 8.127 ( -9.802 19.900 0.000) 22.183 8.335 ( -5.213 -14.524 0.000) 15.431 8.335 ( -5.213 14.524 0.000) 15.431 8.520 ( -6.770 -2.292 0.000) 7.148 8.520 ( -6.770 2.292 0.000) 7.148 8.610 ( -16.288 -17.559 0.000) 23.950 8.610 ( -16.288 17.559 0.000) 23.950 9.351 ( 4.769 -44.780 0.000) 45.033 9.351 ( 4.769 44.780 0.000) 45.033 9.572 ( -4.825 -22.993 0.000) 23.494 9.572 ( -4.825 22.993 0.000) 23.494 9.840 ( 2.352 -20.019 0.000) 20.156 9.840 ( 2.352 20.019 0.000) 20.156 9.987 ( -3.043 -7.591 0.000) 8.178 9.987 ( -3.043 7.591 0.000) 8.178 10.488 ( 5.571 -17.934 0.000) 18.780 10.488 ( 5.571 17.934 0.000) 18.780 10.671 ( -2.761 -11.983 0.000) 12.297 10.671 ( -2.761 11.983 0.000) 12.297 11.045 ( 3.372 -7.114 0.000) 7.872 11.045 ( 3.372 7.114 0.000) 7.872 11.167 ( -1.750 -4.199 0.000) 4.549 11.167 ( -1.750 4.199 0.000) 4.549 12.514 ( 12.080 -10.840 0.000) 16.231 12.514 ( 12.080 10.840 0.000) 16.231 12.627 ( 2.172 -4.266 0.000) 4.787 12.627 ( 2.172 4.266 0.000) 4.787 13.105 ( 0.104 -2.650 0.000) 2.652 13.105 ( 0.104 2.650 0.000) 2.652 13.481 ( -10.885 -11.474 0.000) 15.816 13.481 ( -10.885 11.474 0.000) 15.816 13.561 ( 3.388 -11.152 0.000) 11.655 13.561 ( 3.388 11.152 0.000) 11.655 13.638 ( -0.235 -4.523 0.000) 4.529 13.638 ( -0.235 4.523 0.000) 4.529 14.138 ( 3.579 -4.438 0.000) 5.701 14.138 ( 3.579 4.438 0.000) 5.701 14.344 ( -4.961 -2.953 0.000) 5.774 14.344 ( -4.961 2.953 0.000) 5.774 16.690 ( 0.603 -2.583 0.000) 2.653 16.690 ( 0.603 2.583 0.000) 2.653 16.696 ( 0.553 -5.027 0.000) 5.058 16.696 ( 0.553 5.027 0.000) 5.058 17.737 ( 6.544 -1.991 0.000) 6.840 17.737 ( 6.544 1.991 0.000) 6.840 17.872 ( 1.148 -10.817 0.000) 10.878 17.872 ( 1.148 10.817 0.000) 10.878 18.083 ( 2.758 -4.084 0.000) 4.928 18.083 ( 2.758 4.084 0.000) 4.928 18.343 ( -7.956 -6.456 0.000) 10.246 18.343 ( -7.956 6.456 0.000) 10.246 20.035 ( 6.114 -6.647 0.000) 9.032 20.035 ( 6.114 6.647 0.000) 9.032 20.376 ( -9.446 -12.049 0.000) 15.310 20.376 ( -9.446 12.049 0.000) 15.310 27.177 ( 5.599 -0.382 0.000) 5.612 27.177 ( 5.599 0.382 0.000) 5.612 27.388 ( -3.916 -1.307 0.000) 4.128 27.388 ( -3.916 1.307 0.000) 4.128 28.480 ( 3.651 -6.316 0.000) 7.295 28.480 ( 3.651 6.316 0.000) 7.295 28.659 ( -4.443 -8.659 0.000) 9.732 28.659 ( -4.443 8.659 0.000) 9.732 29.649 ( 4.840 -8.584 0.000) 9.855 29.649 ( 4.840 8.584 0.000) 9.855 29.825 ( -3.038 -10.733 0.000) 11.155 29.825 ( -3.038 10.733 0.000) 11.155 31.726 ( 4.278 -10.359 0.000) 11.208 31.726 ( 4.278 10.359 0.000) 11.208 32.127 ( -15.899 -1.645 0.000) 15.984 32.127 ( -15.899 1.645 0.000) 15.984 34.454 ( 13.482 -6.732 0.000) 15.069 34.454 ( 13.482 6.732 0.000) 15.069 34.799 ( -4.205 -5.117 0.000) 6.623 34.799 ( -4.205 5.117 0.000) 6.623 107.461 ( 0.417 -0.128 0.000) 0.436 107.461 ( 0.417 0.128 0.000) 0.436 107.477 ( -0.321 -0.158 0.000) 0.357 107.477 ( -0.321 0.158 0.000) 0.357 ======================= Grid point 34 (20/80) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( -7.777 -3.631 0.000) 8.583 3.621 ( -7.777 3.631 0.000) 8.583 3.621 ( 7.777 -3.631 0.000) 8.583 3.621 ( 7.777 3.631 0.000) 8.583 3.872 ( -12.741 -7.749 0.000) 14.912 3.872 ( 12.741 -7.749 0.000) 14.912 3.872 ( -12.741 7.749 0.000) 14.912 3.872 ( 12.741 7.749 0.000) 14.912 4.261 ( -6.778 -7.284 0.000) 9.949 4.261 ( 6.778 -7.284 0.000) 9.949 4.261 ( -6.778 7.284 0.000) 9.949 4.261 ( 6.778 7.284 0.000) 9.949 5.149 ( -10.212 -19.657 0.000) 22.151 5.149 ( 10.212 -19.657 0.000) 22.151 5.149 ( -10.212 19.657 0.000) 22.151 5.149 ( 10.212 19.657 0.000) 22.151 6.149 ( -1.381 -5.732 0.000) 5.896 6.149 ( 1.381 -5.732 0.000) 5.896 6.149 ( -1.381 5.732 0.000) 5.896 6.149 ( 1.381 5.732 0.000) 5.896 7.113 ( -0.345 -10.302 0.000) 10.308 7.113 ( 0.345 -10.302 0.000) 10.308 7.113 ( -0.345 10.302 0.000) 10.308 7.113 ( 0.345 10.302 0.000) 10.308 7.790 ( -4.091 -22.931 0.000) 23.293 7.790 ( 4.091 -22.931 0.000) 23.293 7.790 ( -4.091 22.931 0.000) 23.293 7.790 ( 4.091 22.931 0.000) 23.293 8.175 ( -11.689 -8.738 0.000) 14.594 8.175 ( 11.689 -8.738 0.000) 14.594 8.175 ( -11.689 8.738 0.000) 14.594 8.175 ( 11.689 8.738 0.000) 14.594 8.423 ( -0.829 -6.401 0.000) 6.455 8.423 ( 0.829 -6.401 0.000) 6.455 8.423 ( -0.829 6.401 0.000) 6.455 8.423 ( 0.829 6.401 0.000) 6.455 9.457 ( -5.820 -39.586 0.000) 40.012 9.457 ( 5.820 -39.586 0.000) 40.012 9.457 ( -5.820 39.586 0.000) 40.012 9.457 ( 5.820 39.586 0.000) 40.012 9.916 ( -4.074 -11.935 0.000) 12.611 9.916 ( 4.074 -11.935 0.000) 12.611 9.916 ( -4.074 11.935 0.000) 12.611 9.916 ( 4.074 11.935 0.000) 12.611 10.594 ( -4.744 -13.527 0.000) 14.334 10.594 ( 4.744 -13.527 0.000) 14.334 10.594 ( -4.744 13.527 0.000) 14.334 10.594 ( 4.744 13.527 0.000) 14.334 11.112 ( -3.277 -5.919 0.000) 6.765 11.112 ( 3.277 -5.919 0.000) 6.765 11.112 ( -3.277 5.919 0.000) 6.765 11.112 ( 3.277 5.919 0.000) 6.765 12.654 ( -1.071 -6.534 0.000) 6.621 12.654 ( 1.071 -6.534 0.000) 6.621 12.654 ( -1.071 6.534 0.000) 6.621 12.654 ( 1.071 6.534 0.000) 6.621 13.225 ( -11.800 -10.023 0.000) 15.482 13.225 ( 11.800 -10.023 0.000) 15.482 13.225 ( -11.800 10.023 0.000) 15.482 13.225 ( 11.800 10.023 0.000) 15.482 13.619 ( -2.118 -8.689 0.000) 8.943 13.619 ( 2.118 -8.689 0.000) 8.943 13.619 ( -2.118 8.689 0.000) 8.943 13.619 ( 2.118 8.689 0.000) 8.943 14.235 ( -5.555 -3.612 0.000) 6.626 14.235 ( 5.555 -3.612 0.000) 6.626 14.235 ( -5.555 3.612 0.000) 6.626 14.235 ( 5.555 3.612 0.000) 6.626 16.699 ( -0.212 -3.599 0.000) 3.605 16.699 ( 0.212 -3.599 0.000) 3.605 16.699 ( -0.212 3.599 0.000) 3.605 16.699 ( 0.212 3.599 0.000) 3.605 17.848 ( -3.761 -2.814 0.000) 4.697 17.848 ( 3.761 -2.814 0.000) 4.697 17.848 ( -3.761 2.814 0.000) 4.697 17.848 ( 3.761 2.814 0.000) 4.697 18.183 ( -7.160 -2.534 0.000) 7.595 18.183 ( -7.160 2.534 0.000) 7.595 18.183 ( 7.160 -2.534 0.000) 7.595 18.183 ( 7.160 2.534 0.000) 7.595 20.187 ( -8.845 -8.363 0.000) 12.172 20.187 ( 8.845 -8.363 0.000) 12.172 20.187 ( -8.845 8.363 0.000) 12.172 20.187 ( 8.845 8.363 0.000) 12.172 27.292 ( -5.521 -0.978 0.000) 5.607 27.292 ( -5.521 0.978 0.000) 5.607 27.292 ( 5.521 -0.978 0.000) 5.607 27.292 ( 5.521 0.978 0.000) 5.607 28.565 ( -4.671 -7.682 0.000) 8.991 28.565 ( 4.671 -7.682 0.000) 8.991 28.565 ( -4.671 7.682 0.000) 8.991 28.565 ( 4.671 7.682 0.000) 8.991 29.747 ( -4.603 -10.172 0.000) 11.165 29.747 ( 4.603 -10.172 0.000) 11.165 29.747 ( -4.603 10.172 0.000) 11.165 29.747 ( 4.603 10.172 0.000) 11.165 31.866 ( -9.889 -6.909 0.000) 12.064 31.866 ( 9.889 -6.909 0.000) 12.064 31.866 ( -9.889 6.909 0.000) 12.064 31.866 ( 9.889 6.909 0.000) 12.064 34.675 ( -8.421 -7.145 0.000) 11.044 34.675 ( 8.421 -7.145 0.000) 11.044 34.675 ( -8.421 7.145 0.000) 11.044 34.675 ( 8.421 7.145 0.000) 11.044 107.470 ( -0.414 -0.167 0.000) 0.446 107.470 ( -0.414 0.167 0.000) 0.446 107.470 ( 0.414 -0.167 0.000) 0.446 107.470 ( 0.414 0.167 0.000) 0.446 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 0.000 40.888) 40.888 0.933 ( 0.000 0.000 46.396) 46.396 1.431 ( 0.000 0.000 71.330) 71.330 2.006 ( 0.000 0.000 4.844) 4.844 3.397 ( 0.000 0.000 -4.152) 4.152 3.594 ( 0.000 0.000 -1.520) 1.520 3.960 ( 0.000 0.000 -17.233) 17.233 4.074 ( 0.000 0.000 -3.092) 3.092 4.195 ( 0.000 0.000 5.809) 5.809 4.254 ( 0.000 0.000 3.387) 3.387 4.423 ( 0.000 0.000 -0.206) 0.206 4.500 ( 0.000 0.000 -0.662) 0.662 4.721 ( 0.000 0.000 -3.491) 3.491 4.799 ( 0.000 0.000 -7.724) 7.724 4.887 ( 0.000 0.000 -0.069) 0.069 5.010 ( 0.000 0.000 7.611) 7.611 5.013 ( 0.000 0.000 -3.387) 3.387 5.406 ( 0.000 0.000 4.792) 4.792 5.487 ( 0.000 0.000 2.923) 2.923 5.836 ( 0.000 0.000 0.516) 0.516 6.197 ( 0.000 0.000 -28.827) 28.827 6.463 ( 0.000 0.000 -5.822) 5.822 6.718 ( 0.000 0.000 -8.124) 8.124 6.736 ( 0.000 0.000 18.052) 18.052 6.957 ( 0.000 0.000 -8.636) 8.636 7.322 ( 0.000 0.000 4.294) 4.294 7.363 ( 0.000 0.000 6.291) 6.291 7.647 ( 0.000 0.000 3.016) 3.016 7.826 ( 0.000 0.000 3.787) 3.787 7.847 ( 0.000 0.000 -5.097) 5.097 8.390 ( 0.000 0.000 -2.046) 2.046 8.503 ( 0.000 0.000 2.079) 2.079 8.582 ( 0.000 0.000 -1.130) 1.130 8.619 ( 0.000 0.000 3.447) 3.447 9.119 ( 0.000 0.000 1.469) 1.469 9.177 ( 0.000 0.000 3.060) 3.060 9.320 ( 0.000 0.000 7.915) 7.915 9.558 ( 0.000 0.000 -5.106) 5.106 9.652 ( 0.000 0.000 -10.697) 10.697 9.798 ( 0.000 0.000 4.131) 4.131 9.889 ( 0.000 0.000 -5.429) 5.429 10.200 ( 0.000 0.000 10.944) 10.944 10.239 ( 0.000 0.000 -2.717) 2.717 10.458 ( 0.000 0.000 -3.574) 3.574 10.574 ( 0.000 0.000 -11.069) 11.069 11.183 ( 0.000 0.000 9.166) 9.166 11.406 ( 0.000 0.000 2.327) 2.327 11.482 ( 0.000 0.000 -4.687) 4.687 11.629 ( 0.000 0.000 -0.359) 0.359 11.846 ( 0.000 0.000 1.626) 1.626 12.024 ( 0.000 0.000 10.160) 10.160 12.048 ( 0.000 0.000 -0.876) 0.876 12.219 ( 0.000 0.000 0.589) 0.589 12.273 ( 0.000 0.000 -0.155) 0.155 12.346 ( 0.000 0.000 -6.502) 6.502 12.811 ( 0.000 0.000 3.323) 3.323 12.838 ( 0.000 0.000 -0.663) 0.663 12.923 ( 0.000 0.000 1.690) 1.690 12.956 ( 0.000 0.000 -0.706) 0.706 13.019 ( 0.000 0.000 -0.619) 0.619 13.293 ( 0.000 0.000 11.769) 11.769 13.736 ( 0.000 0.000 -6.190) 6.190 14.073 ( 0.000 0.000 -9.489) 9.489 14.412 ( 0.000 0.000 1.032) 1.032 14.519 ( 0.000 0.000 -2.891) 2.891 14.639 ( 0.000 0.000 6.037) 6.037 14.728 ( 0.000 0.000 -8.407) 8.407 15.502 ( 0.000 0.000 -13.411) 13.411 16.360 ( 0.000 0.000 12.114) 12.114 16.625 ( 0.000 0.000 0.456) 0.456 16.773 ( 0.000 0.000 -0.568) 0.568 16.815 ( 0.000 0.000 2.237) 2.237 17.190 ( 0.000 0.000 -3.376) 3.376 17.253 ( 0.000 0.000 -4.933) 4.933 17.438 ( 0.000 0.000 4.529) 4.529 17.623 ( 0.000 0.000 0.224) 0.224 17.759 ( 0.000 0.000 -0.700) 0.700 17.925 ( 0.000 0.000 -3.277) 3.277 18.458 ( 0.000 0.000 8.136) 8.136 19.243 ( 0.000 0.000 -5.978) 5.978 19.353 ( 0.000 0.000 -7.583) 7.583 19.459 ( 0.000 0.000 -4.927) 4.927 19.647 ( 0.000 0.000 6.769) 6.769 19.695 ( 0.000 0.000 5.753) 5.753 27.052 ( 0.000 0.000 2.229) 2.229 27.358 ( 0.000 0.000 2.488) 2.488 27.365 ( 0.000 0.000 -2.626) 2.626 27.570 ( 0.000 0.000 7.958) 7.958 28.248 ( 0.000 0.000 -1.281) 1.281 28.717 ( 0.000 0.000 2.050) 2.050 28.931 ( 0.000 0.000 1.566) 1.566 28.931 ( 0.000 0.000 -4.001) 4.001 29.514 ( 0.000 0.000 4.760) 4.760 30.633 ( 0.000 0.000 0.704) 0.704 30.720 ( 0.000 0.000 1.811) 1.811 30.734 ( 0.000 0.000 -6.232) 6.232 30.831 ( 0.000 0.000 -1.363) 1.363 31.007 ( 0.000 0.000 -1.561) 1.561 31.837 ( 0.000 0.000 0.341) 0.341 31.988 ( 0.000 0.000 -1.586) 1.586 33.923 ( 0.000 0.000 7.227) 7.227 34.394 ( 0.000 0.000 1.325) 1.325 34.892 ( 0.000 0.000 -1.069) 1.069 35.342 ( 0.000 0.000 -5.792) 5.792 107.447 ( 0.000 0.000 -0.545) 0.545 107.459 ( 0.000 0.000 -0.211) 0.211 107.496 ( 0.000 0.000 1.449) 1.449 107.609 ( 0.000 0.000 -0.296) 0.296 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 23.738 0.000 31.258) 39.250 1.224 ( 32.272 0.000 26.407) 41.699 2.155 ( 13.608 0.000 3.902) 14.157 2.181 ( 57.442 0.000 44.512) 72.670 3.464 ( 3.539 0.000 -9.385) 10.030 3.469 ( -10.115 0.000 0.127) 10.116 3.959 ( -2.037 0.000 -12.101) 12.271 3.970 ( -18.536 0.000 3.684) 18.899 4.188 ( 6.887 0.000 -2.377) 7.286 4.189 ( -5.054 0.000 2.305) 5.555 4.296 ( -8.782 0.000 -0.457) 8.794 4.520 ( -9.433 0.000 4.584) 10.488 4.565 ( 7.188 0.000 -0.955) 7.251 4.839 ( -4.307 0.000 0.894) 4.399 4.929 ( 5.914 0.000 -7.262) 9.365 5.052 ( 3.734 0.000 7.157) 8.073 5.194 ( 10.102 0.000 -8.504) 13.205 5.320 ( -6.387 0.000 6.706) 9.261 5.539 ( 4.804 0.000 2.353) 5.350 5.873 ( 3.203 0.000 -0.697) 3.278 6.166 ( -2.116 0.000 -25.161) 25.250 6.408 ( -1.949 0.000 -8.813) 9.026 6.617 ( -12.367 0.000 17.473) 21.407 6.696 ( -17.683 0.000 -5.021) 18.382 6.842 ( 6.869 0.000 -3.546) 7.730 7.324 ( 2.444 0.000 6.927) 7.345 7.561 ( 15.223 0.000 1.243) 15.274 7.598 ( -3.427 0.000 4.865) 5.951 7.900 ( 5.656 0.000 -5.139) 7.642 7.925 ( 6.866 0.000 7.763) 10.363 8.253 ( -8.673 0.000 9.227) 12.663 8.471 ( -3.279 0.000 1.532) 3.619 8.499 ( -6.616 0.000 2.201) 6.973 8.630 ( -0.989 0.000 0.802) 1.274 9.084 ( -4.729 0.000 1.612) 4.996 9.102 ( -2.703 0.000 1.296) 2.998 9.163 ( -12.914 0.000 10.275) 16.503 9.442 ( -23.140 0.000 2.355) 23.260 9.548 ( -9.195 0.000 -1.295) 9.286 9.667 ( 8.052 0.000 -4.128) 9.049 9.906 ( 1.398 0.000 -5.151) 5.337 10.005 ( -12.764 0.000 -1.316) 12.832 10.243 ( -2.275 0.000 -5.602) 6.046 10.379 ( -1.143 0.000 7.001) 7.093 10.855 ( 16.473 0.000 -1.913) 16.584 11.088 ( 3.426 0.000 10.421) 10.970 11.350 ( -1.517 0.000 12.907) 12.996 11.412 ( 0.575 0.000 2.295) 2.366 11.589 ( -3.303 0.000 0.627) 3.362 11.887 ( 3.384 0.000 0.283) 3.396 11.985 ( -1.900 0.000 11.542) 11.697 12.051 ( 0.253 0.000 -1.184) 1.210 12.189 ( -2.543 0.000 0.815) 2.670 12.257 ( -1.627 0.000 -0.247) 1.646 12.690 ( 10.491 0.000 -24.480) 26.633 12.821 ( -1.405 0.000 -1.127) 1.802 12.857 ( 3.611 0.000 -5.076) 6.229 12.871 ( -3.382 0.000 -0.450) 3.412 12.992 ( 2.490 0.000 1.106) 2.725 13.050 ( 2.103 0.000 0.669) 2.207 13.579 ( 17.558 0.000 -6.085) 18.583 13.703 ( -2.221 0.000 -5.785) 6.196 14.046 ( -3.199 0.000 -11.619) 12.052 14.263 ( -14.511 0.000 2.124) 14.666 14.367 ( -3.408 0.000 -0.380) 3.429 14.710 ( -0.451 0.000 0.404) 0.605 14.815 ( 6.807 0.000 -3.624) 7.712 15.168 ( -16.146 0.000 8.434) 18.216 16.292 ( 0.569 0.000 6.833) 6.856 16.619 ( -3.864 0.000 3.207) 5.021 16.700 ( 4.382 0.000 0.592) 4.422 16.867 ( 5.097 0.000 2.100) 5.513 17.129 ( -5.653 0.000 -2.842) 6.327 17.272 ( 1.757 0.000 -4.412) 4.749 17.434 ( -0.501 0.000 3.868) 3.900 17.570 ( -5.081 0.000 0.394) 5.096 18.001 ( 6.489 0.000 -3.897) 7.569 18.245 ( 9.241 0.000 -8.620) 12.638 18.641 ( 18.759 0.000 -8.947) 20.783 19.247 ( 0.461 0.000 -5.874) 5.892 19.343 ( -0.962 0.000 -7.275) 7.338 19.486 ( 0.363 0.000 -3.419) 3.438 19.649 ( 0.420 0.000 6.790) 6.803 19.703 ( 0.552 0.000 5.363) 5.392 27.073 ( 1.919 0.000 2.470) 3.128 27.295 ( -3.297 0.000 6.020) 6.864 27.338 ( -2.181 0.000 3.086) 3.778 27.547 ( -1.785 0.000 8.472) 8.658 28.265 ( 1.599 0.000 -0.793) 1.785 28.635 ( -11.668 0.000 9.921) 15.316 28.770 ( 0.547 0.000 3.163) 3.210 29.030 ( 0.482 0.000 -3.354) 3.389 29.512 ( 0.181 0.000 5.530) 5.533 30.167 ( -39.693 0.000 43.107) 58.598 30.638 ( 0.530 0.000 0.772) 0.936 30.714 ( -0.606 0.000 1.729) 1.832 30.841 ( 0.985 0.000 -1.365) 1.683 30.993 ( -1.309 0.000 -1.537) 2.018 31.009 ( -3.087 0.000 1.373) 3.379 31.885 ( -10.112 0.000 -2.280) 10.366 34.430 ( 3.649 0.000 1.360) 3.894 34.819 ( 5.259 0.000 -5.621) 7.697 34.925 ( 19.031 0.000 -15.570) 24.589 35.560 ( 12.922 0.000 -20.816) 24.500 107.449 ( 0.161 0.000 -0.680) 0.699 107.462 ( 0.157 0.000 -0.501) 0.525 107.497 ( 0.109 0.000 1.387) 1.391 107.559 ( -2.536 0.000 2.348) 3.456 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 34.712 0.000 9.462) 35.978 1.938 ( 36.205 0.000 13.843) 38.761 2.473 ( 15.468 0.000 2.320) 15.640 3.078 ( -8.365 0.000 0.657) 8.390 3.246 ( -11.358 0.000 2.781) 11.694 3.492 ( -27.017 0.000 5.631) 27.598 3.539 ( 35.098 0.000 0.133) 35.098 3.965 ( 5.326 0.000 9.779) 11.135 4.178 ( 1.009 0.000 -3.009) 3.173 4.212 ( 9.090 0.000 -0.777) 9.123 4.345 ( 3.035 0.000 -1.347) 3.321 4.456 ( 3.078 0.000 8.844) 9.364 4.677 ( 4.003 0.000 -2.177) 4.557 4.718 ( -7.730 0.000 2.437) 8.105 4.898 ( -7.633 0.000 -3.505) 8.400 5.145 ( 5.434 0.000 6.261) 8.290 5.260 ( 0.086 0.000 5.799) 5.799 5.321 ( -0.150 0.000 -12.319) 12.320 5.646 ( 4.653 0.000 1.358) 4.847 5.956 ( 5.268 0.000 -2.661) 5.902 6.064 ( -17.310 0.000 0.708) 17.324 6.286 ( -7.813 0.000 -3.324) 8.490 6.357 ( -15.203 0.000 -3.863) 15.686 6.395 ( -1.698 0.000 -12.936) 13.047 6.970 ( 6.909 0.000 0.568) 6.932 7.316 ( -7.261 0.000 -0.998) 7.329 7.674 ( 12.302 0.000 8.081) 14.719 7.823 ( 11.059 0.000 0.734) 11.084 8.053 ( 2.913 0.000 10.633) 11.025 8.067 ( 8.457 0.000 -5.377) 10.021 8.130 ( -1.324 0.000 7.920) 8.030 8.343 ( -7.015 0.000 4.653) 8.418 8.373 ( -6.132 0.000 0.219) 6.136 8.554 ( -6.457 0.000 0.069) 6.457 8.903 ( -10.957 0.000 10.718) 15.327 9.021 ( -16.971 0.000 5.945) 17.982 9.022 ( -0.896 0.000 1.027) 1.363 9.059 ( -1.896 0.000 0.729) 2.031 9.439 ( -0.436 0.000 -1.609) 1.667 9.759 ( -12.074 0.000 -3.976) 12.712 9.816 ( 6.125 0.000 -3.951) 7.289 9.927 ( 0.280 0.000 -4.653) 4.661 10.227 ( -0.189 0.000 -4.799) 4.802 10.304 ( -3.921 0.000 4.222) 5.762 11.175 ( 9.064 0.000 2.243) 9.338 11.240 ( 10.112 0.000 5.047) 11.301 11.356 ( 4.404 0.000 6.010) 7.451 11.430 ( 1.257 0.000 2.199) 2.533 11.520 ( -3.241 0.000 1.583) 3.607 11.882 ( -8.980 0.000 9.824) 13.309 11.958 ( 3.383 0.000 -1.480) 3.692 12.052 ( -0.580 0.000 -2.514) 2.580 12.143 ( -1.231 0.000 1.793) 2.175 12.211 ( -2.778 0.000 -0.068) 2.779 12.794 ( -1.100 0.000 -1.627) 1.964 12.812 ( -2.262 0.000 -1.369) 2.644 12.850 ( 6.765 0.000 -7.620) 10.190 12.928 ( 2.927 0.000 -8.746) 9.222 13.043 ( 2.337 0.000 2.139) 3.168 13.081 ( 0.751 0.000 1.982) 2.120 13.673 ( 0.022 0.000 -7.678) 7.678 13.798 ( 2.659 0.000 3.506) 4.400 13.940 ( -4.204 0.000 -14.207) 14.816 14.092 ( -2.857 0.000 -13.339) 13.642 14.315 ( -0.639 0.000 -0.214) 0.674 14.592 ( -10.171 0.000 -3.367) 10.714 14.930 ( 4.554 0.000 0.887) 4.639 15.021 ( -1.525 0.000 5.147) 5.368 16.360 ( 4.958 0.000 2.212) 5.429 16.549 ( -3.657 0.000 1.160) 3.836 16.804 ( 5.449 0.000 0.379) 5.462 17.010 ( 8.800 0.000 1.707) 8.964 17.014 ( -5.360 0.000 -1.155) 5.483 17.310 ( 1.096 0.000 -2.768) 2.977 17.408 ( -3.258 0.000 1.947) 3.796 17.443 ( -5.339 0.000 0.841) 5.405 18.122 ( 5.242 0.000 -3.401) 6.249 18.278 ( -1.784 0.000 -0.019) 1.784 18.973 ( 14.174 0.000 -6.186) 15.466 19.261 ( 0.943 0.000 -5.699) 5.776 19.317 ( -1.555 0.000 -6.473) 6.657 19.421 ( -6.722 0.000 0.546) 6.744 19.667 ( 1.275 0.000 6.204) 6.334 19.708 ( -0.218 0.000 5.072) 5.077 27.125 ( 3.197 0.000 3.151) 4.489 27.271 ( -2.930 0.000 3.383) 4.475 27.311 ( 3.103 0.000 7.798) 8.393 27.497 ( -3.417 0.000 7.399) 8.150 28.306 ( 2.419 0.000 0.890) 2.578 28.452 ( -6.180 0.000 8.999) 10.917 28.819 ( 3.315 0.000 0.234) 3.323 28.983 ( -4.109 0.000 -1.225) 4.288 29.539 ( 2.657 0.000 7.190) 7.665 29.745 ( -9.852 0.000 20.833) 23.045 30.653 ( 0.944 0.000 0.961) 1.347 30.697 ( -1.020 0.000 1.514) 1.825 30.870 ( 1.822 0.000 -1.378) 2.284 30.958 ( -2.145 0.000 -1.478) 2.605 31.102 ( 8.934 0.000 -5.587) 10.537 31.624 ( -14.701 0.000 -4.283) 15.312 34.527 ( 5.690 0.000 1.550) 5.897 34.757 ( -4.866 0.000 0.618) 4.905 35.258 ( 13.411 0.000 -9.265) 16.301 35.644 ( -3.249 0.000 -14.645) 15.001 107.453 ( 0.222 0.000 -0.661) 0.698 107.462 ( -0.138 0.000 -0.600) 0.615 107.502 ( 0.339 0.000 1.247) 1.292 107.526 ( -1.027 0.000 1.807) 2.078 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -36.046 0.000 -2.965) 36.168 2.481 ( 36.046 0.000 -2.965) 36.168 2.554 ( -17.514 0.000 4.865) 18.177 2.554 ( 17.514 0.000 4.865) 18.177 3.091 ( -2.929 0.000 6.161) 6.822 3.091 ( 2.929 0.000 6.161) 6.822 4.003 ( -5.000 0.000 -0.353) 5.012 4.003 ( 5.000 0.000 -0.353) 5.012 4.284 ( -7.347 0.000 -3.106) 7.976 4.284 ( 7.347 0.000 -3.106) 7.976 4.525 ( -10.767 0.000 3.242) 11.244 4.525 ( 10.767 0.000 3.242) 11.244 4.761 ( -5.166 0.000 -1.008) 5.263 4.761 ( 5.166 0.000 -1.008) 5.263 4.912 ( -40.042 0.000 8.584) 40.952 4.912 ( 40.042 0.000 8.584) 40.952 5.238 ( -3.076 0.000 5.036) 5.902 5.238 ( 3.076 0.000 5.036) 5.902 5.730 ( -6.442 0.000 6.335) 9.035 5.730 ( 6.442 0.000 6.335) 9.035 6.104 ( -9.851 0.000 -3.603) 10.489 6.104 ( 9.851 0.000 -3.603) 10.489 6.327 ( -4.928 0.000 -18.159) 18.816 6.327 ( 4.928 0.000 -18.159) 18.816 7.134 ( -9.247 0.000 0.066) 9.248 7.134 ( 9.247 0.000 0.066) 9.248 7.932 ( -11.014 0.000 8.567) 13.953 7.932 ( 11.014 0.000 8.567) 13.953 8.033 ( -9.538 0.000 -0.525) 9.553 8.033 ( 9.538 0.000 -0.525) 9.553 8.239 ( -7.024 0.000 3.277) 7.750 8.239 ( 7.024 0.000 3.277) 7.750 8.390 ( -8.983 0.000 0.902) 9.028 8.390 ( 8.983 0.000 0.902) 9.028 8.808 ( -3.067 0.000 9.449) 9.934 8.808 ( 3.067 0.000 9.449) 9.934 9.028 ( -1.108 0.000 0.751) 1.339 9.028 ( 1.108 0.000 0.751) 1.339 9.534 ( -9.106 0.000 -2.279) 9.387 9.534 ( 9.106 0.000 -2.279) 9.387 9.905 ( -2.693 0.000 -4.236) 5.020 9.905 ( 2.693 0.000 -4.236) 5.020 10.244 ( -2.077 0.000 -1.805) 2.752 10.244 ( 2.077 0.000 -1.805) 2.752 11.268 ( -2.591 0.000 3.042) 3.995 11.268 ( 2.591 0.000 3.042) 3.995 11.464 ( -2.211 0.000 2.012) 2.989 11.464 ( 2.211 0.000 2.012) 2.989 11.631 ( -15.373 0.000 7.297) 17.016 11.631 ( 15.373 0.000 7.297) 17.016 12.018 ( -2.513 0.000 -2.551) 3.581 12.018 ( 2.513 0.000 -2.551) 3.581 12.157 ( -2.202 0.000 1.042) 2.436 12.157 ( 2.202 0.000 1.042) 2.436 12.785 ( -0.399 0.000 -1.706) 1.752 12.785 ( 0.399 0.000 -1.706) 1.752 12.944 ( -1.946 0.000 -4.982) 5.349 12.944 ( 1.946 0.000 -4.982) 5.349 13.078 ( -1.026 0.000 2.484) 2.687 13.078 ( 1.026 0.000 2.484) 2.687 13.717 ( -4.784 0.000 -3.162) 5.734 13.717 ( 4.784 0.000 -3.162) 5.734 14.008 ( -6.197 0.000 -11.658) 13.203 14.008 ( 6.197 0.000 -11.658) 13.203 14.392 ( -8.041 0.000 -5.230) 9.592 14.392 ( 8.041 0.000 -5.230) 9.592 14.996 ( -1.981 0.000 2.324) 3.054 14.996 ( 1.981 0.000 2.324) 3.054 16.463 ( -4.868 0.000 0.700) 4.918 16.463 ( 4.868 0.000 0.700) 4.918 16.911 ( -5.140 0.000 0.108) 5.141 16.911 ( 5.140 0.000 0.108) 5.141 17.202 ( -9.653 0.000 0.972) 9.702 17.202 ( 9.653 0.000 0.972) 9.702 17.390 ( -1.913 0.000 -0.166) 1.920 17.390 ( 1.913 0.000 -0.166) 1.920 18.215 ( -4.093 0.000 -1.389) 4.322 18.215 ( 4.093 0.000 -1.389) 4.322 19.233 ( -11.559 0.000 -0.186) 11.561 19.233 ( 11.559 0.000 -0.186) 11.561 19.286 ( -1.444 0.000 -5.822) 5.999 19.286 ( 1.444 0.000 -5.822) 5.999 19.693 ( -1.171 0.000 5.403) 5.528 19.693 ( 1.171 0.000 5.403) 5.528 27.197 ( -3.872 0.000 3.451) 5.187 27.197 ( 3.872 0.000 3.451) 5.187 27.408 ( -5.219 0.000 6.973) 8.710 27.408 ( 5.219 0.000 6.973) 8.710 28.362 ( -3.288 0.000 4.153) 5.297 28.362 ( 3.288 0.000 4.153) 5.297 28.895 ( -4.241 0.000 -0.674) 4.294 28.895 ( 4.241 0.000 -0.674) 4.294 29.613 ( -4.644 0.000 11.132) 12.062 29.613 ( 4.644 0.000 11.132) 12.062 30.675 ( -1.133 0.000 1.231) 1.673 30.675 ( 1.133 0.000 1.231) 1.673 30.912 ( -2.289 0.000 -1.417) 2.692 30.912 ( 2.289 0.000 -1.417) 2.692 31.333 ( -13.554 0.000 -5.684) 14.698 31.333 ( 13.554 0.000 -5.684) 14.698 34.647 ( -5.955 0.000 1.263) 6.088 34.647 ( 5.955 0.000 1.263) 6.088 35.497 ( -10.224 0.000 -9.313) 13.830 35.497 ( 10.224 0.000 -9.313) 13.830 107.457 ( -0.253 0.000 -0.608) 0.658 107.457 ( 0.253 0.000 -0.608) 0.658 107.511 ( -0.563 0.000 1.337) 1.451 107.511 ( 0.563 0.000 1.337) 1.451 ======================= Grid point 70 (25/80) ======================= q-point: ( 0.00 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.000 29.250 26.428) 39.421 1.282 ( 0.000 29.776 32.519) 44.092 2.122 ( 0.000 51.733 41.074) 66.056 2.124 ( 0.000 10.877 4.184) 11.654 3.350 ( 0.000 -2.470 -1.787) 3.049 3.821 ( 0.000 -7.818 -11.756) 14.119 3.888 ( 0.000 19.065 -8.354) 20.815 4.171 ( 0.000 3.842 -5.727) 6.896 4.272 ( 0.000 4.309 3.759) 5.718 4.325 ( 0.000 -1.344 0.455) 1.419 4.507 ( 0.000 9.232 -6.168) 11.103 4.583 ( 0.000 0.932 -3.605) 3.724 4.759 ( 0.000 0.372 5.001) 5.015 4.879 ( 0.000 16.400 -9.602) 19.004 4.883 ( 0.000 10.145 6.572) 12.088 5.119 ( 0.000 1.052 3.540) 3.693 5.136 ( 0.000 8.326 5.742) 10.114 5.490 ( 0.000 20.170 -3.176) 20.418 5.754 ( 0.000 21.594 6.561) 22.569 5.974 ( 0.000 9.926 -8.755) 13.236 6.201 ( 0.000 3.998 -15.296) 15.810 6.388 ( 0.000 -6.345 -7.775) 10.036 6.670 ( 0.000 -4.757 -7.384) 8.784 6.685 ( 0.000 -2.353 17.470) 17.628 6.982 ( 0.000 -19.953 11.878) 23.221 7.062 ( 0.000 6.745 -2.847) 7.322 7.486 ( 0.000 6.128 3.454) 7.035 7.506 ( 0.000 -5.634 5.125) 7.616 7.790 ( 0.000 0.154 -2.970) 2.974 7.973 ( 0.000 9.980 -4.801) 11.075 8.284 ( 0.000 -0.789 7.325) 7.367 8.451 ( 0.000 -4.382 2.410) 5.001 8.634 ( 0.000 0.832 3.339) 3.441 8.724 ( 0.000 7.066 -2.660) 7.550 9.148 ( 0.000 -0.368 2.539) 2.565 9.291 ( 0.000 5.746 1.714) 5.996 9.428 ( 0.000 13.978 1.749) 14.087 9.429 ( 0.000 -11.217 -3.768) 11.833 9.536 ( 0.000 -10.808 -4.771) 11.814 9.737 ( 0.000 -4.427 11.283) 12.120 9.950 ( 0.000 4.239 -5.881) 7.250 10.095 ( 0.000 -7.528 6.343) 9.844 10.240 ( 0.000 0.052 -2.643) 2.643 10.507 ( 0.000 4.619 -3.087) 5.556 10.543 ( 0.000 -2.942 -9.761) 10.195 10.965 ( 0.000 -27.916 25.159) 37.580 11.047 ( 0.000 -10.695 3.436) 11.234 11.368 ( 0.000 -8.442 -4.627) 9.627 11.498 ( 0.000 0.350 3.220) 3.239 11.614 ( 0.000 -14.732 7.676) 16.612 11.817 ( 0.000 -7.989 -0.749) 8.024 12.064 ( 0.000 -1.461 0.968) 1.752 12.101 ( 0.000 -11.084 1.597) 11.198 12.373 ( 0.000 9.370 1.854) 9.551 12.683 ( 0.000 -5.663 -14.744) 15.794 12.781 ( 0.000 -2.806 2.624) 3.842 12.816 ( 0.000 5.689 -5.477) 7.897 12.969 ( 0.000 4.468 1.440) 4.694 13.027 ( 0.000 1.686 2.984) 3.428 13.114 ( 0.000 6.556 -6.232) 9.045 13.359 ( 0.000 4.952 8.623) 9.944 13.767 ( 0.000 2.758 -5.061) 5.764 14.027 ( 0.000 -4.089 -8.674) 9.590 14.378 ( 0.000 -4.361 2.275) 4.919 14.450 ( 0.000 -7.151 -1.607) 7.329 14.560 ( 0.000 -6.379 5.009) 8.110 14.663 ( 0.000 -6.685 3.694) 7.638 14.862 ( 0.000 -24.917 7.629) 26.059 16.248 ( 0.000 2.324 2.088) 3.125 16.601 ( 0.000 -1.261 -2.039) 2.397 16.628 ( 0.000 -1.265 2.008) 2.374 16.870 ( 0.000 3.456 1.889) 3.939 17.209 ( 0.000 2.679 -1.285) 2.971 17.385 ( 0.000 1.322 2.376) 2.719 17.617 ( 0.000 -0.530 0.303) 0.611 17.807 ( 0.000 4.367 -0.290) 4.376 17.943 ( 0.000 1.620 -3.035) 3.440 18.051 ( 0.000 15.431 -16.691) 22.732 18.408 ( 0.000 -2.181 6.795) 7.136 19.175 ( 0.000 -12.107 -5.650) 13.361 19.388 ( 0.000 6.944 -0.156) 6.945 19.575 ( 0.000 9.417 -1.667) 9.564 19.775 ( 0.000 8.898 2.079) 9.138 20.470 ( 0.000 41.344 -44.447) 60.703 27.056 ( 0.000 0.365 1.849) 1.885 27.247 ( 0.000 -8.942 6.548) 11.083 27.370 ( 0.000 1.185 2.278) 2.568 27.546 ( 0.000 -1.189 7.953) 8.041 28.250 ( 0.000 0.493 -1.371) 1.457 28.689 ( 0.000 -2.698 2.062) 3.396 28.712 ( 0.000 -13.950 15.626) 20.947 28.937 ( 0.000 0.444 -3.950) 3.974 29.501 ( 0.000 -1.057 3.059) 3.236 29.851 ( 0.000 -23.192 23.969) 33.353 30.381 ( 0.000 -21.175 -4.738) 21.698 30.710 ( 0.000 -11.861 -1.447) 11.949 30.762 ( 0.000 11.391 2.281) 11.617 31.361 ( 0.000 22.150 -4.661) 22.635 32.032 ( 0.000 3.471 0.801) 3.562 32.656 ( 0.000 26.421 -26.133) 37.162 33.919 ( 0.000 -0.304 6.771) 6.778 34.353 ( 0.000 -3.834 1.285) 4.044 34.876 ( 0.000 -1.366 -1.033) 1.713 35.159 ( 0.000 -10.170 4.008) 10.931 107.447 ( 0.000 0.056 -0.469) 0.473 107.456 ( 0.000 -0.168 -0.174) 0.242 107.495 ( 0.000 -0.093 1.367) 1.370 107.546 ( 0.000 -2.911 2.904) 4.111 ======================= Grid point 71 (26/80) ======================= q-point: ( 0.17 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 22.291 24.892 18.008) 37.957 1.731 ( 28.908 31.174 20.001) 46.984 2.264 ( 13.043 10.346 3.535) 17.019 2.531 ( 38.937 32.137 32.995) 60.312 3.395 ( 2.103 -2.951 -6.481) 7.425 3.705 ( -11.545 18.800 -1.579) 22.118 3.890 ( 4.239 -2.607 -7.264) 8.805 4.144 ( -9.199 -0.847 1.484) 9.356 4.229 ( -3.743 -3.584 -3.159) 6.069 4.280 ( -5.794 8.370 0.369) 10.187 4.321 ( -6.942 17.813 -0.057) 19.118 4.548 ( -5.571 4.592 1.499) 7.373 4.768 ( 4.753 5.872 0.486) 7.570 4.793 ( -3.177 -0.447 1.793) 3.675 5.004 ( 6.449 10.540 -7.317) 14.360 5.157 ( 2.687 8.356 5.533) 10.376 5.255 ( 7.916 1.496 0.278) 8.061 5.475 ( -2.414 21.383 -0.919) 21.539 5.709 ( -2.148 19.458 5.686) 20.385 6.062 ( 6.232 13.192 -7.890) 16.587 6.178 ( -1.924 4.032 -17.534) 18.094 6.338 ( -2.274 -6.034 -9.985) 11.886 6.580 ( -10.959 0.045 17.001) 20.227 6.672 ( -3.804 -6.858 -1.656) 8.015 6.957 ( -5.144 11.418 -0.901) 12.556 7.113 ( 12.850 -14.131 2.647) 19.283 7.441 ( -5.599 -7.103 2.545) 9.395 7.647 ( 10.447 2.075 8.282) 13.492 7.873 ( 6.329 -2.228 -0.538) 6.731 7.969 ( 0.662 5.093 -4.881) 7.086 8.263 ( -0.945 5.152 4.715) 7.048 8.414 ( -3.649 -4.371 1.223) 5.824 8.580 ( -5.040 2.483 4.623) 7.276 8.688 ( -3.770 5.256 2.258) 6.851 9.106 ( -3.990 0.456 1.819) 4.409 9.187 ( -5.844 4.820 1.253) 7.678 9.284 ( -9.734 10.484 2.576) 14.536 9.388 ( -16.308 -4.785 2.000) 17.113 9.466 ( -9.080 -6.519 2.789) 11.521 9.633 ( 5.644 -2.001 -1.318) 6.132 9.860 ( -10.886 -7.922 -0.796) 13.487 9.982 ( -3.986 2.146 -0.779) 4.594 10.267 ( 0.290 1.546 -3.775) 4.090 10.315 ( -3.532 -3.382 -0.643) 4.932 10.813 ( 11.579 -4.251 3.302) 12.769 10.957 ( 8.004 -10.784 7.171) 15.224 11.187 ( 3.286 -9.614 8.385) 13.174 11.400 ( -1.660 -13.838 -1.447) 14.012 11.530 ( 2.544 1.505 4.608) 5.475 11.690 ( 8.001 -15.760 1.496) 17.738 11.853 ( 2.553 -7.706 -0.770) 8.154 12.057 ( -1.366 -6.930 1.393) 7.199 12.088 ( -1.674 -5.889 1.962) 6.429 12.338 ( -2.928 8.223 0.262) 8.733 12.658 ( 0.768 -2.442 -15.051) 15.267 12.771 ( 0.889 -3.786 -1.752) 4.265 12.844 ( 1.783 2.782 0.632) 3.364 12.970 ( 1.151 0.822 3.642) 3.907 13.037 ( -2.808 3.370 -0.047) 4.387 13.141 ( 2.001 8.202 -4.754) 9.689 13.561 ( 14.407 -2.970 -3.830) 15.201 13.745 ( -1.115 3.664 -4.395) 5.830 14.007 ( -2.291 -3.550 -11.402) 12.159 14.254 ( -10.408 -2.082 0.701) 10.638 14.343 ( -3.924 -1.774 1.532) 4.570 14.655 ( 0.527 -6.456 3.709) 7.464 14.710 ( 5.177 -10.628 3.212) 12.251 14.828 ( -1.714 -19.143 5.258) 19.926 16.278 ( 2.934 2.241 1.289) 3.911 16.569 ( -1.968 -1.571 -0.423) 2.553 16.682 ( 3.854 -1.131 -0.614) 4.063 16.906 ( 2.791 0.686 1.300) 3.154 17.166 ( -2.744 5.442 -0.753) 6.141 17.383 ( -0.057 2.764 1.217) 3.021 17.574 ( -4.244 1.610 -0.012) 4.539 17.625 ( -7.768 12.571 -0.954) 14.808 18.028 ( 6.347 2.139 -2.943) 7.316 18.269 ( 8.163 0.873 -8.485) 11.807 18.447 ( 6.641 -8.692 3.663) 11.536 19.147 ( -2.851 -12.972 -5.449) 14.356 19.395 ( 0.913 7.857 -0.357) 7.918 19.585 ( 0.413 8.952 0.001) 8.962 19.782 ( 0.894 9.344 1.677) 9.535 20.289 ( -13.512 35.128 -22.954) 44.085 27.078 ( 2.015 0.454 2.121) 2.961 27.230 ( -0.079 -5.268 8.106) 9.668 27.349 ( -2.093 1.206 2.579) 3.533 27.532 ( -1.437 -1.054 7.364) 7.576 28.265 ( 1.397 0.267 -0.852) 1.658 28.562 ( -8.308 -5.385 12.056) 15.600 28.739 ( 2.301 -2.901 3.222) 4.908 28.969 ( 0.686 -3.305 -2.806) 4.389 29.496 ( -0.040 -1.225 3.718) 3.915 29.761 ( -6.317 -13.204 19.421) 24.319 30.452 ( 5.562 -21.146 -4.308) 22.285 30.706 ( -0.314 -11.112 -1.397) 11.204 30.778 ( 1.508 10.549 2.044) 10.850 31.347 ( -2.544 23.549 -3.626) 23.962 31.686 ( -39.953 38.626 4.046) 55.719 31.948 ( -8.915 5.278 0.438) 10.369 34.394 ( 3.973 -3.464 1.285) 5.426 34.761 ( 27.492 -9.310 -15.425) 32.870 34.849 ( 2.563 -4.049 -4.031) 6.262 35.291 ( 11.196 -16.738 -1.914) 20.228 107.449 ( 0.170 0.068 -0.584) 0.612 107.460 ( 0.223 -0.154 -0.413) 0.494 107.496 ( 0.054 -0.146 1.332) 1.341 107.533 ( -0.921 -1.642 2.443) 3.084 ======================= Grid point 72 (27/80) ======================= q-point: ( 0.33 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 32.220 16.930 6.337) 36.944 2.297 ( 27.262 27.673 10.586) 40.262 2.574 ( 15.357 9.444 2.083) 18.148 3.136 ( -12.001 5.882 -3.476) 13.810 3.416 ( -1.383 12.193 2.287) 12.483 3.534 ( 7.605 11.019 5.004) 14.293 3.799 ( -6.656 14.172 5.310) 16.533 4.029 ( -2.571 6.353 4.948) 8.453 4.141 ( 11.162 -1.530 -2.842) 11.620 4.255 ( 3.147 4.803 -0.122) 5.743 4.359 ( 2.603 -1.296 1.469) 3.258 4.515 ( 5.360 9.786 6.935) 13.137 4.684 ( -7.306 -0.583 2.130) 7.633 4.891 ( 6.263 10.896 -2.051) 12.734 5.094 ( 0.066 11.293 -10.757) 15.596 5.217 ( 3.230 8.983 4.918) 10.739 5.356 ( 0.226 1.699 0.804) 1.893 5.421 ( -0.350 20.501 1.111) 20.534 5.695 ( 0.031 12.233 5.725) 13.507 6.079 ( -12.147 8.697 -0.677) 14.955 6.187 ( 3.260 2.184 -17.723) 18.152 6.258 ( -14.350 8.023 11.835) 20.257 6.319 ( 0.365 -1.513 -12.223) 12.322 6.528 ( -7.929 5.698 -3.948) 10.532 6.944 ( 3.668 2.275 1.564) 4.591 7.274 ( -9.427 -2.588 2.030) 9.984 7.426 ( 15.230 -13.774 -1.222) 20.571 7.772 ( 0.686 -5.893 6.357) 8.695 7.990 ( 6.724 -7.771 4.679) 11.291 8.043 ( 4.715 -1.382 -6.342) 8.022 8.301 ( 1.635 4.146 0.299) 4.466 8.320 ( -2.019 6.405 1.097) 6.804 8.450 ( -6.754 3.352 6.401) 9.891 8.583 ( -5.927 4.285 7.899) 10.765 8.972 ( -9.979 4.477 6.954) 12.961 8.979 ( -14.411 -1.082 3.848) 14.955 9.117 ( -1.769 7.005 -0.242) 7.229 9.167 ( -4.805 7.138 2.486) 8.956 9.358 ( -0.259 -5.869 -0.938) 5.949 9.624 ( -11.214 -10.640 -1.063) 15.495 9.776 ( 6.535 -3.237 -2.710) 7.780 9.935 ( -1.888 1.282 -3.262) 3.981 10.257 ( -0.268 1.421 -1.856) 2.353 10.292 ( -0.616 -0.294 -1.708) 1.840 11.033 ( 8.761 -15.060 8.160) 19.239 11.101 ( 5.660 -7.423 0.746) 9.364 11.216 ( -0.040 -6.831 3.369) 7.616 11.342 ( -3.278 -12.408 4.882) 13.731 11.591 ( 4.187 0.495 2.395) 4.849 11.774 ( -1.213 -11.888 1.353) 12.026 11.940 ( 5.310 -7.011 -1.404) 8.907 12.031 ( -1.795 -11.225 0.699) 11.390 12.039 ( 0.009 2.486 1.180) 2.752 12.261 ( -4.978 7.429 -0.807) 8.979 12.721 ( 3.803 -2.889 -7.796) 9.142 12.819 ( 4.078 -4.123 -5.309) 7.862 12.853 ( -1.790 1.797 -1.591) 2.994 12.978 ( -2.282 3.779 1.124) 4.556 13.015 ( 3.191 0.281 4.017) 5.139 13.146 ( -1.371 5.051 -0.954) 5.320 13.727 ( 1.982 3.370 -7.788) 8.714 13.806 ( 5.924 -0.530 -0.159) 5.950 13.946 ( -2.767 -0.275 -13.692) 13.972 14.085 ( -5.066 0.033 -8.382) 9.794 14.295 ( -0.491 -2.177 0.226) 2.243 14.541 ( -9.505 -4.842 -0.275) 10.671 14.809 ( 3.964 -13.188 6.105) 15.064 14.846 ( 1.987 -13.160 2.215) 13.492 16.357 ( 4.531 1.115 0.177) 4.669 16.521 ( -2.974 -1.185 -0.917) 3.330 16.768 ( 4.546 -2.208 -1.666) 5.321 16.924 ( -1.828 -4.499 -0.855) 4.931 17.177 ( 4.693 10.144 1.489) 11.276 17.394 ( 1.258 4.970 0.243) 5.133 17.467 ( -6.160 3.824 0.252) 7.254 17.516 ( -4.100 9.470 0.470) 10.330 18.149 ( 5.249 2.032 -2.565) 6.185 18.299 ( -1.857 1.563 0.425) 2.465 18.671 ( 12.413 -17.184 -2.284) 21.321 19.058 ( -6.073 -15.235 -4.401) 16.981 19.432 ( 2.798 9.372 0.318) 9.785 19.569 ( -2.238 9.147 1.984) 9.623 19.819 ( 2.866 11.127 0.927) 11.527 20.048 ( -9.667 23.550 -5.239) 25.990 27.133 ( 3.402 0.763 2.777) 4.457 27.274 ( 2.043 -1.052 5.233) 5.715 27.296 ( -0.964 0.019 4.706) 4.804 27.484 ( -3.520 -1.188 6.391) 7.392 28.301 ( 2.159 -0.191 0.859) 2.331 28.428 ( -4.951 -1.559 8.127) 9.643 28.797 ( 3.302 -2.178 0.496) 3.987 28.940 ( -3.060 -3.236 -1.618) 4.739 29.517 ( 2.171 -1.674 5.154) 5.837 29.653 ( -4.409 -5.005 12.271) 13.967 30.565 ( 5.302 -19.209 -3.951) 20.315 30.694 ( -1.115 -12.346 -1.862) 12.535 30.823 ( 3.085 11.774 1.950) 12.327 31.100 ( -13.784 27.212 3.826) 30.742 31.430 ( 1.956 18.370 -3.563) 18.814 31.737 ( -11.272 8.746 -1.539) 14.350 34.499 ( 6.145 -2.628 1.393) 6.828 34.744 ( -5.119 -1.155 0.460) 5.267 35.178 ( 12.664 -7.829 -9.802) 17.826 35.445 ( 1.792 -16.549 -8.513) 18.696 107.453 ( 0.222 0.082 -0.565) 0.613 107.461 ( -0.064 -0.019 -0.546) 0.550 107.499 ( 0.272 -0.272 1.218) 1.277 107.517 ( -0.657 -0.709 1.688) 1.945 ======================= Grid point 73 (28/80) ======================= q-point: (-0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -31.251 10.495 -3.282) 33.129 2.588 ( 31.251 10.495 -3.282) 33.129 2.723 ( -7.169 14.167 2.935) 16.147 2.723 ( 7.169 14.167 2.935) 16.147 3.335 ( -6.027 21.138 8.329) 23.506 3.335 ( 6.027 21.138 8.329) 23.506 4.000 ( -5.482 -0.017 -0.885) 5.553 4.000 ( 5.482 -0.017 -0.885) 5.553 4.282 ( -1.969 -0.880 -1.444) 2.595 4.282 ( 1.969 -0.880 -1.444) 2.595 4.495 ( -10.806 -0.781 2.737) 11.175 4.495 ( 10.806 -0.781 2.737) 11.175 4.925 ( -16.539 8.458 -5.351) 19.331 4.925 ( 16.539 8.458 -5.351) 19.331 5.105 ( -14.764 17.629 3.142) 23.209 5.105 ( 14.764 17.629 3.142) 23.209 5.371 ( -4.943 15.196 7.598) 17.694 5.371 ( 4.943 15.196 7.598) 17.694 5.730 ( -7.288 4.636 12.923) 15.543 5.730 ( 7.288 4.636 12.923) 15.543 6.193 ( -1.147 2.501 -13.131) 13.416 6.193 ( 1.147 2.501 -13.131) 13.416 6.392 ( -5.857 8.531 -9.609) 14.121 6.392 ( 5.857 8.531 -9.609) 14.121 7.077 ( -8.974 -2.003 1.829) 9.375 7.077 ( 8.974 -2.003 1.829) 9.375 7.687 ( -9.240 -11.751 1.073) 14.987 7.687 ( 9.240 -11.751 1.073) 14.987 8.096 ( -2.937 -7.759 -2.650) 8.710 8.096 ( 2.937 -7.759 -2.650) 8.710 8.274 ( -4.804 3.661 3.873) 7.175 8.274 ( 4.804 3.661 3.873) 7.175 8.474 ( -5.375 9.002 6.944) 12.575 8.474 ( 5.375 9.002 6.944) 12.575 8.828 ( -1.337 2.754 7.227) 7.849 8.828 ( 1.337 2.754 7.227) 7.849 9.116 ( -1.040 5.590 -0.066) 5.687 9.116 ( 1.040 5.590 -0.066) 5.687 9.434 ( -7.109 -6.838 -0.850) 9.901 9.434 ( 7.109 -6.838 -0.850) 9.901 9.881 ( -3.860 -1.649 -3.171) 5.260 9.881 ( 3.860 -1.649 -3.171) 5.260 10.270 ( -1.262 1.626 -2.159) 2.983 10.270 ( 1.262 1.626 -2.159) 2.983 11.138 ( -2.695 -14.656 3.211) 15.244 11.138 ( 2.695 -14.656 3.211) 15.244 11.262 ( -4.752 -8.044 5.130) 10.659 11.262 ( 4.752 -8.044 5.130) 10.659 11.695 ( -5.488 -4.645 2.241) 7.531 11.695 ( 5.488 -4.645 2.241) 7.531 11.990 ( -1.446 -8.743 -0.733) 8.892 11.990 ( 1.446 -8.743 -0.733) 8.892 12.140 ( -6.743 5.269 -0.715) 8.587 12.140 ( 6.743 5.269 -0.715) 8.587 12.790 ( -3.510 0.477 -3.668) 5.100 12.790 ( 3.510 0.477 -3.668) 5.100 12.915 ( -4.440 -2.840 -2.028) 5.647 12.915 ( 4.440 -2.840 -2.028) 5.647 13.092 ( -3.775 3.033 2.534) 5.465 13.092 ( 3.775 3.033 2.534) 5.465 13.784 ( -4.118 4.778 -3.271) 7.105 13.784 ( 4.118 4.778 -3.271) 7.105 14.001 ( -5.111 -1.097 -11.841) 12.943 14.001 ( 5.111 -1.097 -11.841) 12.943 14.357 ( -7.082 -3.123 -2.421) 8.110 14.357 ( 7.082 -3.123 -2.421) 8.110 14.860 ( -0.945 -12.935 3.792) 13.513 14.860 ( 0.945 -12.935 3.792) 13.513 16.448 ( -4.270 -0.293 -0.786) 4.352 16.448 ( 4.270 -0.293 -0.786) 4.352 16.857 ( -4.175 -3.704 -1.611) 5.809 16.857 ( 4.175 -3.704 -1.611) 5.809 17.314 ( -7.719 8.158 1.687) 11.357 17.314 ( 7.719 8.158 1.687) 11.357 17.447 ( -2.892 5.978 0.007) 6.641 17.447 ( 2.892 5.978 0.007) 6.641 18.239 ( -3.811 1.757 -0.620) 4.242 18.239 ( 3.811 1.757 -0.620) 4.242 18.899 ( -9.798 -17.447 -2.839) 20.211 18.899 ( 9.798 -17.447 -2.839) 20.211 19.502 ( -3.919 9.953 1.798) 10.847 19.502 ( 3.919 9.953 1.798) 10.847 19.900 ( -5.392 15.395 -0.351) 16.316 19.900 ( 5.392 15.395 -0.351) 16.316 27.209 ( -4.026 1.137 3.065) 5.185 27.209 ( 4.026 1.137 3.065) 5.185 27.391 ( -5.471 -1.536 6.027) 8.283 27.391 ( 5.471 -1.536 6.027) 8.283 28.352 ( -2.966 -0.597 3.888) 4.926 28.352 ( 2.966 -0.597 3.888) 4.926 28.868 ( -3.747 -2.388 -0.853) 4.524 28.868 ( 3.747 -2.388 -0.853) 4.524 29.575 ( -3.434 -2.555 7.836) 8.929 29.575 ( 3.434 -2.555 7.836) 8.929 30.653 ( -3.192 -15.918 -2.991) 16.509 30.653 ( 3.192 -15.918 -2.991) 16.509 30.911 ( -6.134 16.957 2.470) 18.201 30.911 ( 6.134 16.957 2.470) 18.201 31.534 ( -8.094 13.867 -3.006) 16.335 31.534 ( 8.094 13.867 -3.006) 16.335 34.627 ( -6.349 -1.764 1.061) 6.675 34.627 ( 6.349 -1.764 1.061) 6.675 35.379 ( -7.304 -10.791 -7.875) 15.225 35.379 ( 7.304 -10.791 -7.875) 15.225 107.458 ( -0.229 0.067 -0.532) 0.583 107.458 ( 0.229 0.067 -0.532) 0.583 107.506 ( -0.455 -0.410 1.278) 1.417 107.506 ( 0.455 -0.410 1.278) 1.417 ======================= Grid point 77 (29/80) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 0.000 36.655 11.123) 38.305 1.991 ( 0.000 37.837 18.362) 42.057 2.407 ( 0.000 16.250 2.560) 16.451 3.051 ( 0.000 33.242 9.086) 34.461 3.345 ( 0.000 2.040 1.018) 2.280 3.708 ( 0.000 -3.650 -7.616) 8.445 4.075 ( 0.000 -6.398 2.143) 6.748 4.145 ( 0.000 -6.370 -10.098) 11.939 4.204 ( 0.000 -3.620 -3.601) 5.107 4.329 ( 0.000 -0.563 5.900) 5.927 4.510 ( 0.000 -5.922 0.915) 5.992 4.682 ( 0.000 -2.958 1.032) 3.133 4.944 ( 0.000 32.852 4.457) 33.153 5.071 ( 0.000 0.188 -1.591) 1.602 5.301 ( 0.000 7.794 3.631) 8.598 5.312 ( 0.000 19.544 -9.559) 21.756 5.313 ( 0.000 23.728 12.194) 26.678 6.021 ( 0.000 17.050 2.099) 17.178 6.144 ( 0.000 0.654 -7.348) 7.378 6.154 ( 0.000 1.408 -4.141) 4.374 6.286 ( 0.000 7.539 -14.211) 16.087 6.445 ( 0.000 28.826 4.606) 29.192 6.493 ( 0.000 -11.485 8.722) 14.421 6.757 ( 0.000 14.973 14.439) 20.801 6.837 ( 0.000 6.913 -10.579) 12.637 7.170 ( 0.000 5.026 4.485) 6.736 7.530 ( 0.000 13.186 1.167) 13.237 7.685 ( 0.000 11.607 3.833) 12.224 7.913 ( 0.000 12.277 -10.701) 16.286 8.124 ( 0.000 -2.229 -7.925) 8.233 8.369 ( 0.000 7.443 0.996) 7.509 8.460 ( 0.000 12.429 -2.559) 12.690 8.635 ( 0.000 -0.542 3.473) 3.515 8.805 ( 0.000 1.006 6.348) 6.428 9.102 ( 0.000 -22.901 3.190) 23.122 9.161 ( 0.000 3.903 -6.198) 7.324 9.273 ( 0.000 -11.916 0.479) 11.925 9.376 ( 0.000 -1.013 5.478) 5.570 9.586 ( 0.000 -6.006 14.053) 15.283 9.776 ( 0.000 12.822 -2.300) 13.026 9.995 ( 0.000 0.055 -1.720) 1.721 10.022 ( 0.000 2.535 -2.895) 3.848 10.239 ( 0.000 -0.336 -1.081) 1.132 10.448 ( 0.000 -6.958 -7.469) 10.208 10.525 ( 0.000 -12.503 8.739) 15.255 10.664 ( 0.000 3.890 4.986) 6.324 10.714 ( 0.000 -23.624 -1.191) 23.654 11.170 ( 0.000 -9.649 -2.393) 9.942 11.316 ( 0.000 -10.908 6.332) 12.612 11.389 ( 0.000 -12.396 3.952) 13.011 11.548 ( 0.000 -20.421 -4.034) 20.816 11.798 ( 0.000 -16.910 7.244) 18.396 11.981 ( 0.000 -5.011 -5.554) 7.480 12.475 ( 0.000 -12.549 -13.924) 18.745 12.588 ( 0.000 8.540 3.736) 9.321 12.831 ( 0.000 9.840 3.557) 10.463 12.918 ( 0.000 4.021 -1.063) 4.159 13.033 ( 0.000 -1.797 3.280) 3.740 13.082 ( 0.000 5.815 1.135) 5.925 13.162 ( 0.000 2.192 -0.782) 2.328 13.459 ( 0.000 4.833 5.057) 6.995 13.827 ( 0.000 2.201 -4.441) 4.956 13.918 ( 0.000 -6.837 -8.052) 10.563 14.185 ( 0.000 -13.265 6.687) 14.855 14.249 ( 0.000 -11.346 6.709) 13.181 14.452 ( 0.000 -12.052 -3.899) 12.667 14.470 ( 0.000 -2.028 1.424) 2.478 14.617 ( 0.000 -5.622 -2.127) 6.011 16.356 ( 0.000 7.037 -1.023) 7.111 16.595 ( 0.000 0.676 -4.092) 4.148 16.620 ( 0.000 0.143 0.260) 0.297 16.884 ( 0.000 -2.453 -1.508) 2.879 17.341 ( 0.000 10.251 2.603) 10.577 17.439 ( 0.000 3.893 1.867) 4.318 17.603 ( 0.000 -0.773 0.501) 0.921 17.911 ( 0.000 5.230 0.576) 5.261 17.983 ( 0.000 2.194 -1.839) 2.862 18.139 ( 0.000 -2.549 -5.858) 6.389 18.400 ( 0.000 0.770 3.495) 3.579 18.925 ( 0.000 -12.047 -3.865) 12.651 19.555 ( 0.000 9.518 1.276) 9.603 19.822 ( 0.000 13.190 -2.313) 13.391 19.944 ( 0.000 8.389 2.148) 8.659 20.902 ( 0.000 5.827 -26.358) 26.994 27.064 ( 0.000 0.245 0.980) 1.010 27.104 ( 0.000 -4.593 7.033) 8.400 27.402 ( 0.000 1.850 1.718) 2.525 27.528 ( 0.000 -0.828 4.877) 4.947 28.276 ( 0.000 2.032 -2.101) 2.923 28.557 ( 0.000 -1.681 10.860) 10.989 28.613 ( 0.000 -4.644 1.990) 5.052 28.940 ( 0.000 -0.463 -3.687) 3.716 29.482 ( 0.000 -0.671 0.399) 0.780 29.668 ( 0.000 -1.127 6.996) 7.086 29.972 ( 0.000 -18.473 -3.937) 18.888 30.416 ( 0.000 -15.765 -2.836) 16.018 31.057 ( 0.000 16.480 3.600) 16.869 31.774 ( 0.000 15.861 -7.596) 17.586 32.111 ( 0.000 5.622 6.472) 8.573 32.907 ( 0.000 3.042 -11.713) 12.102 33.916 ( 0.000 0.198 5.513) 5.517 34.247 ( 0.000 -6.300 1.274) 6.428 34.847 ( 0.000 -1.172 -0.958) 1.514 35.009 ( 0.000 -5.383 1.967) 5.731 107.449 ( 0.000 0.103 -0.254) 0.274 107.454 ( 0.000 -0.045 -0.113) 0.122 107.493 ( 0.000 -0.118 1.143) 1.149 107.511 ( 0.000 -0.969 1.812) 2.055 ======================= Grid point 78 (30/80) ======================= q-point: ( 0.17 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 14.555 34.902 8.204) 38.695 2.344 ( 27.123 30.068 13.607) 42.719 2.540 ( 12.333 16.292 2.563) 20.594 3.189 ( 13.455 25.635 6.720) 29.721 3.393 ( 3.741 2.417 -3.422) 5.617 3.788 ( 7.175 -2.579 -6.411) 9.961 4.061 ( -3.100 -6.407 1.222) 7.221 4.132 ( -4.530 -0.960 -3.649) 5.896 4.171 ( -1.631 8.085 1.119) 8.324 4.255 ( -3.353 -3.566 4.791) 6.850 4.523 ( 1.176 -8.424 -0.412) 8.516 4.621 ( -5.381 1.562 -0.391) 5.617 4.985 ( -5.202 -2.237 4.214) 7.058 5.003 ( 3.392 28.525 6.281) 29.404 5.112 ( -6.336 23.758 1.516) 24.635 5.380 ( 5.845 10.033 0.281) 11.615 5.481 ( 6.358 17.082 -2.078) 18.344 5.978 ( -2.131 11.837 0.054) 12.027 6.152 ( 0.689 1.284 -10.619) 10.719 6.198 ( -5.456 -0.856 -2.382) 6.015 6.240 ( 0.845 16.890 -5.073) 17.656 6.396 ( -2.058 2.997 2.328) 4.317 6.504 ( -0.674 11.369 2.055) 11.573 6.756 ( -0.456 18.963 12.297) 22.605 6.927 ( 8.522 0.348 -10.760) 13.731 7.238 ( 5.256 12.763 4.649) 14.564 7.509 ( -2.626 16.074 0.524) 16.296 7.683 ( 1.548 5.830 4.113) 7.301 7.899 ( -2.679 5.612 -5.953) 8.608 8.059 ( -5.546 -0.944 -9.054) 10.659 8.307 ( -4.867 3.230 -1.195) 5.962 8.524 ( 5.160 13.952 -2.589) 15.100 8.579 ( -5.103 -1.487 4.621) 7.044 8.768 ( -3.737 1.896 10.886) 11.665 9.102 ( 0.365 -12.089 -0.381) 12.100 9.156 ( -9.919 -6.672 4.866) 12.907 9.188 ( -1.576 -4.575 -3.970) 6.259 9.288 ( -8.653 -7.950 6.008) 13.198 9.456 ( -8.963 -3.715 7.168) 12.063 9.684 ( -7.940 7.770 -2.221) 11.329 9.799 ( -8.075 7.567 -2.773) 11.408 10.043 ( -0.628 2.118 1.254) 2.541 10.222 ( -2.930 -4.369 -1.309) 5.422 10.321 ( -0.645 1.438 -1.518) 2.188 10.651 ( 5.129 -9.969 8.268) 13.930 10.787 ( 9.185 -7.812 -2.537) 12.322 10.910 ( 10.273 -19.091 2.242) 21.795 11.125 ( -4.237 -11.824 -0.486) 12.570 11.360 ( 2.761 -15.001 1.344) 15.312 11.404 ( 2.703 -11.663 4.224) 12.695 11.599 ( 4.010 -18.987 -2.688) 19.591 11.772 ( -1.860 -16.009 5.071) 16.896 12.032 ( 3.863 -1.941 -2.522) 5.005 12.452 ( -0.197 -3.779 -10.556) 11.214 12.610 ( 1.046 1.437 -3.346) 3.788 12.811 ( -1.560 10.328 0.165) 10.447 12.928 ( 0.666 2.687 1.197) 3.016 12.979 ( -1.486 1.807 2.222) 3.227 13.114 ( 1.183 3.528 3.951) 5.427 13.248 ( 3.960 2.700 -2.627) 5.465 13.491 ( 4.583 -1.349 3.681) 6.031 13.821 ( 0.485 2.435 -4.655) 5.276 13.909 ( -1.433 -5.985 -9.929) 11.681 14.147 ( -1.503 -7.729 1.466) 8.009 14.257 ( -1.919 -11.477 8.131) 14.196 14.422 ( -2.272 -5.335 4.512) 7.348 14.493 ( 2.714 -12.930 -2.980) 13.543 14.607 ( -1.784 -5.764 -0.672) 6.071 16.376 ( 1.899 6.505 -1.609) 6.965 16.565 ( -1.716 0.974 -2.438) 3.136 16.666 ( 3.021 -0.460 -2.079) 3.696 16.874 ( -1.122 -3.425 -1.795) 4.026 17.342 ( 0.817 10.987 2.230) 11.241 17.459 ( 1.917 5.117 2.330) 5.941 17.601 ( -0.459 1.573 0.222) 1.653 17.830 ( -5.132 7.828 -0.983) 9.412 18.069 ( 5.763 1.617 -1.388) 6.145 18.204 ( 5.855 -6.584 -4.311) 9.809 18.379 ( -1.859 0.017 3.790) 4.221 18.884 ( -4.098 -12.498 -3.741) 13.674 19.576 ( 2.136 10.017 1.460) 10.346 19.831 ( 0.267 14.149 -0.403) 14.157 19.951 ( 1.232 7.162 0.815) 7.313 20.732 ( -14.579 9.209 -18.370) 25.196 27.087 ( 2.295 0.387 1.366) 2.699 27.135 ( 3.209 -3.428 5.957) 7.585 27.382 ( -1.998 1.909 1.824) 3.311 27.511 ( -1.720 -1.052 4.592) 5.015 28.286 ( 0.971 1.870 -1.279) 2.465 28.499 ( -3.891 -0.058 7.892) 8.799 28.661 ( 3.258 -4.494 2.961) 6.291 28.926 ( -1.546 -1.703 -3.249) 3.981 29.476 ( -0.106 -0.555 0.865) 1.033 29.648 ( -1.760 -0.461 6.062) 6.329 30.042 ( 5.971 -18.558 -4.005) 19.902 30.407 ( -0.945 -16.047 -3.096) 16.370 31.077 ( 2.180 16.744 3.626) 17.271 31.755 ( -1.621 15.062 -6.652) 16.545 32.050 ( -5.779 6.722 5.365) 10.362 32.281 ( -37.904 18.964 1.266) 42.402 34.300 ( 5.178 -5.312 1.119) 7.502 34.476 ( 31.772 -14.322 -6.961) 35.540 34.810 ( -3.347 -0.904 -0.575) 3.515 35.055 ( 3.868 -7.826 1.183) 8.809 107.451 ( 0.202 0.121 -0.316) 0.394 107.457 ( 0.276 -0.060 -0.207) 0.350 107.492 ( -0.074 -0.182 1.138) 1.155 107.508 ( -0.235 -0.851 1.623) 1.847 ======================= Grid point 79 (31/80) ======================= q-point: ( 0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 24.144 27.504 3.278) 36.745 2.820 ( 16.692 16.231 1.862) 23.357 2.856 ( 17.240 23.794 5.248) 29.848 3.306 ( -9.993 10.179 -7.115) 15.940 3.613 ( 18.252 8.413 1.872) 20.185 3.847 ( -5.789 13.061 3.535) 14.717 3.970 ( -7.145 4.159 1.800) 8.461 4.019 ( 2.698 -4.563 -0.092) 5.302 4.156 ( 1.279 1.224 2.408) 2.989 4.261 ( 2.344 -4.897 4.899) 7.313 4.511 ( -4.788 6.916 -1.764) 8.595 4.575 ( 1.981 -5.523 1.035) 5.958 4.867 ( -2.601 12.620 1.727) 13.000 5.032 ( 2.433 -8.070 2.318) 8.742 5.213 ( 11.039 32.108 1.998) 34.012 5.503 ( 3.758 11.337 0.296) 11.947 5.570 ( 5.628 18.690 -1.001) 19.545 5.932 ( -2.996 14.783 2.984) 15.376 6.092 ( -3.219 -0.500 -3.618) 4.868 6.109 ( -8.343 8.418 3.994) 12.506 6.174 ( -0.424 -5.475 -13.597) 14.664 6.369 ( -12.624 23.089 -3.693) 26.573 6.476 ( 5.639 5.464 1.355) 7.968 6.719 ( -3.723 23.452 9.668) 25.638 7.126 ( 9.353 1.978 -9.127) 13.217 7.333 ( 2.842 20.643 0.467) 20.843 7.442 ( -1.378 16.994 -1.574) 17.122 7.702 ( -4.795 1.324 3.703) 6.202 7.840 ( 1.785 -4.300 -1.931) 5.040 7.954 ( -4.513 -7.653 -11.074) 14.198 8.221 ( -2.226 -0.532 -1.767) 2.892 8.448 ( -7.685 -1.321 7.711) 10.966 8.591 ( -0.100 5.396 8.601) 10.154 8.692 ( -4.016 5.102 9.949) 11.880 8.901 ( -9.019 -2.489 6.676) 11.494 9.044 ( -9.592 -5.850 1.564) 11.344 9.087 ( -3.101 -8.840 -0.251) 9.372 9.175 ( 0.615 -4.928 0.686) 5.014 9.401 ( 0.649 3.589 -0.854) 3.746 9.506 ( -7.963 4.996 -2.238) 9.664 9.783 ( 3.955 6.458 -2.399) 7.943 9.994 ( -3.953 4.260 1.892) 6.112 10.212 ( 2.189 -4.468 -0.426) 4.993 10.328 ( -0.760 1.978 -2.747) 3.470 10.745 ( 4.257 -11.436 5.870) 13.541 10.900 ( 0.561 -11.600 -1.032) 11.659 11.009 ( 1.012 -15.660 3.130) 16.002 11.077 ( 0.481 -15.772 3.366) 16.134 11.392 ( 1.664 -17.171 0.376) 17.256 11.461 ( 0.669 -15.031 3.199) 15.382 11.668 ( 2.572 -17.951 -1.544) 18.200 11.742 ( -1.227 -15.310 2.219) 15.519 12.136 ( 7.110 4.843 -1.786) 8.786 12.435 ( -3.855 6.927 -3.332) 8.599 12.655 ( 4.629 -5.460 -11.705) 13.720 12.793 ( -0.143 5.294 -2.794) 5.987 12.931 ( -0.505 1.262 1.889) 2.327 12.953 ( -2.019 2.816 0.667) 3.529 13.149 ( 2.189 6.714 6.570) 9.645 13.250 ( -2.270 5.505 -0.996) 6.038 13.646 ( 8.938 -9.019 -3.116) 13.075 13.853 ( -0.240 1.679 -3.811) 4.172 13.888 ( 2.446 -4.308 -11.922) 12.910 14.099 ( -4.915 0.076 -2.749) 5.632 14.209 ( 0.298 -7.799 3.779) 8.672 14.390 ( -2.693 -8.950 7.188) 11.791 14.526 ( -0.152 -11.060 2.694) 11.384 14.554 ( -1.682 -13.666 0.540) 13.780 16.425 ( 2.754 5.137 -2.787) 6.460 16.528 ( -2.026 1.883 -2.972) 4.060 16.728 ( 3.118 -1.720 -2.865) 4.571 16.839 ( -2.224 -3.948 -2.303) 5.083 17.390 ( 3.827 10.641 1.336) 11.387 17.518 ( 4.014 7.792 2.207) 9.038 17.568 ( -2.975 5.970 -0.135) 6.672 17.729 ( -5.061 9.978 -0.129) 11.189 18.176 ( 4.643 0.197 -1.246) 4.812 18.317 ( -1.136 -0.467 0.643) 1.387 18.377 ( 8.052 -11.792 0.038) 14.279 18.763 ( -7.777 -13.486 -3.170) 15.887 19.640 ( 4.075 11.154 2.163) 12.070 19.807 ( -2.771 13.890 2.280) 14.346 20.017 ( 5.414 7.340 -1.077) 9.184 20.419 ( -14.794 11.336 -7.352) 20.035 27.152 ( 3.979 0.998 1.787) 4.474 27.230 ( 5.886 -2.206 4.325) 7.630 27.324 ( -3.678 1.893 2.049) 4.617 27.455 ( -3.923 -1.484 3.975) 5.779 28.314 ( 1.854 1.730 0.703) 2.632 28.424 ( -3.495 1.733 5.412) 6.671 28.731 ( 3.653 -4.250 1.018) 5.696 28.877 ( -3.192 -3.122 -2.204) 4.979 29.494 ( 1.944 -0.231 1.941) 2.757 29.603 ( -2.639 0.124 4.696) 5.389 30.174 ( 6.655 -18.326 -4.325) 19.971 30.372 ( -2.709 -16.800 -3.736) 17.423 31.153 ( 5.616 17.872 3.816) 19.119 31.642 ( -19.161 22.873 3.227) 30.012 31.760 ( -3.242 12.962 -2.810) 13.654 31.914 ( -7.279 8.500 3.111) 11.615 34.434 ( 7.610 -3.288 0.940) 8.343 34.720 ( -5.610 -0.930 -0.073) 5.687 34.934 ( 14.430 -15.524 -8.501) 22.836 35.127 ( 2.295 -12.498 -1.437) 12.788 107.456 ( 0.246 0.173 -0.300) 0.424 107.462 ( 0.100 0.067 -0.350) 0.370 107.492 ( 0.088 -0.385 1.101) 1.169 107.502 ( -0.330 -0.679 1.286) 1.492 ======================= Grid point 80 (32/80) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( -22.135 18.681 -3.641) 29.192 2.892 ( 22.135 18.681 -3.641) 29.192 3.053 ( -3.583 17.436 1.477) 17.862 3.053 ( 3.583 17.436 1.477) 17.862 3.754 ( -0.585 16.024 8.021) 17.929 3.754 ( 0.586 16.024 8.021) 17.929 3.996 ( -5.624 -1.000 -0.693) 5.754 3.996 ( 5.624 -1.000 -0.693) 5.754 4.254 ( -5.820 -1.310 1.790) 6.228 4.254 ( 5.820 -1.310 1.790) 6.228 4.501 ( -5.699 0.601 2.024) 6.077 4.501 ( 5.699 0.601 2.024) 6.077 4.981 ( -8.176 -3.592 -4.907) 10.190 4.981 ( 8.176 -3.592 -4.907) 10.190 5.436 ( -8.252 19.065 -3.772) 21.113 5.436 ( 8.252 19.065 -3.772) 21.113 5.852 ( -15.893 17.920 10.783) 26.268 5.852 ( 15.893 17.920 10.783) 26.268 5.970 ( -3.427 12.916 9.552) 16.425 5.970 ( 3.427 12.916 9.552) 16.425 6.172 ( -0.844 2.761 -17.462) 17.699 6.172 ( 0.844 2.761 -17.462) 17.699 6.607 ( -6.767 16.141 5.037) 18.213 6.607 ( 6.767 16.141 5.037) 18.213 7.272 ( -5.860 17.916 -5.136) 19.537 7.272 ( 5.860 17.916 -5.136) 19.537 7.556 ( -8.456 4.556 -2.009) 9.813 7.556 ( 8.456 4.556 -2.009) 9.813 7.887 ( -1.949 -10.774 -7.576) 13.315 7.887 ( 1.949 -10.774 -7.576) 13.315 8.281 ( -7.683 -1.095 6.332) 10.016 8.281 ( 7.683 -1.095 6.332) 10.016 8.594 ( -2.711 0.249 14.288) 14.545 8.594 ( 2.711 0.249 14.288) 14.545 8.882 ( -4.656 -4.044 2.043) 6.497 8.882 ( 4.656 -4.044 2.043) 6.497 9.139 ( -4.672 2.392 -1.210) 5.387 9.139 ( 4.672 2.392 -1.210) 5.387 9.411 ( -1.475 1.873 -1.891) 3.044 9.411 ( 1.475 1.873 -1.891) 3.044 9.893 ( -5.896 4.697 -0.238) 7.542 9.893 ( 5.896 4.697 -0.238) 7.542 10.279 ( -3.642 -1.040 -1.572) 4.101 10.279 ( 3.642 -1.040 -1.572) 4.101 10.833 ( -4.634 -12.367 2.459) 13.434 10.833 ( 4.634 -12.367 2.459) 13.434 11.059 ( -2.448 -15.905 3.363) 16.439 11.059 ( 2.448 -15.905 3.363) 16.439 11.435 ( -2.304 -17.087 2.289) 17.393 11.435 ( 2.304 -17.087 2.289) 17.393 11.712 ( -1.824 -16.061 -0.226) 16.166 11.712 ( 1.824 -16.061 -0.226) 16.166 12.301 ( -8.372 8.041 -2.811) 11.943 12.301 ( 8.372 8.041 -2.811) 11.943 12.762 ( -4.241 -3.512 -7.320) 9.160 12.762 ( 4.241 -3.512 -7.320) 9.160 12.919 ( -0.268 4.103 1.359) 4.330 12.919 ( 0.268 4.103 1.359) 4.330 13.198 ( -2.626 6.585 3.453) 7.886 13.198 ( 2.626 6.585 3.453) 7.886 13.794 ( -5.138 -6.425 -7.729) 11.288 13.794 ( 5.138 -6.425 -7.729) 11.288 13.985 ( -5.548 0.678 -5.602) 7.913 13.985 ( 5.548 0.678 -5.602) 7.913 14.282 ( -6.199 -4.328 4.066) 8.585 14.282 ( 6.199 -4.328 4.066) 8.585 14.534 ( -1.147 -16.307 3.878) 16.801 14.534 ( 1.147 -16.307 3.878) 16.801 16.481 ( -2.666 3.433 -3.398) 5.517 16.481 ( 2.666 3.433 -3.398) 5.517 16.788 ( -2.785 -3.063 -2.797) 4.996 16.788 ( 2.785 -3.063 -2.797) 4.996 17.482 ( -4.845 8.722 -0.038) 9.977 17.482 ( 4.845 8.722 -0.038) 9.977 17.621 ( -5.520 9.976 1.705) 11.528 17.621 ( 5.520 9.976 1.705) 11.528 18.258 ( -3.578 -0.413 0.648) 3.660 18.258 ( 3.578 -0.413 0.648) 3.660 18.579 ( -10.213 -13.905 -2.170) 17.389 18.579 ( 10.213 -13.905 -2.170) 17.389 19.730 ( -4.547 12.458 2.763) 13.546 19.730 ( 4.547 12.458 2.763) 13.546 20.169 ( -9.909 9.628 -2.450) 14.032 20.169 ( 9.909 9.628 -2.450) 14.032 27.239 ( -4.458 1.648 2.006) 5.159 27.239 ( 4.458 1.648 2.006) 5.159 27.354 ( -5.921 -1.845 3.698) 7.221 27.354 ( 5.921 -1.845 3.698) 7.221 28.361 ( -2.781 1.929 2.998) 4.522 28.361 ( 2.781 1.929 2.998) 4.522 28.806 ( -3.732 -3.791 -0.859) 5.388 28.806 ( 3.732 -3.791 -0.859) 5.388 29.546 ( -2.947 0.072 3.331) 4.448 29.546 ( 2.947 0.072 3.331) 4.448 30.294 ( -5.047 -17.678 -4.290) 18.878 30.294 ( 5.047 -17.678 -4.290) 18.878 31.320 ( -11.615 20.431 4.296) 23.891 31.320 ( 11.615 20.431 4.296) 23.891 31.792 ( -4.293 10.509 -0.490) 11.363 31.792 ( 4.293 10.509 -0.490) 11.363 34.588 ( -7.382 -1.656 0.489) 7.581 34.588 ( 7.382 -1.656 0.489) 7.581 35.112 ( -4.295 -14.146 -5.118) 15.645 35.112 ( 4.295 -14.146 -5.118) 15.645 107.461 ( -0.185 0.189 -0.311) 0.408 107.461 ( 0.185 0.189 -0.311) 0.408 107.496 ( -0.296 -0.563 1.087) 1.260 107.496 ( 0.296 -0.563 1.087) 1.260 ======================= Grid point 84 (33/80) ======================= q-point: ( 0.00 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 0.000 36.086 2.355) 36.163 2.704 ( 0.000 24.592 1.200) 24.621 2.822 ( 0.000 30.936 8.487) 32.079 3.366 ( 0.000 -4.813 -2.722) 5.529 3.425 ( 0.000 7.854 -6.238) 10.030 3.645 ( 0.000 -3.287 -3.982) 5.164 3.868 ( 0.000 -20.776 -8.859) 22.586 3.950 ( 0.000 -0.937 8.357) 8.409 4.026 ( 0.000 -14.203 4.789) 14.988 4.269 ( 0.000 -6.699 7.735) 10.233 4.403 ( 0.000 -1.521 4.785) 5.021 4.563 ( 0.000 -7.059 1.819) 7.289 5.137 ( 0.000 6.199 -5.597) 8.352 5.433 ( 0.000 2.900 1.507) 3.268 5.495 ( 0.000 8.677 -2.077) 8.922 5.623 ( 0.000 9.693 -11.596) 15.114 5.815 ( 0.000 11.353 4.619) 12.257 5.961 ( 0.000 -7.812 -5.852) 9.761 6.086 ( 0.000 13.580 5.993) 14.844 6.150 ( 0.000 -3.449 14.579) 14.982 6.353 ( 0.000 11.608 13.566) 17.854 6.733 ( 0.000 24.480 -5.558) 25.103 6.948 ( 0.000 13.683 0.517) 13.693 7.050 ( 0.000 12.657 -16.850) 21.074 7.314 ( 0.000 9.903 0.044) 9.903 7.423 ( 0.000 35.757 7.690) 36.574 7.700 ( 0.000 1.978 -3.664) 4.163 7.881 ( 0.000 -12.851 -5.147) 13.844 8.229 ( 0.000 38.131 2.378) 38.205 8.267 ( 0.000 1.431 -5.363) 5.550 8.494 ( 0.000 -1.582 6.481) 6.671 8.524 ( 0.000 6.672 -1.058) 6.755 8.649 ( 0.000 -7.546 -5.520) 9.350 8.796 ( 0.000 -0.518 6.784) 6.803 8.914 ( 0.000 14.539 -8.334) 16.758 9.133 ( 0.000 5.748 4.978) 7.604 9.202 ( 0.000 -8.116 6.434) 10.357 9.232 ( 0.000 -16.782 -0.371) 16.786 9.454 ( 0.000 6.557 -3.064) 7.238 9.948 ( 0.000 -5.276 2.405) 5.798 9.975 ( 0.000 -23.044 -2.232) 23.152 10.040 ( 0.000 4.904 -0.896) 4.985 10.120 ( 0.000 -12.088 3.086) 12.476 10.236 ( 0.000 -8.067 0.839) 8.110 10.276 ( 0.000 -7.043 -0.535) 7.063 10.398 ( 0.000 6.908 6.974) 9.816 10.783 ( 0.000 4.182 1.595) 4.476 10.991 ( 0.000 -9.634 -0.060) 9.634 11.009 ( 0.000 -28.463 -6.778) 29.259 11.084 ( 0.000 -12.397 1.253) 12.461 11.181 ( 0.000 -4.462 3.457) 5.644 11.461 ( 0.000 -15.741 10.766) 19.071 11.926 ( 0.000 0.606 -9.673) 9.692 12.217 ( 0.000 -11.994 -13.729) 18.230 12.699 ( 0.000 4.257 11.452) 12.218 12.893 ( 0.000 -5.009 13.634) 14.525 13.067 ( 0.000 4.451 -6.442) 7.830 13.093 ( 0.000 8.957 -5.747) 10.642 13.210 ( 0.000 10.025 1.899) 10.203 13.259 ( 0.000 7.206 1.019) 7.278 13.566 ( 0.000 5.841 2.862) 6.504 13.740 ( 0.000 -10.425 -4.576) 11.385 13.753 ( 0.000 -10.970 -1.379) 11.056 14.010 ( 0.000 -12.384 2.312) 12.598 14.015 ( 0.000 -0.098 3.598) 3.599 14.224 ( 0.000 -9.426 -7.897) 12.297 14.456 ( 0.000 0.365 1.101) 1.160 14.532 ( 0.000 -3.186 2.315) 3.939 16.509 ( 0.000 7.637 -1.160) 7.725 16.618 ( 0.000 1.178 -4.448) 4.601 16.629 ( 0.000 0.620 -2.071) 2.162 16.794 ( 0.000 -5.801 -2.126) 6.179 17.522 ( 0.000 3.595 1.111) 3.763 17.581 ( 0.000 8.165 1.743) 8.349 17.592 ( 0.000 3.870 1.180) 4.046 18.002 ( 0.000 3.439 1.133) 3.621 18.007 ( 0.000 -3.814 1.273) 4.021 18.045 ( 0.000 -2.245 -4.038) 4.620 18.428 ( 0.000 2.406 1.579) 2.878 18.696 ( 0.000 -10.290 -2.488) 10.587 19.752 ( 0.000 9.255 0.391) 9.264 19.957 ( 0.000 0.769 -2.331) 2.455 20.228 ( 0.000 17.890 1.715) 17.972 20.849 ( 0.000 -9.020 -10.343) 13.724 27.052 ( 0.000 -0.905 3.062) 3.193 27.063 ( 0.000 -0.358 0.332) 0.488 27.441 ( 0.000 1.914 1.096) 2.206 27.507 ( 0.000 -1.233 2.318) 2.625 28.329 ( 0.000 3.220 -1.072) 3.394 28.510 ( 0.000 -5.272 1.622) 5.516 28.608 ( 0.000 5.845 4.505) 7.380 28.896 ( 0.000 -4.427 -2.779) 5.227 29.477 ( 0.000 0.331 -1.253) 1.296 29.660 ( 0.000 -11.536 -2.958) 11.909 29.714 ( 0.000 5.037 1.088) 5.154 30.108 ( 0.000 -13.961 -2.939) 14.267 31.395 ( 0.000 16.182 3.784) 16.619 31.872 ( 0.000 -4.514 -2.118) 4.987 32.358 ( 0.000 16.449 3.292) 16.775 32.867 ( 0.000 -6.216 -4.304) 7.561 33.936 ( 0.000 1.925 3.879) 4.331 34.114 ( 0.000 -6.448 1.586) 6.640 34.838 ( 0.000 0.353 -0.882) 0.950 34.920 ( 0.000 -3.533 0.003) 3.533 107.451 ( 0.000 0.114 0.025) 0.116 107.454 ( 0.000 -0.010 0.082) 0.082 107.491 ( 0.000 -0.041 0.869) 0.870 107.498 ( 0.000 -0.423 1.027) 1.111 ======================= Grid point 85 (34/80) ======================= q-point: ( 0.17 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 10.059 34.230 2.177) 35.743 2.854 ( 12.363 18.910 -0.682) 22.603 3.012 ( 17.103 30.490 8.562) 35.993 3.424 ( 5.047 -2.504 -5.595) 7.940 3.509 ( 8.274 7.166 -4.008) 11.657 3.718 ( 6.618 -4.234 -3.137) 8.460 3.909 ( 3.301 -15.890 -5.576) 17.161 3.990 ( 4.171 -0.710 4.173) 5.943 4.079 ( 3.542 -13.031 6.117) 14.824 4.254 ( -0.969 -2.476 4.473) 5.204 4.361 ( -3.410 -4.473 4.987) 7.517 4.529 ( -2.980 -8.735 1.608) 9.369 5.006 ( -9.090 8.494 1.795) 12.570 5.427 ( -6.161 7.670 5.836) 11.439 5.533 ( 6.263 4.935 -5.840) 9.883 5.669 ( 2.770 10.506 -9.888) 14.691 5.771 ( -2.102 2.899 2.137) 4.170 5.971 ( 0.875 -3.351 -5.130) 6.189 6.085 ( -6.039 -4.102 10.141) 12.496 6.134 ( 3.760 4.812 1.439) 6.274 6.312 ( -2.763 21.409 8.961) 23.372 6.781 ( 4.514 24.938 -2.037) 25.425 6.951 ( -1.094 13.463 -3.537) 13.963 7.062 ( 3.183 10.896 -10.135) 15.217 7.401 ( -2.382 36.925 5.678) 37.435 7.433 ( 9.311 6.096 0.402) 11.136 7.687 ( -1.227 2.164 -5.203) 5.767 7.845 ( -2.901 -11.514 -4.162) 12.582 8.155 ( -9.020 17.909 -5.829) 20.883 8.242 ( 0.481 32.091 2.344) 32.180 8.414 ( -3.778 -15.940 4.772) 17.062 8.509 ( -5.013 7.296 -5.447) 10.393 8.700 ( -7.434 -1.654 3.419) 8.348 8.732 ( 5.052 -4.752 3.073) 7.587 8.864 ( -5.323 6.118 2.187) 8.399 9.044 ( -12.955 -13.406 0.610) 18.652 9.092 ( -11.592 -6.671 13.593) 19.070 9.133 ( -0.943 7.276 -1.309) 7.453 9.479 ( 2.325 8.845 -4.739) 10.300 9.795 ( -7.269 -4.281 -3.824) 9.262 9.901 ( -4.240 -3.558 -2.745) 6.179 10.096 ( -1.093 8.410 2.808) 8.934 10.165 ( -0.200 -6.342 7.688) 9.968 10.223 ( 5.478 -22.951 3.917) 23.919 10.381 ( 8.254 -12.540 -3.397) 15.392 10.462 ( 2.448 -1.150 2.790) 3.886 10.750 ( -3.447 -6.076 0.562) 7.008 10.909 ( -5.174 -10.293 -2.524) 11.793 11.025 ( 2.169 -14.810 -1.423) 15.035 11.189 ( 5.889 -14.621 -0.027) 15.762 11.226 ( 3.690 -6.914 2.765) 8.311 11.448 ( -1.299 -15.208 7.617) 17.059 12.023 ( 8.545 1.533 -7.269) 11.323 12.275 ( 6.402 -9.945 -14.526) 18.732 12.681 ( -1.719 4.428 8.278) 9.544 12.885 ( -1.199 -4.405 10.117) 11.099 13.049 ( -0.899 4.836 -2.956) 5.739 13.118 ( -1.498 14.405 -6.854) 16.022 13.144 ( 0.200 -0.187 1.000) 1.037 13.351 ( 4.819 8.525 3.567) 10.422 13.539 ( -2.031 5.284 2.976) 6.395 13.691 ( -0.875 -11.920 -7.454) 14.086 13.834 ( 3.268 -7.407 -1.542) 8.242 13.959 ( -2.833 -11.437 3.923) 12.419 14.040 ( 1.521 -2.753 1.698) 3.574 14.237 ( 0.873 -10.459 -4.750) 11.520 14.412 ( -3.628 1.429 1.925) 4.348 14.517 ( -2.154 -3.584 2.907) 5.093 16.518 ( 0.924 7.126 -2.075) 7.479 16.599 ( -0.840 2.086 -3.465) 4.131 16.658 ( 1.773 -0.470 -3.275) 3.754 16.782 ( -1.046 -5.350 -2.407) 5.959 17.544 ( 2.222 6.204 0.763) 6.634 17.604 ( 2.582 9.347 2.491) 10.012 17.637 ( 3.663 2.732 0.803) 4.639 17.962 ( -2.578 5.238 -0.906) 5.908 18.045 ( 3.032 -8.454 -0.668) 9.006 18.087 ( 3.349 -0.381 -0.608) 3.425 18.393 ( -3.279 1.684 1.948) 4.169 18.649 ( -4.627 -10.413 -2.231) 11.611 19.781 ( 2.850 9.515 0.686) 9.956 19.990 ( 3.322 0.824 -1.902) 3.916 20.197 ( -3.005 16.763 1.811) 17.126 20.744 ( -9.669 -6.317 -7.988) 14.043 27.088 ( 3.231 -0.361 1.833) 3.732 27.096 ( 3.431 -0.587 1.189) 3.679 27.422 ( -1.959 1.907 1.062) 2.933 27.487 ( -2.000 -1.306 2.116) 3.191 28.340 ( 1.162 3.545 -0.361) 3.748 28.521 ( 0.634 -2.118 0.919) 2.394 28.600 ( -0.235 2.581 4.335) 5.051 28.867 ( -2.758 -4.733 -2.468) 6.008 29.480 ( 0.804 1.284 -0.989) 1.810 29.695 ( -0.829 3.273 0.146) 3.379 29.725 ( 4.685 -10.592 -2.446) 11.837 30.095 ( -1.323 -14.092 -3.134) 14.497 31.416 ( 2.263 15.912 3.791) 16.513 31.860 ( -0.884 -3.358 -1.811) 3.916 32.273 ( -7.670 13.278 3.582) 15.748 32.512 ( -26.024 4.600 0.813) 26.440 34.199 ( 8.012 -4.020 0.960) 9.015 34.248 ( 21.843 -7.746 -0.994) 23.197 34.808 ( -2.830 0.832 -0.720) 3.036 34.928 ( 0.462 -5.018 -0.392) 5.054 107.454 ( 0.255 0.131 0.022) 0.288 107.457 ( 0.297 -0.003 0.067) 0.304 107.489 ( -0.192 -0.078 0.844) 0.869 107.496 ( -0.190 -0.438 0.959) 1.071 ======================= Grid point 86 (35/80) ======================= q-point: ( 0.33 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 16.693 29.237 1.094) 33.684 3.138 ( 14.471 15.680 -0.841) 21.353 3.333 ( 10.711 21.635 2.749) 24.297 3.505 ( -0.022 7.638 -6.509) 10.035 3.737 ( 12.544 2.890 -1.383) 12.946 3.857 ( 5.559 -7.393 1.876) 9.438 3.956 ( -0.632 -5.826 -3.191) 6.673 4.068 ( 3.007 7.234 2.719) 8.293 4.114 ( 2.273 -5.827 4.142) 7.502 4.251 ( -4.322 1.828 3.208) 5.684 4.342 ( 7.340 -13.850 1.575) 15.753 4.468 ( -2.869 -8.576 0.542) 9.059 4.903 ( 0.207 4.364 8.444) 9.508 5.217 ( -13.470 13.700 8.941) 21.191 5.625 ( 0.493 -12.129 2.936) 12.489 5.692 ( 2.905 6.454 -8.424) 11.002 5.799 ( 2.198 6.906 -8.962) 11.526 5.893 ( -10.337 -7.970 7.074) 14.846 6.029 ( 4.336 -0.843 -6.957) 8.240 6.159 ( -3.026 -3.532 -6.768) 8.213 6.371 ( 10.419 39.395 3.111) 40.869 6.874 ( -7.344 17.321 -7.760) 20.351 6.900 ( 7.271 23.521 2.988) 24.800 7.163 ( 3.936 9.341 -1.686) 10.276 7.318 ( -3.134 25.153 2.121) 25.436 7.565 ( -2.216 0.359 -0.925) 2.428 7.686 ( 3.376 2.507 -8.589) 9.563 7.825 ( 3.700 2.378 0.621) 4.442 7.957 ( -9.805 16.203 -7.110) 20.230 8.208 ( -6.488 28.230 -1.126) 28.988 8.335 ( -1.745 0.020 1.480) 2.288 8.388 ( -6.135 6.429 1.239) 8.972 8.574 ( -3.451 -6.388 8.387) 11.094 8.652 ( -12.936 -3.396 12.621) 18.389 8.727 ( -6.789 -9.860 5.907) 13.349 8.788 ( -9.911 -13.978 4.478) 17.711 8.968 ( 4.132 -4.366 8.519) 10.426 9.191 ( 3.039 11.453 -2.187) 12.050 9.457 ( -2.728 1.493 -1.588) 3.492 9.662 ( -7.136 7.311 -7.058) 12.417 9.925 ( 5.297 -4.126 -3.823) 7.727 10.044 ( -1.906 4.420 2.385) 5.371 10.192 ( 3.141 5.494 5.493) 8.380 10.349 ( 3.689 -16.848 2.567) 17.437 10.445 ( -0.563 -11.820 0.096) 11.834 10.523 ( 3.100 -23.691 2.517) 24.025 10.671 ( -2.946 -10.482 -1.576) 11.001 10.798 ( -5.672 -5.380 -1.324) 7.930 11.092 ( 4.029 -10.331 0.313) 11.094 11.239 ( -1.370 -7.060 1.618) 7.372 11.307 ( 4.146 -15.936 0.649) 16.479 11.418 ( -1.628 -15.583 3.380) 16.028 12.229 ( 11.385 4.647 -5.984) 13.676 12.458 ( 10.002 -5.194 -11.974) 16.444 12.623 ( -4.348 4.148 -0.724) 6.053 12.821 ( -5.288 -2.870 0.148) 6.019 13.034 ( -0.827 3.874 0.279) 3.971 13.076 ( -0.979 11.892 -2.363) 12.164 13.206 ( 4.734 -1.584 2.057) 5.399 13.398 ( -0.988 8.660 3.302) 9.321 13.529 ( 1.974 0.516 3.113) 3.722 13.676 ( -1.849 -11.878 -9.742) 15.474 13.871 ( 1.468 -5.811 -0.997) 6.076 13.927 ( -0.685 -14.938 5.603) 15.969 14.097 ( 4.297 -0.265 1.112) 4.446 14.255 ( 1.082 -9.696 -0.542) 9.771 14.328 ( -4.545 1.121 3.605) 5.908 14.436 ( -5.523 -3.450 2.622) 7.020 16.542 ( 1.333 5.966 -3.703) 7.148 16.585 ( -0.673 3.298 -3.854) 5.117 16.694 ( 1.762 -1.855 -3.568) 4.390 16.757 ( -1.377 -4.277 -3.000) 5.402 17.603 ( 3.473 9.893 -0.511) 10.498 17.688 ( 4.439 6.795 1.905) 8.337 17.699 ( 2.527 7.569 1.252) 8.077 17.896 ( -3.861 5.756 -0.880) 6.987 18.139 ( 4.962 -6.097 -0.607) 7.884 18.166 ( 5.647 -5.606 -0.068) 7.958 18.309 ( -4.583 -0.476 2.229) 5.118 18.517 ( -8.207 -10.548 -1.482) 13.446 19.865 ( 5.345 10.366 1.406) 11.748 20.086 ( 3.943 5.010 -0.969) 6.449 20.117 ( -2.520 10.146 1.768) 10.602 20.508 ( -12.684 -1.909 -3.808) 13.380 27.170 ( 4.792 0.702 0.721) 4.897 27.196 ( 6.055 -1.088 1.696) 6.381 27.363 ( -3.877 1.813 0.975) 4.390 27.426 ( -4.183 -1.430 1.682) 4.730 28.377 ( 2.459 4.440 0.935) 5.161 28.501 ( -2.633 5.302 1.649) 6.145 28.630 ( 3.146 -5.264 1.742) 6.375 28.795 ( -4.173 -5.373 -1.641) 6.998 29.519 ( 2.934 2.989 -0.461) 4.214 29.655 ( -2.817 4.904 0.460) 5.675 29.845 ( 6.379 -13.677 -3.537) 15.501 30.051 ( -3.205 -14.331 -3.538) 15.105 31.498 ( 6.257 15.370 3.955) 17.059 31.858 ( 1.222 -0.354 -0.518) 1.374 32.024 ( -20.751 12.099 3.766) 24.314 32.093 ( -9.374 7.651 3.462) 12.585 34.390 ( 10.133 -0.357 0.161) 10.141 34.629 ( 14.356 -12.296 -3.821) 19.284 34.726 ( -5.070 1.098 -0.296) 5.196 34.922 ( -1.560 -8.276 -1.487) 8.552 107.460 ( 0.335 0.231 0.057) 0.411 107.464 ( 0.325 0.111 0.002) 0.344 107.485 ( -0.199 -0.265 0.814) 0.879 107.490 ( -0.315 -0.493 0.823) 1.010 ======================= Grid point 87 (36/80) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( -9.236 19.835 -4.037) 22.249 3.300 ( 9.236 19.835 -4.037) 22.249 3.405 ( -2.281 16.636 1.721) 16.879 3.405 ( 2.281 16.636 1.721) 16.879 3.900 ( -4.038 -3.331 -2.236) 5.692 3.900 ( 4.038 -3.331 -2.236) 5.692 3.972 ( -7.447 0.527 4.202) 8.567 3.972 ( 7.447 0.527 4.202) 8.567 4.235 ( -1.820 -0.497 2.913) 3.471 4.235 ( 1.820 -0.497 2.913) 3.471 4.437 ( -1.235 -8.256 -0.379) 8.357 4.437 ( 1.235 -8.256 -0.379) 8.357 4.982 ( -7.655 7.712 9.120) 14.186 4.982 ( 7.655 7.712 9.120) 14.186 5.660 ( -5.144 -17.806 4.873) 19.164 5.660 ( 5.144 -17.806 4.873) 19.164 5.808 ( -2.338 12.778 -9.024) 15.817 5.808 ( 2.338 12.778 -9.024) 15.817 6.101 ( -2.575 -0.990 -8.849) 9.269 6.101 ( 2.575 -0.990 -8.849) 9.269 6.642 ( -14.509 29.887 -3.715) 33.430 6.642 ( 14.509 29.887 -3.715) 33.430 7.074 ( -9.339 18.470 5.742) 21.479 7.074 ( 9.339 18.470 5.742) 21.479 7.415 ( -9.327 7.712 -2.709) 12.402 7.415 ( 9.327 7.712 -2.709) 12.402 7.770 ( -6.487 4.233 -10.306) 12.892 7.770 ( 6.487 4.233 -10.306) 12.892 8.020 ( -10.978 14.242 2.039) 18.097 8.020 ( 10.978 14.242 2.039) 18.097 8.315 ( -0.228 11.660 2.724) 11.976 8.315 ( 0.228 11.660 2.724) 11.976 8.538 ( -1.471 -3.609 13.078) 13.647 8.538 ( 1.471 -3.609 13.078) 13.647 8.654 ( -2.845 -12.985 4.509) 14.037 8.654 ( 2.845 -12.985 4.509) 14.037 9.120 ( -8.416 -5.394 5.311) 11.320 9.120 ( 8.416 -5.394 5.311) 11.320 9.512 ( -7.053 9.711 -6.241) 13.527 9.512 ( 7.053 9.711 -6.241) 13.527 10.009 ( -2.362 -0.214 -0.528) 2.430 10.009 ( 2.362 -0.214 -0.528) 2.430 10.294 ( -6.167 7.270 0.363) 9.541 10.294 ( 6.167 7.270 0.363) 9.541 10.501 ( -4.071 -34.934 4.560) 35.465 10.501 ( 4.071 -34.934 4.560) 35.465 10.693 ( -4.303 -3.426 -2.124) 5.896 10.693 ( 4.303 -3.426 -2.124) 5.896 11.176 ( -4.110 -8.130 1.560) 9.243 11.176 ( 4.110 -8.130 1.560) 9.243 11.376 ( -2.695 -16.056 1.184) 16.324 11.376 ( 2.695 -16.056 1.184) 16.324 12.450 ( -9.574 6.712 -5.032) 12.729 12.450 ( 9.574 6.712 -5.032) 12.729 12.679 ( -8.486 -4.538 -7.950) 12.482 12.679 ( 8.486 -4.538 -7.950) 12.482 13.045 ( -1.858 7.834 0.883) 8.099 13.045 ( 1.858 7.834 0.883) 8.099 13.322 ( -5.755 3.447 2.633) 7.207 13.322 ( 5.755 3.447 2.633) 7.207 13.606 ( -4.583 -7.595 -3.632) 9.585 13.606 ( 4.584 -7.595 -3.632) 9.585 13.907 ( -1.567 -11.021 2.778) 11.473 13.907 ( 1.567 -11.021 2.778) 11.473 14.205 ( -5.833 -0.201 3.626) 6.871 14.205 ( 5.833 -0.201 3.626) 6.871 14.326 ( -4.492 -4.840 0.856) 6.658 14.326 ( 4.492 -4.840 0.856) 6.658 16.568 ( -1.108 4.640 -4.317) 6.434 16.568 ( 1.108 4.640 -4.317) 6.434 16.728 ( -1.583 -3.092 -3.478) 4.916 16.728 ( 1.583 -3.092 -3.478) 4.916 17.673 ( -3.038 9.791 -1.336) 10.338 17.673 ( 3.038 9.791 -1.336) 10.338 17.807 ( -5.230 7.166 2.086) 9.114 17.807 ( 5.230 7.166 2.086) 9.114 18.217 ( -3.807 -3.184 0.710) 5.014 18.217 ( 3.807 -3.184 0.710) 5.014 18.335 ( -9.275 -9.865 -0.474) 13.549 18.335 ( 9.275 -9.865 -0.474) 13.549 19.986 ( -6.391 12.061 1.901) 13.782 19.986 ( 6.391 12.061 1.901) 13.782 20.269 ( -10.514 0.254 -1.374) 10.606 20.269 ( 10.514 0.254 -1.374) 10.606 27.271 ( -5.039 1.430 0.823) 5.302 27.271 ( 5.039 1.430 0.823) 5.302 27.322 ( -6.001 -1.372 1.450) 6.324 27.322 ( 6.001 -1.372 1.450) 6.324 28.437 ( -3.379 5.479 1.760) 6.673 28.437 ( 3.379 5.479 1.760) 6.673 28.708 ( -4.318 -5.970 -0.359) 7.376 28.708 ( 4.318 -5.970 -0.359) 7.376 29.588 ( -3.633 4.267 0.060) 5.604 29.588 ( 3.633 4.267 0.060) 5.604 29.965 ( -5.276 -14.314 -3.748) 15.710 29.965 ( 5.276 -14.314 -3.748) 15.710 31.684 ( -12.649 14.718 4.257) 19.868 31.684 ( 12.649 14.718 4.257) 19.868 31.933 ( -5.952 2.945 1.643) 6.841 31.933 ( 5.952 2.945 1.643) 6.841 34.581 ( -8.438 1.420 -0.375) 8.565 34.581 ( 8.438 1.420 -0.375) 8.565 34.845 ( -6.621 -11.522 -2.911) 13.604 34.845 ( 6.621 -11.522 -2.911) 13.604 107.466 ( -0.161 0.337 0.023) 0.374 107.466 ( 0.161 0.337 0.023) 0.374 107.484 ( -0.210 -0.546 0.782) 0.976 107.484 ( 0.210 -0.546 0.782) 0.976 ======================= Grid point 91 (37/80) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 0.000 -16.998 -3.902) 17.440 3.099 ( 0.000 16.998 -3.902) 17.440 3.274 ( 0.000 -22.176 -5.739) 22.907 3.274 ( 0.000 22.176 -5.739) 22.907 3.530 ( 0.000 -7.583 3.789) 8.477 3.530 ( 0.000 7.583 3.789) 8.477 3.582 ( 0.000 -8.993 0.065) 8.994 3.582 ( 0.000 8.993 0.065) 8.994 4.094 ( 0.000 -9.058 11.765) 14.848 4.094 ( 0.000 9.058 11.765) 14.848 4.442 ( 0.000 -4.318 2.078) 4.792 4.442 ( 0.000 4.318 2.078) 4.792 5.309 ( 0.000 -10.031 -3.144) 10.513 5.309 ( 0.000 10.031 -3.144) 10.513 5.645 ( 0.000 -6.330 -11.799) 13.389 5.645 ( 0.000 6.330 -11.799) 13.389 5.877 ( 0.000 -1.782 -3.867) 4.258 5.877 ( 0.000 1.782 -3.867) 4.258 6.099 ( 0.000 -0.905 18.498) 18.520 6.099 ( 0.000 0.905 18.498) 18.520 7.036 ( 0.000 -4.737 0.337) 4.749 7.036 ( 0.000 4.737 0.337) 4.749 7.204 ( 0.000 -40.308 10.928) 41.763 7.204 ( 0.000 40.308 10.928) 41.763 7.373 ( 0.000 -19.707 -15.552) 25.104 7.373 ( 0.000 19.707 -15.552) 25.104 7.680 ( 0.000 -1.600 -2.000) 2.561 7.680 ( 0.000 1.600 -2.000) 2.561 8.531 ( 0.000 -26.234 -2.507) 26.353 8.531 ( 0.000 26.234 -2.507) 26.353 8.581 ( 0.000 -0.261 0.606) 0.660 8.581 ( 0.000 0.261 0.606) 0.660 8.843 ( 0.000 -12.961 7.094) 14.775 8.843 ( 0.000 12.961 7.094) 14.775 8.952 ( 0.000 -7.367 3.556) 8.180 8.952 ( 0.000 7.367 3.556) 8.180 9.170 ( 0.000 -39.286 -1.818) 39.328 9.170 ( 0.000 39.286 -1.818) 39.328 9.575 ( 0.000 -14.267 -9.933) 17.384 9.575 ( 0.000 14.267 -9.933) 17.384 9.845 ( 0.000 -13.787 0.995) 13.822 9.845 ( 0.000 13.787 0.995) 13.822 10.147 ( 0.000 -3.556 1.879) 4.022 10.147 ( 0.000 3.556 1.879) 4.022 10.397 ( 0.000 -17.957 4.129) 18.425 10.397 ( 0.000 17.957 4.129) 18.425 10.707 ( 0.000 -14.751 1.521) 14.829 10.707 ( 0.000 14.751 1.521) 14.829 10.926 ( 0.000 -5.641 0.288) 5.648 10.926 ( 0.000 5.641 0.288) 5.648 11.210 ( 0.000 -7.595 5.945) 9.645 11.210 ( 0.000 7.595 5.945) 9.645 12.014 ( 0.000 -7.610 -12.241) 14.414 12.014 ( 0.000 7.610 -12.241) 14.414 12.790 ( 0.000 -4.812 13.844) 14.656 12.790 ( 0.000 4.812 13.844) 14.656 13.135 ( 0.000 -1.602 -3.968) 4.279 13.135 ( 0.000 1.602 -3.968) 4.279 13.424 ( 0.000 -2.436 -2.862) 3.759 13.424 ( 0.000 2.436 -2.862) 3.759 13.534 ( 0.000 -3.824 0.351) 3.840 13.534 ( 0.000 3.824 0.351) 3.840 13.760 ( 0.000 -10.974 0.347) 10.979 13.760 ( 0.000 10.974 0.347) 10.979 14.080 ( 0.000 -5.149 -1.927) 5.498 14.080 ( 0.000 5.149 -1.927) 5.498 14.480 ( 0.000 -1.941 1.831) 2.668 14.480 ( 0.000 1.941 1.831) 2.668 16.630 ( 0.000 -0.550 -3.462) 3.506 16.630 ( 0.000 0.550 -3.462) 3.506 16.664 ( 0.000 -6.337 -1.827) 6.595 16.664 ( 0.000 6.337 -1.827) 6.595 17.571 ( 0.000 -1.318 0.819) 1.552 17.571 ( 0.000 1.318 0.819) 1.552 17.829 ( 0.000 -10.922 0.446) 10.931 17.829 ( 0.000 10.922 0.446) 10.931 18.045 ( 0.000 -0.738 0.538) 0.913 18.045 ( 0.000 0.738 0.538) 0.913 18.519 ( 0.000 -6.807 -0.730) 6.846 18.519 ( 0.000 6.807 -0.730) 6.846 19.906 ( 0.000 -5.388 -0.867) 5.458 19.906 ( 0.000 5.388 -0.867) 5.458 20.585 ( 0.000 -16.177 -2.199) 16.326 20.585 ( 0.000 16.177 -2.199) 16.326 27.052 ( 0.000 -0.543 0.789) 0.958 27.052 ( 0.000 0.543 0.789) 0.958 27.478 ( 0.000 -1.648 1.060) 1.960 27.478 ( 0.000 1.648 1.060) 1.960 28.408 ( 0.000 -4.560 0.650) 4.606 28.408 ( 0.000 4.560 0.650) 4.606 28.760 ( 0.000 -8.192 -0.178) 8.194 28.760 ( 0.000 8.192 -0.178) 8.194 29.511 ( 0.000 -3.676 -2.136) 4.251 29.511 ( 0.000 3.676 -2.136) 4.251 29.865 ( 0.000 -9.779 -1.658) 9.919 29.865 ( 0.000 9.779 -1.658) 9.919 31.690 ( 0.000 -12.352 2.326) 12.569 31.690 ( 0.000 12.352 2.326) 12.569 32.669 ( 0.000 -13.064 -0.555) 13.076 32.669 ( 0.000 13.064 -0.555) 13.076 34.000 ( 0.000 -4.469 2.454) 5.099 34.000 ( 0.000 4.469 2.454) 5.099 34.863 ( 0.000 -2.076 -0.697) 2.190 34.863 ( 0.000 2.076 -0.697) 2.190 107.453 ( 0.000 -0.068 0.185) 0.197 107.453 ( 0.000 0.068 0.185) 0.197 107.492 ( 0.000 -0.141 0.750) 0.763 107.492 ( 0.000 0.141 0.750) 0.763 ======================= Grid point 93 (38/80) ======================= q-point: ( 0.17 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( 8.456 -14.426 -3.131) 17.012 3.190 ( 8.456 14.425 -3.131) 17.012 3.371 ( 8.510 -23.557 -5.170) 25.575 3.371 ( 8.510 23.557 -5.170) 25.575 3.607 ( 7.062 -13.832 2.756) 15.773 3.607 ( 7.062 13.832 2.756) 15.773 3.690 ( 9.979 -14.079 -0.181) 17.257 3.690 ( 9.979 14.079 -0.181) 17.257 4.125 ( 3.115 -8.693 9.011) 12.902 4.125 ( 3.115 8.693 9.011) 12.902 4.378 ( -5.812 -5.010 3.595) 8.474 4.378 ( -5.812 5.010 3.595) 8.474 5.257 ( -4.682 -14.261 -0.220) 15.012 5.257 ( -4.682 14.261 -0.220) 15.012 5.685 ( 2.197 -6.863 -8.573) 11.199 5.685 ( 2.197 6.863 -8.573) 11.199 5.857 ( -2.453 -8.811 -2.266) 9.422 5.857 ( -2.453 8.811 -2.266) 9.422 6.053 ( -2.377 -4.802 9.674) 11.059 6.053 ( -2.377 4.802 9.674) 11.059 7.037 ( 0.236 -6.809 -1.334) 6.942 7.037 ( 0.236 6.809 -1.334) 6.942 7.187 ( -1.576 -16.248 1.330) 16.378 7.187 ( -1.576 16.248 1.330) 16.378 7.473 ( 8.614 -11.202 -6.160) 15.415 7.473 ( 8.614 11.202 -6.160) 15.415 7.706 ( 2.533 -0.600 -0.747) 2.708 7.706 ( 2.533 0.600 -0.747) 2.708 8.383 ( -12.378 -21.755 -1.579) 25.080 8.383 ( -12.378 21.755 -1.579) 25.080 8.478 ( -8.418 -5.224 0.355) 9.913 8.478 ( -8.418 5.224 0.355) 9.913 8.745 ( -6.940 -9.244 6.925) 13.475 8.745 ( -6.940 9.244 6.925) 13.475 8.948 ( -4.126 -7.157 5.801) 10.095 8.948 ( -4.126 7.157 5.801) 10.095 9.239 ( 4.748 -37.325 -2.353) 37.699 9.239 ( 4.748 37.325 -2.353) 37.699 9.590 ( 1.379 -12.861 -5.136) 13.917 9.590 ( 1.379 12.861 -5.136) 13.917 9.774 ( -4.270 -23.298 -1.062) 23.710 9.774 ( -4.270 23.298 -1.062) 23.710 10.156 ( -1.186 -3.189 4.994) 6.043 10.156 ( -1.186 3.189 4.994) 6.043 10.389 ( 0.973 -18.737 0.896) 18.783 10.389 ( 0.973 18.737 0.896) 18.783 10.695 ( -1.342 -13.325 -0.247) 13.395 10.695 ( -1.342 13.325 -0.247) 13.395 10.974 ( 3.948 -6.478 0.601) 7.610 10.974 ( 3.948 6.478 0.601) 7.610 11.220 ( 0.259 -6.015 4.487) 7.509 11.220 ( 0.259 6.015 4.487) 7.509 12.104 ( 8.793 -6.438 -11.454) 15.810 12.104 ( 8.793 6.438 -11.454) 15.810 12.781 ( -0.937 -5.263 11.403) 12.594 12.781 ( -0.937 5.263 11.403) 12.594 13.118 ( -1.526 -2.334 -1.925) 3.389 13.118 ( -1.526 2.334 -1.925) 3.389 13.399 ( -1.190 -12.176 -7.231) 14.212 13.399 ( -1.190 12.176 -7.231) 14.212 13.595 ( 4.103 -8.861 1.826) 9.934 13.595 ( 4.103 8.861 1.826) 9.934 13.724 ( -3.198 -8.977 2.268) 9.796 13.724 ( -3.198 8.977 2.268) 9.796 14.087 ( 0.984 -4.946 -1.276) 5.202 14.087 ( 0.984 4.946 -1.276) 5.202 14.454 ( -2.628 -2.589 2.433) 4.419 14.454 ( -2.628 2.589 2.433) 4.419 16.634 ( 0.323 -0.465 -3.728) 3.771 16.634 ( 0.323 0.465 -3.728) 3.771 16.664 ( 0.015 -5.406 -2.278) 5.866 16.664 ( 0.015 5.406 -2.278) 5.866 17.623 ( 4.884 -2.080 0.806) 5.369 17.623 ( 4.884 2.080 0.806) 5.369 17.842 ( 1.282 -10.874 0.276) 10.953 17.842 ( 1.282 10.874 0.276) 10.953 18.053 ( 0.857 -3.096 0.344) 3.231 18.053 ( 0.857 3.096 0.344) 3.231 18.473 ( -4.443 -6.505 -0.309) 7.884 18.473 ( -4.443 6.505 -0.309) 7.884 19.938 ( 3.241 -5.503 -0.526) 6.408 19.938 ( 3.241 5.503 -0.526) 6.408 20.525 ( -5.712 -14.376 -1.550) 15.547 20.525 ( -5.712 14.376 -1.550) 15.547 27.088 ( 3.452 -0.348 0.661) 3.532 27.088 ( 3.452 0.348 0.661) 3.532 27.458 ( -2.017 -1.617 0.932) 2.748 27.458 ( -2.017 1.617 0.932) 2.748 28.428 ( 2.002 -4.985 0.690) 5.416 28.428 ( 2.002 4.985 0.690) 5.416 28.733 ( -2.627 -7.804 -0.072) 8.235 28.733 ( -2.627 7.804 -0.072) 8.235 29.544 ( 3.108 -5.431 -2.160) 6.620 29.544 ( 3.108 5.431 -2.160) 6.620 29.850 ( -1.462 -9.818 -1.788) 10.086 29.850 ( -1.462 9.818 -1.788) 10.086 31.700 ( 1.177 -11.486 2.345) 11.781 31.700 ( 1.177 11.486 2.345) 11.781 32.488 ( -15.211 -6.605 1.400) 16.642 32.488 ( -15.211 6.605 1.400) 16.642 34.162 ( 13.418 -0.879 0.621) 13.461 34.162 ( 13.418 0.879 0.621) 13.461 34.847 ( -1.691 -2.967 -0.794) 3.506 34.847 ( -1.691 2.967 -0.794) 3.506 107.456 ( 0.300 -0.069 0.207) 0.371 107.456 ( 0.300 0.069 0.207) 0.371 107.490 ( -0.228 -0.151 0.697) 0.749 107.490 ( -0.228 0.151 0.697) 0.749 ======================= Grid point 95 (39/80) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( 11.437 -7.230 -1.942) 13.670 3.401 ( 11.437 7.230 -1.942) 13.670 3.565 ( 9.231 -17.494 -4.379) 20.259 3.565 ( 9.231 17.494 -4.379) 20.259 3.742 ( 4.540 -8.773 3.887) 10.616 3.742 ( 4.540 8.773 3.887) 10.616 3.908 ( 8.176 -7.970 -3.112) 11.834 3.908 ( 8.176 7.970 -3.112) 11.834 4.203 ( 1.587 -4.351 1.713) 4.938 4.203 ( 1.587 4.351 1.713) 4.938 4.273 ( -0.071 -6.493 7.024) 9.566 4.273 ( -0.071 6.493 7.024) 9.566 5.168 ( -2.047 -17.425 6.061) 18.562 5.168 ( -2.047 17.425 6.061) 18.562 5.559 ( -13.986 -10.735 9.017) 19.803 5.559 ( -13.986 10.735 9.017) 19.803 5.895 ( 6.363 -1.133 -12.311) 13.904 5.895 ( 6.363 1.133 -12.311) 13.904 6.050 ( 0.615 -4.704 -5.344) 7.146 6.050 ( 0.615 4.704 -5.344) 7.146 7.042 ( 0.256 -11.986 -5.350) 13.129 7.042 ( 0.256 11.986 -5.350) 13.129 7.137 ( -3.384 -11.381 -5.469) 13.073 7.137 ( -3.384 11.381 -5.469) 13.073 7.668 ( 9.534 -20.562 0.285) 22.667 7.668 ( 9.534 20.562 0.285) 22.667 7.780 ( 4.519 -8.491 2.559) 9.953 7.780 ( 4.519 8.491 2.559) 9.953 8.141 ( -8.939 -12.290 1.447) 15.266 8.141 ( -8.939 12.290 1.447) 15.266 8.317 ( -7.647 -5.985 -1.194) 9.783 8.317 ( -7.647 5.985 -1.194) 9.783 8.592 ( -6.882 -4.700 7.555) 11.248 8.592 ( -6.882 4.700 7.555) 11.248 8.763 ( -11.999 -3.981 9.996) 16.117 8.763 ( -11.999 3.981 9.996) 16.117 9.336 ( 5.023 -33.490 -2.091) 33.929 9.336 ( 5.023 33.490 -2.091) 33.929 9.556 ( -4.933 -12.012 -1.425) 13.063 9.556 ( -4.933 12.012 -1.425) 13.063 9.799 ( 6.294 -11.351 -1.059) 13.023 9.799 ( 6.294 11.351 -1.059) 13.023 10.076 ( -5.808 -4.890 6.191) 9.797 10.076 ( -5.808 4.890 6.191) 9.797 10.458 ( 5.010 -14.758 -2.485) 15.782 10.458 ( 5.010 14.758 -2.485) 15.782 10.648 ( -3.350 -11.467 -1.695) 12.066 10.648 ( -3.350 11.467 -1.695) 12.066 11.057 ( 4.004 -7.099 1.231) 8.243 11.057 ( 4.004 7.099 1.231) 8.243 11.198 ( -2.406 -4.276 2.525) 5.518 11.198 ( -2.406 4.276 2.525) 5.518 12.335 ( 12.889 -5.869 -10.641) 17.715 12.335 ( 12.889 5.869 -10.641) 17.715 12.732 ( -4.847 -5.463 1.957) 7.561 12.732 ( -4.847 5.463 1.957) 7.561 13.113 ( 2.439 -4.019 2.073) 5.137 13.113 ( 2.439 4.019 2.073) 5.137 13.359 ( -4.161 -12.892 -7.683) 15.574 13.359 ( -4.161 12.892 -7.683) 15.574 13.650 ( 0.534 -4.789 1.442) 5.030 13.650 ( 0.534 4.789 1.442) 5.030 13.670 ( -0.727 -5.693 6.380) 8.581 13.670 ( -0.727 5.693 6.380) 8.581 14.137 ( 4.267 -3.544 -0.095) 5.548 14.137 ( 4.267 3.544 -0.095) 5.548 14.373 ( -5.348 -2.851 2.725) 6.645 14.373 ( -5.348 2.851 2.725) 6.645 16.644 ( 0.644 -2.075 -4.154) 4.688 16.644 ( 0.644 2.075 -4.154) 4.688 16.664 ( -0.138 -4.012 -3.270) 5.177 16.664 ( -0.138 4.012 -3.270) 5.177 17.741 ( 6.060 -2.240 0.365) 6.471 17.741 ( 6.060 2.240 0.365) 6.471 17.869 ( 0.664 -8.069 -0.411) 8.107 17.869 ( 0.664 8.069 -0.411) 8.107 18.088 ( 3.178 -3.182 0.572) 4.533 18.088 ( 3.178 3.182 0.572) 4.533 18.350 ( -7.399 -5.312 0.663) 9.132 18.350 ( -7.399 5.312 0.663) 9.132 20.036 ( 6.437 -6.001 0.163) 8.802 20.036 ( 6.437 6.001 0.163) 8.802 20.373 ( -8.836 -10.602 -0.287) 13.805 20.373 ( -8.836 10.602 -0.287) 13.805 27.181 ( 5.545 -0.530 0.455) 5.588 27.181 ( 5.545 0.530 0.455) 5.588 27.396 ( -4.098 -1.505 0.652) 4.414 27.396 ( -4.098 1.505 0.652) 4.414 28.486 ( 3.649 -5.858 0.701) 6.937 28.486 ( 3.649 5.858 0.701) 6.937 28.661 ( -4.288 -7.141 0.211) 8.332 28.661 ( -4.288 7.141 0.211) 8.332 29.626 ( 4.821 -7.826 -2.210) 9.454 29.626 ( 4.821 7.826 -2.210) 9.454 29.804 ( -3.173 -9.769 -2.046) 10.473 29.804 ( -3.173 9.769 -2.046) 10.473 31.753 ( 4.608 -9.305 2.664) 10.720 31.753 ( 4.608 9.305 2.664) 10.720 32.162 ( -15.505 -1.489 3.249) 15.911 32.162 ( -15.505 1.489 3.249) 15.911 34.442 ( 13.010 -5.823 -1.162) 14.301 34.442 ( 13.010 5.823 -1.162) 14.301 34.788 ( -4.424 -4.860 -1.108) 6.664 34.788 ( -4.424 4.860 -1.108) 6.664 107.464 ( 0.471 -0.117 0.281) 0.560 107.464 ( 0.471 0.117 0.281) 0.560 107.483 ( -0.403 -0.165 0.565) 0.713 107.483 ( -0.403 0.165 0.565) 0.713 ======================= Grid point 97 (40/80) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( -6.200 -5.526 -2.115) 8.570 3.598 ( 3.034 -4.820 -2.115) 6.075 3.598 ( -3.034 4.820 -2.115) 6.075 3.598 ( 6.200 5.526 -2.115) 8.570 3.872 ( -6.606 -7.214 0.863) 9.820 3.872 ( -0.894 -6.429 0.863) 6.548 3.872 ( 0.894 6.429 0.863) 6.548 3.872 ( 6.606 7.214 0.863) 9.820 4.274 ( -4.139 -5.163 1.345) 6.752 4.274 ( 2.730 -4.923 1.345) 5.788 4.274 ( -2.730 4.923 1.345) 5.788 4.274 ( 4.139 5.163 1.345) 6.752 5.266 ( -10.871 -18.092 10.383) 23.522 5.266 ( 7.987 -17.712 10.383) 22.030 5.266 ( -7.987 17.712 10.383) 22.030 5.266 ( 10.871 18.092 10.383) 23.522 6.017 ( -2.077 -6.800 -11.663) 13.660 6.017 ( -0.450 -6.724 -11.663) 13.471 6.017 ( 0.450 6.724 -11.663) 13.471 6.017 ( 2.077 6.800 -11.663) 13.660 7.067 ( -1.838 -12.089 -7.339) 14.261 7.067 ( 1.450 -12.076 -7.339) 14.205 7.067 ( -1.450 12.076 -7.339) 14.205 7.067 ( 1.838 12.089 -7.339) 14.261 7.808 ( -2.355 -20.953 4.370) 21.533 7.808 ( 1.902 -20.942 4.370) 21.477 7.808 ( -1.902 20.942 4.370) 21.477 7.808 ( 2.355 20.953 4.370) 21.533 8.136 ( -5.475 -23.055 -0.748) 23.708 8.136 ( 3.189 -22.947 -0.748) 23.180 8.136 ( -3.189 22.947 -0.748) 23.180 8.136 ( 5.475 23.055 -0.748) 23.708 8.569 ( -5.057 -4.305 10.174) 12.150 8.569 ( 1.822 -3.602 10.174) 10.945 8.569 ( -1.822 3.602 10.174) 10.945 8.569 ( 5.057 4.305 10.174) 12.150 9.444 ( -5.408 -28.998 -1.529) 29.538 9.444 ( 5.281 -28.992 -1.529) 29.509 9.444 ( -5.281 28.992 -1.529) 29.509 9.444 ( 5.408 28.998 -1.529) 29.538 9.944 ( -6.542 -6.937 2.741) 9.921 9.944 ( 3.063 -6.306 2.741) 7.527 9.944 ( -3.063 6.306 2.741) 7.527 9.944 ( 6.542 6.937 2.741) 9.921 10.563 ( -4.933 -12.127 -2.422) 13.315 10.563 ( 4.856 -12.120 -2.422) 13.279 10.563 ( -4.856 12.120 -2.422) 13.279 10.563 ( 4.933 12.127 -2.422) 13.315 11.134 ( -3.678 -5.660 1.834) 6.995 11.134 ( 3.634 -5.653 1.834) 6.966 11.134 ( -3.634 5.653 1.834) 6.966 11.134 ( 3.678 5.660 1.834) 6.995 12.576 ( -10.259 -5.629 -7.315) 13.800 12.576 ( 2.004 -2.525 -7.315) 7.994 12.576 ( -2.004 2.525 -7.315) 7.994 12.576 ( 10.259 5.629 -7.315) 13.800 13.226 ( -7.627 -9.449 -0.087) 12.144 13.226 ( 7.223 -9.369 -0.087) 11.831 13.226 ( -7.223 9.369 -0.087) 11.831 13.226 ( 7.627 9.449 -0.087) 12.144 13.660 ( -0.921 -10.419 3.810) 11.132 13.660 ( 0.921 -10.419 3.810) 11.132 13.660 ( -0.921 10.419 3.810) 11.132 13.660 ( 0.921 10.419 3.810) 11.132 14.250 ( -6.159 -3.120 1.474) 7.059 14.250 ( -1.757 -1.010 1.474) 2.506 14.250 ( 1.757 1.010 1.474) 2.506 14.250 ( 6.159 3.120 1.474) 7.059 16.657 ( -0.458 -3.962 -4.059) 5.691 16.657 ( 0.426 -3.961 -4.059) 5.687 16.657 ( -0.426 3.961 -4.059) 5.687 16.657 ( 0.458 3.962 -4.059) 5.691 17.841 ( -1.572 -4.637 -0.595) 4.932 17.841 ( -0.711 -4.584 -0.595) 4.677 17.841 ( 0.711 4.584 -0.595) 4.677 17.841 ( 1.572 4.637 -0.595) 4.932 18.196 ( -6.839 -2.923 1.199) 7.534 18.196 ( -3.734 -0.577 1.199) 3.964 18.196 ( 3.734 0.577 1.199) 3.964 18.196 ( 6.839 2.923 1.199) 7.534 20.191 ( -8.751 -7.512 0.420) 11.541 20.191 ( 8.694 -7.495 0.420) 11.486 20.191 ( -8.694 7.495 0.420) 11.486 20.191 ( 8.751 7.512 0.420) 11.541 27.297 ( -5.612 -1.154 0.438) 5.747 27.297 ( -5.612 1.154 0.438) 5.746 27.297 ( 5.612 -1.154 0.438) 5.746 27.297 ( 5.612 1.154 0.438) 5.747 28.570 ( -4.342 -7.145 0.531) 8.377 28.570 ( 3.805 -7.068 0.531) 8.044 28.570 ( -3.805 7.068 0.531) 8.044 28.570 ( 4.342 7.145 0.531) 8.377 29.724 ( -4.638 -9.262 -2.204) 10.590 29.724 ( 4.626 -9.260 -2.204) 10.583 29.724 ( -4.626 9.260 -2.204) 10.583 29.724 ( 4.638 9.262 -2.204) 10.590 31.900 ( -10.205 -6.262 3.296) 12.418 31.900 ( 8.942 -5.759 3.296) 11.135 31.900 ( -8.942 5.759 3.296) 11.135 31.900 ( 10.205 6.262 3.296) 12.418 34.660 ( -8.492 -6.523 -1.461) 10.807 34.660 ( 7.656 -6.259 -1.461) 9.996 34.660 ( -7.656 6.259 -1.461) 9.996 34.660 ( 8.492 6.523 -1.461) 10.807 107.474 ( -0.336 -0.426 0.409) 0.679 107.474 ( -0.098 -0.394 0.409) 0.576 107.474 ( 0.098 0.394 0.409) 0.576 107.474 ( 0.336 0.426 0.409) 0.679 ======================= Grid point 126 (41/80) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 0.000 31.694) 31.694 1.768 ( 0.000 0.000 38.814) 38.814 2.117 ( 0.000 0.000 5.667) 5.667 2.660 ( 0.000 0.000 46.506) 46.506 3.348 ( 0.000 0.000 6.389) 6.389 3.566 ( 0.000 0.000 -0.667) 0.667 3.648 ( 0.000 0.000 -10.917) 10.917 3.962 ( 0.000 0.000 -8.683) 8.683 4.327 ( 0.000 0.000 6.614) 6.614 4.351 ( 0.000 0.000 6.040) 6.040 4.414 ( 0.000 0.000 -0.643) 0.643 4.493 ( 0.000 0.000 0.410) 0.410 4.500 ( 0.000 0.000 -19.934) 19.934 4.668 ( 0.000 0.000 -4.819) 4.819 4.951 ( 0.000 0.000 6.400) 6.400 4.995 ( 0.000 0.000 0.557) 0.557 5.202 ( 0.000 0.000 11.239) 11.239 5.482 ( 0.000 0.000 2.447) 2.447 5.532 ( 0.000 0.000 3.109) 3.109 5.648 ( 0.000 0.000 -23.443) 23.443 5.872 ( 0.000 0.000 4.027) 4.027 6.235 ( 0.000 0.000 -18.711) 18.711 6.455 ( 0.000 0.000 -19.514) 19.514 6.709 ( 0.000 0.000 -16.489) 16.489 7.071 ( 0.000 0.000 14.007) 14.007 7.396 ( 0.000 0.000 -0.840) 0.840 7.433 ( 0.000 0.000 6.704) 6.704 7.745 ( 0.000 0.000 -4.880) 4.880 7.750 ( 0.000 0.000 6.241) 6.241 7.927 ( 0.000 0.000 5.756) 5.756 8.460 ( 0.000 0.000 9.554) 9.554 8.563 ( 0.000 0.000 4.274) 4.274 8.564 ( 0.000 0.000 -0.177) 0.177 8.673 ( 0.000 0.000 1.307) 1.307 9.164 ( 0.000 0.000 2.983) 2.983 9.258 ( 0.000 0.000 5.390) 5.390 9.376 ( 0.000 0.000 -3.526) 3.526 9.434 ( 0.000 0.000 -7.010) 7.010 9.457 ( 0.000 0.000 -8.450) 8.450 9.744 ( 0.000 0.000 -9.020) 9.020 9.910 ( 0.000 0.000 7.517) 7.517 10.156 ( 0.000 0.000 -4.838) 4.838 10.376 ( 0.000 0.000 -3.384) 3.384 10.400 ( 0.000 0.000 -6.988) 6.988 10.497 ( 0.000 0.000 16.636) 16.636 11.152 ( 0.000 0.000 -7.574) 7.574 11.467 ( 0.000 0.000 3.633) 3.633 11.547 ( 0.000 0.000 8.410) 8.410 11.617 ( 0.000 0.000 -0.996) 0.996 11.886 ( 0.000 0.000 2.392) 2.392 12.023 ( 0.000 0.000 -1.692) 1.692 12.180 ( 0.000 0.000 -10.335) 10.335 12.234 ( 0.000 0.000 0.848) 0.848 12.269 ( 0.000 0.000 -0.275) 0.275 12.295 ( 0.000 0.000 16.333) 16.333 12.834 ( 0.000 0.000 0.308) 0.308 12.862 ( 0.000 0.000 1.059) 1.059 12.931 ( 0.000 0.000 -1.872) 1.872 12.957 ( 0.000 0.000 1.607) 1.607 13.008 ( 0.000 0.000 -0.485) 0.485 13.468 ( 0.000 0.000 -0.324) 0.324 13.690 ( 0.000 0.000 7.707) 7.707 13.802 ( 0.000 0.000 -17.707) 17.707 14.351 ( 0.000 0.000 -11.394) 11.394 14.443 ( 0.000 0.000 2.192) 2.192 14.632 ( 0.000 0.000 -2.514) 2.514 14.777 ( 0.000 0.000 7.664) 7.664 15.264 ( 0.000 0.000 -10.780) 10.780 16.581 ( 0.000 0.000 10.163) 10.163 16.639 ( 0.000 0.000 1.047) 1.047 16.756 ( 0.000 0.000 -0.998) 0.998 16.876 ( 0.000 0.000 3.899) 3.899 17.095 ( 0.000 0.000 -6.222) 6.222 17.156 ( 0.000 0.000 -5.043) 5.043 17.520 ( 0.000 0.000 3.819) 3.819 17.626 ( 0.000 0.000 -0.028) 0.028 17.747 ( 0.000 0.000 -0.354) 0.354 17.852 ( 0.000 0.000 -3.861) 3.861 18.658 ( 0.000 0.000 11.755) 11.755 19.135 ( 0.000 0.000 -4.417) 4.417 19.215 ( 0.000 0.000 -6.360) 6.360 19.324 ( 0.000 0.000 -8.835) 8.835 19.763 ( 0.000 0.000 5.075) 5.075 19.799 ( 0.000 0.000 4.323) 4.323 27.109 ( 0.000 0.000 3.445) 3.445 27.313 ( 0.000 0.000 -2.903) 2.903 27.432 ( 0.000 0.000 5.120) 5.120 27.698 ( 0.000 0.000 3.211) 3.211 28.264 ( 0.000 0.000 4.448) 4.448 28.765 ( 0.000 0.000 1.545) 1.545 28.824 ( 0.000 0.000 -5.717) 5.717 28.946 ( 0.000 0.000 -0.386) 0.386 29.673 ( 0.000 0.000 11.725) 11.725 30.556 ( 0.000 0.000 -11.972) 11.972 30.655 ( 0.000 0.000 1.620) 1.620 30.768 ( 0.000 0.000 3.005) 3.005 30.794 ( 0.000 0.000 -2.334) 2.334 30.964 ( 0.000 0.000 -2.800) 2.800 31.848 ( 0.000 0.000 0.772) 0.772 31.948 ( 0.000 0.000 -2.365) 2.365 34.110 ( 0.000 0.000 11.304) 11.304 34.424 ( 0.000 0.000 1.460) 1.460 34.869 ( 0.000 0.000 -0.981) 0.981 35.187 ( 0.000 0.000 -9.753) 9.753 107.440 ( 0.000 0.000 -0.134) 0.134 107.453 ( 0.000 0.000 -0.343) 0.343 107.527 ( 0.000 0.000 1.633) 1.633 107.599 ( 0.000 0.000 -0.663) 0.663 ======================= Grid point 127 (42/80) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 19.330 0.000 25.573) 32.057 1.858 ( 8.446 0.000 37.623) 38.559 2.245 ( 11.782 0.000 4.555) 12.632 2.993 ( 29.187 0.000 25.787) 38.947 3.253 ( -8.716 0.000 -2.663) 9.113 3.487 ( -6.339 0.000 2.408) 6.781 3.842 ( 16.888 0.000 3.601) 17.268 3.983 ( -9.024 0.000 -5.208) 10.419 4.158 ( -1.428 0.000 0.965) 1.724 4.225 ( -7.254 0.000 -2.865) 7.799 4.281 ( -10.275 0.000 -1.168) 10.341 4.565 ( 6.474 0.000 1.997) 6.775 4.575 ( 3.996 0.000 0.757) 4.067 4.815 ( 6.226 0.000 -4.407) 7.628 4.859 ( -4.972 0.000 1.632) 5.233 5.078 ( 3.479 0.000 -2.470) 4.267 5.232 ( 2.733 0.000 10.357) 10.712 5.427 ( -4.490 0.000 3.952) 5.982 5.582 ( 4.870 0.000 -0.940) 4.960 5.630 ( -0.848 0.000 -19.430) 19.449 5.875 ( 0.436 0.000 1.740) 1.794 6.142 ( -4.690 0.000 -19.238) 19.802 6.531 ( -14.029 0.000 -11.970) 18.441 6.641 ( 11.931 0.000 -14.863) 19.059 7.000 ( -7.721 0.000 15.746) 17.537 7.339 ( -3.029 0.000 -1.343) 3.313 7.603 ( 12.987 0.000 3.046) 13.340 7.728 ( -0.486 0.000 7.470) 7.485 7.802 ( 5.878 0.000 -4.432) 7.361 8.064 ( 8.970 0.000 3.523) 9.637 8.399 ( -5.162 0.000 9.592) 10.893 8.518 ( -4.800 0.000 3.963) 6.224 8.529 ( -3.714 0.000 1.246) 3.917 8.649 ( -2.775 0.000 0.493) 2.818 9.128 ( -4.613 0.000 2.577) 5.284 9.134 ( -5.040 0.000 1.824) 5.360 9.267 ( -12.498 0.000 -2.170) 12.685 9.357 ( -5.184 0.000 -6.998) 8.709 9.576 ( 8.802 0.000 -4.339) 9.813 9.656 ( -18.248 0.000 9.132) 20.406 9.773 ( 2.358 0.000 -7.983) 8.324 9.959 ( -18.554 0.000 -2.744) 18.755 10.179 ( -1.483 0.000 1.003) 1.791 10.565 ( 9.708 0.000 6.407) 11.632 10.828 ( 17.293 0.000 2.352) 17.452 11.223 ( 3.735 0.000 1.765) 4.131 11.471 ( 0.440 0.000 3.525) 3.552 11.502 ( -4.166 0.000 6.451) 7.679 11.597 ( -1.811 0.000 -0.008) 1.811 11.899 ( 1.172 0.000 1.038) 1.566 12.019 ( -0.504 0.000 -2.069) 2.129 12.193 ( -1.510 0.000 -7.748) 7.894 12.208 ( -2.077 0.000 1.042) 2.324 12.251 ( -1.716 0.000 -0.399) 1.762 12.341 ( 7.857 0.000 6.607) 10.266 12.805 ( -2.206 0.000 -0.459) 2.253 12.850 ( 0.548 0.000 -0.342) 0.646 12.852 ( -4.279 0.000 -1.399) 4.502 13.021 ( 3.686 0.000 1.633) 4.032 13.062 ( 3.644 0.000 0.426) 3.668 13.454 ( -1.757 0.000 -7.990) 8.181 13.699 ( 0.115 0.000 3.923) 3.925 13.736 ( -4.401 0.000 -16.795) 17.362 14.235 ( -8.623 0.000 -6.577) 10.845 14.398 ( -6.060 0.000 4.395) 7.486 14.635 ( 0.851 0.000 -4.002) 4.091 14.862 ( 5.391 0.000 5.244) 7.520 15.179 ( -6.496 0.000 -3.872) 7.562 16.431 ( -6.821 0.000 5.897) 9.017 16.645 ( -6.535 0.000 -0.976) 6.607 16.733 ( 5.241 0.000 3.668) 6.397 16.924 ( 4.725 0.000 3.652) 5.972 17.054 ( -3.392 0.000 -4.684) 5.783 17.184 ( 2.684 0.000 -4.599) 5.325 17.503 ( -1.746 0.000 3.150) 3.601 17.578 ( -4.628 0.000 0.299) 4.638 17.934 ( 7.544 0.000 -2.613) 7.983 18.041 ( 16.503 0.000 -8.204) 18.430 18.728 ( 7.752 0.000 10.409) 12.978 19.141 ( 0.523 0.000 -4.447) 4.477 19.210 ( -0.501 0.000 -6.129) 6.149 19.364 ( 2.767 0.000 -8.449) 8.890 19.766 ( 0.357 0.000 5.085) 5.098 19.802 ( 0.197 0.000 4.177) 4.181 27.135 ( 2.451 0.000 3.737) 4.469 27.322 ( 1.297 0.000 -1.149) 1.733 27.419 ( -1.280 0.000 5.358) 5.509 27.680 ( -1.853 0.000 3.352) 3.830 28.287 ( 2.253 0.000 4.274) 4.831 28.708 ( -6.069 0.000 -0.879) 6.132 28.802 ( 0.132 0.000 0.871) 0.881 28.973 ( 0.912 0.000 -2.620) 2.774 29.691 ( 2.027 0.000 12.911) 13.069 30.531 ( -5.449 0.000 -3.365) 6.404 30.662 ( 0.679 0.000 1.701) 1.831 30.759 ( -0.789 0.000 2.893) 2.999 30.804 ( 0.972 0.000 -2.341) 2.534 30.951 ( -1.241 0.000 -2.751) 3.018 31.218 ( -35.526 0.000 17.774) 39.725 31.816 ( -12.886 0.000 -4.783) 13.745 34.464 ( 5.156 0.000 2.035) 5.543 34.602 ( 28.762 0.000 -6.978) 29.596 34.842 ( -2.405 0.000 -0.209) 2.414 35.268 ( 6.416 0.000 -12.502) 14.052 107.441 ( 0.103 0.000 -0.155) 0.187 107.454 ( 0.023 0.000 -0.374) 0.375 107.526 ( -0.036 0.000 1.534) 1.534 107.580 ( -1.504 0.000 0.191) 1.516 ======================= Grid point 128 (43/80) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 16.216 0.000 24.462) 29.349 2.236 ( 25.902 0.000 14.665) 29.765 2.526 ( 14.070 0.000 2.624) 14.312 2.947 ( -20.012 0.000 -7.826) 21.488 3.336 ( -8.534 0.000 6.650) 10.819 3.600 ( -22.798 0.000 4.027) 23.150 3.630 ( 26.836 0.000 4.016) 27.135 4.077 ( -2.035 0.000 -0.896) 2.223 4.130 ( 0.593 0.000 -1.462) 1.577 4.298 ( 19.288 0.000 7.672) 20.757 4.299 ( 3.427 0.000 -3.399) 4.827 4.643 ( 2.474 0.000 -0.237) 2.485 4.685 ( 9.240 0.000 13.051) 15.991 4.768 ( -4.145 0.000 2.708) 4.951 4.840 ( -3.371 0.000 -2.735) 4.341 5.104 ( -0.993 0.000 -8.739) 8.796 5.294 ( 3.016 0.000 7.913) 8.468 5.361 ( -1.366 0.000 4.099) 4.321 5.642 ( 3.755 0.000 -19.259) 19.622 5.734 ( 9.379 0.000 2.073) 9.605 5.904 ( 2.999 0.000 -1.809) 3.502 6.062 ( -3.920 0.000 -17.524) 17.957 6.243 ( -13.497 0.000 -7.766) 15.572 6.614 ( -20.469 0.000 18.183) 27.379 6.945 ( 7.615 0.000 -2.823) 8.121 7.270 ( -5.776 0.000 -3.158) 6.583 7.797 ( 9.054 0.000 5.418) 10.551 7.845 ( 10.552 0.000 1.464) 10.653 7.976 ( 9.500 0.000 -3.728) 10.205 8.177 ( 2.532 0.000 -1.714) 3.057 8.310 ( -4.954 0.000 10.255) 11.388 8.367 ( -9.051 0.000 0.317) 9.056 8.418 ( -6.169 0.000 3.069) 6.890 8.551 ( -6.864 0.000 -0.636) 6.894 9.018 ( -7.405 0.000 1.473) 7.550 9.049 ( -1.403 0.000 1.682) 2.190 9.079 ( -2.051 0.000 1.203) 2.378 9.261 ( -10.177 0.000 14.009) 17.315 9.365 ( -3.619 0.000 -5.591) 6.660 9.645 ( -12.654 0.000 -5.346) 13.737 9.726 ( 5.773 0.000 -4.596) 7.379 9.813 ( 1.120 0.000 -6.463) 6.559 10.221 ( 4.853 0.000 6.839) 8.386 10.549 ( -8.886 0.000 17.626) 19.739 11.202 ( 16.514 0.000 -1.092) 16.550 11.319 ( 6.955 0.000 2.441) 7.371 11.425 ( -1.372 0.000 2.469) 2.825 11.485 ( 0.987 0.000 3.198) 3.347 11.553 ( -2.274 0.000 1.564) 2.760 11.927 ( 1.564 0.000 -1.382) 2.087 11.998 ( -1.576 0.000 -2.931) 3.328 12.028 ( -13.328 0.000 -0.132) 13.328 12.173 ( -0.914 0.000 1.338) 1.620 12.209 ( -2.112 0.000 -0.106) 2.114 12.624 ( 15.860 0.000 -6.199) 17.028 12.765 ( -1.505 0.000 -1.189) 1.918 12.781 ( -2.561 0.000 -1.562) 3.000 12.895 ( 2.367 0.000 -0.544) 2.428 13.090 ( 2.939 0.000 2.430) 3.814 13.119 ( 1.775 0.000 1.684) 2.447 13.421 ( -0.320 0.000 -14.198) 14.202 13.598 ( -6.167 0.000 -19.479) 20.432 13.765 ( 3.600 0.000 -1.418) 3.869 14.028 ( -10.650 0.000 -1.221) 10.720 14.314 ( -1.349 0.000 2.523) 2.861 14.550 ( -8.887 0.000 -1.144) 8.960 14.966 ( 4.610 0.000 2.714) 5.350 15.083 ( -2.760 0.000 1.295) 3.048 16.380 ( 0.883 0.000 -0.277) 0.926 16.524 ( -5.441 0.000 -3.688) 6.573 16.840 ( 5.252 0.000 3.332) 6.220 16.995 ( -2.559 0.000 -0.847) 2.695 17.056 ( 8.064 0.000 2.916) 8.575 17.252 ( 3.450 0.000 -3.195) 4.703 17.442 ( -5.610 0.000 1.560) 5.823 17.462 ( -4.856 0.000 0.922) 4.943 18.077 ( 6.407 0.000 -1.106) 6.502 18.220 ( 1.964 0.000 -4.816) 5.201 18.965 ( 14.147 0.000 4.502) 14.846 19.155 ( 0.900 0.000 -4.578) 4.666 19.196 ( -0.904 0.000 -5.551) 5.624 19.371 ( -3.130 0.000 -5.100) 5.984 19.778 ( 0.750 0.000 4.854) 4.911 19.802 ( -0.180 0.000 4.107) 4.110 27.201 ( 3.924 0.000 4.504) 5.973 27.346 ( -1.276 0.000 3.461) 3.689 27.411 ( 2.944 0.000 3.480) 4.558 27.619 ( -4.274 0.000 3.314) 5.408 28.352 ( 4.038 0.000 4.013) 5.693 28.571 ( -6.779 0.000 2.252) 7.143 28.827 ( 2.168 0.000 0.841) 2.325 28.955 ( -2.631 0.000 -1.702) 3.133 29.766 ( 5.571 0.000 15.583) 16.548 30.221 ( -19.123 0.000 23.365) 30.193 30.682 ( 1.213 0.000 1.931) 2.280 30.738 ( -1.321 0.000 2.619) 2.933 30.832 ( 1.776 0.000 -2.394) 2.980 30.917 ( -2.048 0.000 -2.630) 3.334 30.962 ( 4.476 0.000 -7.275) 8.541 31.496 ( -17.388 0.000 -8.985) 19.572 34.572 ( 5.717 0.000 3.119) 6.512 34.778 ( -3.951 0.000 1.266) 4.149 35.047 ( 15.952 0.000 -10.205) 18.937 35.356 ( 0.810 0.000 -13.870) 13.894 107.444 ( 0.214 0.000 -0.206) 0.297 107.453 ( -0.124 0.000 -0.358) 0.378 107.527 ( 0.176 0.000 1.286) 1.298 107.552 ( -1.154 0.000 0.841) 1.428 ======================= Grid point 129 (44/80) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -22.429 0.000 6.070) 23.236 2.501 ( 22.429 0.000 6.070) 23.236 2.650 ( -8.484 0.000 4.281) 9.503 2.650 ( 8.484 0.000 4.281) 9.503 3.245 ( -5.930 0.000 8.466) 10.336 3.245 ( 5.930 0.000 8.466) 10.336 3.978 ( -8.959 0.000 -2.717) 9.362 3.978 ( 8.959 0.000 -2.717) 9.362 4.236 ( -7.641 0.000 -1.078) 7.716 4.236 ( 7.641 0.000 -1.078) 7.716 4.595 ( -10.715 0.000 3.457) 11.259 4.595 ( 10.715 0.000 3.457) 11.259 4.733 ( -6.096 0.000 -1.797) 6.355 4.733 ( 6.096 0.000 -1.797) 6.355 4.991 ( -12.031 0.000 -0.789) 12.057 4.991 ( 12.031 0.000 -0.789) 12.057 5.341 ( -1.459 0.000 4.680) 4.902 5.341 ( 1.459 0.000 4.680) 4.902 5.802 ( -8.237 0.000 -13.554) 15.861 5.802 ( 8.237 0.000 -13.554) 15.861 6.017 ( -8.559 0.000 -4.659) 9.745 6.017 ( 8.559 0.000 -4.659) 9.745 6.138 ( -18.951 0.000 14.869) 24.088 6.138 ( 18.951 0.000 14.869) 24.088 7.115 ( -8.534 0.000 -2.353) 8.852 7.115 ( 8.534 0.000 -2.353) 8.852 8.027 ( -6.001 0.000 0.008) 6.001 8.027 ( 6.001 0.000 0.008) 6.001 8.066 ( -15.463 0.000 3.625) 15.882 8.066 ( 15.463 0.000 3.625) 15.882 8.246 ( -4.868 0.000 -2.484) 5.465 8.246 ( 4.868 0.000 -2.484) 5.465 8.402 ( -5.998 0.000 0.242) 6.003 8.402 ( 5.998 0.000 0.242) 6.003 9.040 ( -8.077 0.000 11.950) 14.424 9.040 ( 8.077 0.000 11.950) 14.424 9.050 ( -0.950 0.000 1.345) 1.647 9.050 ( 0.950 0.000 1.345) 1.647 9.439 ( -7.735 0.000 -6.411) 10.047 9.439 ( 7.735 0.000 -6.411) 10.047 9.805 ( -2.096 0.000 -5.390) 5.784 9.805 ( 2.096 0.000 -5.390) 5.784 10.358 ( -8.592 0.000 13.989) 16.417 10.358 ( 8.592 0.000 13.989) 16.417 11.337 ( -2.627 0.000 3.569) 4.432 11.337 ( 2.627 0.000 3.569) 4.432 11.512 ( -1.721 0.000 2.607) 3.124 11.512 ( 1.721 0.000 2.607) 3.124 11.696 ( -19.009 0.000 -3.012) 19.246 11.696 ( 19.009 0.000 -3.012) 19.246 11.962 ( -1.853 0.000 -2.919) 3.458 11.962 ( 1.853 0.000 -2.919) 3.458 12.176 ( -1.030 0.000 0.819) 1.316 12.176 ( 1.030 0.000 0.819) 1.316 12.752 ( -0.357 0.000 -1.505) 1.547 12.752 ( 0.357 0.000 -1.505) 1.547 12.865 ( -6.752 0.000 -2.226) 7.110 12.865 ( 6.753 0.000 -2.226) 7.110 13.129 ( -0.796 0.000 2.446) 2.572 13.129 ( 0.796 0.000 2.446) 2.572 13.475 ( -5.531 0.000 -18.375) 19.189 13.475 ( 5.531 0.000 -18.375) 19.189 13.858 ( -6.019 0.000 -2.614) 6.562 13.858 ( 6.019 0.000 -2.614) 6.562 14.368 ( -6.960 0.000 1.322) 7.085 14.368 ( 6.960 0.000 1.322) 7.085 15.037 ( -2.561 0.000 1.807) 3.134 15.037 ( 2.561 0.000 1.807) 3.134 16.431 ( -3.719 0.000 -3.706) 5.250 16.431 ( 3.719 0.000 -3.706) 5.250 16.934 ( -3.865 0.000 2.030) 4.366 16.934 ( 3.865 0.000 2.030) 4.366 17.226 ( -7.622 0.000 1.278) 7.729 17.226 ( 7.622 0.000 1.278) 7.729 17.386 ( -2.763 0.000 -0.254) 2.774 17.386 ( 2.763 0.000 -0.254) 2.774 18.186 ( -4.192 0.000 -1.397) 4.419 18.186 ( 4.192 0.000 -1.397) 4.419 19.176 ( -1.055 0.000 -4.942) 5.053 19.176 ( 1.055 0.000 -4.942) 5.053 19.228 ( -10.821 0.000 -0.281) 10.825 19.228 ( 10.821 0.000 -0.281) 10.825 19.793 ( -0.685 0.000 4.398) 4.451 19.793 ( 0.685 0.000 4.398) 4.451 27.283 ( -4.009 0.000 5.101) 6.488 27.283 ( 4.009 0.000 5.101) 6.488 27.514 ( -5.859 0.000 2.884) 6.530 27.514 ( 5.859 0.000 2.884) 6.530 28.447 ( -5.482 0.000 3.686) 6.606 28.447 ( 5.482 0.000 3.686) 6.606 28.887 ( -3.594 0.000 -0.060) 3.595 28.887 ( 3.594 0.000 -0.060) 3.595 29.924 ( -10.673 0.000 19.847) 22.535 29.924 ( 10.673 0.000 19.847) 22.535 30.709 ( -1.462 0.000 2.264) 2.695 30.709 ( 1.462 0.000 2.264) 2.695 30.873 ( -2.206 0.000 -2.495) 3.331 30.873 ( 2.206 0.000 -2.495) 3.331 31.168 ( -14.277 0.000 -11.091) 18.079 31.168 ( 14.277 0.000 -11.091) 18.079 34.685 ( -5.266 0.000 2.606) 5.875 34.685 ( 5.266 0.000 2.606) 5.875 35.283 ( -7.839 0.000 -11.404) 13.839 35.283 ( 7.839 0.000 -11.404) 13.839 107.449 ( -0.242 0.000 -0.276) 0.367 107.449 ( 0.242 0.000 -0.276) 0.367 107.535 ( -0.599 0.000 1.046) 1.205 107.535 ( 0.599 0.000 1.046) 1.205 ======================= Grid point 133 (45/80) ======================= q-point: ( 0.00 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.000 16.232 27.655) 32.067 1.949 ( 0.000 17.061 33.302) 37.417 2.220 ( 0.000 9.380 4.944) 10.603 2.847 ( 0.000 15.203 22.754) 27.366 3.326 ( 0.000 0.433 2.700) 2.735 3.588 ( 0.000 -3.033 -8.509) 9.033 3.913 ( 0.000 26.874 12.684) 29.717 4.013 ( 0.000 1.095 -10.603) 10.660 4.264 ( 0.000 -9.894 -9.998) 14.066 4.357 ( 0.000 4.319 4.371) 6.145 4.412 ( 0.000 8.750 -0.582) 8.770 4.616 ( 0.000 0.734 5.656) 5.704 4.693 ( 0.000 14.743 -7.286) 16.445 4.857 ( 0.000 11.246 3.532) 11.788 5.032 ( 0.000 19.178 8.041) 20.796 5.165 ( 0.000 5.926 1.666) 6.156 5.316 ( 0.000 9.374 12.098) 15.305 5.463 ( 0.000 16.108 -0.231) 16.109 5.576 ( 0.000 -2.752 -22.257) 22.427 5.827 ( 0.000 17.692 0.336) 17.696 6.056 ( 0.000 14.053 -2.885) 14.346 6.173 ( 0.000 -1.166 -14.117) 14.165 6.425 ( 0.000 -3.103 -17.193) 17.471 6.852 ( 0.000 11.629 -12.511) 17.081 7.050 ( 0.000 -0.824 10.606) 10.638 7.137 ( 0.000 -16.740 6.070) 17.807 7.513 ( 0.000 0.000 1.769) 1.769 7.682 ( 0.000 -1.218 10.344) 10.416 7.728 ( 0.000 -2.896 -2.682) 3.947 7.909 ( 0.000 0.614 -1.548) 1.665 8.341 ( 0.000 -5.895 -1.402) 6.059 8.482 ( 0.000 -7.614 -0.579) 7.636 8.698 ( 0.000 1.988 3.870) 4.350 8.721 ( 0.000 9.900 4.977) 11.081 9.200 ( 0.000 -1.279 2.024) 2.394 9.313 ( 0.000 5.959 -0.284) 5.966 9.350 ( 0.000 -5.017 -3.750) 6.264 9.442 ( 0.000 -4.768 -4.421) 6.502 9.476 ( 0.000 10.633 2.234) 10.865 9.810 ( 0.000 5.835 -7.943) 9.856 9.929 ( 0.000 2.369 8.349) 8.679 10.171 ( 0.000 1.401 -3.655) 3.915 10.320 ( 0.000 -11.797 11.037) 16.155 10.388 ( 0.000 -1.152 -6.287) 6.392 10.459 ( 0.000 2.539 1.852) 3.143 11.016 ( 0.000 -12.370 -5.549) 13.558 11.307 ( 0.000 -24.838 11.223) 27.256 11.371 ( 0.000 -10.210 5.797) 11.741 11.547 ( 0.000 0.072 1.402) 1.404 11.737 ( 0.000 -13.451 3.720) 13.956 11.798 ( 0.000 -9.795 -1.200) 9.868 12.128 ( 0.000 -8.149 5.009) 9.566 12.130 ( 0.000 -6.404 0.120) 6.405 12.331 ( 0.000 -2.235 -16.784) 16.932 12.439 ( 0.000 7.270 5.372) 9.039 12.766 ( 0.000 -3.079 -2.023) 3.684 12.837 ( 0.000 1.509 2.933) 3.298 13.013 ( 0.000 5.515 2.940) 6.250 13.042 ( 0.000 6.152 -2.699) 6.718 13.108 ( 0.000 6.473 3.499) 7.359 13.484 ( 0.000 1.610 0.114) 1.614 13.735 ( 0.000 3.370 5.691) 6.614 13.766 ( 0.000 -3.341 -17.058) 17.382 14.306 ( 0.000 -4.219 -9.966) 10.822 14.432 ( 0.000 -1.347 3.141) 3.418 14.617 ( 0.000 -1.355 -2.467) 2.815 14.680 ( 0.000 -9.113 6.785) 11.361 14.991 ( 0.000 -22.818 0.661) 22.828 16.350 ( 0.000 -7.722 7.438) 10.722 16.562 ( 0.000 -4.633 -1.689) 4.931 16.657 ( 0.000 -1.590 1.091) 1.928 16.878 ( 0.000 -1.113 -1.920) 2.219 17.203 ( 0.000 9.121 1.564) 9.254 17.428 ( 0.000 3.627 1.182) 3.815 17.623 ( 0.000 -0.293 0.211) 0.361 17.753 ( 0.000 17.124 -11.289) 20.511 17.803 ( 0.000 5.174 -0.041) 5.174 17.891 ( 0.000 5.077 -3.226) 6.015 18.568 ( 0.000 -5.405 9.047) 10.539 19.044 ( 0.000 -10.650 -7.418) 12.979 19.348 ( 0.000 13.384 -2.901) 13.695 19.503 ( 0.000 11.860 -5.296) 12.988 19.837 ( 0.000 6.496 3.786) 7.519 20.027 ( 0.000 21.035 -8.327) 22.623 27.105 ( 0.000 -0.454 2.959) 2.993 27.272 ( 0.000 -3.725 -1.408) 3.982 27.438 ( 0.000 0.573 4.682) 4.717 27.678 ( 0.000 -1.984 3.381) 3.920 28.269 ( 0.000 0.555 4.590) 4.623 28.737 ( 0.000 -2.791 1.783) 3.312 28.832 ( 0.000 0.676 -5.892) 5.930 28.871 ( 0.000 -6.714 3.076) 7.385 29.608 ( 0.000 -5.172 8.171) 9.670 30.230 ( 0.000 -29.242 14.402) 32.596 30.248 ( 0.000 -19.756 -8.814) 21.633 30.663 ( 0.000 -14.192 -3.431) 14.601 30.830 ( 0.000 13.364 4.737) 14.179 31.242 ( 0.000 20.041 -7.257) 21.315 32.051 ( 0.000 8.342 1.183) 8.425 32.305 ( 0.000 26.119 -11.507) 28.542 34.094 ( 0.000 -1.473 10.534) 10.636 34.383 ( 0.000 -3.918 1.392) 4.158 34.855 ( 0.000 -1.240 -0.864) 1.511 35.119 ( 0.000 -5.639 -6.424) 8.548 107.442 ( 0.000 0.164 -0.099) 0.191 107.452 ( 0.000 -0.057 -0.247) 0.254 107.524 ( 0.000 -0.250 1.535) 1.555 107.575 ( 0.000 -1.856 0.425) 1.905 ======================= Grid point 134 (46/80) ======================= q-point: ( 0.17 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 12.538 13.275 27.042) 32.630 2.184 ( 17.295 22.455 24.585) 37.520 2.345 ( 11.520 9.202 4.123) 15.310 3.060 ( 19.757 6.975 10.447) 23.412 3.247 ( -6.298 1.371 -0.674) 6.481 3.676 ( 3.135 6.827 -0.933) 7.570 3.924 ( 4.651 16.284 11.931) 20.716 4.069 ( 2.532 -1.451 -10.003) 10.420 4.205 ( -2.376 -3.906 -0.158) 4.575 4.266 ( -5.196 7.300 -1.551) 9.093 4.373 ( -13.241 17.945 3.592) 22.589 4.568 ( 2.252 7.108 -0.046) 7.457 4.695 ( 4.101 -3.639 -5.282) 7.613 4.846 ( -1.931 8.658 5.898) 10.653 5.022 ( -0.760 13.031 7.869) 15.242 5.270 ( 5.911 13.416 0.621) 14.674 5.332 ( 2.019 8.166 10.969) 13.822 5.479 ( 0.999 15.829 0.638) 15.874 5.608 ( 3.108 1.251 -22.688) 22.934 5.797 ( -1.619 15.531 0.830) 15.637 6.020 ( -3.983 10.867 -8.076) 14.113 6.119 ( -1.640 2.551 -9.825) 10.282 6.511 ( 0.753 -2.619 -14.032) 14.294 6.761 ( -3.769 10.605 -7.134) 13.325 7.003 ( -4.764 1.793 10.411) 11.589 7.150 ( 3.404 -15.160 2.739) 15.777 7.510 ( -2.441 -5.534 4.358) 7.455 7.784 ( 8.962 1.363 1.932) 9.268 7.817 ( 4.970 1.440 -0.961) 5.263 7.951 ( 5.470 -8.090 2.755) 10.147 8.297 ( -3.428 -2.474 -1.011) 4.347 8.404 ( -6.682 -8.121 -2.400) 10.788 8.666 ( -3.219 2.646 4.286) 5.978 8.748 ( 1.136 11.163 5.277) 12.399 9.145 ( -4.122 -1.357 1.130) 4.485 9.226 ( -4.806 5.605 1.898) 7.623 9.279 ( -12.513 1.632 -3.904) 13.209 9.334 ( -2.831 -0.197 -3.262) 4.324 9.585 ( 3.638 0.408 2.486) 4.425 9.660 ( -14.838 0.982 4.768) 15.617 9.818 ( -4.486 1.710 -1.856) 5.147 9.950 ( -14.549 1.304 -2.497) 14.819 10.208 ( -1.543 2.741 -0.024) 3.146 10.410 ( 4.941 -12.416 7.311) 15.232 10.808 ( 16.264 -1.762 0.465) 16.366 11.099 ( 5.695 -11.238 2.678) 12.880 11.345 ( -2.347 -10.252 5.298) 11.776 11.377 ( 3.961 -16.948 4.079) 17.876 11.594 ( 2.014 -0.201 0.913) 2.220 11.740 ( 3.996 -13.940 3.207) 14.851 11.837 ( 2.481 -9.187 -1.179) 9.589 12.094 ( -2.308 -8.272 0.124) 8.589 12.138 ( -2.063 -6.437 2.479) 7.200 12.264 ( -2.770 -0.219 -10.956) 11.303 12.438 ( 0.447 5.016 0.674) 5.080 12.741 ( -1.158 -3.657 -2.121) 4.383 12.866 ( 1.092 2.998 1.912) 3.719 13.028 ( 1.349 1.704 2.143) 3.052 13.033 ( -0.325 9.844 -0.525) 9.863 13.125 ( 1.210 5.745 0.896) 5.939 13.476 ( -0.496 1.517 -6.128) 6.332 13.703 ( -4.871 -2.112 -16.560) 17.390 13.738 ( 0.667 2.512 3.457) 4.325 14.205 ( -7.011 -2.974 -6.003) 9.697 14.403 ( -5.438 0.430 4.444) 7.036 14.619 ( 1.254 -1.728 -3.359) 3.980 14.757 ( 4.654 -9.975 4.870) 12.037 14.959 ( -2.316 -19.293 2.253) 19.561 16.344 ( -0.015 -3.796 4.798) 6.118 16.539 ( -2.398 -4.530 -2.229) 5.589 16.681 ( 2.377 -2.354 0.603) 3.399 16.897 ( 1.041 -3.855 -2.742) 4.844 17.177 ( -0.760 10.908 2.356) 11.185 17.391 ( -2.287 7.748 -1.008) 8.142 17.572 ( -4.188 3.705 0.024) 5.591 17.609 ( -4.184 6.906 -0.533) 8.092 17.976 ( 7.016 3.339 -2.074) 8.042 18.086 ( 13.746 3.462 -7.767) 16.163 18.585 ( 2.184 -8.198 8.402) 11.940 19.020 ( -2.238 -11.651 -7.035) 13.793 19.365 ( 2.000 13.716 -1.761) 13.972 19.546 ( 3.119 11.629 -4.154) 12.736 19.838 ( 0.258 6.308 3.608) 7.271 20.013 ( -1.464 19.018 -6.587) 20.180 27.131 ( 2.542 -0.374 3.233) 4.130 27.289 ( 1.898 -3.194 -0.240) 3.723 27.423 ( -1.549 0.423 4.910) 5.166 27.658 ( -2.047 -2.169 3.370) 4.500 28.291 ( 2.104 0.431 4.496) 4.983 28.682 ( -5.576 -2.629 1.288) 6.298 28.792 ( -0.540 -1.088 0.945) 1.539 28.915 ( 1.247 -4.839 -2.110) 5.425 29.622 ( 1.581 -5.502 9.259) 10.886 30.105 ( -7.721 -23.131 12.080) 27.214 30.346 ( 5.262 -22.014 -4.813) 23.140 30.657 ( -0.708 -14.860 -3.778) 15.349 30.843 ( 1.293 13.832 4.616) 14.639 31.243 ( 0.199 20.506 -6.726) 21.582 31.778 ( -32.249 30.432 4.760) 44.596 31.948 ( -11.886 11.059 -0.678) 16.249 34.425 ( 5.441 -3.674 1.867) 6.825 34.537 ( 26.986 -6.047 -5.437) 28.184 34.827 ( -2.434 -1.235 0.070) 2.730 35.181 ( 4.998 -7.252 -8.326) 12.120 107.443 ( 0.124 0.189 -0.118) 0.255 107.453 ( 0.079 -0.009 -0.284) 0.295 107.523 ( -0.063 -0.277 1.451) 1.478 107.563 ( -0.985 -1.372 0.702) 1.829 ======================= Grid point 135 (47/80) ======================= q-point: ( 0.33 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 19.969 11.437 18.623) 29.604 2.531 ( 16.911 21.505 12.176) 29.945 2.621 ( 13.559 8.720 2.233) 16.275 2.997 ( -15.528 5.943 -6.142) 17.724 3.537 ( 7.676 13.238 8.683) 17.594 3.633 ( 7.321 7.596 3.851) 11.230 3.894 ( -20.238 17.918 3.684) 27.280 4.058 ( -1.619 -0.222 -2.461) 2.954 4.129 ( 9.803 2.597 -1.817) 10.303 4.265 ( 4.031 0.929 1.491) 4.397 4.359 ( 5.426 1.044 -0.913) 5.601 4.666 ( 6.525 5.731 5.551) 10.307 4.704 ( -3.661 -2.371 -1.441) 4.594 4.837 ( 0.690 3.137 -3.157) 4.503 5.031 ( 3.342 16.038 8.133) 18.290 5.291 ( -2.861 15.184 0.155) 15.452 5.420 ( 4.837 12.154 5.372) 14.142 5.491 ( 0.503 14.916 4.423) 15.566 5.692 ( 5.154 5.270 -20.117) 21.425 5.836 ( 7.264 11.009 7.837) 15.342 5.922 ( -5.327 0.853 -13.926) 14.934 6.124 ( 1.925 8.958 -6.796) 11.408 6.370 ( -10.191 10.377 -10.588) 17.990 6.628 ( -16.154 2.183 16.240) 23.010 6.970 ( 4.097 3.274 1.022) 5.343 7.267 ( 0.375 0.936 -3.298) 3.448 7.450 ( 3.798 -18.093 5.397) 19.259 7.851 ( -1.276 -11.878 1.409) 12.029 7.921 ( 3.840 -5.529 -4.814) 8.276 8.071 ( 0.175 -11.838 1.246) 11.905 8.280 ( -0.286 -3.117 -0.270) 3.142 8.297 ( 3.222 9.495 -4.929) 11.173 8.572 ( -5.064 5.431 5.862) 9.461 8.722 ( -4.516 13.339 5.320) 15.054 9.017 ( -8.484 0.221 0.874) 8.532 9.097 ( -0.578 1.261 0.750) 1.577 9.152 ( -3.158 4.991 3.597) 6.915 9.283 ( -11.332 3.736 9.285) 15.119 9.316 ( -3.391 -3.973 -3.131) 6.090 9.563 ( -11.397 -7.704 -3.768) 14.263 9.749 ( 4.851 1.797 -0.070) 5.173 9.864 ( -0.736 5.703 -3.495) 6.729 10.236 ( 3.230 1.246 3.213) 4.724 10.411 ( -3.884 -11.564 11.398) 16.695 11.090 ( 11.335 -7.928 -0.066) 13.832 11.205 ( 4.123 -11.091 5.514) 13.054 11.294 ( -2.118 -8.504 4.624) 9.909 11.403 ( -1.611 -12.580 1.482) 12.769 11.616 ( 2.990 -0.110 0.400) 3.018 11.816 ( -0.974 -11.025 1.742) 11.204 11.909 ( 5.122 -4.029 -1.273) 6.640 12.026 ( -4.245 -5.143 -2.807) 7.236 12.070 ( -1.260 -7.544 1.854) 7.870 12.222 ( -3.961 3.996 -3.777) 6.777 12.534 ( 8.496 -4.863 -6.158) 11.565 12.732 ( -0.317 -4.131 -4.268) 5.949 12.855 ( -0.794 6.468 1.589) 6.707 13.009 ( -2.420 0.856 1.594) 3.021 13.083 ( 3.260 6.296 1.850) 7.328 13.143 ( 0.562 2.995 -0.420) 3.076 13.487 ( 1.991 4.276 -12.684) 13.532 13.615 ( -3.405 1.126 -17.426) 17.791 13.778 ( 3.409 1.593 -0.080) 3.764 14.041 ( -8.983 0.904 -2.344) 9.328 14.314 ( -1.792 0.045 3.698) 4.109 14.538 ( -8.436 -1.163 -0.165) 8.517 14.857 ( 4.466 -10.556 2.421) 11.714 14.933 ( -0.403 -14.144 2.771) 14.418 16.363 ( 1.856 -0.919 0.217) 2.082 16.476 ( -3.436 -2.720 -3.417) 5.557 16.746 ( 3.920 -4.889 -0.125) 6.267 16.888 ( -2.014 -6.582 -2.688) 7.390 17.225 ( 5.260 10.628 3.161) 12.272 17.384 ( 1.704 7.779 -1.388) 8.083 17.483 ( -5.362 3.787 1.356) 6.703 17.525 ( -4.140 7.546 0.366) 8.615 18.117 ( 6.483 3.105 -0.618) 7.215 18.254 ( 2.507 2.619 -4.134) 5.499 18.682 ( 7.438 -15.469 3.001) 17.425 18.954 ( -4.424 -14.337 -5.752) 16.069 19.433 ( 4.568 14.616 0.258) 15.316 19.582 ( -0.292 12.306 -1.252) 12.373 19.855 ( 1.580 6.769 2.574) 7.412 19.966 ( -3.111 14.434 -2.671) 15.005 27.200 ( 4.105 -0.125 3.969) 5.711 27.343 ( 1.175 -0.832 2.226) 2.651 27.389 ( 0.576 -1.539 4.323) 4.625 27.593 ( -4.459 -2.504 3.101) 5.981 28.351 ( 3.759 0.061 4.408) 5.794 28.555 ( -6.309 -1.446 3.545) 7.380 28.806 ( 1.624 -1.885 0.477) 2.534 28.905 ( -1.988 -4.243 -1.843) 5.034 29.680 ( 4.288 -6.473 11.300) 13.711 29.940 ( -8.229 -15.319 15.123) 23.046 30.455 ( 5.552 -20.520 -6.972) 22.372 30.628 ( -2.300 -16.876 -4.949) 17.736 30.887 ( 3.361 15.880 4.679) 16.893 31.193 ( -10.446 27.104 3.863) 29.303 31.351 ( -3.280 20.776 -2.657) 21.200 31.684 ( -13.557 13.879 -4.070) 19.824 34.539 ( 6.086 -3.045 2.836) 7.372 34.758 ( -4.109 -1.864 0.551) 4.546 34.973 ( 15.538 -6.985 -9.014) 19.273 35.255 ( 1.013 -8.869 -10.431) 13.729 107.446 ( 0.220 0.222 -0.154) 0.349 107.454 ( -0.055 0.111 -0.283) 0.309 107.524 ( 0.121 -0.357 1.234) 1.291 107.543 ( -0.885 -0.772 0.922) 1.493 ======================= Grid point 136 (48/80) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -19.262 9.337 4.541) 21.883 2.591 ( 19.262 9.337 4.541) 21.883 2.791 ( -4.297 12.407 3.846) 13.682 2.791 ( 4.297 12.407 3.846) 13.682 3.526 ( -7.357 23.420 9.731) 26.406 3.526 ( 7.357 23.420 9.731) 26.406 3.975 ( -9.308 0.268 -1.983) 9.521 3.975 ( 9.308 0.268 -1.983) 9.521 4.249 ( -3.769 1.097 -1.334) 4.146 4.249 ( 3.769 1.097 -1.334) 4.146 4.545 ( -10.576 -1.936 1.061) 10.804 4.545 ( 10.576 -1.936 1.061) 10.804 4.802 ( -4.560 1.689 -4.388) 6.550 4.802 ( 4.560 1.689 -4.388) 6.550 5.174 ( -8.432 15.803 1.413) 17.967 5.174 ( 8.432 15.803 1.413) 17.967 5.489 ( -1.765 15.201 4.210) 15.872 5.489 ( 1.765 15.201 4.210) 15.872 5.807 ( -5.913 -0.100 -15.945) 17.006 5.807 ( 5.913 -0.100 -15.945) 17.006 6.122 ( -16.002 10.483 10.301) 21.727 6.122 ( 16.002 10.483 10.301) 21.727 6.246 ( -10.707 11.377 2.833) 15.878 6.246 ( 10.707 11.377 2.833) 15.878 7.111 ( -9.172 1.064 1.110) 9.300 7.111 ( 9.172 1.064 1.110) 9.300 7.702 ( -13.609 -17.953 0.943) 22.548 7.702 ( 13.609 -17.953 0.943) 22.548 7.989 ( -4.074 -12.746 -7.448) 15.315 7.989 ( 4.074 -12.746 -7.448) 15.315 8.334 ( -3.287 6.421 0.350) 7.222 8.334 ( 3.287 6.421 0.350) 7.222 8.582 ( -7.032 12.823 3.823) 15.116 8.582 ( 7.032 12.823 3.823) 15.116 9.022 ( -7.752 -0.856 10.173) 12.818 9.022 ( 7.752 -0.856 10.173) 12.818 9.120 ( -2.276 3.624 0.847) 4.363 9.120 ( 2.276 3.624 0.847) 4.363 9.380 ( -6.353 -4.185 -4.351) 8.764 9.380 ( 6.353 -4.185 -4.351) 8.764 9.832 ( -2.849 2.925 -1.748) 4.441 9.832 ( 2.849 2.925 -1.748) 4.441 10.316 ( -4.626 -3.979 8.353) 10.344 10.316 ( 4.626 -3.979 8.353) 10.344 11.222 ( -2.566 -12.224 4.545) 13.292 11.222 ( 2.566 -12.224 4.545) 13.292 11.329 ( -5.027 -10.250 1.161) 11.475 11.329 ( 5.027 -10.250 1.161) 11.475 11.725 ( -6.572 -3.619 0.347) 7.511 11.725 ( 6.572 -3.619 0.347) 7.511 11.971 ( -1.659 -5.337 -1.355) 5.751 11.971 ( 1.659 -5.337 -1.355) 5.751 12.120 ( -5.210 0.635 -1.346) 5.418 12.120 ( 5.210 0.635 -1.346) 5.418 12.678 ( -5.080 -4.273 -6.595) 9.357 12.678 ( 5.080 -4.273 -6.595) 9.357 12.918 ( -5.889 1.042 2.041) 6.319 12.918 ( 5.889 1.042 2.041) 6.319 13.137 ( -1.553 3.554 1.109) 4.033 13.137 ( 1.553 3.554 1.109) 4.033 13.550 ( -3.601 4.809 -16.161) 17.241 13.550 ( 3.601 4.809 -16.161) 17.241 13.877 ( -6.577 2.028 -1.602) 7.066 13.877 ( 6.577 2.028 -1.602) 7.066 14.365 ( -6.799 -0.324 1.994) 7.093 14.365 ( 6.799 -0.324 1.994) 7.093 14.918 ( -1.628 -11.636 2.123) 11.939 14.918 ( 1.628 -11.636 2.123) 11.939 16.412 ( -2.857 -1.183 -2.828) 4.191 16.412 ( 2.857 -1.183 -2.828) 4.191 16.827 ( -3.784 -6.641 -1.174) 7.733 16.827 ( 3.784 -6.641 -1.174) 7.733 17.354 ( -6.927 7.026 2.252) 10.120 17.354 ( 6.927 7.026 2.252) 10.120 17.445 ( -3.791 7.599 -0.238) 8.495 17.445 ( 3.791 7.599 -0.238) 8.495 18.226 ( -4.086 3.158 -0.622) 5.201 18.226 ( 4.086 3.158 -0.622) 5.201 18.839 ( -7.111 -16.970 -2.920) 18.630 18.839 ( 7.111 -16.970 -2.920) 18.630 19.530 ( -4.421 14.037 0.818) 14.740 19.530 ( 4.421 14.037 0.818) 14.740 19.902 ( -2.944 9.677 0.572) 10.131 19.902 ( 2.944 9.677 0.572) 10.131 27.286 ( -4.212 0.251 4.600) 6.242 27.286 ( 4.212 0.251 4.600) 6.242 27.485 ( -5.961 -2.719 2.613) 7.054 27.485 ( 5.961 -2.719 2.613) 7.054 28.440 ( -5.107 -0.543 4.344) 6.726 28.440 ( 5.107 -0.543 4.344) 6.726 28.852 ( -2.799 -2.988 -0.616) 4.140 28.852 ( 2.799 -2.988 -0.616) 4.140 29.790 ( -6.531 -9.113 13.509) 17.555 29.790 ( 6.531 -9.113 13.509) 17.555 30.560 ( -4.507 -19.163 -6.539) 20.744 30.560 ( 4.507 -19.163 -6.539) 20.744 30.990 ( -7.351 20.902 5.620) 22.859 30.990 ( 7.351 20.902 5.620) 22.859 31.447 ( -9.193 17.374 -5.917) 20.528 31.447 ( 9.193 17.374 -5.917) 20.528 34.659 ( -5.605 -2.316 2.223) 6.459 34.659 ( 5.605 -2.316 2.223) 6.459 35.196 ( -6.966 -8.070 -9.846) 14.511 35.196 ( 6.966 -8.070 -9.846) 14.511 107.451 ( -0.210 0.205 -0.211) 0.362 107.451 ( 0.210 0.205 -0.211) 0.362 107.530 ( -0.494 -0.492 1.028) 1.243 107.530 ( 0.494 -0.492 1.028) 1.243 ======================= Grid point 140 (49/80) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.000 24.454 16.933) 29.745 2.388 ( 0.000 21.021 16.468) 26.704 2.482 ( 0.000 19.413 8.488) 21.187 3.137 ( 0.000 11.547 -1.031) 11.593 3.371 ( 0.000 2.604 2.067) 3.325 3.576 ( 0.000 1.510 -3.523) 3.833 3.949 ( 0.000 -7.246 -10.749) 12.963 4.067 ( 0.000 -7.098 -7.914) 10.631 4.229 ( 0.000 1.825 8.264) 8.463 4.426 ( 0.000 0.938 1.484) 1.756 4.561 ( 0.000 -3.598 6.788) 7.682 4.747 ( 0.000 5.982 8.736) 10.588 5.037 ( 0.000 11.129 -2.241) 11.353 5.063 ( 0.000 22.958 2.302) 23.073 5.194 ( 0.000 5.938 0.571) 5.965 5.453 ( 0.000 14.314 5.964) 15.507 5.498 ( 0.000 9.819 5.175) 11.099 5.863 ( 0.000 -2.966 -14.372) 14.675 5.907 ( 0.000 38.494 -0.112) 38.494 6.087 ( 0.000 26.224 -0.912) 26.240 6.258 ( 0.000 -6.162 3.463) 7.068 6.357 ( 0.000 5.962 -22.372) 23.153 6.528 ( 0.000 28.754 0.623) 28.761 6.834 ( 0.000 -10.779 10.205) 14.844 7.041 ( 0.000 8.576 12.198) 14.912 7.198 ( 0.000 15.430 -4.315) 16.022 7.582 ( 0.000 10.797 3.724) 11.421 7.681 ( 0.000 2.890 -9.588) 10.014 7.746 ( 0.000 7.111 3.583) 7.963 7.975 ( 0.000 3.394 -7.349) 8.095 8.298 ( 0.000 2.432 -9.374) 9.685 8.310 ( 0.000 -5.683 -11.598) 12.916 8.740 ( 0.000 1.917 6.852) 7.115 8.914 ( 0.000 7.957 6.093) 10.022 9.115 ( 0.000 -4.462 -0.145) 4.465 9.187 ( 0.000 -18.845 5.127) 19.530 9.278 ( 0.000 -4.139 -0.184) 4.143 9.425 ( 0.000 2.315 -0.860) 2.469 9.738 ( 0.000 13.588 1.365) 13.656 9.950 ( 0.000 -20.085 18.086) 27.028 9.951 ( 0.000 6.911 -4.551) 8.275 10.026 ( 0.000 4.340 4.442) 6.211 10.202 ( 0.000 0.747 -2.291) 2.410 10.353 ( 0.000 -2.470 -2.064) 3.219 10.544 ( 0.000 2.886 -2.132) 3.588 10.673 ( 0.000 -21.215 -3.027) 21.430 10.870 ( 0.000 -14.847 11.261) 18.634 11.150 ( 0.000 -9.980 0.927) 10.023 11.392 ( 0.000 -17.721 -0.002) 17.721 11.462 ( 0.000 -9.432 4.280) 10.358 11.484 ( 0.000 -23.719 -2.623) 23.864 11.945 ( 0.000 -10.799 7.252) 13.008 11.954 ( 0.000 -8.107 3.364) 8.778 12.180 ( 0.000 -10.175 -16.046) 19.000 12.602 ( 0.000 9.335 -1.242) 9.417 12.784 ( 0.000 4.394 -7.539) 8.726 12.916 ( 0.000 5.402 3.724) 6.562 13.135 ( 0.000 1.477 -1.329) 1.987 13.144 ( 0.000 6.443 4.826) 8.051 13.201 ( 0.000 3.919 7.433) 8.403 13.537 ( 0.000 3.723 1.083) 3.878 13.679 ( 0.000 -5.023 -14.863) 15.689 13.787 ( 0.000 1.130 2.411) 2.663 14.199 ( 0.000 -5.768 -7.262) 9.274 14.328 ( 0.000 -11.469 7.478) 13.691 14.503 ( 0.000 -4.162 1.755) 4.517 14.504 ( 0.000 -21.976 4.999) 22.537 14.589 ( 0.000 -2.599 -1.351) 2.929 16.348 ( 0.000 4.724 0.551) 4.756 16.508 ( 0.000 -0.652 -4.409) 4.457 16.627 ( 0.000 -1.545 0.626) 1.667 16.825 ( 0.000 -3.762 -4.375) 5.770 17.414 ( 0.000 11.053 4.755) 12.033 17.484 ( 0.000 3.116 2.516) 4.005 17.614 ( 0.000 -0.500 0.619) 0.796 17.898 ( 0.000 3.301 -7.237) 7.955 17.927 ( 0.000 6.188 1.058) 6.278 18.035 ( 0.000 3.520 -3.669) 5.085 18.489 ( 0.000 -2.354 5.355) 5.850 18.828 ( 0.000 -10.331 -5.827) 11.861 19.578 ( 0.000 10.017 1.103) 10.077 19.755 ( 0.000 11.345 -4.305) 12.135 20.006 ( 0.000 10.502 3.997) 11.237 20.452 ( 0.000 16.389 -17.558) 24.018 27.092 ( 0.000 -0.769 1.865) 2.017 27.181 ( 0.000 -4.622 1.130) 4.759 27.452 ( 0.000 0.768 3.423) 3.508 27.620 ( 0.000 -3.573 2.786) 4.531 28.292 ( 0.000 1.763 4.305) 4.652 28.657 ( 0.000 -4.924 1.771) 5.233 28.734 ( 0.000 -5.168 6.329) 8.171 28.844 ( 0.000 0.199 -5.624) 5.627 29.509 ( 0.000 -4.034 2.688) 4.848 29.837 ( 0.000 -10.206 9.606) 14.016 29.867 ( 0.000 -16.998 -6.616) 18.240 30.331 ( 0.000 -16.752 -5.890) 17.757 31.158 ( 0.000 17.465 6.667) 18.694 31.625 ( 0.000 16.008 -7.742) 17.782 32.229 ( 0.000 8.863 5.750) 10.565 32.674 ( 0.000 10.351 -11.221) 15.266 34.058 ( 0.000 -1.821 8.438) 8.632 34.276 ( 0.000 -6.179 1.384) 6.332 34.828 ( 0.000 -1.072 -0.684) 1.271 35.000 ( 0.000 -5.501 -3.043) 6.287 107.446 ( 0.000 0.303 0.008) 0.303 107.453 ( 0.000 0.110 -0.067) 0.129 107.518 ( 0.000 -0.370 1.297) 1.349 107.541 ( 0.000 -1.407 1.057) 1.760 ======================= Grid point 141 (50/80) ======================= q-point: ( 0.17 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 10.690 25.041 16.529) 31.852 2.563 ( 12.855 13.257 4.181) 18.933 2.677 ( 17.484 24.242 14.533) 33.235 3.245 ( 10.340 9.987 -3.198) 14.727 3.321 ( -2.458 4.606 0.246) 5.226 3.719 ( 12.198 0.914 -0.093) 12.232 3.980 ( 1.530 -6.936 -10.454) 12.638 4.069 ( 0.063 -4.557 -2.527) 5.211 4.259 ( 2.243 3.291 5.978) 7.183 4.350 ( -5.864 3.209 2.230) 7.046 4.548 ( -1.216 -5.395 5.002) 7.457 4.682 ( -6.651 3.993 8.450) 11.471 4.964 ( -3.237 17.267 -8.119) 19.353 5.108 ( -3.415 19.657 2.220) 20.074 5.160 ( 2.607 8.353 8.822) 12.426 5.496 ( 1.686 8.849 -5.831) 10.731 5.545 ( 5.499 15.563 14.524) 21.986 5.777 ( -2.623 3.974 -13.969) 14.758 5.943 ( -1.362 14.422 -4.556) 15.186 6.076 ( -1.239 24.241 1.761) 24.336 6.288 ( 2.836 10.883 -0.769) 11.273 6.412 ( 2.940 7.529 -15.156) 17.176 6.439 ( -6.658 13.601 0.122) 15.144 6.841 ( 2.029 -5.215 7.801) 9.601 7.019 ( -1.214 11.440 10.156) 15.346 7.251 ( 2.886 23.376 -6.111) 24.333 7.513 ( -4.006 7.588 -0.047) 8.581 7.740 ( 4.778 -5.917 1.172) 7.695 7.807 ( 2.433 2.999 0.027) 3.862 7.903 ( -7.128 3.729 -6.908) 10.603 8.221 ( -5.636 -6.892 -6.701) 11.143 8.391 ( 7.591 9.803 -10.911) 16.516 8.703 ( -2.740 0.923 7.960) 8.468 8.954 ( 1.703 6.041 6.512) 9.044 9.067 ( -2.890 -4.041 -0.727) 5.021 9.196 ( -3.453 -12.815 1.575) 13.365 9.222 ( -3.027 -3.475 3.020) 5.510 9.371 ( -4.554 0.469 0.697) 4.631 9.628 ( -15.124 -3.662 1.587) 15.642 9.683 ( -16.932 2.386 6.824) 18.410 9.785 ( -4.485 2.632 3.842) 6.466 10.069 ( 0.839 6.244 0.358) 6.310 10.200 ( -1.446 -4.495 1.311) 4.900 10.281 ( -1.933 4.155 -1.121) 4.717 10.755 ( 11.201 -4.603 -1.201) 12.169 10.795 ( 8.710 -18.044 3.337) 20.313 10.982 ( 7.732 -19.150 5.531) 21.380 11.122 ( -2.187 -10.629 1.391) 10.940 11.361 ( -0.833 -20.019 -0.993) 20.060 11.493 ( 3.066 -11.477 4.362) 12.654 11.559 ( 5.044 -19.680 -1.555) 20.375 11.874 ( -3.406 -11.457 5.664) 13.227 12.034 ( 2.773 -4.513 1.457) 5.494 12.187 ( 3.491 -7.048 -12.850) 15.066 12.559 ( -4.420 7.026 -2.910) 8.796 12.760 ( -1.867 6.305 -5.884) 8.823 12.959 ( 2.987 5.101 3.157) 6.701 13.025 ( -4.538 -0.255 2.586) 5.230 13.208 ( 0.373 4.475 3.146) 5.483 13.251 ( 3.782 6.687 0.597) 7.706 13.493 ( -2.252 0.410 -3.936) 4.554 13.654 ( -1.564 -2.088 -10.989) 11.294 13.792 ( 0.628 1.939 1.370) 2.455 14.125 ( -3.917 -4.409 -3.827) 7.030 14.401 ( -3.975 -3.485 6.220) 8.163 14.461 ( 5.496 -15.132 1.384) 16.158 14.518 ( 0.202 -16.913 3.531) 17.279 14.608 ( 0.075 -4.030 0.088) 4.031 16.357 ( 0.885 4.164 0.006) 4.257 16.495 ( -1.329 -0.125 -4.166) 4.375 16.637 ( 1.010 -2.005 -0.642) 2.335 16.812 ( -1.359 -4.413 -4.345) 6.340 17.401 ( -0.238 10.324 3.594) 10.934 17.510 ( 1.888 6.419 2.455) 7.127 17.607 ( -0.885 1.488 0.476) 1.795 17.790 ( -4.633 7.709 -3.277) 9.573 18.042 ( 6.076 2.766 -0.976) 6.747 18.120 ( 7.308 -1.084 -3.720) 8.272 18.470 ( -1.836 -3.236 5.176) 6.374 18.790 ( -3.681 -10.740 -5.572) 12.647 19.607 ( 2.953 10.557 1.765) 11.103 19.795 ( 3.402 11.669 -3.114) 12.547 19.997 ( -0.709 9.510 3.628) 10.203 20.398 ( -5.113 15.156 -14.079) 21.308 27.120 ( 2.736 -0.668 2.059) 3.489 27.208 ( 2.773 -4.190 1.349) 5.203 27.434 ( -1.823 0.664 3.491) 3.994 27.597 ( -2.327 -3.670 2.615) 5.072 28.311 ( 1.894 1.717 4.372) 5.064 28.615 ( -3.660 -3.246 3.326) 5.916 28.737 ( 0.375 -4.214 3.845) 5.717 28.842 ( -0.469 -1.774 -4.910) 5.242 29.517 ( 1.150 -4.167 3.666) 5.668 29.791 ( -2.843 -8.516 7.274) 11.555 29.942 ( 5.362 -17.410 -5.177) 18.938 30.316 ( -1.539 -16.942 -6.246) 18.122 31.178 ( 2.212 17.691 6.620) 19.018 31.624 ( 0.181 15.573 -6.921) 17.043 32.141 ( -8.611 10.518 4.068) 14.189 32.296 ( -27.276 17.110 -0.109) 32.199 34.327 ( 6.479 -5.554 1.513) 8.667 34.385 ( 21.327 -8.069 -1.907) 22.882 34.802 ( -2.393 -1.013 0.095) 2.600 35.027 ( 2.111 -7.127 -3.958) 8.421 107.448 ( 0.185 0.349 -0.000) 0.395 107.455 ( 0.182 0.156 -0.089) 0.256 107.516 ( -0.142 -0.420 1.240) 1.317 107.536 ( -0.450 -1.228 1.018) 1.657 ======================= Grid point 142 (51/80) ======================= q-point: ( 0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 17.332 22.781 11.807) 30.964 2.847 ( 13.233 13.028 1.168) 18.606 2.978 ( 10.413 21.459 6.467) 24.713 3.195 ( -7.489 12.830 -2.406) 15.049 3.629 ( 21.256 2.514 -0.396) 21.407 3.955 ( 3.813 9.872 5.505) 11.929 3.964 ( -0.804 -2.785 -2.471) 3.809 4.058 ( -0.015 1.031 3.732) 3.872 4.208 ( -2.051 0.520 2.807) 3.515 4.339 ( 1.123 -0.998 1.526) 2.141 4.491 ( -2.630 7.993 1.074) 8.482 4.607 ( 0.578 -6.015 3.818) 7.148 4.894 ( -5.792 18.308 -4.730) 19.776 4.971 ( -5.530 9.218 -1.042) 10.800 5.285 ( 7.085 12.012 6.074) 15.211 5.492 ( -2.078 7.460 -5.796) 9.673 5.653 ( 3.636 8.708 -5.215) 10.782 5.801 ( 2.173 -3.047 -13.653) 14.157 5.910 ( 0.993 17.342 -1.159) 17.409 6.035 ( -1.369 16.966 9.075) 19.289 6.241 ( -7.812 11.989 5.190) 15.221 6.335 ( -1.326 12.160 -5.057) 13.236 6.522 ( 7.329 12.531 0.736) 14.536 6.874 ( -1.382 20.908 5.556) 21.678 7.059 ( 5.844 -0.857 4.116) 7.199 7.265 ( -0.428 20.187 -6.706) 21.276 7.471 ( -2.008 11.977 4.190) 12.846 7.678 ( -11.203 0.405 -6.530) 12.974 7.752 ( -4.895 -14.261 -5.885) 16.186 7.808 ( -3.486 -4.244 -3.930) 6.753 8.215 ( 7.060 -1.606 2.761) 7.749 8.542 ( 1.760 8.467 -3.299) 9.256 8.675 ( 3.512 6.136 6.236) 9.427 8.931 ( -2.701 0.171 9.779) 10.147 8.990 ( -8.125 0.705 1.807) 8.353 9.059 ( -1.976 -3.643 -0.726) 4.207 9.192 ( -9.819 -6.172 7.383) 13.749 9.209 ( -5.877 -3.742 4.901) 8.518 9.360 ( -3.618 -3.930 -3.239) 6.247 9.452 ( -8.116 5.131 -2.972) 10.051 9.799 ( 4.470 4.259 4.986) 7.936 10.036 ( -3.835 8.293 2.032) 9.360 10.186 ( 0.625 -6.874 -0.713) 6.939 10.265 ( -0.917 1.554 -2.990) 3.492 10.895 ( 2.718 -14.580 6.692) 16.271 10.916 ( 2.960 -11.963 3.116) 12.712 11.078 ( 1.357 -15.676 2.796) 15.981 11.101 ( 0.986 -15.425 -0.481) 15.464 11.400 ( 4.288 -18.748 1.046) 19.261 11.539 ( 0.268 -16.167 3.856) 16.623 11.649 ( 3.744 -16.899 -0.023) 17.309 11.796 ( -4.187 -13.114 3.596) 14.228 12.098 ( 5.091 2.984 -2.894) 6.572 12.312 ( 3.970 1.372 -8.228) 9.238 12.462 ( -1.342 -0.875 -6.119) 6.325 12.714 ( -3.279 3.081 -6.130) 7.604 12.952 ( -2.386 -1.038 -0.679) 2.689 12.983 ( -1.739 5.010 3.827) 6.539 13.210 ( 1.467 3.172 -1.589) 3.840 13.289 ( 0.164 9.719 2.761) 10.104 13.517 ( 3.687 -1.161 -8.025) 8.908 13.629 ( -1.090 -0.200 -8.914) 8.983 13.832 ( 3.804 3.036 -0.048) 4.867 14.055 ( -3.825 0.578 -3.086) 4.948 14.305 ( -2.644 -2.316 6.086) 7.029 14.486 ( -4.650 -6.516 2.606) 8.418 14.567 ( 3.324 -16.335 1.812) 16.768 14.593 ( -0.161 -13.669 2.368) 13.874 16.381 ( 1.418 2.906 -1.405) 3.525 16.458 ( -2.184 0.910 -3.830) 4.502 16.668 ( 2.051 -3.085 -2.771) 4.626 16.772 ( -2.516 -4.874 -4.273) 6.953 17.423 ( 2.305 8.960 1.969) 9.459 17.532 ( -1.021 7.533 -1.123) 7.684 17.596 ( 1.440 7.425 3.067) 8.161 17.722 ( -2.789 9.787 -0.636) 10.196 18.164 ( 5.969 0.843 0.114) 6.029 18.278 ( 6.511 -2.153 -3.114) 7.532 18.429 ( -0.801 -8.291 3.833) 9.169 18.684 ( -6.704 -11.891 -4.664) 14.425 19.692 ( 5.151 11.439 3.133) 12.930 19.846 ( 0.167 13.627 0.896) 13.657 20.006 ( 2.793 7.099 0.592) 7.652 20.264 ( -7.642 12.387 -7.683) 16.458 27.195 ( 4.504 -0.353 2.603) 5.214 27.292 ( 5.352 -3.523 1.531) 6.588 27.379 ( -3.546 0.254 3.547) 5.022 27.526 ( -4.657 -3.778 2.166) 6.376 28.364 ( 3.280 1.516 4.568) 5.824 28.529 ( -4.569 -0.574 4.468) 6.416 28.751 ( 1.106 -3.698 0.783) 3.939 28.820 ( -1.674 -3.542 -3.429) 5.206 29.563 ( 3.381 -4.353 5.305) 7.650 29.725 ( -3.781 -6.112 7.377) 10.299 30.061 ( 6.135 -17.723 -6.968) 20.007 30.266 ( -3.464 -17.320 -7.025) 19.009 31.257 ( 5.955 18.691 6.705) 20.731 31.646 ( 1.560 15.865 -3.792) 16.386 31.778 ( -19.485 20.321 4.963) 28.587 31.957 ( -10.686 12.202 1.094) 16.257 34.462 ( 7.294 -4.074 2.051) 8.602 34.701 ( -0.212 -4.471 -3.447) 5.649 34.798 ( 10.340 -8.235 -2.939) 13.541 35.053 ( -0.296 -9.953 -5.677) 11.462 107.453 ( 0.257 0.428 -0.002) 0.499 107.458 ( 0.102 0.310 -0.092) 0.339 107.514 ( -0.027 -0.572 1.088) 1.230 107.525 ( -0.526 -0.946 0.935) 1.430 ======================= Grid point 143 (52/80) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -12.812 17.709 2.504) 22.000 2.875 ( 12.812 17.709 2.504) 22.000 3.101 ( -2.560 17.236 3.597) 17.792 3.101 ( 2.560 17.236 3.597) 17.792 3.862 ( -4.856 3.699 -0.657) 6.139 3.862 ( 4.856 3.699 -0.657) 6.139 4.049 ( -4.473 6.279 7.942) 11.069 4.049 ( 4.473 6.279 7.942) 11.069 4.284 ( -8.030 1.871 1.893) 8.459 4.284 ( 8.030 1.871 1.893) 8.459 4.547 ( -7.638 0.741 1.819) 7.886 4.547 ( 7.638 0.741 1.819) 7.886 4.868 ( -5.111 8.837 -5.220) 11.466 4.868 ( 5.111 8.837 -5.220) 11.466 5.415 ( -5.517 8.634 -0.872) 10.283 5.415 ( 5.517 8.634 -0.872) 10.283 5.736 ( -5.487 -0.449 -17.355) 18.207 5.736 ( 5.487 -0.449 -17.355) 18.207 5.992 ( -4.218 21.058 1.360) 21.519 5.992 ( 4.218 21.058 1.360) 21.519 6.236 ( -6.381 0.543 9.684) 11.610 6.236 ( 6.381 0.543 9.684) 11.610 6.737 ( -11.746 34.218 8.920) 37.262 6.737 ( 11.746 34.218 8.920) 37.262 7.193 ( -7.288 3.303 -0.789) 8.040 7.193 ( 7.288 3.303 -0.789) 8.040 7.490 ( -8.043 3.391 -5.516) 10.326 7.490 ( 8.043 3.391 -5.516) 10.326 7.724 ( -3.371 -8.560 -7.206) 11.686 7.724 ( 3.371 -8.560 -7.206) 11.686 8.416 ( -10.434 1.608 5.686) 11.991 8.416 ( 10.434 1.608 5.686) 11.991 8.814 ( -7.375 7.025 5.120) 11.400 8.814 ( 7.375 7.025 5.120) 11.400 8.973 ( -7.029 -6.879 7.099) 12.129 8.973 ( 7.029 -6.879 7.099) 12.129 9.117 ( -5.506 0.485 0.143) 5.529 9.117 ( 5.506 0.485 0.143) 5.529 9.355 ( -2.267 0.687 -3.394) 4.138 9.355 ( 2.267 0.687 -3.394) 4.138 9.923 ( -6.847 5.127 3.635) 9.294 9.923 ( 6.847 5.127 3.635) 9.294 10.225 ( -2.677 -2.935 -3.053) 5.010 10.225 ( 2.677 -2.935 -3.053) 5.010 10.924 ( -0.920 -14.558 5.761) 15.684 10.924 ( 0.920 -14.558 5.761) 15.684 11.104 ( -1.011 -14.705 0.808) 14.762 11.104 ( 1.011 -14.705 0.808) 14.762 11.494 ( -4.196 -18.068 3.334) 18.846 11.494 ( 4.196 -18.068 3.334) 18.846 11.719 ( -3.480 -14.367 1.578) 14.866 11.719 ( 3.480 -14.367 1.578) 14.866 12.229 ( -7.189 6.084 -4.640) 10.498 12.229 ( 7.189 6.084 -4.640) 10.498 12.592 ( -8.624 -4.503 -9.201) 13.391 12.592 ( 8.624 -4.503 -9.201) 13.391 12.941 ( -1.439 3.188 0.908) 3.614 12.941 ( 1.439 3.188 0.908) 3.614 13.262 ( -2.614 6.775 1.804) 7.483 13.262 ( 2.614 6.775 1.804) 7.483 13.591 ( -3.021 -0.924 -9.332) 9.852 13.591 ( 3.021 -0.924 -9.332) 9.852 13.943 ( -6.625 3.792 -0.568) 7.655 13.943 ( 6.625 3.792 -0.568) 7.655 14.353 ( -6.530 -1.086 3.209) 7.356 14.353 ( 6.530 -1.086 3.209) 7.356 14.599 ( -0.193 -17.894 2.482) 18.066 14.599 ( 0.193 -17.894 2.482) 18.066 16.415 ( -1.973 1.824 -2.961) 3.999 16.415 ( 1.973 1.824 -2.961) 3.999 16.717 ( -2.739 -4.256 -3.965) 6.429 16.717 ( 2.739 -4.256 -3.965) 6.429 17.481 ( -3.131 7.078 -0.003) 7.739 17.481 ( 3.131 7.078 -0.003) 7.739 17.658 ( -3.627 11.044 1.772) 11.758 17.658 ( 3.627 11.044 1.772) 11.758 18.275 ( -4.582 0.773 0.991) 4.752 18.275 ( 4.582 0.773 0.991) 4.752 18.529 ( -8.263 -13.245 -2.687) 15.841 18.529 ( 8.263 -13.245 -2.687) 15.841 19.795 ( -4.473 12.527 3.541) 13.765 19.795 ( 4.473 12.527 3.541) 13.765 20.112 ( -7.000 9.241 -3.133) 12.008 20.112 ( 7.000 9.241 -3.133) 12.008 27.291 ( -4.726 0.141 3.175) 5.696 27.291 ( 4.726 0.141 3.175) 5.696 27.415 ( -6.087 -3.767 1.776) 7.375 27.415 ( 6.087 -3.767 1.776) 7.375 28.440 ( -4.184 0.926 4.701) 6.361 28.440 ( 4.184 0.926 4.701) 6.361 28.782 ( -1.870 -3.777 -1.552) 4.491 28.782 ( 1.870 -3.777 -1.552) 4.491 29.643 ( -4.245 -4.865 6.563) 9.206 29.643 ( 4.245 -4.865 6.563) 9.206 30.177 ( -5.282 -17.583 -7.483) 19.825 30.177 ( 5.282 -17.583 -7.483) 19.825 31.434 ( -12.052 20.752 7.043) 25.010 31.434 ( 12.052 20.752 7.043) 25.010 31.768 ( -7.598 13.390 -2.241) 15.558 31.768 ( 7.598 13.390 -2.241) 15.558 34.604 ( -6.489 -2.630 1.209) 7.105 34.604 ( 6.489 -2.630 1.209) 7.105 34.991 ( -6.301 -11.171 -6.647) 14.446 34.991 ( 6.301 -11.171 -6.647) 14.446 107.458 ( -0.149 0.442 -0.032) 0.467 107.458 ( 0.149 0.442 -0.032) 0.467 107.516 ( -0.305 -0.756 0.940) 1.244 107.516 ( 0.305 -0.756 0.940) 1.244 ======================= Grid point 147 (53/80) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 0.000 26.297 4.469) 26.675 2.703 ( 0.000 14.102 -0.479) 14.110 3.027 ( 0.000 27.687 10.293) 29.538 3.236 ( 0.000 -4.819 -5.438) 7.267 3.431 ( 0.000 6.330 2.162) 6.689 3.610 ( 0.000 0.609 1.670) 1.777 3.721 ( 0.000 -14.538 -6.713) 16.013 3.940 ( 0.000 -7.700 -3.419) 8.424 4.223 ( 0.000 0.054 8.025) 8.025 4.384 ( 0.000 -4.578 1.279) 4.754 4.508 ( 0.000 -0.791 9.154) 9.188 4.670 ( 0.000 -7.481 10.816) 13.151 5.153 ( 0.000 6.617 6.953) 9.599 5.268 ( 0.000 3.547 -14.595) 15.020 5.367 ( 0.000 4.148 -12.434) 13.108 5.585 ( 0.000 -2.311 2.771) 3.608 5.777 ( 0.000 -2.274 -10.851) 11.087 5.854 ( 0.000 -5.810 3.190) 6.628 6.311 ( 0.000 23.005 12.339) 26.105 6.390 ( 0.000 4.184 6.285) 7.550 6.485 ( 0.000 20.631 -7.549) 21.969 6.690 ( 0.000 20.072 -2.551) 20.233 6.861 ( 0.000 23.380 14.802) 27.672 6.946 ( 0.000 10.407 -4.304) 11.262 7.270 ( 0.000 -6.252 -0.322) 6.260 7.545 ( 0.000 35.414 2.244) 35.485 7.637 ( 0.000 -3.046 -2.458) 3.914 7.840 ( 0.000 -10.147 0.687) 10.171 8.115 ( 0.000 23.572 -11.063) 26.039 8.252 ( 0.000 37.605 0.256) 37.606 8.429 ( 0.000 9.044 -9.680) 13.248 8.444 ( 0.000 15.860 -12.251) 20.041 8.666 ( 0.000 -18.677 9.527) 20.966 8.790 ( 0.000 -1.416 -1.435) 2.016 8.907 ( 0.000 -8.148 2.697) 8.583 9.079 ( 0.000 -7.095 -4.874) 8.608 9.257 ( 0.000 2.730 5.451) 6.096 9.411 ( 0.000 -0.320 -1.377) 1.414 9.509 ( 0.000 -18.188 14.060) 22.989 9.925 ( 0.000 -22.075 -3.055) 22.285 9.996 ( 0.000 10.046 -1.137) 10.110 10.055 ( 0.000 -5.493 7.309) 9.143 10.111 ( 0.000 -7.639 -1.766) 7.840 10.244 ( 0.000 -12.681 -0.920) 12.715 10.323 ( 0.000 0.077 4.239) 4.239 10.534 ( 0.000 0.895 3.609) 3.719 10.798 ( 0.000 -0.119 0.227) 0.256 10.907 ( 0.000 -23.407 -1.585) 23.461 10.982 ( 0.000 -7.804 -0.943) 7.861 11.144 ( 0.000 -4.483 1.934) 4.882 11.224 ( 0.000 -10.738 3.218) 11.210 11.685 ( 0.000 -15.767 9.981) 18.661 11.835 ( 0.000 -2.872 1.626) 3.301 11.974 ( 0.000 -8.789 -9.853) 13.203 12.802 ( 0.000 9.625 -3.166) 10.133 12.912 ( 0.000 7.158 -8.401) 11.037 13.016 ( 0.000 3.561 -0.857) 3.663 13.096 ( 0.000 -4.229 3.298) 5.363 13.259 ( 0.000 4.853 3.669) 6.083 13.293 ( 0.000 4.580 2.852) 5.395 13.576 ( 0.000 -4.381 -7.808) 8.953 13.638 ( 0.000 6.316 2.508) 6.796 13.743 ( 0.000 -6.639 2.218) 7.000 14.078 ( 0.000 -11.237 -0.220) 11.239 14.090 ( 0.000 -7.746 3.590) 8.538 14.110 ( 0.000 -10.354 -0.734) 10.380 14.481 ( 0.000 0.591 1.431) 1.548 14.547 ( 0.000 -2.012 -0.437) 2.059 16.477 ( 0.000 7.086 -2.064) 7.380 16.521 ( 0.000 1.451 -4.863) 5.075 16.594 ( 0.000 -1.671 -0.925) 1.910 16.735 ( 0.000 -5.051 -3.717) 6.271 17.550 ( 0.000 2.933 1.700) 3.390 17.603 ( 0.000 -0.127 0.589) 0.602 17.638 ( 0.000 10.264 3.353) 10.798 17.940 ( 0.000 -0.843 -6.131) 6.189 18.028 ( 0.000 3.383 1.431) 3.673 18.038 ( 0.000 -0.586 1.360) 1.481 18.467 ( 0.000 0.149 2.300) 2.305 18.635 ( 0.000 -8.309 -3.513) 9.021 19.763 ( 0.000 7.931 0.782) 7.970 19.899 ( 0.000 2.707 -3.386) 4.335 20.275 ( 0.000 14.746 3.061) 15.061 20.631 ( 0.000 1.481 -10.721) 10.823 27.076 ( 0.000 -0.639 1.055) 1.233 27.104 ( 0.000 -2.722 1.805) 3.266 27.469 ( 0.000 0.899 1.671) 1.897 27.546 ( 0.000 -3.292 1.082) 3.465 28.344 ( 0.000 3.481 3.048) 4.627 28.545 ( 0.000 -5.775 1.537) 5.976 28.693 ( 0.000 1.056 3.756) 3.902 28.825 ( 0.000 -2.351 -4.133) 4.755 29.453 ( 0.000 -1.400 -0.911) 1.670 29.586 ( 0.000 -10.084 -4.308) 10.965 29.748 ( 0.000 0.279 2.499) 2.515 30.025 ( 0.000 -12.778 -5.333) 13.846 31.499 ( 0.000 15.352 6.584) 16.704 31.826 ( 0.000 2.782 -2.751) 3.913 32.429 ( 0.000 11.061 3.894) 11.726 32.758 ( 0.000 -1.304 -6.520) 6.650 34.034 ( 0.000 -0.206 5.724) 5.728 34.150 ( 0.000 -5.714 1.902) 6.023 34.820 ( 0.000 0.331 -0.754) 0.824 34.904 ( 0.000 -3.843 -1.771) 4.231 107.453 ( 0.000 0.315 0.162) 0.354 107.456 ( 0.000 0.176 0.121) 0.213 107.511 ( 0.000 -0.266 1.033) 1.067 107.519 ( 0.000 -0.772 0.976) 1.244 ======================= Grid point 148 (54/80) ======================= q-point: ( 0.17 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 9.952 23.450 3.685) 25.739 2.850 ( 12.468 16.603 0.820) 20.780 3.183 ( 11.963 22.689 7.695) 26.779 3.321 ( 9.013 -2.453 -2.473) 9.663 3.474 ( 4.515 10.183 -0.552) 11.153 3.714 ( 9.051 -2.425 2.980) 9.832 3.771 ( 5.040 -12.773 -7.334) 15.567 3.996 ( 5.095 -4.652 -2.351) 7.289 4.235 ( 1.577 -2.469 6.603) 7.224 4.346 ( -3.967 -3.576 2.278) 5.806 4.460 ( -3.799 -1.385 8.259) 9.196 4.633 ( -3.919 -6.485 9.783) 12.374 5.110 ( -3.362 7.378 7.220) 10.856 5.325 ( 4.340 4.069 -11.782) 13.199 5.407 ( 3.784 6.132 -12.718) 14.617 5.605 ( 0.750 -1.058 4.008) 4.213 5.728 ( -3.847 -2.733 -11.270) 12.218 5.846 ( -1.042 -5.614 1.439) 5.888 6.233 ( -12.667 8.824 5.346) 16.337 6.298 ( -1.421 16.965 10.970) 20.252 6.448 ( -4.072 14.289 -1.620) 14.946 6.659 ( -5.453 8.484 -12.053) 15.716 6.828 ( 4.812 24.074 3.980) 24.871 7.044 ( 5.253 16.276 3.169) 17.394 7.387 ( 7.434 -4.811 0.423) 8.865 7.479 ( -5.092 18.668 -4.510) 19.868 7.625 ( -1.133 10.908 2.855) 11.333 7.878 ( 3.886 -4.144 5.632) 8.000 8.026 ( -7.282 26.310 -7.950) 28.433 8.240 ( -7.578 23.189 -7.233) 25.446 8.292 ( -0.301 22.655 -4.953) 23.192 8.559 ( 1.989 -1.497 1.033) 2.695 8.715 ( -2.278 0.653 -1.130) 2.625 8.757 ( 7.010 -11.357 1.715) 13.456 8.887 ( -2.972 -8.909 1.062) 9.451 9.053 ( -3.974 -9.701 1.285) 10.562 9.208 ( -4.574 2.058 6.046) 7.856 9.345 ( -6.805 -4.200 4.444) 9.148 9.442 ( -5.635 -0.980 7.089) 9.109 9.722 ( -10.410 -5.056 -3.976) 12.237 9.850 ( -4.990 -0.850 -1.609) 5.311 10.165 ( 1.279 4.739 4.572) 6.708 10.217 ( -2.079 -3.732 -3.025) 5.235 10.319 ( 9.733 -11.628 -0.567) 15.174 10.324 ( 4.256 -14.221 4.730) 15.580 10.576 ( 2.473 -6.059 6.285) 9.073 10.741 ( -4.644 -12.026 -0.653) 12.908 10.892 ( -2.105 -11.323 1.768) 11.652 10.992 ( 2.532 -9.096 -2.209) 9.697 11.224 ( 5.008 -6.607 -1.713) 8.466 11.247 ( 2.371 -12.446 4.438) 13.424 11.602 ( -5.483 -15.613 6.713) 17.858 11.958 ( 8.630 -2.476 0.627) 9.000 12.036 ( 6.988 -6.387 -8.121) 12.473 12.709 ( -7.263 7.580 -4.931) 11.599 12.932 ( -4.714 4.966 -8.938) 11.259 12.992 ( -0.547 2.082 -2.348) 3.185 13.075 ( 1.694 4.328 6.656) 8.118 13.247 ( -1.050 0.167 6.755) 6.838 13.334 ( 1.868 0.052 -8.343) 8.549 13.527 ( -0.369 3.325 -0.310) 3.360 13.645 ( -0.790 2.311 2.760) 3.686 13.781 ( 2.680 -3.966 -0.981) 4.887 14.050 ( -0.504 -2.845 -1.700) 3.352 14.078 ( -0.619 -16.612 6.093) 17.706 14.179 ( 3.908 -10.296 -1.023) 11.060 14.459 ( -1.858 1.531 2.731) 3.641 14.552 ( -0.690 -2.583 0.770) 2.782 16.470 ( -0.452 6.039 -2.654) 6.612 16.519 ( -0.374 2.303 -4.263) 4.859 16.597 ( 0.373 -2.008 -2.216) 3.013 16.718 ( -1.542 -4.915 -3.933) 6.481 17.568 ( 1.532 5.939 1.588) 6.335 17.638 ( 2.814 1.391 0.390) 3.163 17.673 ( 3.384 8.780 3.086) 9.902 17.907 ( -2.337 2.875 -4.382) 5.738 18.048 ( 2.935 -2.941 1.047) 4.285 18.086 ( 3.156 0.073 0.186) 3.163 18.437 ( -2.927 -0.269 2.384) 3.784 18.594 ( -4.000 -8.257 -3.154) 9.701 19.800 ( 3.638 8.214 1.329) 9.082 19.943 ( 4.202 2.631 -2.807) 5.697 20.246 ( -2.818 13.896 3.132) 14.520 20.571 ( -5.773 1.843 -8.839) 10.717 27.107 ( 2.951 -0.527 1.083) 3.188 27.137 ( 3.208 -2.600 1.578) 4.421 27.449 ( -2.020 0.802 1.636) 2.720 27.523 ( -2.332 -3.241 0.981) 4.112 28.364 ( 1.934 3.552 3.169) 5.137 28.550 ( 0.306 -4.019 1.464) 4.288 28.679 ( -1.192 -0.075 3.356) 3.562 28.803 ( -2.059 -2.757 -3.762) 5.099 29.464 ( 1.497 -0.837 -0.305) 1.742 29.637 ( 4.388 -10.155 -4.699) 12.019 29.732 ( -1.461 -0.155 2.199) 2.644 30.009 ( -1.684 -12.803 -5.519) 14.043 31.519 ( 2.193 15.032 6.428) 16.495 31.821 ( -0.013 3.114 -2.264) 3.850 32.347 ( -7.730 9.905 3.728) 13.106 32.517 ( -19.465 4.909 -0.676) 20.086 34.222 ( 8.376 -4.150 1.298) 9.438 34.242 ( 14.614 -5.441 0.475) 15.602 34.795 ( -2.414 0.476 -0.416) 2.496 34.903 ( -0.382 -4.966 -2.241) 5.462 107.456 ( 0.280 0.366 0.172) 0.492 107.459 ( 0.287 0.223 0.131) 0.387 107.508 ( -0.261 -0.322 0.986) 1.070 107.515 ( -0.319 -0.762 0.914) 1.232 ======================= Grid point 149 (55/80) ======================= q-point: ( 0.33 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 14.279 22.486 3.180) 26.826 3.133 ( 13.529 15.680 0.975) 20.732 3.371 ( 7.319 12.968 2.096) 15.037 3.472 ( 1.782 14.563 2.850) 14.946 3.681 ( 13.742 4.514 -2.812) 14.735 3.836 ( 3.105 -9.307 -4.986) 11.005 3.957 ( 9.865 -4.123 3.481) 11.244 4.127 ( 7.962 1.179 1.412) 8.172 4.217 ( -6.964 -1.659 6.815) 9.883 4.307 ( 2.900 -2.899 1.790) 4.475 4.398 ( -0.216 -6.844 5.265) 8.638 4.533 ( -4.937 -5.168 6.797) 9.863 5.072 ( 0.601 8.126 6.391) 10.356 5.339 ( -5.999 15.200 -1.933) 16.455 5.499 ( 4.293 5.099 -11.506) 13.298 5.556 ( -2.347 -0.917 -1.317) 2.843 5.697 ( 0.217 -6.393 -9.590) 11.527 5.821 ( -2.827 4.447 -8.359) 9.881 5.990 ( -7.466 -3.441 5.474) 9.876 6.186 ( -9.704 -6.557 10.737) 15.889 6.414 ( 2.522 24.901 -0.987) 25.048 6.579 ( -3.125 9.861 -18.797) 21.455 6.970 ( 7.334 6.705 -2.818) 10.329 7.118 ( 2.123 12.633 0.547) 12.821 7.380 ( -3.055 1.207 -10.956) 11.438 7.477 ( 2.835 19.335 10.298) 22.089 7.628 ( 0.042 16.991 3.701) 17.389 7.826 ( -12.942 16.718 -5.250) 21.784 7.986 ( 5.596 14.301 10.395) 18.545 8.089 ( -3.586 23.887 -7.727) 25.361 8.332 ( 2.861 22.574 0.634) 22.763 8.538 ( -3.444 -6.872 8.602) 11.536 8.665 ( -1.744 -18.326 3.035) 18.657 8.777 ( -5.568 -8.454 -1.099) 10.182 8.909 ( -5.995 -7.504 8.567) 12.870 8.948 ( -0.950 -6.219 8.080) 10.241 9.084 ( -2.202 0.872 3.661) 4.360 9.193 ( -0.568 6.951 5.467) 8.861 9.400 ( -1.593 6.357 -5.502) 8.557 9.540 ( -8.839 1.227 -4.641) 10.059 9.854 ( 4.150 -3.626 -2.428) 6.022 10.071 ( -5.543 2.700 0.048) 6.165 10.248 ( 2.256 4.552 -0.183) 5.084 10.352 ( -1.202 6.847 -1.727) 7.163 10.505 ( 6.761 -30.803 5.109) 31.947 10.617 ( 2.491 -15.590 7.466) 17.464 10.661 ( -3.039 -20.171 0.369) 20.401 10.811 ( -5.238 -8.214 2.711) 10.112 11.084 ( 5.542 -8.881 -1.262) 10.544 11.248 ( -1.191 -8.609 -1.347) 8.795 11.339 ( 4.572 -13.885 3.250) 14.975 11.500 ( -4.456 -15.770 4.602) 17.021 12.136 ( 9.314 1.246 -4.053) 10.234 12.242 ( 12.059 -4.891 -8.014) 15.282 12.535 ( -9.676 5.595 -7.077) 13.229 12.739 ( -11.509 -2.472 -8.441) 14.485 13.024 ( 1.802 8.412 -2.345) 8.916 13.090 ( -1.451 5.349 4.618) 7.214 13.246 ( 3.067 -0.443 0.121) 3.102 13.376 ( 1.001 -3.390 -6.776) 7.643 13.557 ( 1.742 7.423 4.003) 8.611 13.617 ( -1.517 0.798 2.129) 2.734 13.847 ( 4.378 -3.290 -0.584) 5.508 14.023 ( -2.661 -9.603 1.330) 10.054 14.127 ( 6.146 -5.361 3.630) 8.927 14.251 ( 3.456 -10.701 -0.041) 11.245 14.404 ( -3.822 0.164 3.917) 5.475 14.487 ( -6.002 -2.716 2.207) 6.947 16.466 ( 0.184 4.884 -3.561) 6.047 16.502 ( -1.190 3.200 -4.060) 5.304 16.612 ( 1.103 -2.688 -4.181) 5.092 16.680 ( -2.050 -4.420 -4.530) 6.652 17.605 ( 2.147 8.987 0.603) 9.259 17.678 ( 0.177 6.552 -1.233) 6.669 17.761 ( 4.954 7.323 3.178) 9.395 17.875 ( -0.827 3.973 -1.229) 4.240 18.137 ( 5.047 -3.831 0.349) 6.346 18.163 ( 5.438 -5.045 -0.190) 7.420 18.354 ( -5.031 -1.328 2.241) 5.665 18.480 ( -7.123 -8.046 -2.182) 10.965 19.903 ( 6.228 8.994 2.412) 11.203 20.056 ( 6.509 3.743 -1.963) 7.761 20.167 ( -4.505 10.893 3.233) 12.223 20.417 ( -8.934 2.373 -5.077) 10.546 27.188 ( 4.911 -0.205 1.194) 5.058 27.227 ( 5.553 -2.554 1.091) 6.209 27.388 ( -3.998 0.556 1.540) 4.321 27.454 ( -4.524 -3.071 0.783) 5.523 28.418 ( 3.224 3.747 3.388) 5.993 28.542 ( -1.595 1.348 2.227) 3.053 28.664 ( 0.270 -4.018 1.411) 4.267 28.751 ( -2.932 -3.799 -2.741) 5.527 29.518 ( 3.645 0.090 0.650) 3.703 29.673 ( -2.778 0.527 1.358) 3.136 29.756 ( 5.418 -11.719 -5.014) 13.850 29.956 ( -3.542 -12.789 -5.858) 14.506 31.601 ( 6.405 14.432 6.238) 16.977 31.848 ( 3.247 4.088 -0.795) 5.281 32.105 ( -17.946 11.255 4.203) 21.596 32.163 ( -11.381 7.529 3.156) 14.006 34.398 ( 9.400 -1.616 0.781) 9.570 34.546 ( 12.622 -8.486 -4.314) 15.809 34.725 ( -4.267 -0.264 0.349) 4.289 34.874 ( -2.884 -7.376 -3.293) 8.578 107.463 ( 0.377 0.518 0.218) 0.676 107.466 ( 0.332 0.423 0.159) 0.561 107.502 ( -0.280 -0.545 0.871) 1.065 107.507 ( -0.443 -0.788 0.789) 1.200 ======================= Grid point 150 (56/80) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( -4.515 18.219 -0.147) 18.771 3.256 ( 4.515 18.219 -0.147) 18.771 3.463 ( -1.399 17.192 4.834) 17.914 3.463 ( 1.399 17.192 4.834) 17.914 3.838 ( -2.875 -3.383 -3.848) 5.875 3.838 ( 2.875 -3.383 -3.848) 5.875 4.088 ( -4.773 -1.951 6.353) 8.182 4.088 ( 4.773 -1.951 6.353) 8.182 4.287 ( -4.665 -0.724 2.604) 5.391 4.287 ( 4.665 -0.724 2.604) 5.391 4.463 ( -2.659 -8.422 3.313) 9.433 4.463 ( 2.659 -8.422 3.313) 9.433 5.154 ( -8.001 14.936 5.652) 17.862 5.154 ( 8.001 14.936 5.652) 17.862 5.551 ( -0.585 1.284 -7.991) 8.114 5.551 ( 0.585 1.284 -7.991) 8.114 5.718 ( -3.331 2.107 -12.305) 12.921 5.718 ( 3.331 2.107 -12.305) 12.921 6.011 ( -6.323 -9.487 8.019) 13.939 6.011 ( 6.323 -9.487 8.019) 13.939 6.498 ( -4.819 16.810 -10.730) 20.517 6.498 ( 4.819 16.810 -10.730) 20.517 7.088 ( -4.893 -9.681 -9.151) 14.191 7.088 ( 4.893 -9.681 -9.151) 14.191 7.470 ( -9.056 29.985 8.725) 32.515 7.470 ( 9.056 29.985 8.725) 32.515 7.611 ( -3.333 15.941 -1.517) 16.356 7.611 ( 3.333 15.941 -1.517) 16.356 8.061 ( -2.183 25.630 0.811) 25.736 8.061 ( 2.183 25.630 0.811) 25.736 8.426 ( -6.615 2.783 8.232) 10.921 8.426 ( 6.615 2.783 8.232) 10.921 8.671 ( -3.270 -19.014 2.555) 19.461 8.671 ( 3.270 -19.014 2.555) 19.461 8.852 ( -2.682 -3.725 11.631) 12.504 8.852 ( 2.682 -3.725 11.631) 12.504 9.193 ( -4.104 3.587 0.765) 5.504 9.193 ( 4.104 3.587 0.765) 5.504 9.391 ( -4.065 5.055 -4.902) 8.131 9.391 ( 4.065 5.055 -4.902) 8.131 9.962 ( -5.626 -1.661 -3.730) 6.951 9.962 ( 5.626 -1.661 -3.730) 6.951 10.300 ( -3.003 9.716 -0.094) 10.170 10.300 ( 3.003 9.716 -0.094) 10.170 10.599 ( -3.248 -31.524 4.614) 32.025 10.599 ( 3.248 -31.524 4.614) 32.025 10.702 ( -5.243 -9.428 3.439) 11.323 10.702 ( 5.243 -9.428 3.439) 11.323 11.188 ( -4.465 -8.826 -0.564) 9.907 11.188 ( 4.465 -8.826 -0.564) 9.907 11.420 ( -3.728 -14.962 3.650) 15.846 11.420 ( 3.728 -14.962 3.650) 15.846 12.330 ( -9.705 4.040 -6.928) 12.589 12.330 ( 9.705 4.040 -6.928) 12.589 12.496 ( -12.255 -4.685 -9.654) 16.289 12.496 ( 12.255 -4.685 -9.654) 16.289 13.056 ( -1.497 7.534 0.324) 7.688 13.056 ( 1.497 7.534 0.324) 7.688 13.335 ( -4.481 -1.576 -1.684) 5.040 13.335 ( 4.481 -1.576 -1.684) 5.040 13.588 ( -1.531 3.478 2.142) 4.362 13.588 ( 1.531 3.478 2.142) 4.362 13.947 ( -4.851 -6.296 1.259) 8.047 13.947 ( 4.851 -6.296 1.259) 8.047 14.284 ( -6.687 -4.817 3.880) 9.109 14.284 ( 6.687 -4.817 3.880) 9.109 14.347 ( -4.748 -3.849 1.356) 6.260 14.347 ( 4.748 -3.849 1.356) 6.260 16.479 ( -1.004 4.040 -4.148) 5.876 16.479 ( 1.004 4.040 -4.148) 5.876 16.641 ( -1.772 -3.588 -4.889) 6.318 16.641 ( 1.772 -3.588 -4.889) 6.318 17.651 ( -2.234 9.263 -0.905) 9.571 17.651 ( 2.234 9.263 -0.905) 9.571 17.844 ( -2.844 5.939 1.598) 6.776 17.844 ( 2.844 5.939 1.598) 6.776 18.235 ( -4.705 -4.207 1.050) 6.398 18.235 ( 4.705 -4.207 1.050) 6.398 18.323 ( -7.648 -6.553 -0.813) 10.105 18.323 ( 7.648 -6.553 -0.813) 10.105 20.034 ( -6.404 10.584 2.878) 12.700 20.034 ( 6.404 10.584 2.878) 12.700 20.233 ( -8.825 2.272 -2.212) 9.377 20.233 ( 8.825 2.272 -2.212) 9.377 27.293 ( -5.225 0.197 1.373) 5.406 27.293 ( 5.225 0.197 1.373) 5.406 27.346 ( -5.939 -2.779 0.765) 6.602 27.346 ( 5.939 -2.779 0.765) 6.602 28.487 ( -3.448 3.747 3.267) 6.050 28.487 ( 3.448 3.747 3.267) 6.050 28.694 ( -2.446 -4.969 -1.103) 5.647 28.694 ( 2.446 -4.969 -1.103) 5.647 29.599 ( -4.149 0.662 1.332) 4.408 29.599 ( 4.149 0.662 1.332) 4.408 29.868 ( -5.180 -12.587 -5.899) 14.835 29.868 ( 5.180 -12.587 -5.899) 14.835 31.790 ( -12.548 13.712 6.051) 19.547 31.790 ( 12.548 13.712 6.051) 19.547 31.964 ( -8.124 5.468 1.124) 9.857 31.964 ( 8.124 5.468 1.124) 9.857 34.574 ( -7.444 0.170 -0.188) 7.449 34.574 ( 7.444 0.170 -0.188) 7.449 34.775 ( -7.054 -9.432 -3.838) 12.388 34.775 ( 7.054 -9.432 -3.838) 12.388 107.469 ( -0.108 0.655 0.224) 0.701 107.469 ( 0.108 0.655 0.224) 0.701 107.500 ( -0.170 -0.827 0.756) 1.134 107.500 ( 0.170 -0.827 0.756) 1.134 ======================= Grid point 154 (57/80) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 0.000 -10.037 -6.766) 12.104 2.974 ( 0.000 10.037 -6.766) 12.104 3.221 ( 0.000 -15.341 -0.890) 15.367 3.221 ( 0.000 15.341 -0.890) 15.367 3.567 ( 0.000 -5.145 3.176) 6.046 3.567 ( 0.000 5.145 3.176) 6.046 3.665 ( 0.000 -17.033 4.204) 17.545 3.665 ( 0.000 17.033 4.204) 17.545 4.279 ( 0.000 -4.887 5.217) 7.148 4.279 ( 0.000 4.887 5.217) 7.148 4.541 ( 0.000 -4.205 10.232) 11.062 4.541 ( 0.000 4.205 10.232) 11.062 5.341 ( 0.000 -0.605 -14.261) 14.274 5.341 ( 0.000 0.605 -14.261) 14.274 5.374 ( 0.000 -10.567 5.258) 11.803 5.374 ( 0.000 10.567 5.258) 11.803 5.772 ( 0.000 -1.035 -5.683) 5.776 5.772 ( 0.000 1.035 -5.683) 5.776 6.409 ( 0.000 -0.497 8.180) 8.195 6.409 ( 0.000 0.497 8.180) 8.195 6.928 ( 0.000 -11.772 -12.472) 17.150 6.928 ( 0.000 11.772 -12.472) 17.150 7.147 ( 0.000 -11.540 -0.201) 11.542 7.147 ( 0.000 11.540 -0.201) 11.542 7.445 ( 0.000 -26.851 5.821) 27.475 7.445 ( 0.000 26.851 5.821) 27.475 7.712 ( 0.000 -18.613 10.650) 21.445 7.712 ( 0.000 18.614 10.650) 21.445 8.454 ( 0.000 -27.058 -6.004) 27.717 8.454 ( 0.000 27.058 -6.004) 27.717 8.596 ( 0.000 -2.358 0.775) 2.482 8.596 ( 0.000 2.358 0.775) 2.482 8.806 ( 0.000 -5.549 -9.405) 10.920 8.806 ( 0.000 5.549 -9.405) 10.920 9.048 ( 0.000 -25.251 4.918) 25.726 9.048 ( 0.000 25.251 4.918) 25.726 9.136 ( 0.000 -34.216 -1.865) 34.267 9.136 ( 0.000 34.216 -1.865) 34.267 9.495 ( 0.000 -3.956 1.202) 4.135 9.495 ( 0.000 3.956 1.202) 4.135 9.903 ( 0.000 -3.409 3.978) 5.239 9.903 ( 0.000 3.409 3.978) 5.239 10.147 ( 0.000 -3.923 -2.137) 4.467 10.147 ( 0.000 3.923 -2.137) 4.467 10.387 ( 0.000 -8.188 -2.639) 8.603 10.387 ( 0.000 8.188 -2.639) 8.603 10.776 ( 0.000 -10.787 4.535) 11.702 10.776 ( 0.000 10.787 4.535) 11.702 10.972 ( 0.000 -9.102 4.112) 9.988 10.972 ( 0.000 9.102 4.112) 9.988 11.340 ( 0.000 -15.755 4.995) 16.528 11.340 ( 0.000 15.755 4.995) 16.528 11.846 ( 0.000 -3.695 -2.699) 4.576 11.846 ( 0.000 3.695 -2.699) 4.576 12.971 ( 0.000 -6.350 0.477) 6.367 12.971 ( 0.000 6.350 0.477) 6.367 13.033 ( 0.000 -1.894 -5.732) 6.037 13.033 ( 0.000 1.894 -5.732) 6.037 13.337 ( 0.000 -1.830 -2.163) 2.833 13.337 ( 0.000 1.830 -2.163) 2.833 13.574 ( 0.000 -6.139 4.334) 7.515 13.574 ( 0.000 6.139 4.334) 7.515 13.807 ( 0.000 -10.753 2.893) 11.135 13.807 ( 0.000 10.753 2.893) 11.135 14.039 ( 0.000 -1.112 -2.075) 2.354 14.039 ( 0.000 1.112 -2.075) 2.354 14.508 ( 0.000 -1.785 0.853) 1.979 14.508 ( 0.000 1.785 0.853) 1.979 16.555 ( 0.000 -1.599 -3.928) 4.241 16.555 ( 0.000 1.599 -3.928) 4.241 16.620 ( 0.000 -6.179 -2.275) 6.584 16.620 ( 0.000 6.179 -2.275) 6.584 17.591 ( 0.000 -1.111 1.167) 1.612 17.591 ( 0.000 1.111 1.167) 1.612 17.832 ( 0.000 -8.229 -0.243) 8.232 17.832 ( 0.000 8.229 -0.243) 8.232 18.056 ( 0.000 -0.618 0.538) 0.820 18.056 ( 0.000 0.618 0.538) 0.820 18.506 ( 0.000 -4.104 -0.508) 4.135 18.506 ( 0.000 4.104 -0.508) 4.135 19.885 ( 0.000 -3.675 -1.152) 3.851 19.885 ( 0.000 3.675 -1.152) 3.851 20.538 ( 0.000 -9.835 -2.244) 10.087 20.538 ( 0.000 9.835 -2.244) 10.087 27.073 ( 0.000 -0.483 1.203) 1.296 27.073 ( 0.000 0.483 1.203) 1.296 27.494 ( 0.000 -1.804 0.470) 1.864 27.494 ( 0.000 1.804 0.470) 1.864 28.432 ( 0.000 -5.115 1.818) 5.429 28.432 ( 0.000 5.115 1.818) 5.429 28.753 ( 0.000 -4.083 -0.541) 4.119 28.753 ( 0.000 4.083 -0.541) 4.119 29.461 ( 0.000 -2.682 -2.682) 3.793 29.461 ( 0.000 2.682 -2.682) 3.793 29.824 ( 0.000 -6.954 -2.297) 7.324 29.824 ( 0.000 6.954 -2.297) 7.324 31.753 ( 0.000 -8.933 3.761) 9.692 31.753 ( 0.000 8.933 3.761) 9.692 32.646 ( 0.000 -9.072 -1.717) 9.233 32.646 ( 0.000 9.072 -1.717) 9.233 34.060 ( 0.000 -2.918 3.348) 4.441 34.060 ( 0.000 2.918 3.348) 4.441 34.844 ( 0.000 -2.092 -1.147) 2.386 34.844 ( 0.000 2.092 -1.147) 2.386 107.457 ( 0.000 -0.073 0.237) 0.248 107.457 ( 0.000 0.073 0.237) 0.248 107.509 ( 0.000 -0.166 0.891) 0.907 107.509 ( 0.000 0.166 0.891) 0.907 ======================= Grid point 156 (58/80) ======================= q-point: ( 0.17 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( 10.365 -10.211 -5.744) 15.643 3.085 ( 10.365 10.211 -5.744) 15.643 3.326 ( 9.229 -17.732 -0.375) 19.993 3.326 ( 9.229 17.732 -0.375) 19.993 3.649 ( 7.590 -6.268 2.983) 10.286 3.649 ( 7.590 6.268 2.983) 10.286 3.747 ( 7.739 -17.887 3.378) 19.780 3.747 ( 7.739 17.887 3.378) 19.780 4.260 ( -1.855 -4.043 4.688) 6.463 4.260 ( -1.855 4.043 4.688) 6.463 4.500 ( -3.737 -5.028 9.560) 11.429 4.500 ( -3.737 5.028 9.560) 11.429 5.321 ( -1.338 -11.097 -3.114) 11.603 5.321 ( -1.338 11.097 -3.114) 11.603 5.438 ( 5.204 -8.607 -4.887) 11.182 5.438 ( 5.204 8.607 -4.887) 11.182 5.760 ( -1.209 -3.518 -5.848) 6.931 5.760 ( -1.209 3.518 -5.848) 6.931 6.314 ( -9.487 -1.925 12.258) 15.619 6.314 ( -9.487 1.925 12.258) 15.619 6.845 ( -5.668 -9.989 -18.724) 21.966 6.845 ( -5.668 9.989 -18.724) 21.966 7.070 ( -5.815 -19.085 -5.220) 20.623 7.070 ( -5.815 19.085 -5.220) 20.623 7.598 ( 11.317 -25.346 8.366) 28.991 7.598 ( 11.317 25.346 8.366) 28.991 7.767 ( 5.366 -18.864 11.274) 22.622 7.767 ( 5.366 18.864 11.274) 22.622 8.344 ( -8.766 -18.350 -2.720) 20.518 8.344 ( -8.766 18.350 -2.720) 20.518 8.479 ( -8.606 -11.730 -0.433) 14.555 8.479 ( -8.606 11.730 -0.433) 14.555 8.832 ( -1.467 -4.372 0.370) 4.627 8.832 ( -1.467 4.372 0.370) 4.627 9.004 ( -3.135 -17.840 0.206) 18.115 9.004 ( -3.135 17.840 0.206) 18.115 9.166 ( 2.587 -28.890 -3.487) 29.214 9.166 ( 2.587 28.890 -3.487) 29.214 9.561 ( 4.978 -14.698 1.568) 15.597 9.561 ( 4.978 14.698 1.568) 15.597 9.791 ( -7.272 -16.011 0.759) 17.601 9.791 ( -7.272 16.011 0.759) 17.601 10.206 ( 3.362 -1.905 1.380) 4.103 10.206 ( 3.362 1.905 1.380) 4.103 10.385 ( -0.386 -9.543 -0.912) 9.594 10.385 ( -0.386 9.543 -0.912) 9.594 10.731 ( -3.820 -11.013 3.873) 12.283 10.731 ( -3.820 11.013 3.873) 12.283 11.008 ( 3.282 -8.906 2.870) 9.916 11.008 ( 3.282 8.906 2.870) 9.916 11.304 ( -2.930 -11.321 2.568) 11.973 11.304 ( -2.930 11.321 2.568) 11.973 11.951 ( 9.204 -1.912 -2.942) 9.850 11.951 ( 9.204 1.912 -2.942) 9.850 12.856 ( -8.410 -6.581 -4.643) 11.644 12.856 ( -8.410 6.581 -4.643) 11.644 13.118 ( 4.798 -2.217 -1.781) 5.578 13.118 ( 4.798 2.217 -1.781) 5.578 13.268 ( -4.153 -3.816 -1.174) 5.761 13.268 ( -4.153 3.816 -1.174) 5.761 13.630 ( 3.761 -6.668 2.716) 8.123 13.630 ( 3.761 6.668 2.716) 8.123 13.794 ( -1.001 -10.031 3.459) 10.658 13.794 ( -1.001 10.031 3.459) 10.658 14.058 ( 2.044 -2.678 -1.557) 3.711 14.058 ( 2.044 2.678 -1.557) 3.711 14.500 ( -1.233 -2.394 2.055) 3.388 14.500 ( -1.233 2.394 2.055) 3.388 16.552 ( -0.174 -2.370 -4.163) 4.793 16.552 ( -0.174 2.370 -4.163) 4.793 16.609 ( -0.960 -5.693 -2.873) 6.449 16.609 ( -0.960 5.693 -2.873) 6.449 17.643 ( 4.698 -1.459 1.049) 5.030 17.643 ( 4.698 1.459 1.049) 5.030 17.841 ( 0.804 -7.348 -0.472) 7.407 17.841 ( 0.804 7.348 -0.472) 7.407 18.062 ( 0.790 -2.553 0.514) 2.721 18.062 ( 0.790 2.553 0.514) 2.721 18.468 ( -3.649 -3.824 -0.130) 5.287 18.468 ( -3.649 3.824 -0.130) 5.287 19.926 ( 4.045 -3.835 -0.615) 5.608 19.926 ( 4.045 3.835 -0.615) 5.608 20.491 ( -4.526 -8.959 -1.646) 10.172 20.491 ( -4.526 8.959 -1.646) 10.172 27.105 ( 3.175 -0.570 1.027) 3.385 27.105 ( 3.175 0.570 1.027) 3.385 27.472 ( -2.191 -1.719 0.422) 2.817 27.472 ( -2.191 1.719 0.422) 2.817 28.453 ( 1.959 -4.957 1.739) 5.606 28.453 ( 1.959 4.957 1.739) 5.606 28.729 ( -2.330 -3.953 -0.343) 4.602 28.729 ( -2.330 3.953 -0.343) 4.602 29.493 ( 3.048 -3.969 -2.723) 5.697 29.493 ( 3.048 3.969 -2.723) 5.697 29.807 ( -1.693 -6.965 -2.412) 7.563 29.807 ( -1.693 6.965 -2.412) 7.563 31.761 ( 1.180 -8.208 3.645) 9.059 31.761 ( 1.180 8.208 3.645) 9.059 32.510 ( -12.012 -5.060 0.675) 13.052 32.510 ( -12.012 5.060 0.675) 13.052 34.181 ( 10.500 -0.392 1.204) 10.576 34.181 ( 10.500 0.392 1.204) 10.576 34.826 ( -1.907 -2.645 -1.243) 3.490 34.826 ( -1.907 2.645 -1.243) 3.490 107.461 ( 0.353 -0.074 0.265) 0.447 107.461 ( 0.353 0.074 0.265) 0.447 107.506 ( -0.339 -0.162 0.832) 0.913 107.506 ( -0.339 0.162 0.832) 0.913 ======================= Grid point 158 (59/80) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( 13.537 -9.270 -3.303) 16.736 3.341 ( 13.537 9.270 -3.303) 16.736 3.521 ( 8.190 -16.792 -0.433) 18.688 3.521 ( 8.190 16.792 -0.433) 18.688 3.824 ( 8.038 -9.527 4.250) 13.170 3.824 ( 8.038 9.527 4.250) 13.170 3.916 ( 6.169 -16.811 3.168) 18.185 3.916 ( 6.169 16.811 3.168) 18.185 4.235 ( 1.155 -3.330 2.631) 4.399 4.235 ( 1.155 3.330 2.631) 4.399 4.406 ( -5.117 -5.139 6.841) 9.969 4.406 ( -5.117 5.139 6.841) 9.969 5.311 ( 1.478 -13.611 1.914) 13.824 5.311 ( 1.478 13.611 1.914) 13.824 5.530 ( 1.116 -6.740 -8.635) 11.011 5.530 ( 1.116 6.740 -8.635) 11.011 5.733 ( 0.190 -9.051 -3.202) 9.603 5.733 ( 0.190 9.051 -3.202) 9.603 6.067 ( -13.176 -5.308 9.925) 17.329 6.067 ( -13.176 5.308 9.925) 17.329 6.769 ( -1.213 -10.282 -21.660) 24.007 6.769 ( -1.213 10.282 -21.660) 24.007 6.937 ( -7.105 -13.932 -12.061) 19.750 6.937 ( -7.105 13.932 -12.061) 19.750 7.816 ( 9.760 -13.758 10.344) 19.788 7.816 ( 9.760 13.758 10.344) 19.788 7.913 ( 8.172 -4.181 10.708) 14.104 7.913 ( 8.172 4.181 10.708) 14.104 8.181 ( -6.399 -6.165 2.743) 9.299 8.181 ( -6.399 6.165 2.743) 9.299 8.313 ( -7.582 -7.443 0.670) 10.646 8.313 ( -7.582 7.443 0.670) 10.646 8.737 ( -5.185 -8.437 6.376) 11.778 8.737 ( -5.185 8.437 6.376) 11.778 8.891 ( -8.361 -2.136 2.594) 9.011 8.891 ( -8.361 2.136 2.594) 9.011 9.258 ( 6.203 -17.921 -5.275) 19.684 9.258 ( 6.203 17.921 -5.275) 19.684 9.538 ( -6.853 -5.831 -0.803) 9.034 9.538 ( -6.853 5.831 -0.803) 9.034 9.807 ( 8.484 -15.448 0.800) 17.642 9.807 ( 8.484 15.448 0.800) 17.642 10.182 ( -6.428 -7.583 4.269) 10.819 10.182 ( -6.428 7.583 4.269) 10.819 10.422 ( 4.782 -7.508 -0.425) 8.912 10.422 ( 4.782 7.508 -0.425) 8.912 10.643 ( -4.791 -10.570 1.634) 11.720 10.643 ( -4.791 10.570 1.634) 11.720 11.087 ( 4.237 -8.077 1.953) 9.328 11.087 ( 4.237 8.077 1.953) 9.328 11.240 ( -3.303 -6.990 1.165) 7.818 11.240 ( -3.303 6.990 1.165) 7.818 12.168 ( 11.695 -2.330 -6.010) 13.354 12.168 ( 11.695 2.330 -6.010) 13.354 12.650 ( -11.654 -5.475 -8.532) 15.446 12.650 ( -11.654 5.475 -8.532) 15.446 13.185 ( 1.864 -4.639 2.031) 5.397 13.185 ( 1.864 4.639 2.031) 5.397 13.232 ( 0.154 -8.875 -3.068) 9.392 13.232 ( 0.154 8.875 -3.068) 9.392 13.694 ( 2.595 -5.891 2.967) 7.088 13.694 ( 2.595 5.891 2.967) 7.088 13.774 ( -1.109 -9.526 4.002) 10.391 13.774 ( -1.109 9.526 4.002) 10.391 14.135 ( 5.917 -2.485 -0.126) 6.418 14.135 ( 5.917 2.485 -0.126) 6.418 14.435 ( -5.565 -2.310 3.242) 6.842 14.435 ( -5.565 2.310 3.242) 6.842 16.552 ( 0.228 -3.320 -4.679) 5.742 16.552 ( 0.228 3.320 -4.679) 5.742 16.586 ( -1.236 -4.756 -4.127) 6.417 16.586 ( -1.236 4.756 -4.127) 6.417 17.750 ( 5.150 -2.367 0.501) 5.690 17.750 ( 5.150 2.367 0.501) 5.690 17.854 ( 0.041 -3.195 -1.022) 3.355 17.854 ( 0.041 3.195 -1.022) 3.355 18.104 ( 3.921 -1.448 0.942) 4.285 18.104 ( 3.921 1.448 0.942) 4.285 18.364 ( -6.491 -3.066 0.671) 7.210 18.364 ( -6.491 3.066 0.671) 7.210 20.041 ( 7.126 -4.229 0.322) 8.293 20.041 ( 7.126 4.229 0.322) 8.293 20.366 ( -7.587 -6.982 -0.374) 10.318 20.366 ( -7.587 6.982 -0.374) 10.318 27.193 ( 5.298 -0.844 0.669) 5.407 27.193 ( 5.298 0.844 0.669) 5.407 27.407 ( -4.271 -1.515 0.354) 4.546 27.407 ( -4.271 1.515 0.354) 4.546 28.508 ( 3.407 -4.559 1.436) 5.870 28.508 ( 3.407 4.559 1.436) 5.870 28.666 ( -3.797 -3.860 0.188) 5.417 28.666 ( -3.797 3.860 0.188) 5.417 29.574 ( 4.774 -5.629 -2.791) 7.891 29.574 ( 4.774 5.629 -2.791) 7.891 29.755 ( -3.405 -6.902 -2.642) 8.137 29.755 ( -3.405 6.902 -2.642) 8.137 31.819 ( 5.054 -6.560 3.699) 9.069 31.819 ( 5.054 6.560 3.699) 9.069 32.232 ( -14.274 -1.279 3.388) 14.727 32.232 ( -14.274 1.279 3.388) 14.727 34.417 ( 11.788 -3.720 -1.207) 12.420 34.417 ( 11.788 3.720 -1.207) 12.420 34.760 ( -4.836 -3.742 -1.552) 6.308 34.760 ( -4.836 3.742 -1.552) 6.308 107.471 ( 0.587 -0.097 0.354) 0.692 107.471 ( 0.587 0.097 0.354) 0.692 107.496 ( -0.574 -0.152 0.682) 0.904 107.496 ( -0.574 0.152 0.682) 0.904 ======================= Grid point 160 (60/80) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( -5.824 -9.909 -1.655) 11.613 3.558 ( 5.673 -9.888 -1.655) 11.519 3.558 ( -5.673 9.888 -1.655) 11.519 3.558 ( 5.824 9.909 -1.655) 11.613 3.935 ( -2.455 -12.756 5.643) 14.163 3.935 ( 2.032 -12.738 5.643) 14.079 3.935 ( -2.032 12.738 5.643) 14.079 3.935 ( 2.455 12.756 5.643) 14.163 4.311 ( -4.357 -4.183 2.316) 6.469 4.311 ( 2.988 -3.870 2.316) 5.411 4.311 ( -2.988 3.871 2.316) 5.411 4.311 ( 4.357 4.183 2.316) 6.469 5.418 ( -7.955 -10.960 -0.560) 13.554 5.418 ( 5.787 -10.615 -0.560) 12.103 5.418 ( -5.787 10.615 -0.560) 12.103 5.418 ( 7.955 10.960 -0.560) 13.554 5.840 ( -9.055 -7.389 -0.417) 11.695 5.840 ( 8.747 -7.296 -0.417) 11.398 5.840 ( -8.747 7.296 -0.417) 11.398 5.840 ( 9.055 7.389 -0.417) 11.695 6.808 ( -3.804 -14.897 -17.462) 23.266 6.808 ( 3.019 -14.851 -17.462) 23.122 6.808 ( -3.019 14.851 -17.462) 23.122 6.808 ( 3.804 14.897 -17.462) 23.266 7.977 ( -3.630 -6.056 10.554) 12.698 7.977 ( 0.615 -5.786 10.554) 12.052 7.977 ( -0.615 5.786 10.554) 12.052 7.977 ( 3.630 6.056 10.554) 12.698 8.163 ( -2.638 -16.852 3.085) 17.334 8.163 ( 0.244 -16.801 3.085) 17.084 8.163 ( -0.244 16.801 3.085) 17.084 8.163 ( 2.638 16.852 3.085) 17.334 8.731 ( -4.534 -10.196 6.064) 12.700 8.731 ( 3.284 -10.075 6.064) 12.209 8.731 ( -3.284 10.075 6.064) 12.209 8.731 ( 4.534 10.196 6.064) 12.700 9.394 ( -6.086 -11.647 -3.503) 13.600 9.394 ( 4.196 -11.436 -3.503) 12.676 9.394 ( -4.196 11.436 -3.503) 12.676 9.394 ( 6.086 11.647 -3.503) 13.600 10.005 ( -8.327 -14.534 2.746) 16.974 10.005 ( 4.457 -14.102 2.746) 15.042 10.005 ( -4.457 14.102 2.746) 15.042 10.005 ( 8.327 14.534 2.746) 16.974 10.536 ( -5.370 -10.141 0.277) 11.478 10.536 ( 4.452 -10.029 0.277) 10.976 10.536 ( -4.452 10.029 0.277) 10.976 10.536 ( 5.370 10.141 0.277) 11.478 11.169 ( -3.593 -7.292 1.610) 8.287 11.169 ( 3.209 -7.247 1.610) 8.088 11.169 ( -3.209 7.247 1.610) 8.088 11.169 ( 3.593 7.292 1.610) 8.287 12.408 ( -12.080 -3.954 -8.972) 15.559 12.408 ( -11.719 3.672 -8.972) 15.210 12.408 ( 11.719 -3.672 -8.972) 15.210 12.408 ( 12.080 3.954 -8.972) 15.559 13.220 ( -1.563 -7.936 -0.383) 8.098 13.220 ( 1.558 -7.936 -0.383) 8.096 13.220 ( -1.558 7.936 -0.383) 8.096 13.220 ( 1.563 7.936 -0.383) 8.098 13.742 ( -1.890 -10.432 3.882) 11.290 13.742 ( 1.777 -10.427 3.882) 11.267 13.742 ( -1.777 10.427 3.882) 11.267 13.742 ( 1.890 10.432 3.882) 11.290 14.287 ( -7.732 -2.102 2.105) 8.284 14.287 ( -6.554 -0.460 2.105) 6.900 14.287 ( 6.554 0.460 2.105) 6.900 14.287 ( 7.732 2.102 2.105) 8.284 16.564 ( -0.910 -4.077 -4.865) 6.412 16.564 ( 0.898 -4.077 -4.865) 6.410 16.564 ( -0.898 4.077 -4.865) 6.410 16.564 ( 0.910 4.077 -4.865) 6.412 17.829 ( -1.075 -6.826 -0.590) 6.935 17.829 ( 0.176 -6.805 -0.590) 6.833 17.829 ( -0.176 6.805 -0.590) 6.833 17.829 ( 1.075 6.826 -0.590) 6.935 18.221 ( -6.174 -3.039 1.194) 6.985 18.221 ( -3.763 -1.802 1.194) 4.340 18.221 ( 3.763 1.802 1.194) 4.340 18.221 ( 6.174 3.039 1.194) 6.985 20.201 ( -8.399 -5.262 0.511) 9.924 20.201 ( 5.631 -4.240 0.511) 7.067 20.201 ( -5.631 4.240 0.511) 7.067 20.201 ( 8.399 5.262 0.511) 9.924 27.306 ( -5.595 -1.219 0.411) 5.740 27.306 ( -5.566 1.186 0.411) 5.706 27.306 ( 5.566 -1.186 0.411) 5.706 27.306 ( 5.595 1.219 0.411) 5.740 28.585 ( -3.520 -5.409 0.867) 6.512 28.585 ( 2.009 -5.213 0.867) 5.653 28.585 ( -2.009 5.213 0.867) 5.653 28.585 ( 3.520 5.409 0.867) 6.512 29.672 ( -4.694 -6.599 -2.786) 8.565 29.672 ( 4.623 -6.587 -2.786) 8.516 29.672 ( -4.623 6.587 -2.786) 8.516 29.672 ( 4.694 6.599 -2.786) 8.565 31.976 ( -10.568 -4.414 3.989) 12.128 31.976 ( -10.151 4.162 3.989) 11.673 31.976 ( 10.151 -4.162 3.989) 11.673 31.976 ( 10.568 4.414 3.989) 12.128 34.626 ( -8.377 -4.924 -1.820) 9.886 34.626 ( 0.669 -2.609 -1.820) 3.251 34.626 ( -0.669 2.609 -1.820) 3.251 34.626 ( 8.377 4.924 -1.820) 9.886 107.484 ( -0.336 -0.735 0.503) 0.952 107.484 ( -0.163 -0.720 0.503) 0.894 107.484 ( 0.163 0.720 0.503) 0.894 107.484 ( 0.336 0.735 0.503) 0.952 ======================= Grid point 189 (61/80) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.000 0.000 16.236) 16.236 2.177 ( 0.000 0.000 -0.973) 0.973 2.415 ( 0.000 0.000 27.468) 27.468 2.825 ( 0.000 0.000 -13.990) 13.990 3.600 ( 0.000 0.000 4.892) 4.892 3.637 ( 0.000 0.000 10.521) 10.521 3.760 ( 0.000 0.000 -10.749) 10.749 3.959 ( 0.000 0.000 30.984) 30.984 4.024 ( 0.000 0.000 -18.776) 18.776 4.401 ( 0.000 0.000 -5.697) 5.697 4.403 ( 0.000 0.000 1.092) 1.092 4.407 ( 0.000 0.000 0.008) 0.008 4.537 ( 0.000 0.000 3.723) 3.723 4.602 ( 0.000 0.000 -2.856) 2.856 5.017 ( 0.000 0.000 2.693) 2.693 5.077 ( 0.000 0.000 1.928) 1.928 5.397 ( 0.000 0.000 7.756) 7.756 5.400 ( 0.000 0.000 2.651) 2.651 5.489 ( 0.000 0.000 -1.914) 1.914 5.673 ( 0.000 0.000 12.708) 12.708 5.762 ( 0.000 0.000 -27.105) 27.105 6.025 ( 0.000 0.000 -22.246) 22.246 6.030 ( 0.000 0.000 12.896) 12.896 6.353 ( 0.000 0.000 -18.947) 18.947 7.264 ( 0.000 0.000 6.701) 6.701 7.358 ( 0.000 0.000 -3.261) 3.261 7.560 ( 0.000 0.000 5.928) 5.928 7.658 ( 0.000 0.000 -4.403) 4.403 7.877 ( 0.000 0.000 6.815) 6.815 7.978 ( 0.000 0.000 -1.957) 1.957 8.590 ( 0.000 0.000 2.858) 2.858 8.655 ( 0.000 0.000 -2.928) 2.928 8.678 ( 0.000 0.000 6.591) 6.591 8.678 ( 0.000 0.000 8.859) 8.859 9.228 ( 0.000 0.000 3.589) 3.589 9.254 ( 0.000 0.000 -5.187) 5.187 9.300 ( 0.000 0.000 -7.966) 7.966 9.311 ( 0.000 0.000 -5.288) 5.288 9.388 ( 0.000 0.000 7.901) 7.901 9.559 ( 0.000 0.000 -9.533) 9.533 10.045 ( 0.000 0.000 5.275) 5.275 10.099 ( 0.000 0.000 -1.188) 1.188 10.307 ( 0.000 0.000 -2.322) 2.322 10.315 ( 0.000 0.000 -2.463) 2.463 10.798 ( 0.000 0.000 13.095) 13.095 11.000 ( 0.000 0.000 -8.323) 8.323 11.536 ( 0.000 0.000 3.252) 3.252 11.588 ( 0.000 0.000 -2.045) 2.045 11.732 ( 0.000 0.000 10.612) 10.612 11.935 ( 0.000 0.000 2.583) 2.583 11.957 ( 0.000 0.000 -12.151) 12.151 11.983 ( 0.000 0.000 -2.337) 2.337 12.250 ( 0.000 0.000 0.747) 0.747 12.262 ( 0.000 0.000 -0.478) 0.478 12.605 ( 0.000 0.000 14.550) 14.550 12.818 ( 0.000 0.000 -6.483) 6.483 12.852 ( 0.000 0.000 1.507) 1.507 12.889 ( 0.000 0.000 -2.228) 2.228 12.983 ( 0.000 0.000 1.068) 1.068 12.998 ( 0.000 0.000 -0.570) 0.570 13.398 ( 0.000 0.000 -1.946) 1.946 13.484 ( 0.000 0.000 -11.809) 11.809 13.928 ( 0.000 0.000 12.737) 12.737 14.147 ( 0.000 0.000 -10.155) 10.155 14.499 ( 0.000 0.000 3.528) 3.528 14.573 ( 0.000 0.000 -3.737) 3.737 14.925 ( 0.000 0.000 7.592) 7.592 15.079 ( 0.000 0.000 -8.512) 8.512 16.667 ( 0.000 0.000 1.716) 1.716 16.697 ( 0.000 0.000 -0.422) 0.422 16.797 ( 0.000 0.000 7.555) 7.555 16.956 ( 0.000 0.000 -7.976) 7.976 16.961 ( 0.000 0.000 4.785) 4.785 17.057 ( 0.000 0.000 -5.068) 5.068 17.583 ( 0.000 0.000 2.516) 2.516 17.617 ( 0.000 0.000 -1.022) 1.022 17.751 ( 0.000 0.000 0.967) 0.967 17.787 ( 0.000 0.000 -2.683) 2.683 18.895 ( 0.000 0.000 12.327) 12.327 19.086 ( 0.000 0.000 -0.508) 0.508 19.117 ( 0.000 0.000 -3.545) 3.545 19.126 ( 0.000 0.000 -11.278) 11.278 19.837 ( 0.000 0.000 2.400) 2.400 19.852 ( 0.000 0.000 1.005) 1.005 27.180 ( 0.000 0.000 3.719) 3.719 27.250 ( 0.000 0.000 -3.477) 3.477 27.550 ( 0.000 0.000 6.714) 6.714 27.671 ( 0.000 0.000 -4.957) 4.957 28.424 ( 0.000 0.000 10.735) 10.735 28.635 ( 0.000 0.000 -10.220) 10.220 28.850 ( 0.000 0.000 3.589) 3.589 28.914 ( 0.000 0.000 -2.721) 2.721 29.955 ( 0.000 0.000 16.488) 16.488 30.279 ( 0.000 0.000 -16.120) 16.120 30.695 ( 0.000 0.000 2.385) 2.385 30.745 ( 0.000 0.000 -2.680) 2.680 30.832 ( 0.000 0.000 3.565) 3.565 30.902 ( 0.000 0.000 -3.497) 3.497 31.869 ( 0.000 0.000 1.412) 1.412 31.903 ( 0.000 0.000 -2.132) 2.132 34.322 ( 0.000 0.000 9.201) 9.201 34.429 ( 0.000 0.000 -1.824) 1.824 34.876 ( 0.000 0.000 2.603) 2.603 34.993 ( 0.000 0.000 -9.100) 9.100 107.441 ( 0.000 0.000 0.192) 0.192 107.446 ( 0.000 0.000 -0.347) 0.347 107.557 ( 0.000 0.000 1.461) 1.461 107.582 ( 0.000 0.000 -1.087) 1.087 ======================= Grid point 190 (62/80) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 11.976 0.000 13.670) 18.174 2.287 ( 10.306 0.000 -1.474) 10.411 2.500 ( 6.075 0.000 27.035) 27.709 2.896 ( 3.657 0.000 -14.686) 15.135 3.557 ( -1.027 0.000 16.786) 16.818 3.589 ( -1.338 0.000 8.450) 8.555 3.797 ( 0.012 0.000 -11.780) 11.780 3.935 ( -4.041 0.000 -19.732) 20.141 4.175 ( 14.702 0.000 21.414) 25.975 4.201 ( -9.090 0.000 2.523) 9.434 4.247 ( -10.434 0.000 -2.211) 10.666 4.524 ( 9.596 0.000 -10.237) 14.032 4.644 ( 5.464 0.000 5.223) 7.559 4.738 ( 5.903 0.000 -4.150) 7.216 4.934 ( -5.450 0.000 7.318) 9.124 5.083 ( -1.012 0.000 -3.645) 3.783 5.377 ( -1.027 0.000 5.539) 5.634 5.403 ( 0.413 0.000 6.194) 6.208 5.465 ( -2.268 0.000 -0.351) 2.295 5.687 ( -3.189 0.000 -15.000) 15.335 5.817 ( 11.250 0.000 9.725) 14.871 5.985 ( -3.685 0.000 10.398) 11.032 6.234 ( 16.759 0.000 -24.923) 30.033 6.253 ( -8.563 0.000 -15.577) 17.775 7.222 ( -4.662 0.000 7.257) 8.625 7.309 ( -4.106 0.000 -2.396) 4.754 7.669 ( 9.514 0.000 3.405) 10.105 7.731 ( 7.017 0.000 -3.116) 7.678 7.886 ( 1.176 0.000 8.762) 8.840 8.038 ( 4.013 0.000 -5.620) 6.905 8.568 ( -2.613 0.000 2.895) 3.899 8.577 ( -8.898 0.000 8.499) 12.305 8.628 ( -3.060 0.000 -2.620) 4.029 8.647 ( -5.295 0.000 4.722) 7.095 9.163 ( -4.848 0.000 1.176) 4.988 9.167 ( -9.729 0.000 -4.592) 10.759 9.168 ( -6.663 0.000 0.952) 6.731 9.207 ( -3.325 0.000 -6.818) 7.586 9.538 ( 7.994 0.000 1.202) 8.084 9.622 ( 4.713 0.000 -6.798) 8.272 9.817 ( -16.392 0.000 6.399) 17.596 9.905 ( -17.622 0.000 -3.185) 17.908 10.297 ( 5.937 0.000 9.983) 11.615 10.500 ( 13.783 0.000 -9.332) 16.645 11.005 ( 13.264 0.000 11.232) 17.381 11.175 ( 10.954 0.000 -5.863) 12.424 11.537 ( 0.146 0.000 3.040) 3.044 11.583 ( -0.507 0.000 -1.528) 1.610 11.677 ( -6.165 0.000 11.458) 13.012 11.929 ( -2.213 0.000 -13.961) 14.136 11.929 ( -0.569 0.000 2.019) 2.098 11.974 ( -1.001 0.000 -2.456) 2.652 12.227 ( -1.853 0.000 0.874) 2.048 12.241 ( -1.775 0.000 -0.595) 1.872 12.592 ( -0.360 0.000 12.470) 12.475 12.789 ( -0.918 0.000 -6.915) 6.976 12.805 ( -3.190 0.000 0.540) 3.235 12.824 ( -4.052 0.000 -1.303) 4.256 13.049 ( 4.443 0.000 1.171) 4.595 13.064 ( 4.500 0.000 -0.334) 4.513 13.336 ( -5.166 0.000 -2.394) 5.694 13.414 ( -5.541 0.000 -11.070) 12.379 13.877 ( -4.115 0.000 10.464) 11.244 14.074 ( -6.294 0.000 -9.412) 11.323 14.491 ( -2.623 0.000 4.645) 5.335 14.570 ( -0.061 0.000 -3.471) 3.471 14.969 ( 3.160 0.000 5.655) 6.478 15.080 ( -0.010 0.000 -5.709) 5.709 16.520 ( -9.694 0.000 3.882) 10.443 16.594 ( -8.779 0.000 -3.637) 9.502 16.835 ( 3.612 0.000 6.118) 7.105 16.952 ( 0.283 0.000 -5.742) 5.749 17.004 ( 4.171 0.000 4.462) 6.108 17.094 ( 3.485 0.000 -4.687) 5.840 17.553 ( -2.922 0.000 1.916) 3.494 17.576 ( -3.903 0.000 -0.550) 3.941 17.907 ( 9.750 0.000 -0.078) 9.750 17.935 ( 12.712 0.000 -3.168) 13.101 18.950 ( 5.420 0.000 11.818) 13.001 19.089 ( 0.334 0.000 -0.669) 0.748 19.116 ( -0.057 0.000 -3.308) 3.309 19.173 ( 4.043 0.000 -10.909) 11.634 19.840 ( 0.255 0.000 2.343) 2.357 19.853 ( 0.143 0.000 1.020) 1.030 27.210 ( 2.911 0.000 3.844) 4.822 27.279 ( 2.799 0.000 -3.087) 4.167 27.540 ( -1.091 0.000 6.750) 6.838 27.659 ( -1.384 0.000 -4.695) 4.894 28.431 ( 0.651 0.000 9.372) 9.395 28.608 ( -2.444 0.000 -8.082) 8.444 28.850 ( 0.117 0.000 3.438) 3.440 28.917 ( 0.184 0.000 -3.276) 3.281 29.992 ( 3.757 0.000 17.180) 17.586 30.319 ( 3.743 0.000 -15.397) 15.846 30.703 ( 0.820 0.000 2.448) 2.582 30.754 ( 0.914 0.000 -2.713) 2.863 30.822 ( -0.969 0.000 3.467) 3.600 30.890 ( -1.129 0.000 -3.423) 3.605 31.513 ( -28.294 0.000 11.940) 30.711 31.698 ( -18.552 0.000 -7.541) 20.026 34.509 ( 8.279 0.000 2.397) 8.619 34.544 ( 14.644 0.000 -1.289) 14.701 34.882 ( 1.061 0.000 5.034) 5.145 35.040 ( 4.093 0.000 -10.609) 11.371 107.441 ( 0.069 0.000 0.178) 0.191 107.447 ( 0.033 0.000 -0.336) 0.338 107.554 ( -0.287 0.000 1.278) 1.310 107.574 ( -0.723 0.000 -0.733) 1.029 ======================= Grid point 191 (63/80) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 17.224 0.000 7.866) 18.935 2.545 ( 13.650 0.000 -1.392) 13.720 2.584 ( 2.665 0.000 21.319) 21.485 2.840 ( -8.308 0.000 -5.877) 10.176 3.491 ( -8.903 0.000 8.307) 12.177 3.611 ( -15.857 0.000 -3.155) 16.168 3.703 ( 12.428 0.000 5.969) 13.787 3.911 ( 1.230 0.000 -13.534) 13.590 4.137 ( 2.671 0.000 2.390) 3.584 4.214 ( 5.213 0.000 -4.940) 7.182 4.464 ( 12.337 0.000 9.945) 15.846 4.685 ( 3.291 0.000 -11.199) 11.672 4.688 ( -0.634 0.000 4.378) 4.424 4.777 ( -1.991 0.000 -4.048) 4.511 4.872 ( 1.260 0.000 8.281) 8.376 5.037 ( -3.227 0.000 -5.364) 6.260 5.394 ( 3.455 0.000 2.412) 4.213 5.406 ( -0.220 0.000 2.923) 2.931 5.416 ( -1.925 0.000 1.530) 2.459 5.618 ( -4.004 0.000 -16.123) 16.613 5.926 ( -1.327 0.000 4.723) 4.906 6.072 ( -8.266 0.000 -9.191) 12.362 6.131 ( 19.654 0.000 23.287) 30.472 6.591 ( 16.264 0.000 -19.202) 25.164 7.055 ( -11.785 0.000 11.256) 16.297 7.202 ( -7.140 0.000 -4.391) 8.382 7.878 ( 10.249 0.000 1.929) 10.429 7.919 ( 10.242 0.000 -2.364) 10.511 7.922 ( 2.769 0.000 8.016) 8.481 8.085 ( 0.846 0.000 -7.341) 7.390 8.359 ( -10.568 0.000 2.563) 10.875 8.426 ( -15.520 0.000 -1.395) 15.583 8.472 ( -6.365 0.000 2.754) 6.935 8.523 ( -7.037 0.000 -2.208) 7.376 9.065 ( 1.621 0.000 4.688) 4.960 9.081 ( -1.778 0.000 1.424) 2.278 9.095 ( -2.018 0.000 0.137) 2.022 9.194 ( 2.067 0.000 -8.008) 8.270 9.495 ( -14.128 0.000 7.082) 15.803 9.577 ( -13.941 0.000 -2.563) 14.175 9.667 ( 4.636 0.000 -0.827) 4.709 9.703 ( 2.731 0.000 -4.263) 5.062 10.479 ( 10.951 0.000 17.247) 20.431 10.749 ( 6.183 0.000 -4.656) 7.740 11.208 ( 9.222 0.000 6.979) 11.565 11.326 ( 4.929 0.000 -2.264) 5.424 11.523 ( -6.989 0.000 9.136) 11.503 11.542 ( 0.370 0.000 2.389) 2.418 11.569 ( -0.806 0.000 -0.211) 0.833 11.812 ( -11.037 0.000 -17.794) 20.939 11.916 ( -0.533 0.000 0.414) 0.675 11.944 ( -1.724 0.000 -2.364) 2.926 12.194 ( -1.080 0.000 0.802) 1.345 12.205 ( -1.494 0.000 -0.344) 1.533 12.672 ( 9.015 0.000 7.807) 11.925 12.751 ( -1.991 0.000 -0.195) 2.000 12.757 ( -2.403 0.000 -0.829) 2.542 12.833 ( 4.143 0.000 -6.821) 7.980 13.129 ( 3.095 0.000 1.351) 3.377 13.139 ( 2.672 0.000 0.264) 2.685 13.238 ( -3.793 0.000 -3.367) 5.072 13.299 ( -5.545 0.000 -9.369) 10.887 13.809 ( -1.696 0.000 5.375) 5.636 13.937 ( -6.573 0.000 -6.767) 9.434 14.414 ( -3.754 0.000 6.050) 7.120 14.510 ( -5.882 0.000 -3.469) 6.829 15.026 ( 2.404 0.000 3.214) 4.014 15.077 ( -0.293 0.000 -1.739) 1.764 16.379 ( -3.735 0.000 1.066) 3.885 16.435 ( -6.058 0.000 -4.430) 7.505 16.914 ( 3.759 0.000 3.703) 5.276 16.970 ( 0.960 0.000 -2.005) 2.223 17.119 ( 6.887 0.000 3.455) 7.705 17.187 ( 5.335 0.000 -3.471) 6.365 17.466 ( -5.994 0.000 0.852) 6.054 17.473 ( -5.396 0.000 0.163) 5.398 18.080 ( 6.742 0.000 1.421) 6.890 18.132 ( 5.631 0.000 -3.812) 6.800 19.093 ( 7.867 0.000 7.745) 11.039 19.098 ( 0.488 0.000 -1.138) 1.238 19.114 ( -0.205 0.000 -2.675) 2.683 19.245 ( 1.931 0.000 -7.512) 7.756 19.847 ( 0.373 0.000 2.078) 2.112 19.855 ( 0.023 0.000 1.195) 1.195 27.289 ( 4.647 0.000 4.285) 6.321 27.355 ( 4.210 0.000 -2.154) 4.729 27.507 ( -1.840 0.000 5.999) 6.275 27.609 ( -3.599 0.000 -3.734) 5.186 28.451 ( 1.410 0.000 5.645) 5.818 28.548 ( -3.193 0.000 -3.814) 4.974 28.862 ( 1.134 0.000 2.603) 2.839 28.914 ( -0.633 0.000 -2.522) 2.601 30.108 ( 7.897 0.000 18.404) 20.026 30.401 ( 2.505 0.000 -7.889) 8.277 30.726 ( 1.474 0.000 2.632) 3.016 30.780 ( 1.537 0.000 -2.620) 3.037 30.796 ( -1.499 0.000 3.013) 3.366 30.859 ( -1.875 0.000 -3.236) 3.740 30.989 ( -18.689 0.000 12.588) 22.533 31.274 ( -21.133 0.000 -13.856) 25.270 34.649 ( 5.867 0.000 4.836) 7.603 34.752 ( 3.027 0.000 -4.891) 5.752 34.968 ( 7.916 0.000 3.469) 8.643 35.117 ( 2.353 0.000 -10.571) 10.830 107.443 ( 0.122 0.000 0.099) 0.157 107.447 ( -0.015 0.000 -0.251) 0.251 107.549 ( -0.189 0.000 0.857) 0.878 107.559 ( -0.697 0.000 -0.136) 0.710 ======================= Grid point 192 (64/80) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -6.821 0.000 7.669) 10.263 2.668 ( 6.821 0.000 7.669) 10.263 2.707 ( -2.482 0.000 1.538) 2.920 2.707 ( 2.482 0.000 1.538) 2.920 3.368 ( -2.708 0.000 3.438) 4.376 3.368 ( 2.708 0.000 3.438) 4.376 3.897 ( -4.845 0.000 -4.217) 6.423 3.897 ( 4.845 0.000 -4.217) 6.423 4.244 ( -4.264 0.000 1.163) 4.420 4.244 ( 4.264 0.000 1.163) 4.420 4.642 ( -5.708 0.000 1.144) 5.821 4.642 ( 5.708 0.000 1.144) 5.821 4.700 ( -3.544 0.000 -1.248) 3.757 4.700 ( 3.544 0.000 -1.248) 3.757 4.956 ( -4.802 0.000 -1.113) 4.929 4.956 ( 4.802 0.000 -1.113) 4.929 5.399 ( -0.157 0.000 1.278) 1.287 5.399 ( 0.157 0.000 1.278) 1.287 5.509 ( -6.659 0.000 -9.921) 11.949 5.509 ( 6.659 0.000 -9.921) 11.949 5.949 ( -3.697 0.000 -1.908) 4.160 5.949 ( 3.697 0.000 -1.908) 4.160 6.568 ( -20.614 0.000 20.703) 29.216 6.568 ( 20.614 0.000 20.703) 29.216 7.013 ( -10.507 0.000 -8.412) 13.459 7.013 ( 10.507 0.000 -8.412) 13.459 8.031 ( -2.156 0.000 0.232) 2.168 8.031 ( 2.156 0.000 0.232) 2.168 8.041 ( -8.014 0.000 -3.860) 8.895 8.041 ( 8.014 0.000 -3.860) 8.895 8.219 ( -1.123 0.000 0.185) 1.138 8.219 ( 1.123 0.000 0.185) 1.138 8.401 ( -2.302 0.000 -0.218) 2.313 8.401 ( 2.302 0.000 -0.218) 2.313 9.073 ( -0.456 0.000 0.805) 0.925 9.073 ( 0.456 0.000 0.805) 0.925 9.183 ( -7.268 0.000 2.080) 7.560 9.183 ( 7.268 0.000 2.080) 7.560 9.367 ( -5.456 0.000 -0.223) 5.461 9.367 ( 5.456 0.000 -0.223) 5.461 9.722 ( -0.859 0.000 -2.496) 2.640 9.722 ( 0.859 0.000 -2.496) 2.640 10.689 ( -8.882 0.000 15.192) 17.598 10.689 ( 8.882 0.000 15.192) 17.598 11.387 ( -4.227 0.000 1.038) 4.352 11.387 ( 4.227 0.000 1.038) 4.352 11.527 ( -14.384 0.000 -10.329) 17.708 11.527 ( 14.384 0.000 -10.329) 17.708 11.553 ( -0.690 0.000 1.270) 1.445 11.553 ( 0.690 0.000 1.270) 1.445 11.917 ( -0.768 0.000 -1.375) 1.575 11.917 ( 0.768 0.000 -1.375) 1.575 12.187 ( -0.300 0.000 0.298) 0.423 12.187 ( 0.300 0.000 0.298) 0.423 12.731 ( -0.135 0.000 -0.550) 0.567 12.731 ( 0.135 0.000 -0.550) 0.567 12.847 ( -5.002 0.000 -0.425) 5.020 12.847 ( 5.002 0.000 -0.425) 5.020 13.164 ( -0.298 0.000 0.958) 1.004 13.164 ( 0.298 0.000 0.958) 1.004 13.213 ( -2.020 0.000 -6.705) 7.002 13.213 ( 2.020 0.000 -6.705) 7.002 13.829 ( -3.651 0.000 -0.732) 3.724 13.829 ( 3.651 0.000 -0.732) 3.724 14.399 ( -3.161 0.000 1.139) 3.360 14.399 ( 3.161 0.000 1.139) 3.360 15.063 ( -1.248 0.000 0.759) 1.461 15.063 ( 1.248 0.000 0.759) 1.461 16.360 ( -1.478 0.000 -2.489) 2.895 16.360 ( 1.478 0.000 -2.489) 2.895 16.969 ( -1.420 0.000 1.127) 1.813 16.969 ( 1.420 0.000 1.127) 1.813 17.246 ( -3.125 0.000 0.603) 3.183 17.246 ( 3.125 0.000 0.603) 3.183 17.382 ( -1.475 0.000 -0.140) 1.482 17.382 ( 1.475 0.000 -0.140) 1.482 18.167 ( -1.649 0.000 -0.556) 1.740 18.167 ( 1.649 0.000 -0.556) 1.740 19.107 ( -0.406 0.000 -1.863) 1.907 19.107 ( 0.406 0.000 -1.863) 1.907 19.223 ( -4.187 0.000 -0.134) 4.189 19.223 ( 4.187 0.000 -0.134) 4.189 19.853 ( -0.242 0.000 1.613) 1.631 19.853 ( 0.242 0.000 1.613) 1.631 27.376 ( -3.088 0.000 3.623) 4.760 27.376 ( 3.088 0.000 3.623) 4.760 27.523 ( -4.123 0.000 -1.035) 4.251 27.523 ( 4.123 0.000 -1.035) 4.251 28.490 ( -2.473 0.000 0.874) 2.623 28.490 ( 2.473 0.000 0.874) 2.623 28.891 ( -1.543 0.000 0.286) 1.570 28.891 ( 1.543 0.000 0.286) 1.570 30.304 ( -10.530 0.000 15.709) 18.911 30.304 ( 10.530 0.000 15.709) 18.911 30.760 ( -1.781 0.000 2.894) 3.398 30.760 ( 1.781 0.000 2.894) 3.398 30.819 ( -2.034 0.000 -2.997) 3.622 30.819 ( 2.034 0.000 -2.997) 3.622 30.929 ( -10.985 0.000 -11.410) 15.839 30.929 ( 10.985 0.000 -11.410) 15.839 34.739 ( -2.975 0.000 2.309) 3.766 34.739 ( 2.975 0.000 2.309) 3.766 35.103 ( -4.017 0.000 -5.868) 7.111 35.103 ( 4.017 0.000 -5.868) 7.111 107.446 ( -0.100 0.000 -0.069) 0.122 107.446 ( 0.100 0.000 -0.069) 0.122 107.549 ( -0.248 0.000 0.374) 0.449 107.549 ( 0.248 0.000 0.374) 0.449 ======================= Grid point 196 (65/80) ======================= q-point: ( 0.00 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 0.000 11.181 14.259) 18.120 2.277 ( 0.000 8.761 -0.266) 8.765 2.514 ( 0.000 9.846 24.056) 25.992 2.871 ( 0.000 5.223 -12.173) 13.246 3.484 ( 0.000 -3.768 9.865) 10.560 3.571 ( 0.000 -1.866 5.181) 5.506 3.786 ( 0.000 -0.491 -9.665) 9.678 3.933 ( 0.000 -5.304 -17.813) 18.586 4.326 ( 0.000 11.919 13.763) 18.206 4.407 ( 0.000 1.780 0.006) 1.780 4.482 ( 0.000 20.394 10.789) 23.072 4.622 ( 0.000 11.663 0.373) 11.669 4.728 ( 0.000 11.806 1.748) 11.935 4.807 ( 0.000 14.447 -7.527) 16.290 5.205 ( 0.000 15.879 9.733) 18.625 5.225 ( 0.000 17.379 5.111) 18.115 5.387 ( 0.000 1.878 2.570) 3.183 5.466 ( 0.000 4.662 0.330) 4.674 5.526 ( 0.000 12.109 5.382) 13.251 5.693 ( 0.000 -3.067 -15.972) 16.264 5.940 ( 0.000 21.720 -5.300) 22.357 5.959 ( 0.000 0.565 -7.528) 7.549 6.208 ( 0.000 10.507 2.742) 10.859 6.484 ( 0.000 11.920 -20.922) 24.080 7.205 ( 0.000 -4.575 4.251) 6.245 7.224 ( 0.000 -10.259 2.163) 10.485 7.571 ( 0.000 -0.050 4.241) 4.242 7.664 ( 0.000 0.289 -4.533) 4.542 7.861 ( 0.000 -0.001 6.695) 6.695 7.910 ( 0.000 -4.769 0.597) 4.806 8.307 ( 0.000 -16.943 0.519) 16.951 8.397 ( 0.000 -16.780 -6.969) 18.170 8.815 ( 0.000 6.095 7.455) 9.630 8.866 ( 0.000 9.607 5.530) 11.085 9.188 ( 0.000 -4.070 -1.594) 4.371 9.263 ( 0.000 -1.969 -6.226) 6.530 9.314 ( 0.000 5.995 2.022) 6.327 9.366 ( 0.000 1.746 -3.194) 3.640 9.544 ( 0.000 11.800 4.875) 12.767 9.661 ( 0.000 8.963 -7.085) 11.425 10.062 ( 0.000 1.645 5.108) 5.366 10.123 ( 0.000 2.150 -1.670) 2.722 10.308 ( 0.000 0.435 -1.396) 1.462 10.332 ( 0.000 1.308 -2.807) 3.097 10.681 ( 0.000 -10.706 13.007) 16.847 10.883 ( 0.000 -10.978 -8.113) 13.650 11.457 ( 0.000 -16.660 5.114) 17.427 11.514 ( 0.000 -14.825 1.222) 14.875 11.591 ( 0.000 0.774 9.735) 9.766 11.763 ( 0.000 -8.912 -3.170) 9.459 11.784 ( 0.000 -14.592 2.430) 14.793 11.939 ( 0.000 -5.899 -15.232) 16.334 12.203 ( 0.000 -6.089 2.028) 6.418 12.211 ( 0.000 -5.543 0.469) 5.563 12.579 ( 0.000 -1.140 8.114) 8.194 12.708 ( 0.000 -5.436 -4.536) 7.080 12.896 ( 0.000 3.028 3.417) 4.566 12.974 ( 0.000 5.157 -4.198) 6.650 13.076 ( 0.000 8.165 3.438) 8.860 13.135 ( 0.000 9.188 -1.473) 9.305 13.429 ( 0.000 2.822 -2.279) 3.627 13.478 ( 0.000 -0.430 -9.248) 9.258 13.927 ( 0.000 -0.299 11.050) 11.054 14.124 ( 0.000 -2.323 -9.237) 9.524 14.497 ( 0.000 -0.210 3.517) 3.524 14.564 ( 0.000 -0.781 -3.204) 3.298 14.811 ( 0.000 -11.107 6.618) 12.929 14.931 ( 0.000 -14.263 -5.431) 15.262 16.482 ( 0.000 -12.063 4.935) 13.034 16.535 ( 0.000 -8.495 -1.382) 8.607 16.694 ( 0.000 -1.494 3.565) 3.865 16.795 ( 0.000 -3.609 -5.810) 6.839 17.276 ( 0.000 14.250 5.505) 15.276 17.391 ( 0.000 13.062 -5.161) 14.045 17.622 ( 0.000 0.493 -0.213) 0.537 17.628 ( 0.000 5.370 -1.882) 5.690 17.810 ( 0.000 5.711 0.834) 5.772 17.838 ( 0.000 5.556 -2.111) 5.943 18.741 ( 0.000 -8.493 8.488) 12.008 18.896 ( 0.000 -10.032 -7.709) 12.652 19.326 ( 0.000 15.580 1.286) 15.633 19.394 ( 0.000 14.358 -5.233) 15.282 19.904 ( 0.000 6.456 2.904) 7.079 19.949 ( 0.000 9.655 -2.081) 9.877 27.166 ( 0.000 -1.282 3.278) 3.519 27.227 ( 0.000 -2.147 -2.901) 3.609 27.546 ( 0.000 -0.406 6.161) 6.175 27.657 ( 0.000 -1.423 -4.500) 4.720 28.429 ( 0.000 0.356 10.594) 10.600 28.635 ( 0.000 -0.185 -9.844) 9.846 28.828 ( 0.000 -1.957 3.048) 3.622 28.879 ( 0.000 -3.303 -1.636) 3.686 29.809 ( 0.000 -11.118 11.978) 16.343 30.046 ( 0.000 -16.483 -11.759) 20.248 30.442 ( 0.000 -23.617 8.397) 25.065 30.576 ( 0.000 -18.171 -5.580) 19.009 30.945 ( 0.000 15.829 6.920) 17.275 31.091 ( 0.000 18.105 -7.930) 19.766 32.083 ( 0.000 13.685 2.358) 13.887 32.153 ( 0.000 19.565 -5.150) 20.232 34.290 ( 0.000 -3.034 8.382) 8.914 34.387 ( 0.000 -3.918 -1.706) 4.273 34.864 ( 0.000 -1.125 2.525) 2.765 34.968 ( 0.000 -2.292 -7.742) 8.074 107.443 ( 0.000 0.181 0.169) 0.248 107.447 ( 0.000 0.095 -0.269) 0.286 107.552 ( 0.000 -0.486 1.276) 1.366 107.572 ( 0.000 -0.943 -0.671) 1.158 ======================= Grid point 197 (66/80) ======================= q-point: ( 0.17 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 10.256 10.034 13.940) 20.004 2.387 ( 10.191 8.855 -0.952) 13.534 2.634 ( 8.624 12.268 20.430) 25.343 2.943 ( 4.253 5.682 -11.642) 13.635 3.441 ( 2.895 -2.952 13.021) 13.662 3.685 ( 7.616 0.090 -4.554) 8.874 3.853 ( 5.623 1.639 -3.455) 6.800 4.029 ( 6.790 -2.063 -11.337) 13.375 4.189 ( -10.643 12.496 5.437) 17.292 4.296 ( -13.645 10.396 -5.314) 17.958 4.369 ( -5.705 12.424 8.746) 16.229 4.530 ( -0.213 5.306 -5.284) 7.492 4.798 ( 6.657 5.155 13.077) 15.553 4.969 ( 2.003 9.194 2.847) 9.831 5.157 ( -2.875 8.859 -6.016) 11.087 5.195 ( -0.327 26.307 2.416) 26.420 5.377 ( -1.776 5.204 1.951) 5.834 5.461 ( 0.220 7.401 -2.867) 7.941 5.591 ( 6.317 10.245 8.813) 14.917 5.723 ( 1.410 1.199 -5.816) 6.103 5.930 ( 1.603 18.931 3.562) 19.329 6.043 ( 3.133 2.365 -1.628) 4.250 6.233 ( 1.907 6.719 -7.577) 10.304 6.453 ( 1.246 14.149 -20.153) 24.656 7.174 ( -3.101 -3.761 5.175) 7.109 7.205 ( -0.934 -8.825 1.550) 9.009 7.599 ( 1.073 -4.916 4.980) 7.079 7.706 ( 3.105 -2.668 -5.583) 6.923 7.904 ( 4.313 -1.714 6.240) 7.777 7.997 ( 7.825 0.577 -0.994) 7.909 8.266 ( -4.433 -17.469 0.676) 18.035 8.339 ( -5.869 -14.479 -4.570) 16.278 8.779 ( -3.813 7.600 7.345) 11.236 8.855 ( -1.638 10.073 2.784) 10.579 9.131 ( -4.358 -2.548 -2.365) 5.574 9.166 ( -8.376 -0.137 -4.830) 9.670 9.261 ( -4.295 6.997 0.790) 8.248 9.282 ( -5.077 4.696 -1.492) 7.075 9.615 ( 3.888 4.983 1.898) 6.600 9.666 ( -2.818 2.349 -2.907) 4.681 9.854 ( -11.964 4.637 3.517) 13.304 9.905 ( -15.975 1.427 -2.085) 16.174 10.290 ( 3.250 -0.364 7.583) 8.258 10.434 ( 7.720 -6.087 -5.210) 11.126 10.912 ( 14.005 -8.112 8.844) 18.443 11.060 ( 11.522 -10.415 -5.460) 16.464 11.436 ( -2.126 -16.113 6.001) 17.325 11.514 ( -2.017 -15.948 1.976) 16.196 11.598 ( 1.324 2.926 4.865) 5.829 11.767 ( 0.698 -6.743 -5.280) 8.593 11.817 ( 3.405 -10.389 2.283) 11.168 11.925 ( -0.803 -6.502 -10.525) 12.398 12.174 ( -2.811 -6.650 1.933) 7.474 12.198 ( -1.232 -3.020 -0.309) 3.276 12.542 ( -2.528 -2.343 7.463) 8.220 12.674 ( -2.288 -5.220 -5.201) 7.716 12.918 ( 0.739 5.893 3.416) 6.851 12.996 ( 1.699 9.208 -3.725) 10.077 13.060 ( -1.138 2.277 1.588) 3.000 13.107 ( -1.980 4.518 -2.962) 5.754 13.381 ( -3.323 3.608 -1.689) 5.188 13.436 ( -2.774 2.626 -7.818) 8.701 13.884 ( -3.481 0.477 9.210) 9.857 14.060 ( -5.372 -1.404 -8.455) 10.115 14.492 ( -2.252 0.174 4.400) 4.946 14.565 ( 0.214 -0.530 -3.008) 3.062 14.852 ( 2.969 -11.367 4.794) 12.688 14.936 ( 0.453 -13.885 -3.474) 14.320 16.432 ( -3.850 -6.014 3.781) 8.080 16.492 ( -3.969 -6.202 -2.631) 7.819 16.719 ( 2.226 -4.269 3.679) 6.059 16.812 ( 1.256 -5.542 -5.260) 7.744 17.248 ( -0.679 13.288 4.543) 14.059 17.337 ( -2.353 12.718 -4.160) 13.587 17.583 ( -2.734 2.590 0.948) 3.883 17.600 ( -2.775 3.123 -0.623) 4.224 17.955 ( 9.136 4.074 0.055) 10.003 17.983 ( 11.882 4.256 -3.070) 12.989 18.743 ( 0.283 -10.536 7.634) 13.014 18.884 ( -1.253 -11.393 -7.033) 13.447 19.365 ( 3.722 16.119 2.205) 16.689 19.445 ( 4.278 14.959 -5.438) 16.481 19.903 ( -0.068 6.082 2.827) 6.708 19.947 ( -0.316 9.161 -1.967) 9.375 27.197 ( 2.975 -1.237 3.401) 4.685 27.257 ( 2.935 -2.046 -2.611) 4.429 27.533 ( -1.373 -0.645 6.163) 6.346 27.642 ( -1.685 -1.706 -4.236) 4.868 28.436 ( 0.733 0.456 9.360) 9.399 28.610 ( -2.287 0.053 -7.623) 7.959 28.825 ( -0.221 -2.257 2.759) 3.571 28.877 ( -0.200 -3.715 -2.312) 4.381 29.840 ( 3.009 -11.439 12.532) 17.232 30.075 ( 2.527 -16.596 -10.553) 19.829 30.417 ( -2.391 -23.774 8.317) 25.300 30.560 ( -1.658 -19.077 -6.177) 20.121 30.955 ( 1.162 16.623 6.818) 18.004 31.099 ( 0.964 18.822 -7.754) 20.380 31.860 ( -22.303 22.419 3.636) 31.832 31.918 ( -15.792 16.636 -2.332) 23.056 34.465 ( 8.352 -4.077 2.099) 9.528 34.495 ( 13.640 -4.639 -0.916) 14.437 34.866 ( 0.584 -1.463 4.525) 4.791 35.004 ( 3.084 -3.293 -8.984) 10.053 107.444 ( 0.100 0.214 0.160) 0.285 107.448 ( 0.075 0.137 -0.266) 0.308 107.549 ( -0.273 -0.473 1.130) 1.255 107.565 ( -0.593 -0.819 -0.444) 1.104 ======================= Grid point 198 (67/80) ======================= q-point: ( 0.33 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 13.405 7.709 11.716) 19.400 2.630 ( 11.663 8.260 -1.702) 14.392 2.771 ( 5.716 14.604 12.303) 19.933 2.930 ( -4.396 9.101 -3.299) 10.632 3.673 ( 15.181 -1.662 5.814) 16.341 3.761 ( -6.769 20.793 8.763) 23.558 3.873 ( -5.617 1.062 -9.418) 11.017 3.921 ( -7.967 23.903 -5.695) 25.831 4.122 ( 7.460 -1.348 3.047) 8.170 4.237 ( 6.290 2.309 -6.947) 9.652 4.385 ( 3.865 -2.446 5.800) 7.386 4.532 ( 0.605 -2.696 -8.949) 9.365 4.863 ( -0.661 2.233 11.667) 11.897 4.904 ( -4.685 4.393 8.232) 10.441 5.071 ( -3.983 7.085 -8.036) 11.430 5.173 ( -4.997 16.473 -13.372) 21.797 5.428 ( 6.925 10.114 3.682) 12.798 5.496 ( 3.016 12.639 -1.991) 13.146 5.650 ( -0.918 18.965 4.925) 19.616 5.716 ( -2.570 5.934 -2.934) 7.101 5.968 ( 1.016 8.263 1.330) 8.431 6.114 ( -2.845 6.385 -10.162) 12.333 6.253 ( 12.665 10.298 18.847) 24.933 6.647 ( 12.067 6.580 -14.955) 20.312 7.074 ( -6.075 1.544 8.816) 10.817 7.197 ( -1.431 -0.300 -3.979) 4.240 7.595 ( 0.091 -14.189 8.588) 16.586 7.762 ( 2.962 -12.350 -8.012) 15.017 7.951 ( -2.947 -12.805 5.762) 14.348 8.072 ( -14.083 -19.818 -2.399) 24.430 8.179 ( 8.523 11.051 -2.122) 14.116 8.254 ( 0.087 -0.097 -4.122) 4.124 8.675 ( -5.220 9.589 5.028) 12.020 8.758 ( -7.695 12.517 -2.249) 14.864 9.044 ( -0.063 -0.979 2.743) 2.913 9.094 ( 0.047 -1.536 -1.258) 1.986 9.186 ( -2.518 6.809 0.757) 7.299 9.220 ( -0.913 3.793 -3.730) 5.398 9.448 ( -13.363 -3.761 5.213) 14.829 9.511 ( -12.245 -5.907 -2.129) 13.761 9.765 ( 2.431 8.118 1.595) 8.623 9.806 ( 0.631 9.039 -2.544) 9.411 10.404 ( 7.160 -6.937 11.975) 15.582 10.565 ( 3.233 -15.746 -0.506) 16.082 11.122 ( 7.465 -7.250 5.577) 11.806 11.234 ( 5.682 -8.613 -2.780) 10.686 11.375 ( -3.463 -12.087 3.455) 13.040 11.421 ( -6.224 -15.870 -0.251) 17.049 11.641 ( 3.066 3.280 3.300) 5.572 11.766 ( -1.040 1.198 -7.683) 7.845 11.903 ( 3.267 -3.990 0.263) 5.163 11.926 ( 0.791 -5.977 -3.436) 6.939 12.112 ( -2.654 -7.019 2.296) 7.847 12.156 ( -2.934 -1.764 -2.441) 4.205 12.530 ( 1.714 -6.724 3.819) 7.921 12.633 ( -2.163 -5.863 -5.888) 8.586 12.917 ( 0.877 7.868 4.822) 9.270 13.038 ( -1.508 -4.745 0.734) 5.033 13.039 ( 2.730 11.681 -5.406) 13.157 13.092 ( 0.219 -0.964 -4.026) 4.145 13.343 ( -0.288 6.770 -0.955) 6.844 13.393 ( -1.661 6.842 -5.652) 9.029 13.830 ( -1.030 1.894 5.083) 5.522 13.948 ( -5.160 0.973 -6.256) 8.167 14.420 ( -3.825 0.486 5.835) 6.994 14.510 ( -5.686 -0.089 -3.074) 6.465 14.909 ( 2.519 -11.349 2.647) 11.922 14.947 ( 0.482 -12.539 -0.970) 12.586 16.368 ( -1.957 -0.703 0.788) 2.224 16.407 ( -3.706 -1.857 -3.162) 5.214 16.771 ( 2.627 -7.951 2.466) 8.729 16.829 ( 0.158 -8.361 -3.213) 8.958 17.289 ( 4.336 10.108 3.230) 11.463 17.345 ( 2.839 9.180 -2.522) 9.934 17.510 ( -4.659 4.661 1.215) 6.701 17.526 ( -4.316 5.979 -0.379) 7.383 18.126 ( 7.010 3.624 1.537) 8.040 18.176 ( 6.123 3.459 -3.490) 7.851 18.757 ( 1.288 -14.989 4.303) 15.647 18.848 ( -2.275 -14.399 -5.096) 15.443 19.459 ( 5.008 16.987 2.628) 17.904 19.526 ( 2.893 15.975 -3.807) 16.676 19.904 ( 0.208 5.370 2.143) 5.785 19.934 ( -0.916 7.613 -1.164) 7.756 27.278 ( 4.845 -1.048 3.868) 6.288 27.340 ( 4.817 -1.619 -2.110) 5.502 27.490 ( -2.685 -1.461 5.655) 6.428 27.585 ( -3.983 -2.319 -3.396) 5.725 28.458 ( 1.477 0.656 5.937) 6.153 28.554 ( -3.056 0.456 -3.224) 4.465 28.827 ( 0.596 -3.084 1.857) 3.648 28.868 ( -0.782 -4.218 -2.060) 4.759 29.927 ( 5.470 -12.735 13.065) 19.047 30.115 ( 0.063 -17.251 -2.036) 17.371 30.369 ( -1.022 -22.326 2.675) 22.509 30.504 ( -3.920 -20.731 -7.658) 22.445 31.001 ( 3.791 19.114 6.880) 20.665 31.141 ( 3.351 21.161 -6.882) 22.503 31.427 ( -17.573 24.806 7.881) 31.405 31.577 ( -16.360 19.913 -6.880) 26.674 34.610 ( 6.223 -3.654 4.485) 8.496 34.711 ( 4.275 -4.005 -5.360) 7.940 34.923 ( 5.953 -4.094 3.976) 8.246 35.060 ( 1.564 -5.210 -9.169) 10.661 107.446 ( 0.148 0.276 0.100) 0.328 107.449 ( 0.035 0.230 -0.199) 0.306 107.544 ( -0.193 -0.467 0.783) 0.932 107.552 ( -0.599 -0.620 -0.029) 0.862 ======================= Grid point 199 (68/80) ======================= q-point: (-0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -5.039 6.877 4.369) 9.579 2.707 ( 5.039 6.877 4.369) 9.579 2.873 ( -2.188 12.912 4.175) 13.746 2.873 ( 2.188 12.912 4.175) 13.746 3.649 ( -3.271 20.293 2.264) 20.679 3.649 ( 3.271 20.293 2.264) 20.679 3.922 ( -5.109 6.063 -2.568) 8.334 3.922 ( 5.109 6.063 -2.568) 8.334 4.254 ( -4.126 1.416 1.665) 4.669 4.254 ( 4.126 1.416 1.665) 4.669 4.507 ( -5.094 -4.849 -3.147) 7.705 4.507 ( 5.094 -4.849 -3.147) 7.705 4.840 ( -1.013 1.140 7.815) 7.962 4.840 ( 1.013 1.140 7.815) 7.962 5.062 ( -3.844 9.608 -12.059) 15.890 5.062 ( 3.844 9.608 -12.059) 15.890 5.544 ( -1.878 11.950 1.581) 12.199 5.544 ( 1.878 11.950 1.581) 12.199 5.636 ( -3.342 14.267 -0.832) 14.677 5.636 ( 3.342 14.267 -0.832) 14.677 6.013 ( -4.063 7.473 -6.622) 10.780 6.013 ( 4.063 7.473 -6.622) 10.780 6.620 ( -16.450 5.862 17.392) 24.646 6.620 ( 16.450 5.862 17.392) 24.646 7.084 ( -7.893 7.432 -4.077) 11.583 7.084 ( 7.893 7.432 -4.077) 11.583 7.724 ( -12.489 -18.638 0.652) 22.445 7.724 ( 12.489 -18.638 0.652) 22.445 7.866 ( -5.529 -19.260 -3.430) 20.329 7.866 ( 5.529 -19.260 -3.430) 20.329 8.281 ( -0.674 10.164 -3.713) 10.842 8.281 ( 0.674 10.164 -3.713) 10.842 8.637 ( -2.656 12.372 1.727) 12.771 8.637 ( 2.656 12.372 1.727) 12.771 9.100 ( -1.728 -0.643 0.187) 1.853 9.100 ( 1.728 -0.643 0.187) 1.853 9.186 ( -4.126 2.439 2.725) 5.514 9.186 ( 4.126 2.439 2.725) 5.514 9.320 ( -4.739 -3.889 -0.922) 6.200 9.320 ( 4.739 -3.889 -0.922) 6.200 9.807 ( -1.039 7.687 -0.770) 7.794 9.807 ( 1.039 7.687 -0.770) 7.794 10.538 ( -5.127 -14.260 10.169) 18.249 10.538 ( 5.127 -14.260 10.169) 18.249 11.257 ( -5.951 -10.114 -2.115) 11.924 11.257 ( 5.951 -10.114 -2.115) 11.924 11.329 ( -2.361 -11.265 0.671) 11.530 11.329 ( 2.361 -11.265 0.671) 11.530 11.717 ( -3.799 4.524 -0.575) 5.935 11.717 ( 3.799 4.524 -0.575) 5.935 11.935 ( -0.467 -1.157 -1.798) 2.189 11.935 ( 0.467 -1.157 -1.798) 2.189 12.099 ( -1.762 -5.902 -0.476) 6.178 12.099 ( 1.762 -5.902 -0.476) 6.178 12.581 ( -2.774 -7.686 -2.696) 8.604 12.581 ( 2.774 -7.686 -2.696) 8.604 12.979 ( -4.063 0.166 4.139) 5.802 12.979 ( 4.063 0.166 4.139) 5.802 13.087 ( -1.311 4.571 -5.743) 7.456 13.087 ( 1.311 4.571 -5.743) 7.456 13.360 ( -1.563 8.022 -2.957) 8.691 13.360 ( 1.563 8.022 -2.957) 8.691 13.859 ( -3.538 2.844 -0.514) 4.568 13.859 ( 3.538 2.844 -0.514) 4.568 14.402 ( -3.039 0.173 1.236) 3.285 14.402 ( 3.039 0.173 1.236) 3.285 14.945 ( -0.919 -11.500 0.692) 11.557 14.945 ( 0.919 -11.500 0.692) 11.557 16.359 ( -1.006 0.096 -1.859) 2.116 16.359 ( 1.006 0.096 -1.859) 2.116 16.815 ( -1.556 -9.564 -0.190) 9.692 16.815 ( 1.556 -9.564 -0.190) 9.692 17.392 ( -4.262 3.725 1.326) 5.814 17.392 ( 4.262 3.725 1.326) 5.814 17.437 ( -3.225 11.085 -0.476) 11.554 17.437 ( 3.225 11.085 -0.476) 11.554 18.218 ( -1.672 4.157 -0.247) 4.487 18.218 ( 1.672 4.157 -0.247) 4.487 18.797 ( -2.525 -16.725 -1.173) 16.955 18.797 ( 2.525 -16.725 -1.173) 16.955 19.536 ( -2.012 16.959 0.044) 17.078 19.536 ( 2.012 16.959 0.044) 17.078 19.915 ( -0.878 5.750 0.496) 5.837 19.915 ( 0.878 5.750 0.496) 5.837 27.372 ( -3.461 -0.466 3.492) 4.938 27.372 ( 3.461 -0.466 3.492) 4.938 27.491 ( -4.404 -2.973 -1.171) 5.441 27.491 ( 4.404 -2.973 -1.171) 5.441 28.497 ( -2.426 0.692 1.419) 2.895 28.497 ( 2.426 0.692 1.419) 2.895 28.847 ( -1.195 -3.964 -0.013) 4.141 28.847 ( 1.195 -3.964 -0.013) 4.141 30.047 ( -5.833 -15.615 10.729) 19.823 30.047 ( 5.833 -15.615 10.729) 19.823 30.413 ( -4.495 -21.087 -7.340) 22.776 30.413 ( 4.495 -21.087 -7.340) 22.776 31.119 ( -7.621 23.670 6.762) 25.770 31.119 ( 7.621 23.670 6.762) 25.770 31.315 ( -8.408 20.614 -6.843) 23.291 31.315 ( 8.408 20.614 -6.843) 23.291 34.705 ( -3.096 -3.065 1.957) 4.775 34.705 ( 3.096 -3.065 1.957) 4.775 35.039 ( -3.860 -5.931 -5.089) 8.716 35.039 ( 3.860 -5.931 -5.089) 8.716 107.449 ( -0.087 0.293 -0.044) 0.309 107.449 ( 0.087 0.293 -0.044) 0.309 107.544 ( -0.208 -0.508 0.376) 0.665 107.544 ( 0.208 -0.508 0.376) 0.665 ======================= Grid point 203 (69/80) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 0.000 15.114 8.977) 17.579 2.487 ( 0.000 11.124 0.975) 11.167 2.802 ( 0.000 17.723 15.711) 23.684 3.037 ( 0.000 10.076 -8.668) 13.291 3.461 ( 0.000 -0.139 8.120) 8.121 3.605 ( 0.000 4.100 3.010) 5.086 3.728 ( 0.000 -4.583 -8.212) 9.404 3.864 ( 0.000 -1.217 -12.121) 12.182 4.348 ( 0.000 -1.410 4.320) 4.545 4.415 ( 0.000 -0.916 -2.287) 2.464 4.697 ( 0.000 -0.540 7.835) 7.854 4.911 ( 0.000 1.090 -10.060) 10.119 5.024 ( 0.000 12.017 8.707) 14.840 5.089 ( 0.000 16.648 3.673) 17.048 5.328 ( 0.000 0.383 15.412) 15.417 5.330 ( 0.000 8.970 1.882) 9.165 5.559 ( 0.000 -3.080 -15.797) 16.094 5.734 ( 0.000 9.622 -8.491) 12.833 5.897 ( 0.000 26.937 -4.013) 27.234 6.034 ( 0.000 31.390 -5.514) 31.871 6.273 ( 0.000 34.837 21.442) 40.907 6.361 ( 0.000 4.013 11.901) 12.560 6.448 ( 0.000 19.892 -7.021) 21.095 6.880 ( 0.000 31.542 -26.656) 41.297 7.041 ( 0.000 -5.257 9.783) 11.106 7.157 ( 0.000 3.141 -0.719) 3.222 7.654 ( 0.000 10.474 3.318) 10.987 7.668 ( 0.000 -1.874 3.960) 4.381 7.857 ( 0.000 -3.048 8.136) 8.688 7.874 ( 0.000 4.332 0.046) 4.332 8.052 ( 0.000 -2.360 -13.729) 13.931 8.065 ( 0.000 -12.314 -12.376) 17.459 8.889 ( 0.000 0.173 8.130) 8.132 9.012 ( 0.000 1.465 -1.543) 2.128 9.121 ( 0.000 -0.561 4.653) 4.687 9.233 ( 0.000 -4.133 -3.596) 5.478 9.298 ( 0.000 -6.267 4.255) 7.575 9.375 ( 0.000 -1.369 -3.470) 3.730 9.792 ( 0.000 11.597 3.498) 12.113 9.863 ( 0.000 9.283 -4.005) 10.110 10.084 ( 0.000 -3.420 3.813) 5.122 10.152 ( 0.000 -1.037 -3.041) 3.213 10.273 ( 0.000 -8.662 10.363) 13.506 10.341 ( 0.000 2.348 0.099) 2.350 10.510 ( 0.000 -0.714 0.240) 0.753 10.590 ( 0.000 -16.234 -5.606) 17.175 11.057 ( 0.000 -17.643 8.010) 19.376 11.167 ( 0.000 -15.312 -2.077) 15.452 11.381 ( 0.000 -22.848 1.777) 22.917 11.437 ( 0.000 -25.024 -2.627) 25.162 11.586 ( 0.000 -4.439 9.435) 10.427 11.844 ( 0.000 -5.077 -15.957) 16.745 12.056 ( 0.000 -7.061 4.831) 8.556 12.074 ( 0.000 -6.327 3.126) 7.057 12.592 ( 0.000 3.123 1.196) 3.345 12.660 ( 0.000 1.301 -5.306) 5.463 12.962 ( 0.000 2.695 2.005) 3.359 13.044 ( 0.000 0.820 -6.401) 6.453 13.238 ( 0.000 6.838 4.253) 8.053 13.293 ( 0.000 5.845 0.026) 5.845 13.483 ( 0.000 1.503 -2.428) 2.856 13.509 ( 0.000 5.026 -2.507) 5.617 13.908 ( 0.000 -1.712 8.063) 8.243 14.060 ( 0.000 -3.684 -7.314) 8.189 14.460 ( 0.000 -10.016 5.855) 11.602 14.534 ( 0.000 -8.135 1.422) 8.258 14.546 ( 0.000 -0.888 -2.255) 2.424 14.552 ( 0.000 -21.024 -0.781) 21.039 16.379 ( 0.000 0.475 2.401) 2.447 16.434 ( 0.000 -1.467 -3.259) 3.574 16.655 ( 0.000 -2.288 2.610) 3.470 16.731 ( 0.000 -3.211 -4.856) 5.821 17.506 ( 0.000 8.589 3.666) 9.338 17.524 ( 0.000 3.562 1.239) 3.771 17.637 ( 0.000 1.257 2.552) 2.845 17.742 ( 0.000 4.574 -7.689) 8.946 17.952 ( 0.000 6.893 1.478) 7.049 17.985 ( 0.000 6.447 -1.988) 6.746 18.597 ( 0.000 -5.623 5.732) 8.030 18.711 ( 0.000 -8.215 -5.999) 10.172 19.607 ( 0.000 11.355 2.210) 11.568 19.670 ( 0.000 11.522 -4.110) 12.233 20.094 ( 0.000 11.903 5.049) 12.930 20.215 ( 0.000 14.599 -8.127) 16.709 27.133 ( 0.000 -1.818 2.249) 2.892 27.172 ( 0.000 -2.996 -1.569) 3.382 27.531 ( 0.000 -1.107 4.486) 4.620 27.611 ( 0.000 -3.121 -3.091) 4.393 28.435 ( 0.000 0.182 9.441) 9.442 28.612 ( 0.000 -2.514 -7.359) 7.777 28.786 ( 0.000 -1.716 0.494) 1.786 28.797 ( 0.000 -4.025 0.635) 4.075 29.593 ( 0.000 -9.165 5.928) 10.915 29.727 ( 0.000 -13.909 -7.437) 15.772 30.023 ( 0.000 -15.728 9.317) 18.281 30.193 ( 0.000 -17.280 -8.122) 19.094 31.306 ( 0.000 18.094 8.333) 19.921 31.470 ( 0.000 17.525 -8.298) 19.390 32.344 ( 0.000 10.807 6.315) 12.517 32.484 ( 0.000 11.870 -8.364) 14.521 34.211 ( 0.000 -4.326 6.358) 7.690 34.283 ( 0.000 -5.819 -1.210) 5.943 34.838 ( 0.000 -1.257 2.066) 2.418 34.912 ( 0.000 -2.946 -5.080) 5.873 107.448 ( 0.000 0.364 0.139) 0.389 107.451 ( 0.000 0.280 -0.118) 0.304 107.540 ( 0.000 -0.672 0.903) 1.125 107.550 ( 0.000 -1.079 -0.073) 1.081 ======================= Grid point 204 (70/80) ======================= q-point: ( 0.17 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 9.777 15.570 9.577) 20.730 2.606 ( 10.928 12.064 0.170) 16.278 2.949 ( 10.974 17.873 12.202) 24.265 3.136 ( 7.331 12.224 -7.133) 15.939 3.424 ( 1.829 0.440 10.148) 10.321 3.681 ( 5.014 -0.984 -12.612) 13.608 3.821 ( 10.319 -1.806 3.599) 11.077 3.963 ( 7.998 -2.581 -7.838) 11.492 4.336 ( -1.137 0.118 2.815) 3.038 4.374 ( -4.200 2.200 -0.167) 4.744 4.661 ( -3.915 1.289 5.528) 6.896 4.790 ( -9.435 13.703 -5.921) 17.659 4.952 ( -4.227 9.503 12.945) 16.606 5.115 ( -1.124 9.511 -2.256) 9.839 5.269 ( -3.956 10.832 -3.035) 11.925 5.386 ( -0.879 -1.061 3.002) 3.303 5.499 ( 0.403 -0.851 -4.092) 4.199 5.765 ( 1.145 7.772 -3.263) 8.506 5.925 ( 1.066 23.695 -4.245) 24.096 6.030 ( 1.969 22.680 -6.684) 23.726 6.323 ( -3.716 8.060 9.416) 12.940 6.374 ( 2.298 24.649 4.230) 25.114 6.424 ( 4.459 23.650 10.786) 26.373 6.896 ( 1.876 30.101 -19.599) 35.968 7.051 ( 1.487 -0.245 4.335) 4.589 7.133 ( -1.820 1.916 -0.600) 2.710 7.561 ( -3.929 1.442 5.020) 6.536 7.680 ( -3.924 1.788 -6.549) 7.841 7.846 ( -1.889 0.348 3.947) 4.390 7.911 ( -2.415 -10.641 4.340) 11.743 8.076 ( 6.965 -0.814 -5.890) 9.158 8.166 ( 9.666 3.132 -10.231) 14.419 8.872 ( -1.455 0.377 8.773) 8.901 9.006 ( -0.752 -0.780 -3.468) 3.633 9.085 ( -2.987 2.287 4.397) 5.787 9.177 ( -5.941 -0.080 -3.553) 6.923 9.291 ( -0.689 -4.711 3.586) 5.960 9.349 ( -2.242 -0.424 -2.266) 3.216 9.646 ( -14.529 -0.622 1.885) 14.664 9.691 ( -16.188 0.344 -2.243) 16.347 9.954 ( -5.541 4.132 7.155) 9.948 10.042 ( -0.957 8.562 -2.758) 9.046 10.272 ( -2.001 -6.385 3.751) 7.670 10.293 ( -3.213 -0.920 1.330) 3.597 10.744 ( 13.536 -7.451 0.755) 15.469 10.788 ( 13.530 -15.377 -2.692) 20.658 11.074 ( 0.710 -16.940 4.268) 17.483 11.148 ( -1.839 -15.545 -1.869) 15.764 11.393 ( 2.190 -23.204 5.583) 23.966 11.495 ( 3.980 -22.605 -3.580) 23.231 11.620 ( 3.413 -6.831 7.747) 10.877 11.833 ( -0.596 -5.719 -12.754) 13.990 12.041 ( -0.236 -4.496 6.599) 7.988 12.126 ( 3.451 -4.016 -0.458) 5.315 12.533 ( -5.226 2.111 1.591) 5.857 12.629 ( -2.588 1.780 -6.991) 7.664 12.983 ( 0.306 0.291 1.296) 1.363 13.064 ( 2.180 0.801 -5.060) 5.567 13.170 ( -6.295 5.636 2.412) 8.787 13.247 ( -2.454 7.236 -2.524) 8.047 13.464 ( 0.128 4.726 2.116) 5.180 13.524 ( 0.577 5.415 -3.916) 6.707 13.887 ( -1.615 -0.477 6.898) 7.100 14.021 ( -3.007 -2.223 -6.441) 7.448 14.487 ( -2.391 -5.774 3.065) 6.960 14.515 ( 3.182 -6.699 1.743) 7.618 14.552 ( 0.440 -18.177 1.282) 18.228 14.594 ( 1.792 -8.994 -1.713) 9.330 16.376 ( -0.240 0.782 1.748) 1.930 16.422 ( -1.077 -0.640 -3.063) 3.309 16.650 ( -0.466 -3.060 2.197) 3.796 16.720 ( -1.067 -4.004 -4.651) 6.229 17.472 ( -1.621 8.344 3.478) 9.184 17.524 ( -0.990 7.021 -1.382) 7.224 17.639 ( 0.435 3.571 3.049) 4.716 17.713 ( -1.244 6.322 -4.254) 7.720 18.039 ( 6.653 3.464 0.645) 7.528 18.065 ( 7.056 2.658 -2.012) 7.804 18.572 ( -2.434 -6.306 5.359) 8.626 18.679 ( -3.095 -8.697 -5.667) 10.832 19.652 ( 4.231 11.532 2.983) 12.640 19.722 ( 4.678 11.452 -4.064) 13.021 20.080 ( -1.251 11.123 4.916) 12.225 20.195 ( -1.944 13.577 -7.440) 15.604 27.164 ( 3.028 -1.829 2.326) 4.234 27.203 ( 3.052 -2.982 -1.455) 4.508 27.513 ( -1.854 -1.321 4.396) 4.950 27.589 ( -2.187 -3.327 -2.869) 4.908 28.446 ( 1.081 0.448 8.590) 8.669 28.599 ( -1.269 -1.529 -5.646) 5.986 28.775 ( -0.992 -2.209 0.450) 2.463 28.786 ( -0.941 -4.457 -0.343) 4.568 29.620 ( 2.655 -9.274 6.769) 11.785 29.764 ( 3.255 -13.329 -7.365) 15.572 30.002 ( -1.879 -15.615 8.699) 17.973 30.172 ( -2.100 -17.220 -8.364) 19.259 31.325 ( 2.021 18.165 8.114) 19.998 31.481 ( 1.406 17.348 -7.810) 19.077 32.213 ( -12.003 13.055 3.431) 18.063 32.271 ( -17.652 15.145 -2.359) 23.378 34.358 ( 8.500 -5.973 1.516) 10.498 34.375 ( 11.195 -6.540 -0.187) 12.967 34.831 ( -0.584 -1.803 3.202) 3.721 34.924 ( 0.898 -4.152 -5.841) 7.222 107.450 ( 0.182 0.419 0.139) 0.478 107.453 ( 0.175 0.339 -0.119) 0.400 107.537 ( -0.273 -0.683 0.823) 1.104 107.545 ( -0.412 -1.008 -0.007) 1.089 ======================= Grid point 205 (71/80) ======================= q-point: ( 0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 12.470 15.986 8.528) 21.995 2.856 ( 11.370 13.341 -1.162) 17.568 3.116 ( 5.779 18.887 7.731) 21.210 3.198 ( 0.053 16.612 0.215) 16.613 3.634 ( 13.510 -1.788 2.840) 13.921 3.789 ( 3.586 -3.810 -11.378) 12.523 4.088 ( 12.265 -1.760 4.161) 13.071 4.131 ( 9.359 2.620 1.605) 9.850 4.251 ( -6.279 8.398 3.734) 11.131 4.331 ( 1.505 0.264 -1.792) 2.355 4.546 ( -5.147 11.335 3.528) 12.939 4.637 ( -5.060 14.352 -5.089) 16.046 4.889 ( -2.438 4.314 11.114) 12.169 5.007 ( -8.629 11.605 2.482) 14.673 5.194 ( -3.409 7.904 -11.484) 14.352 5.273 ( -5.937 0.016 -16.417) 17.458 5.601 ( 5.085 -0.926 9.101) 10.466 5.746 ( -2.886 2.738 0.080) 3.979 5.946 ( 2.403 21.653 2.953) 21.985 6.103 ( 3.371 13.449 -11.483) 18.003 6.209 ( -6.364 15.389 4.973) 17.380 6.314 ( -3.990 3.385 -3.481) 6.285 6.679 ( 15.624 36.052 17.699) 43.094 6.950 ( 2.547 19.105 -3.562) 19.601 7.104 ( 0.261 0.951 -0.216) 1.010 7.143 ( 8.199 2.323 -3.096) 9.066 7.499 ( -6.611 2.306 -1.250) 7.112 7.554 ( -3.856 -2.725 -5.880) 7.541 7.719 ( -13.950 -8.875 3.519) 16.904 7.767 ( -6.167 1.860 -0.691) 6.479 8.290 ( 11.355 2.404 4.041) 12.290 8.398 ( 10.552 9.771 -7.836) 16.377 8.833 ( -2.129 4.242 8.576) 9.801 8.982 ( -3.473 3.306 -5.463) 7.269 9.013 ( -4.805 -0.592 1.396) 5.038 9.034 ( -2.881 0.893 -0.506) 3.058 9.268 ( -2.667 -1.915 3.134) 4.538 9.300 ( -1.860 -0.347 -0.533) 1.966 9.340 ( -13.159 -8.557 3.001) 15.980 9.396 ( -10.044 1.357 -2.786) 10.511 9.940 ( 2.219 6.679 7.269) 10.118 10.035 ( -0.238 12.432 -2.474) 12.678 10.215 ( -3.224 -15.310 2.363) 15.824 10.234 ( -2.661 -7.520 -0.286) 7.982 10.946 ( 6.282 -10.358 2.327) 12.335 11.000 ( 6.951 -14.203 -0.909) 15.839 11.062 ( -1.669 -16.400 1.665) 16.569 11.114 ( -1.089 -12.911 -1.231) 13.015 11.464 ( 4.353 -21.370 5.305) 22.445 11.553 ( 1.316 -21.490 -2.712) 21.700 11.705 ( 4.479 -10.225 5.926) 12.638 11.829 ( -0.499 -9.288 -3.778) 10.040 12.051 ( 1.689 2.022 2.814) 3.855 12.178 ( 0.377 1.476 -6.943) 7.108 12.431 ( -3.053 -2.604 3.075) 5.055 12.558 ( -4.747 -1.130 -8.850) 10.106 12.954 ( -1.551 -0.329 1.802) 2.400 13.023 ( -5.107 2.248 -2.937) 6.305 13.159 ( 4.787 5.684 1.317) 7.547 13.243 ( 0.975 6.934 -5.024) 8.619 13.483 ( 1.127 6.960 2.232) 7.396 13.531 ( -0.151 6.367 -2.878) 6.989 13.875 ( 1.324 2.150 4.316) 5.000 13.973 ( -1.394 1.439 -5.083) 5.464 14.420 ( -3.655 -1.748 5.214) 6.603 14.492 ( -4.369 -3.577 -1.889) 5.954 14.602 ( 2.503 -16.352 1.560) 16.616 14.618 ( 0.967 -16.173 0.135) 16.202 16.371 ( -0.189 1.341 0.314) 1.390 16.395 ( -1.396 0.928 -2.315) 2.858 16.644 ( 0.055 -4.799 0.626) 4.840 16.690 ( -1.786 -5.382 -3.745) 6.796 17.462 ( 0.541 7.589 2.007) 7.869 17.500 ( -0.992 7.057 -1.890) 7.373 17.656 ( 1.214 8.823 2.810) 9.339 17.700 ( -0.470 9.432 -1.691) 9.594 18.181 ( 6.995 0.788 1.522) 7.202 18.221 ( 7.433 -0.271 -2.569) 7.869 18.507 ( -3.618 -9.071 4.175) 10.621 18.592 ( -5.326 -10.329 -4.640) 12.514 19.759 ( 5.773 12.153 3.624) 13.934 19.825 ( 4.481 12.743 -2.770) 13.789 20.050 ( -1.363 8.692 3.622) 9.515 20.137 ( -3.729 10.997 -5.399) 12.806 27.248 ( 5.092 -1.814 2.686) 6.036 27.291 ( 5.423 -2.988 -1.424) 6.353 27.455 ( -3.863 -1.844 4.036) 5.883 27.522 ( -4.514 -3.653 -2.322) 6.254 28.476 ( 1.831 1.052 6.155) 6.507 28.563 ( -2.171 0.349 -1.674) 2.763 28.756 ( -0.645 -3.499 -0.098) 3.560 28.766 ( -0.918 -5.051 -1.458) 5.337 29.694 ( 4.466 -9.469 7.817) 13.066 29.825 ( 1.345 -11.194 -2.042) 11.458 29.969 ( -0.186 -16.352 2.463) 16.538 30.110 ( -3.933 -16.947 -8.666) 19.437 31.400 ( 5.920 18.693 7.698) 21.065 31.542 ( 5.006 17.265 -6.568) 19.138 31.881 ( -17.795 18.921 4.810) 26.416 31.949 ( -14.194 15.808 -2.038) 21.343 34.515 ( 7.370 -5.178 3.490) 9.659 34.600 ( 7.641 -6.467 -5.241) 11.300 34.825 ( 0.832 -4.859 4.049) 6.379 34.930 ( -0.706 -6.865 -6.365) 9.388 107.455 ( 0.229 0.538 0.116) 0.596 107.457 ( 0.163 0.489 -0.082) 0.522 107.531 ( -0.239 -0.744 0.620) 0.997 107.536 ( -0.458 -0.901 0.143) 1.021 ======================= Grid point 206 (72/80) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( -3.507 15.294 2.640) 15.911 2.944 ( 3.507 15.294 2.640) 15.911 3.198 ( -1.408 18.676 5.254) 19.452 3.198 ( 1.408 18.676 5.254) 19.452 3.786 ( -3.014 -0.868 -4.533) 5.513 3.786 ( 3.014 -0.868 -4.533) 5.513 4.163 ( -1.752 3.283 1.772) 4.122 4.163 ( 1.752 3.283 1.772) 4.122 4.366 ( -6.267 1.735 5.707) 8.652 4.366 ( 6.267 1.735 5.707) 8.652 4.540 ( -5.110 14.223 -2.126) 15.262 4.540 ( 5.110 14.223 -2.126) 15.262 4.864 ( -2.594 7.463 5.433) 9.589 4.864 ( 2.594 7.463 5.433) 9.589 5.180 ( -2.863 3.625 -16.649) 17.278 5.180 ( 2.863 3.625 -16.649) 17.278 5.677 ( -3.362 0.141 4.749) 5.820 5.677 ( 3.362 0.141 4.749) 5.820 6.038 ( -6.289 18.183 4.423) 19.742 6.038 ( 6.289 18.183 4.423) 19.742 6.222 ( -4.802 7.379 -8.249) 12.064 6.222 ( 4.802 7.379 -8.249) 12.064 6.927 ( -6.256 24.441 7.973) 26.459 6.927 ( 6.256 24.441 7.973) 26.459 7.245 ( -13.907 3.888 1.345) 14.503 7.245 ( 13.907 3.888 1.345) 14.503 7.381 ( -13.976 -10.128 -1.821) 17.356 7.381 ( 13.976 -10.128 -1.821) 17.356 7.635 ( -5.608 5.423 -2.491) 8.189 7.635 ( 5.608 5.423 -2.491) 8.189 8.466 ( -4.507 7.302 0.006) 8.581 8.466 ( 4.507 7.302 0.006) 8.581 8.855 ( -5.002 8.822 0.771) 10.171 8.855 ( 5.002 8.822 0.771) 10.171 9.013 ( -0.593 -7.261 -0.906) 7.341 9.013 ( 0.593 -7.261 -0.906) 7.341 9.194 ( -0.446 -3.974 4.396) 5.943 9.194 ( 0.447 -3.974 4.396) 5.943 9.300 ( -1.483 2.840 -1.988) 3.771 9.300 ( 1.483 2.840 -1.988) 3.771 10.005 ( -3.183 9.973 3.184) 10.942 10.005 ( 3.183 9.973 3.184) 10.942 10.187 ( -1.171 -15.987 -0.739) 16.047 10.187 ( 1.171 -15.987 -0.739) 16.047 11.020 ( -2.152 -13.022 3.759) 13.723 11.020 ( 2.152 -13.022 3.759) 13.723 11.088 ( -2.136 -12.883 -2.046) 13.218 11.088 ( 2.136 -12.883 -2.046) 13.218 11.541 ( -2.557 -20.871 1.170) 21.060 11.541 ( 2.557 -20.871 1.170) 21.060 11.787 ( -3.454 -10.845 4.350) 12.185 11.787 ( 3.454 -10.845 4.350) 12.185 12.121 ( -4.609 4.847 -5.418) 8.608 12.121 ( 4.609 4.847 -5.418) 8.608 12.454 ( -4.472 -5.220 -3.902) 7.904 12.454 ( 4.472 -5.220 -3.902) 7.904 12.956 ( -1.732 1.885 0.618) 2.633 12.956 ( 1.732 1.885 0.618) 2.633 13.238 ( -2.221 5.982 -2.578) 6.882 13.238 ( 2.221 5.982 -2.578) 6.882 13.509 ( -1.615 6.661 -0.383) 6.864 13.509 ( 1.615 6.661 -0.383) 6.864 13.935 ( -3.267 4.041 -0.267) 5.203 13.935 ( 3.267 4.041 -0.267) 5.203 14.400 ( -2.777 -0.536 1.387) 3.150 14.400 ( 2.777 -0.536 1.387) 3.150 14.629 ( -0.210 -17.890 0.711) 17.905 14.629 ( 0.210 -17.890 0.711) 17.905 16.374 ( -0.602 1.596 -1.116) 2.038 16.374 ( 0.602 1.596 -1.116) 2.038 16.657 ( -1.270 -5.859 -1.776) 6.252 16.657 ( 1.270 -5.859 -1.776) 6.252 17.481 ( -1.041 6.178 0.003) 6.265 17.481 ( 1.041 6.178 0.003) 6.265 17.683 ( -1.257 11.473 0.697) 11.563 17.683 ( 1.257 11.473 0.697) 11.563 18.292 ( -2.405 2.254 0.583) 3.347 18.292 ( 2.405 2.254 0.583) 3.347 18.487 ( -3.550 -13.472 -1.287) 13.991 18.487 ( 3.550 -13.472 -1.287) 13.991 19.852 ( -2.446 13.810 1.870) 14.149 19.852 ( 2.446 13.810 1.870) 14.149 20.061 ( -2.972 7.773 -1.681) 8.489 20.061 ( 2.972 7.773 -1.681) 8.489 27.354 ( -4.675 -1.349 2.976) 5.704 27.354 ( 4.675 -1.349 2.976) 5.704 27.416 ( -5.330 -4.012 -1.361) 6.809 27.416 ( 5.330 -4.012 -1.361) 6.809 28.517 ( -2.237 1.296 2.553) 3.634 28.517 ( 2.237 1.296 2.553) 3.634 28.753 ( -0.323 -4.737 -1.082) 4.870 28.753 ( 0.323 -4.737 -1.082) 4.870 29.786 ( -4.145 -9.848 7.126) 12.843 29.786 ( 4.145 -9.848 7.126) 12.843 30.022 ( -4.410 -16.714 -7.435) 18.817 30.022 ( 4.410 -16.714 -7.435) 18.817 31.575 ( -11.503 19.916 7.009) 24.044 31.575 ( 11.503 19.916 7.009) 24.044 31.699 ( -9.946 16.584 -4.858) 19.939 31.699 ( 9.946 16.584 -4.858) 19.939 34.630 ( -3.407 -3.795 1.125) 5.222 34.630 ( 3.407 -3.795 1.125) 5.222 34.885 ( -3.715 -8.652 -3.440) 10.024 34.885 ( 3.715 -8.652 -3.440) 10.024 107.458 ( -0.061 0.595 0.026) 0.599 107.458 ( 0.061 0.595 0.026) 0.599 107.530 ( -0.130 -0.833 0.360) 0.916 107.530 ( 0.130 -0.833 0.360) 0.916 ======================= Grid point 210 (73/80) ======================= q-point: ( 0.00 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 0.000 10.876 1.615) 10.995 2.735 ( 0.000 14.532 0.504) 14.540 3.165 ( 0.000 14.467 3.497) 14.884 3.187 ( 0.000 1.783 -0.313) 1.810 3.488 ( 0.000 5.416 4.063) 6.770 3.593 ( 0.000 -3.704 -6.349) 7.350 3.707 ( 0.000 1.383 7.245) 7.376 3.847 ( 0.000 -2.648 -6.284) 6.819 4.327 ( 0.000 -0.279 3.985) 3.995 4.381 ( 0.000 -2.183 -1.150) 2.467 4.687 ( 0.000 1.008 8.755) 8.812 4.895 ( 0.000 -3.048 -3.563) 4.689 4.992 ( 0.000 -4.090 1.882) 4.502 5.182 ( 0.000 -5.897 -8.131) 10.044 5.404 ( 0.000 7.047 18.792) 20.069 5.555 ( 0.000 5.616 -2.498) 6.146 5.598 ( 0.000 6.158 -5.468) 8.235 5.842 ( 0.000 1.479 -16.401) 16.467 6.202 ( 0.000 -4.693 1.454) 4.913 6.366 ( 0.000 -0.432 -7.862) 7.874 6.550 ( 0.000 26.147 9.544) 27.834 6.747 ( 0.000 12.977 -11.782) 17.527 6.962 ( 0.000 15.706 21.350) 26.505 7.264 ( 0.000 30.212 21.775) 37.241 7.374 ( 0.000 16.704 -12.481) 20.852 7.387 ( 0.000 -8.161 1.056) 8.229 7.602 ( 0.000 -3.707 -0.472) 3.737 7.822 ( 0.000 33.736 -18.697) 38.570 7.930 ( 0.000 6.109 8.866) 10.767 8.173 ( 0.000 11.587 -14.555) 18.604 8.254 ( 0.000 35.006 0.018) 35.006 8.279 ( 0.000 29.678 -3.683) 29.906 8.807 ( 0.000 -8.081 3.692) 8.885 8.884 ( 0.000 -12.149 -3.625) 12.679 8.886 ( 0.000 -22.865 10.473) 25.149 9.032 ( 0.000 -14.653 -3.329) 15.026 9.323 ( 0.000 3.530 1.499) 3.835 9.354 ( 0.000 2.364 -2.814) 3.675 9.759 ( 0.000 -20.951 10.822) 23.581 9.881 ( 0.000 -18.583 -1.950) 18.685 9.986 ( 0.000 6.666 0.186) 6.668 10.039 ( 0.000 -2.387 -5.401) 5.905 10.200 ( 0.000 -6.067 5.454) 8.158 10.239 ( 0.000 -13.086 0.378) 13.091 10.393 ( 0.000 -3.399 3.163) 4.643 10.482 ( 0.000 -7.914 -6.022) 9.945 10.851 ( 0.000 -4.238 4.901) 6.479 10.942 ( 0.000 -7.424 -3.561) 8.234 10.956 ( 0.000 -9.661 5.131) 10.939 11.071 ( 0.000 -1.026 -6.235) 6.319 11.404 ( 0.000 -12.216 12.583) 17.537 11.648 ( 0.000 -14.178 -11.307) 18.134 11.947 ( 0.000 -3.333 6.856) 7.623 11.973 ( 0.000 -3.715 4.910) 6.157 12.702 ( 0.000 6.948 -3.420) 7.744 12.751 ( 0.000 6.484 -7.679) 10.050 12.984 ( 0.000 -0.702 -2.132) 2.244 13.004 ( 0.000 -4.079 -5.596) 6.925 13.346 ( 0.000 3.814 4.042) 5.557 13.373 ( 0.000 2.281 2.049) 3.067 13.547 ( 0.000 4.623 3.428) 5.755 13.623 ( 0.000 5.897 -3.034) 6.632 13.852 ( 0.000 -4.152 7.124) 8.245 13.983 ( 0.000 -4.185 -6.096) 7.394 14.144 ( 0.000 -13.274 1.823) 13.398 14.154 ( 0.000 -16.175 1.085) 16.212 14.508 ( 0.000 0.184 1.243) 1.257 14.530 ( 0.000 -0.730 -1.079) 1.302 16.441 ( 0.000 4.395 -1.112) 4.534 16.449 ( 0.000 2.276 -2.162) 3.139 16.605 ( 0.000 -2.536 1.942) 3.194 16.661 ( 0.000 -3.687 -3.616) 5.165 17.582 ( 0.000 2.186 1.500) 2.651 17.604 ( 0.000 1.364 -0.584) 1.484 17.716 ( 0.000 6.261 4.670) 7.811 17.820 ( 0.000 2.803 -5.947) 6.574 18.051 ( 0.000 2.543 0.777) 2.659 18.055 ( 0.000 0.943 0.367) 1.012 18.514 ( 0.000 -2.486 2.593) 3.592 18.569 ( 0.000 -5.455 -3.145) 6.296 19.787 ( 0.000 6.460 1.781) 6.701 19.834 ( 0.000 4.694 -3.035) 5.590 20.348 ( 0.000 11.562 4.552) 12.425 20.458 ( 0.000 7.905 -7.096) 10.623 27.100 ( 0.000 -1.170 1.278) 1.733 27.118 ( 0.000 -2.125 -0.271) 2.142 27.505 ( 0.000 -1.220 2.017) 2.358 27.541 ( 0.000 -3.285 -1.411) 3.575 28.439 ( 0.000 0.470 5.971) 5.990 28.538 ( 0.000 -4.151 -3.095) 5.178 28.742 ( 0.000 -1.174 1.276) 1.734 28.762 ( 0.000 -0.947 -1.757) 1.997 29.455 ( 0.000 -4.335 1.356) 4.543 29.506 ( 0.000 -7.582 -3.669) 8.423 29.814 ( 0.000 -5.312 4.345) 6.863 29.914 ( 0.000 -9.953 -5.763) 11.501 31.635 ( 0.000 13.417 6.999) 15.133 31.754 ( 0.000 9.310 -4.918) 10.530 32.514 ( 0.000 6.326 5.091) 8.121 32.628 ( 0.000 2.641 -6.543) 7.056 34.133 ( 0.000 -2.793 3.894) 4.792 34.172 ( 0.000 -4.631 -0.122) 4.632 34.820 ( 0.000 -0.390 0.979) 1.054 34.858 ( 0.000 -2.239 -2.642) 3.463 107.456 ( 0.000 0.381 0.134) 0.404 107.457 ( 0.000 0.320 0.014) 0.320 107.527 ( 0.000 -0.501 0.582) 0.768 107.531 ( 0.000 -0.732 0.232) 0.768 ======================= Grid point 211 (74/80) ======================= q-point: ( 0.17 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 10.839 12.556 2.666) 16.800 2.868 ( 11.934 13.558 -0.622) 18.073 3.291 ( 9.623 6.603 4.342) 12.452 3.329 ( 14.042 8.088 0.899) 16.230 3.500 ( 1.861 10.276 3.456) 11.000 3.617 ( 2.531 -2.610 -7.914) 8.709 3.811 ( 9.526 -0.749 5.995) 11.280 3.923 ( 7.329 -2.902 -5.039) 9.356 4.330 ( 0.077 -0.060 3.915) 3.916 4.377 ( -0.789 -1.224 0.134) 1.463 4.632 ( -4.412 -0.849 9.992) 10.956 4.828 ( -6.137 -4.625 0.480) 7.700 5.012 ( 0.993 -1.361 -2.812) 3.278 5.194 ( 1.096 -5.051 -10.506) 11.709 5.412 ( -0.132 5.886 14.081) 15.262 5.534 ( -3.151 3.939 -4.918) 7.045 5.578 ( 0.043 11.082 -0.294) 11.086 5.859 ( 0.806 5.535 -14.567) 15.604 6.186 ( -1.673 -6.712 3.325) 7.675 6.355 ( -1.102 1.499 -5.459) 5.768 6.436 ( -9.591 20.706 7.633) 24.062 6.611 ( -11.108 11.594 -8.148) 18.006 6.883 ( -4.914 -0.122 12.501) 13.433 7.169 ( -8.773 0.004 -8.372) 12.127 7.383 ( 2.012 30.708 11.254) 32.767 7.506 ( 7.777 10.710 6.730) 14.848 7.675 ( 3.824 10.630 -0.657) 11.316 7.809 ( -0.437 28.247 -13.424) 31.278 7.992 ( 5.477 4.150 5.503) 8.804 8.095 ( -5.827 23.765 -4.553) 24.889 8.272 ( 2.548 31.305 1.051) 31.426 8.391 ( 8.921 18.087 -11.238) 23.087 8.765 ( -3.106 -11.495 3.809) 12.502 8.816 ( -4.007 -17.331 -0.239) 17.789 8.945 ( 3.478 -15.808 6.817) 17.563 9.055 ( 1.426 -11.583 -2.545) 11.945 9.294 ( -3.737 2.626 2.530) 5.222 9.330 ( -1.959 1.438 -1.714) 2.974 9.596 ( -14.296 -5.582 4.329) 15.946 9.661 ( -14.931 -3.841 -2.684) 15.649 9.898 ( -1.625 -8.283 7.711) 11.433 10.083 ( -0.739 -10.292 -9.411) 13.966 10.256 ( -0.338 2.693 3.668) 4.563 10.298 ( 2.251 2.065 -0.931) 3.194 10.447 ( 7.634 -16.215 6.351) 19.015 10.566 ( 6.059 -14.197 -5.362) 16.341 10.818 ( -2.530 -8.185 6.653) 10.847 10.924 ( -1.820 -7.554 -3.465) 8.508 10.986 ( 3.075 -8.010 5.658) 10.277 11.120 ( 3.477 -5.342 -7.073) 9.521 11.408 ( 0.822 -13.469 10.395) 17.033 11.601 ( -3.391 -15.694 -7.550) 17.742 11.987 ( 3.820 -1.463 5.317) 6.708 12.041 ( 5.387 -3.940 1.906) 6.941 12.617 ( -7.456 5.303 -1.666) 9.300 12.717 ( -5.377 4.162 -10.995) 12.928 12.969 ( 0.814 -0.137 1.136) 1.405 13.059 ( 3.685 -0.973 -7.624) 8.524 13.277 ( -5.002 4.416 5.441) 8.609 13.343 ( -2.165 2.102 0.150) 3.021 13.570 ( 2.426 5.589 3.717) 7.137 13.641 ( 1.200 6.042 -2.769) 6.754 13.851 ( 0.161 -3.622 6.542) 7.479 13.974 ( -0.382 -2.895 -5.538) 6.261 14.159 ( 0.926 -15.990 2.202) 16.167 14.176 ( 2.632 -13.292 -0.004) 13.550 14.513 ( -0.029 0.692 2.586) 2.678 14.549 ( 0.567 -1.035 -1.023) 1.562 16.432 ( -0.662 3.599 -0.802) 3.746 16.449 ( -0.211 2.880 -2.556) 3.856 16.590 ( -1.344 -2.829 1.424) 3.440 16.642 ( -1.789 -3.845 -3.620) 5.576 17.601 ( 1.341 4.797 1.740) 5.275 17.630 ( 1.892 3.240 -1.082) 3.905 17.739 ( 2.621 5.613 3.709) 7.220 17.818 ( 0.397 3.482 -4.412) 5.635 18.071 ( 2.394 -0.453 1.093) 2.670 18.085 ( 2.497 0.040 -0.365) 2.524 18.483 ( -3.033 -2.574 2.455) 4.675 18.534 ( -3.398 -5.363 -2.880) 6.971 19.835 ( 4.551 6.605 2.238) 8.327 19.886 ( 4.835 4.637 -2.923) 7.309 20.319 ( -2.836 10.857 4.427) 12.063 20.422 ( -3.535 7.385 -6.384) 10.382 27.131 ( 2.963 -1.212 1.260) 3.440 27.148 ( 2.985 -2.161 -0.306) 3.698 27.484 ( -2.116 -1.299 1.939) 3.150 27.518 ( -2.297 -3.255 -1.311) 4.194 28.456 ( 1.619 0.698 5.592) 5.863 28.546 ( 0.783 -3.307 -2.689) 4.333 28.722 ( -1.827 -1.388 1.185) 2.582 28.744 ( -1.677 -1.176 -1.775) 2.711 29.480 ( 2.580 -4.288 2.145) 5.445 29.546 ( 3.673 -7.844 -4.360) 9.696 29.795 ( -1.888 -5.249 4.266) 7.022 29.895 ( -1.907 -9.873 -5.836) 11.626 31.650 ( 1.735 13.017 6.608) 14.701 31.759 ( 0.925 9.033 -4.413) 10.096 32.417 ( -9.053 7.289 3.587) 12.164 32.482 ( -12.916 5.675 -2.829) 14.388 34.247 ( 8.371 -4.342 1.053) 9.488 34.254 ( 8.960 -4.747 0.353) 10.146 34.803 ( -1.732 -0.763 1.409) 2.359 34.849 ( -1.086 -3.050 -3.015) 4.424 107.459 ( 0.304 0.447 0.141) 0.558 107.461 ( 0.305 0.385 0.021) 0.492 107.524 ( -0.343 -0.547 0.546) 0.845 107.527 ( -0.377 -0.744 0.228) 0.865 ======================= Grid point 212 (75/80) ======================= q-point: ( 0.33 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 13.447 14.300 3.072) 19.868 3.142 ( 12.874 14.000 -1.346) 19.067 3.481 ( 8.119 9.459 8.948) 15.345 3.562 ( 3.918 16.769 5.230) 17.998 3.631 ( 12.311 7.343 -3.325) 14.715 3.695 ( 4.462 -3.767 -8.500) 10.313 4.042 ( 11.189 -3.103 4.566) 12.477 4.115 ( 9.984 -2.682 -2.492) 10.634 4.311 ( -2.565 -0.112 2.439) 3.542 4.338 ( -1.827 0.644 0.442) 1.987 4.547 ( -2.842 -5.421 10.432) 12.095 4.684 ( -7.213 -6.168 3.311) 10.051 5.036 ( 2.722 4.202 -2.728) 5.702 5.234 ( 2.433 -2.850 -16.399) 16.822 5.331 ( -6.724 10.486 3.307) 12.888 5.458 ( -4.552 4.275 -7.781) 9.977 5.609 ( 1.923 10.196 7.575) 12.846 5.805 ( -7.241 12.724 -4.157) 15.219 6.149 ( -0.673 -8.000 8.713) 11.848 6.287 ( -2.497 5.595 0.201) 6.130 6.329 ( -2.119 7.202 -7.179) 10.388 6.379 ( -10.465 3.668 -0.674) 11.110 6.818 ( -1.290 -16.313 -2.383) 16.536 6.980 ( -8.860 -13.854 -13.923) 21.547 7.432 ( 2.978 31.536 10.555) 33.389 7.591 ( -1.215 23.354 -3.891) 23.707 7.714 ( 2.996 23.559 8.561) 25.245 7.869 ( 5.417 17.776 2.506) 18.752 7.951 ( -5.784 32.278 -0.136) 32.792 8.090 ( 0.880 22.685 -3.198) 22.926 8.391 ( 9.246 13.274 7.152) 17.687 8.568 ( 6.504 7.330 -8.109) 12.720 8.715 ( -1.616 -18.477 2.752) 18.751 8.740 ( -2.999 -19.054 -0.063) 19.289 9.011 ( 0.576 -5.178 5.011) 7.229 9.055 ( -1.027 -8.123 2.082) 8.448 9.165 ( -7.081 -2.749 3.516) 8.371 9.261 ( -7.244 6.928 -6.295) 11.836 9.335 ( -4.272 3.092 6.216) 8.151 9.450 ( -7.121 2.292 -5.280) 9.156 9.877 ( -0.546 -7.390 5.007) 8.943 10.005 ( -5.897 -7.956 -6.534) 11.864 10.262 ( 1.538 9.855 2.368) 10.252 10.313 ( -0.161 10.126 -2.404) 10.409 10.597 ( 5.840 -25.006 3.943) 25.980 10.649 ( 2.160 -22.995 -1.423) 23.140 10.776 ( -1.551 -11.716 7.006) 13.739 10.858 ( -4.371 -11.375 -0.309) 12.190 11.078 ( 5.277 -8.172 2.458) 10.033 11.174 ( 1.437 -8.995 -5.623) 10.704 11.446 ( 2.772 -15.155 6.950) 16.901 11.547 ( -2.043 -17.046 -1.521) 17.235 12.081 ( 5.410 0.805 1.040) 5.568 12.158 ( 5.921 -2.697 -3.907) 7.589 12.435 ( -9.505 2.141 -0.569) 9.759 12.541 ( -10.514 -1.756 -9.919) 14.561 13.016 ( 2.840 6.019 1.959) 6.938 13.096 ( -0.934 4.558 -5.291) 7.046 13.241 ( 2.244 1.903 3.822) 4.823 13.312 ( -0.787 0.138 -2.488) 2.613 13.620 ( 1.784 6.305 2.622) 7.057 13.653 ( -0.203 6.280 -0.056) 6.283 13.882 ( 3.364 -2.811 4.415) 6.222 13.979 ( 0.430 -3.004 -4.489) 5.418 14.207 ( 4.568 -11.759 3.198) 13.014 14.244 ( 4.246 -11.526 -0.868) 12.314 14.474 ( -4.266 -0.108 3.045) 5.242 14.508 ( -5.115 -1.351 -0.293) 5.299 16.421 ( -0.291 3.182 -0.790) 3.291 16.439 ( -0.795 3.068 -2.390) 3.969 16.563 ( -0.897 -3.396 -0.267) 3.523 16.598 ( -2.231 -3.960 -3.467) 5.716 17.623 ( 0.869 8.219 1.190) 8.350 17.650 ( -0.049 7.508 -1.539) 7.665 17.813 ( 3.904 5.165 2.239) 6.851 17.849 ( 2.073 3.734 -1.504) 4.528 18.147 ( 4.958 -3.204 0.627) 5.937 18.158 ( 5.124 -3.964 -0.407) 6.492 18.395 ( -5.519 -2.792 2.079) 6.525 18.437 ( -6.139 -5.143 -2.208) 8.308 19.955 ( 6.951 7.232 2.901) 10.442 20.011 ( 7.042 5.291 -2.693) 9.210 20.238 ( -4.978 8.818 3.996) 10.886 20.322 ( -6.215 6.089 -4.650) 9.866 27.214 ( 5.033 -1.316 1.309) 5.364 27.233 ( 5.206 -2.359 -0.480) 5.736 27.420 ( -4.160 -1.410 1.743) 4.726 27.450 ( -4.432 -3.081 -1.073) 5.503 28.500 ( 2.599 1.322 4.538) 5.394 28.563 ( 0.579 -0.597 -1.039) 1.331 28.679 ( -1.989 -2.663 0.568) 3.372 28.702 ( -2.241 -2.149 -1.849) 3.614 29.554 ( 4.446 -4.173 3.176) 6.875 29.636 ( 4.797 -7.777 -4.921) 10.379 29.741 ( -3.165 -5.594 3.703) 7.418 29.838 ( -3.656 -9.689 -5.904) 11.921 31.722 ( 5.934 12.324 5.809) 14.861 31.812 ( 4.823 8.707 -3.219) 10.461 32.174 ( -14.826 9.787 2.641) 17.960 32.198 ( -13.020 8.425 0.287) 15.510 34.423 ( 9.155 -3.295 1.878) 9.909 34.472 ( 10.332 -5.461 -3.166) 12.108 34.747 ( -3.722 -2.457 2.099) 4.929 34.804 ( -3.515 -5.108 -3.580) 7.160 107.467 ( 0.406 0.648 0.158) 0.781 107.468 ( 0.385 0.608 0.046) 0.721 107.515 ( -0.411 -0.735 0.449) 0.954 107.518 ( -0.487 -0.842 0.229) 0.999 ======================= Grid point 213 (76/80) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( -1.991 15.451 0.716) 15.595 3.270 ( 1.991 15.451 0.716) 15.595 3.599 ( -2.386 16.019 8.389) 18.239 3.599 ( 2.386 16.019 8.389) 18.239 3.748 ( -0.199 1.235 -5.718) 5.853 3.748 ( 0.199 1.235 -5.718) 5.853 4.164 ( -2.606 -1.473 1.257) 3.246 4.164 ( 2.606 -1.473 1.257) 3.246 4.330 ( -1.659 -1.947 1.326) 2.881 4.330 ( 1.659 -1.947 1.326) 2.881 4.564 ( -4.288 -8.561 5.477) 11.031 4.564 ( 4.288 -8.561 5.477) 11.031 5.145 ( -7.591 7.100 -3.295) 10.904 5.145 ( 7.591 7.100 -3.295) 10.904 5.348 ( -5.578 7.938 -10.463) 14.269 5.348 ( 5.578 7.938 -10.463) 14.269 5.658 ( -4.723 7.787 5.066) 10.422 5.658 ( 4.724 7.787 5.066) 10.422 6.200 ( -5.746 -3.070 5.438) 8.487 6.200 ( 5.746 -3.070 5.438) 8.487 6.299 ( -1.837 4.937 -5.378) 7.528 6.299 ( 1.837 4.937 -5.378) 7.528 6.844 ( -4.153 -20.249 -10.740) 23.294 6.844 ( 4.153 -20.249 -10.740) 23.294 7.511 ( -4.732 24.418 -0.402) 24.876 7.511 ( 4.732 24.418 -0.402) 24.876 7.810 ( -5.686 33.129 13.027) 36.050 7.810 ( 5.686 33.129 13.027) 36.050 8.027 ( -6.435 25.242 -4.567) 26.446 8.027 ( 6.435 25.242 -4.567) 26.446 8.572 ( -6.267 4.410 4.881) 9.086 8.572 ( 6.267 4.410 4.881) 9.086 8.704 ( -0.755 -21.732 1.159) 21.776 8.704 ( 0.755 -21.732 1.159) 21.776 8.987 ( -2.221 -2.001 1.787) 3.483 8.987 ( 2.221 -2.001 1.787) 3.483 9.165 ( -3.643 4.798 -1.253) 6.153 9.165 ( 3.643 4.798 -1.253) 6.153 9.342 ( -3.422 1.861 -0.847) 3.986 9.342 ( 3.422 1.861 -0.847) 3.986 9.901 ( -3.479 -5.442 -1.815) 6.710 9.901 ( 3.479 -5.442 -1.815) 6.710 10.296 ( -1.462 12.314 -0.117) 12.401 10.296 ( 1.462 12.314 -0.117) 12.401 10.668 ( -0.822 -27.724 2.178) 27.821 10.668 ( 0.822 -27.724 2.178) 27.821 10.776 ( -2.595 -12.904 2.666) 13.429 10.776 ( 2.595 -12.904 2.666) 13.429 11.163 ( -2.604 -9.342 -1.273) 9.782 11.163 ( 2.604 -9.342 -1.273) 9.782 11.503 ( -2.570 -16.438 3.601) 17.023 11.503 ( 2.570 -16.438 3.601) 17.023 12.201 ( -5.265 3.148 -4.967) 7.893 12.201 ( 5.265 3.148 -4.967) 7.893 12.355 ( -5.941 -4.681 -3.973) 8.544 12.355 ( 5.941 -4.681 -3.973) 8.544 13.063 ( -1.907 7.530 0.358) 7.776 13.063 ( 1.907 7.530 0.358) 7.776 13.293 ( -1.748 -0.679 -1.632) 2.486 13.293 ( 1.748 -0.679 -1.632) 2.486 13.641 ( -0.703 6.650 1.999) 6.979 13.641 ( 0.703 6.650 1.999) 6.979 13.958 ( -2.920 -4.268 0.076) 5.172 13.958 ( 2.920 -4.268 0.076) 5.172 14.334 ( -2.258 -7.216 1.155) 7.649 14.334 ( 2.258 -7.216 1.155) 7.649 14.375 ( -2.031 -2.224 1.125) 3.215 14.375 ( 2.031 -2.224 1.125) 3.215 16.423 ( -0.548 3.074 -1.422) 3.431 16.423 ( 0.548 3.074 -1.422) 3.431 16.564 ( -0.993 -3.776 -2.403) 4.585 16.564 ( 0.993 -3.776 -2.403) 4.585 17.639 ( -0.769 8.980 -0.301) 9.018 17.639 ( 0.769 8.980 -0.301) 9.018 17.865 ( -0.889 4.892 0.540) 5.001 17.865 ( 0.889 4.892 0.540) 5.001 18.254 ( -3.149 -6.297 0.736) 7.079 18.254 ( 3.149 -6.297 0.736) 7.079 18.307 ( -4.052 -2.731 -0.647) 4.929 18.307 ( 4.052 -2.731 -0.647) 4.929 20.087 ( -4.513 9.105 2.118) 10.380 20.087 ( 4.513 9.105 2.118) 10.380 20.191 ( -5.239 4.146 -1.818) 6.923 20.191 ( 5.239 4.146 -1.818) 6.923 27.322 ( -5.307 -1.488 1.466) 5.704 27.322 ( 5.307 -1.488 1.466) 5.704 27.346 ( -5.584 -2.651 -0.742) 6.226 27.346 ( 5.584 -2.651 -0.742) 6.226 28.550 ( -2.001 1.960 2.568) 3.800 28.550 ( 2.001 1.960 2.568) 3.800 28.666 ( -0.947 -3.771 -1.469) 4.157 28.666 ( 0.947 -3.771 -1.469) 4.157 29.646 ( -4.215 -3.931 3.338) 6.661 29.646 ( 4.215 -3.931 3.338) 6.661 29.753 ( -4.539 -9.644 -5.360) 11.931 29.753 ( 4.539 -9.644 -5.360) 11.931 31.898 ( -11.458 11.568 4.654) 16.934 31.898 ( 11.458 11.568 4.654) 16.934 31.963 ( -9.880 8.747 -1.519) 13.283 31.963 ( 9.880 8.747 -1.519) 13.283 34.575 ( -3.754 -1.151 0.167) 3.930 34.575 ( 3.754 -1.151 0.167) 3.930 34.714 ( -3.813 -7.530 -1.936) 8.659 34.714 ( 3.813 -7.530 -1.936) 8.659 107.473 ( -0.042 0.840 0.121) 0.850 107.473 ( 0.042 0.840 0.121) 0.850 107.511 ( -0.070 -0.968 0.307) 1.018 107.511 ( 0.070 -0.968 0.307) 1.018 ======================= Grid point 217 (77/80) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 0.000 -3.202 -2.120) 3.841 2.886 ( 0.000 3.202 -2.120) 3.841 3.211 ( 0.000 -5.031 -0.261) 5.038 3.211 ( 0.000 5.031 -0.261) 5.038 3.648 ( 0.000 -7.011 4.135) 8.139 3.648 ( 0.000 7.011 4.135) 8.139 3.701 ( 0.000 -10.759 -0.632) 10.777 3.701 ( 0.000 10.759 -0.632) 10.777 4.341 ( 0.000 -1.491 2.259) 2.707 4.341 ( 0.000 1.491 2.259) 2.707 4.767 ( 0.000 -6.608 9.580) 11.638 4.767 ( 0.000 6.608 9.580) 11.638 5.035 ( 0.000 -6.449 -12.070) 13.685 5.035 ( 0.000 6.449 -12.070) 13.685 5.555 ( 0.000 -5.363 5.701) 7.827 5.555 ( 0.000 5.363 5.701) 7.827 5.730 ( 0.000 -7.874 4.772) 9.207 5.730 ( 0.000 7.874 4.772) 9.207 6.245 ( 0.000 -7.444 -16.822) 18.396 6.245 ( 0.000 7.444 -16.822) 18.396 6.890 ( 0.000 -4.445 3.964) 5.955 6.890 ( 0.000 4.445 3.964) 5.955 7.175 ( 0.000 -5.261 1.257) 5.409 7.175 ( 0.000 5.261 1.257) 5.409 7.460 ( 0.000 -6.597 -0.613) 6.626 7.460 ( 0.000 6.597 -0.613) 6.626 8.032 ( 0.000 -19.633 15.158) 24.804 8.032 ( 0.000 19.633 15.158) 24.804 8.324 ( 0.000 -8.408 -4.612) 9.590 8.324 ( 0.000 8.408 -4.612) 9.590 8.588 ( 0.000 -15.098 -6.567) 16.464 8.588 ( 0.000 15.098 -6.567) 16.464 8.627 ( 0.000 -0.133 -2.993) 2.996 8.627 ( 0.000 0.132 -2.993) 2.996 9.086 ( 0.000 -32.747 0.009) 32.747 9.086 ( 0.000 32.747 0.009) 32.747 9.099 ( 0.000 -34.240 -1.561) 34.275 9.099 ( 0.000 34.240 -1.561) 34.275 9.565 ( 0.000 -0.475 4.254) 4.280 9.565 ( 0.000 0.475 4.254) 4.280 9.922 ( 0.000 -1.902 -2.482) 3.127 9.922 ( 0.000 1.902 -2.482) 3.127 10.102 ( 0.000 -2.187 -0.562) 2.259 10.102 ( 0.000 2.187 -0.562) 2.259 10.377 ( 0.000 -1.158 0.723) 1.365 10.377 ( 0.000 1.158 0.723) 1.365 10.835 ( 0.000 -3.308 1.388) 3.587 10.835 ( 0.000 3.308 1.388) 3.587 11.080 ( 0.000 -10.791 5.707) 12.207 11.080 ( 0.000 10.791 5.707) 12.207 11.329 ( 0.000 -13.922 -4.097) 14.512 11.329 ( 0.000 13.922 -4.097) 14.512 11.924 ( 0.000 -0.903 6.580) 6.642 11.924 ( 0.000 0.903 6.580) 6.642 12.826 ( 0.000 -2.845 -8.608) 9.066 12.826 ( 0.000 2.845 -8.608) 9.066 12.945 ( 0.000 -1.290 -2.650) 2.947 12.945 ( 0.000 1.290 -2.650) 2.947 13.390 ( 0.000 -0.593 3.498) 3.548 13.390 ( 0.000 0.593 3.498) 3.548 13.663 ( 0.000 -5.564 3.600) 6.627 13.663 ( 0.000 5.564 3.600) 6.627 13.830 ( 0.000 -7.538 -0.440) 7.551 13.830 ( 0.000 7.538 -0.440) 7.551 14.010 ( 0.000 -0.602 -0.748) 0.960 14.010 ( 0.000 0.602 -0.748) 0.960 14.516 ( 0.000 -0.581 0.184) 0.610 14.516 ( 0.000 0.581 0.184) 0.610 16.495 ( 0.000 -0.894 -1.778) 1.990 16.495 ( 0.000 0.894 -1.778) 1.990 16.588 ( 0.000 -2.468 -0.865) 2.615 16.588 ( 0.000 2.468 -0.865) 2.615 17.610 ( 0.000 -0.509 0.611) 0.795 17.610 ( 0.000 0.509 0.611) 0.795 17.822 ( 0.000 -3.087 -0.464) 3.121 17.822 ( 0.000 3.087 -0.464) 3.121 18.064 ( 0.000 -0.469 0.256) 0.534 18.064 ( 0.000 0.469 0.256) 0.534 18.500 ( 0.000 -1.256 -0.105) 1.260 18.500 ( 0.000 1.256 -0.105) 1.260 19.867 ( 0.000 -1.304 -0.539) 1.411 19.867 ( 0.000 1.304 -0.539) 1.411 20.507 ( 0.000 -3.171 -0.835) 3.280 20.507 ( 0.000 3.171 -0.835) 3.280 27.092 ( 0.000 -0.394 0.594) 0.713 27.092 ( 0.000 0.394 0.594) 0.713 27.497 ( 0.000 -0.794 -0.050) 0.796 27.497 ( 0.000 0.794 -0.050) 0.796 28.467 ( 0.000 -2.481 1.240) 2.774 28.467 ( 0.000 2.481 1.240) 2.774 28.742 ( 0.000 -0.845 -0.426) 0.947 28.742 ( 0.000 0.845 -0.426) 0.947 29.420 ( 0.000 -1.033 -1.234) 1.609 29.420 ( 0.000 1.033 -1.234) 1.609 29.788 ( 0.000 -2.516 -1.080) 2.737 29.788 ( 0.000 2.516 -1.080) 2.737 31.815 ( 0.000 -3.427 2.023) 3.980 31.815 ( 0.000 3.427 2.023) 3.980 32.614 ( 0.000 -3.375 -1.166) 3.571 32.614 ( 0.000 3.375 -1.166) 3.571 34.113 ( 0.000 -0.965 1.612) 1.879 34.113 ( 0.000 0.965 1.612) 1.879 34.825 ( 0.000 -0.943 -0.638) 1.139 34.825 ( 0.000 0.943 -0.638) 1.139 107.461 ( 0.000 -0.031 0.106) 0.111 107.461 ( 0.000 0.031 0.106) 0.111 107.522 ( 0.000 -0.078 0.383) 0.391 107.522 ( 0.000 0.078 0.383) 0.391 ======================= Grid point 219 (78/80) ======================= q-point: ( 0.17 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( 11.711 -3.403 -1.741) 12.319 3.012 ( 11.711 3.403 -1.741) 12.319 3.323 ( 9.801 -5.972 -0.062) 11.477 3.323 ( 9.801 5.972 -0.062) 11.477 3.722 ( 7.166 -8.170 3.761) 11.499 3.722 ( 7.166 8.170 3.761) 11.499 3.774 ( 7.170 -11.586 -0.734) 13.645 3.774 ( 7.170 11.586 -0.734) 13.645 4.344 ( -0.101 -1.445 3.828) 4.093 4.344 ( -0.101 1.445 3.828) 4.093 4.693 ( -6.675 -6.550 7.948) 12.273 4.693 ( -6.675 6.550 7.948) 12.273 5.050 ( 1.728 -5.932 -12.369) 13.826 5.050 ( 1.728 5.932 -12.369) 13.826 5.532 ( -2.917 -4.068 0.995) 5.104 5.532 ( -2.917 4.068 0.995) 5.104 5.781 ( 4.734 -10.159 11.509) 16.065 5.781 ( 4.734 10.159 11.509) 16.065 6.241 ( -0.232 -8.986 -18.111) 20.219 6.241 ( -0.232 8.986 -18.111) 20.219 6.736 ( -15.211 -11.051 8.788) 20.754 6.736 ( -15.211 11.051 8.788) 20.754 6.936 ( -13.900 -16.742 -8.816) 23.478 6.936 ( -13.900 16.742 -8.816) 23.478 7.695 ( 14.846 -10.502 2.945) 18.422 7.695 ( 14.846 10.502 2.945) 18.422 8.050 ( 0.873 -14.647 10.563) 18.080 8.050 ( 0.873 14.647 10.563) 18.080 8.300 ( -1.020 -5.319 0.948) 5.499 8.300 ( -1.020 5.319 0.948) 5.499 8.452 ( -7.420 -5.477 -2.991) 9.695 8.452 ( -7.420 5.477 -2.991) 9.695 8.770 ( 7.326 -6.282 -4.321) 10.574 8.770 ( 7.326 6.282 -4.321) 10.574 9.017 ( -5.758 -25.830 1.615) 26.513 9.017 ( -5.758 25.830 1.615) 26.513 9.103 ( -0.021 -25.957 -3.432) 26.183 9.103 ( -0.021 25.957 -3.432) 26.183 9.619 ( 3.974 -9.077 4.205) 10.764 9.619 ( 3.974 9.077 4.205) 10.764 9.752 ( -9.181 -10.090 -4.216) 14.278 9.752 ( -9.181 10.090 -4.216) 14.278 10.228 ( 5.711 -1.839 0.668) 6.037 10.228 ( 5.711 1.839 0.668) 6.037 10.393 ( 1.369 -1.108 1.199) 2.131 10.393 ( 1.369 1.108 1.199) 2.131 10.791 ( -4.117 -4.414 1.553) 6.233 10.791 ( -4.117 4.414 1.553) 6.233 11.098 ( 1.736 -11.224 5.741) 12.726 11.098 ( 1.736 11.224 5.741) 12.726 11.279 ( -3.675 -12.693 -4.245) 13.879 11.279 ( -3.675 12.693 -4.245) 13.879 11.984 ( 5.166 -1.368 3.835) 6.577 11.984 ( 5.166 1.368 3.835) 6.577 12.716 ( -9.518 -3.651 -6.485) 12.082 12.716 ( -9.518 3.651 -6.485) 12.082 13.015 ( 5.621 -3.395 -3.978) 7.678 13.015 ( 5.621 3.395 -3.978) 7.678 13.342 ( -3.792 -1.866 3.466) 5.466 13.342 ( -3.792 1.866 3.466) 5.466 13.691 ( 2.473 -5.472 2.631) 6.556 13.691 ( 2.473 5.472 2.631) 6.556 13.829 ( -0.142 -7.812 0.230) 7.817 13.829 ( -0.142 7.812 0.230) 7.817 14.033 ( 2.587 -1.601 -0.783) 3.142 14.033 ( 2.587 1.601 -0.783) 3.142 14.530 ( 0.293 -0.922 0.841) 1.282 14.530 ( 0.293 0.922 0.841) 1.282 16.490 ( -0.428 -1.314 -1.833) 2.295 16.490 ( -0.428 1.314 -1.833) 2.295 16.568 ( -1.856 -2.466 -1.171) 3.301 16.568 ( -1.856 2.466 -1.171) 3.301 17.659 ( 4.460 -0.614 0.529) 4.533 17.659 ( 4.460 0.614 0.529) 4.533 17.829 ( 0.515 -2.526 -0.527) 2.631 17.829 ( 0.515 2.526 -0.527) 2.631 18.071 ( 0.925 -0.946 0.292) 1.355 18.071 ( 0.925 0.946 0.292) 1.355 18.468 ( -3.221 -1.169 0.004) 3.427 18.468 ( -3.221 1.169 0.004) 3.427 19.917 ( 4.795 -1.396 -0.265) 5.001 19.917 ( 4.795 1.396 -0.265) 5.001 20.468 ( -3.800 -2.949 -0.636) 4.852 20.468 ( -3.800 2.949 -0.636) 4.852 27.122 ( 2.924 -0.396 0.510) 2.994 27.122 ( 2.924 0.396 0.510) 2.994 27.475 ( -2.196 -0.754 -0.037) 2.322 27.475 ( -2.196 0.754 -0.037) 2.322 28.485 ( 1.744 -2.331 1.149) 3.129 28.485 ( 1.744 2.331 1.149) 3.129 28.722 ( -1.987 -0.910 -0.300) 2.206 28.722 ( -1.987 0.910 -0.300) 2.206 29.451 ( 2.992 -1.512 -1.256) 3.580 29.451 ( 2.992 1.512 -1.256) 3.580 29.770 ( -1.832 -2.519 -1.120) 3.310 29.770 ( -1.832 2.519 -1.120) 3.310 31.821 ( 0.981 -3.103 1.897) 3.767 31.821 ( 0.981 3.103 1.897) 3.767 32.514 ( -9.300 -2.041 -0.099) 9.522 32.514 ( -9.300 2.041 -0.099) 9.522 34.202 ( 8.155 -0.174 0.711) 8.188 34.202 ( 8.155 0.174 0.711) 8.188 34.806 ( -2.037 -1.120 -0.665) 2.418 34.806 ( -2.037 1.120 -0.665) 2.418 107.465 ( 0.396 -0.031 0.119) 0.415 107.465 ( 0.396 0.031 0.119) 0.415 107.518 ( -0.421 -0.074 0.359) 0.558 107.518 ( -0.421 0.074 0.359) 0.558 ======================= Grid point 221 (79/80) ======================= q-point: ( 0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 15.247 -3.735 -0.828) 15.720 3.301 ( 15.247 3.735 -0.828) 15.720 3.518 ( 7.239 -6.162 -0.146) 9.508 3.518 ( 7.239 6.162 -0.146) 9.508 3.904 ( 9.609 -9.210 3.468) 13.754 3.904 ( 9.609 9.210 3.468) 13.754 3.967 ( 10.298 -11.915 0.710) 15.765 3.967 ( 10.298 11.915 0.710) 15.765 4.319 ( -1.961 -1.651 4.817) 5.457 4.319 ( -1.961 1.651 4.817) 5.457 4.529 ( -9.067 -5.820 4.569) 11.703 4.529 ( -9.067 5.820 4.569) 11.703 5.119 ( 5.495 -5.594 -10.986) 13.497 5.119 ( 5.495 5.594 -10.986) 13.497 5.431 ( -6.993 -2.654 -4.413) 8.685 5.431 ( -6.993 2.654 -4.413) 8.685 5.883 ( 4.840 -13.391 16.944) 22.132 5.883 ( 4.840 13.391 16.944) 22.132 6.232 ( -4.140 -14.254 -8.838) 17.275 6.232 ( -4.140 14.254 -8.838) 17.275 6.408 ( -10.133 -7.422 -0.730) 12.581 6.408 ( -10.133 7.422 -0.730) 12.581 6.683 ( -11.788 -12.327 -12.948) 21.414 6.683 ( -11.788 12.327 -12.948) 21.414 7.977 ( 12.268 -8.245 5.653) 15.825 7.977 ( 12.268 8.245 5.653) 15.825 8.063 ( 2.389 -12.842 1.923) 13.203 8.063 ( 2.389 12.842 1.923) 13.203 8.257 ( -6.190 -15.053 3.507) 16.650 8.257 ( -6.190 15.053 3.507) 16.650 8.349 ( -1.520 -4.623 3.231) 5.841 8.349 ( -1.520 4.623 3.231) 5.841 8.831 ( -2.492 -14.000 3.281) 14.594 8.831 ( -2.492 14.000 3.281) 14.594 8.890 ( -5.083 -8.703 -1.489) 10.188 8.890 ( -5.083 8.703 -1.489) 10.188 9.156 ( 6.445 -11.675 -4.330) 14.021 9.156 ( 6.445 11.675 -4.330) 14.021 9.516 ( -9.450 -3.919 -0.930) 10.272 9.516 ( -9.450 3.919 -0.930) 10.272 9.812 ( 9.872 -6.905 -0.116) 12.047 9.812 ( 9.872 6.905 -0.116) 12.047 10.227 ( -6.252 -4.220 0.621) 7.568 10.227 ( -6.252 4.220 0.621) 7.568 10.450 ( 4.760 -1.633 2.093) 5.450 10.450 ( 4.760 1.633 2.093) 5.450 10.685 ( -5.973 -5.072 1.584) 7.994 10.685 ( -5.973 5.072 1.584) 7.994 11.144 ( 2.710 -11.252 4.016) 12.251 11.144 ( 2.710 11.252 4.016) 12.251 11.225 ( -1.579 -11.234 -2.788) 11.682 11.225 ( -1.579 11.234 -2.788) 11.682 12.106 ( 6.846 -1.966 -0.844) 7.172 12.106 ( 6.846 1.966 -0.844) 7.172 12.489 ( -11.992 -2.896 -5.851) 13.653 12.489 ( -11.992 2.896 -5.851) 13.653 13.133 ( 5.327 -3.242 -2.165) 6.601 13.133 ( 5.327 3.242 -2.165) 6.601 13.272 ( -2.951 -2.789 1.845) 4.460 13.272 ( -2.951 2.789 1.845) 4.460 13.747 ( 2.765 -5.697 1.905) 6.613 13.747 ( 2.765 5.697 1.905) 6.613 13.821 ( -0.780 -7.739 0.955) 7.837 13.821 ( -0.780 7.739 0.955) 7.837 14.133 ( 7.592 -1.233 -0.104) 7.692 14.133 ( 7.592 1.233 -0.104) 7.692 14.484 ( -5.375 -0.952 1.501) 5.661 14.484 ( -5.375 0.952 1.501) 5.661 16.483 ( -0.115 -1.949 -1.982) 2.782 16.483 ( -0.115 1.949 -1.982) 2.782 16.524 ( -2.149 -2.494 -1.817) 3.760 16.524 ( -2.149 2.494 -1.817) 3.760 17.758 ( 4.507 -1.212 0.273) 4.675 17.758 ( 4.507 1.212 0.273) 4.675 17.836 ( 0.015 -0.589 -0.592) 0.835 17.836 ( 0.015 0.589 -0.592) 0.835 18.119 ( 4.259 -0.354 0.451) 4.297 18.119 ( 4.259 0.354 0.451) 4.297 18.374 ( -5.994 -0.968 0.244) 6.077 18.374 ( -5.994 0.968 0.244) 6.077 20.046 ( 7.649 -1.555 0.177) 7.808 20.046 ( 7.649 1.555 0.177) 7.808 20.360 ( -6.698 -2.405 -0.167) 7.119 20.360 ( -6.698 2.405 -0.167) 7.119 27.203 ( 4.998 -0.442 0.320) 5.027 27.203 ( 4.998 0.442 0.320) 5.027 27.410 ( -4.208 -0.660 0.017) 4.260 27.410 ( -4.208 0.660 0.017) 4.260 28.533 ( 2.948 -1.929 0.876) 3.630 28.533 ( 2.948 1.929 0.876) 3.630 28.668 ( -3.223 -1.089 0.031) 3.402 28.668 ( -3.223 1.089 0.031) 3.402 29.532 ( 4.747 -2.100 -1.281) 5.346 29.532 ( 4.747 2.100 -1.281) 5.346 29.715 ( -3.552 -2.500 -1.204) 4.507 29.715 ( -3.552 2.500 -1.204) 4.507 31.877 ( 5.123 -2.433 1.775) 5.943 31.877 ( 5.123 2.433 1.775) 5.943 32.279 ( -12.925 -0.605 1.279) 13.002 32.279 ( -12.925 0.605 1.279) 13.002 34.400 ( 10.620 -1.264 -0.438) 10.703 34.400 ( 10.620 1.264 -0.438) 10.703 34.736 ( -5.073 -1.447 -0.760) 5.330 34.736 ( -5.073 1.447 -0.760) 5.330 107.476 ( 0.677 -0.039 0.158) 0.696 107.476 ( 0.677 0.039 0.158) 0.696 107.506 ( -0.701 -0.064 0.297) 0.764 107.506 ( -0.701 0.064 0.297) 0.764 ======================= Grid point 223 (80/80) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( -3.989 -10.286 -0.430) 11.040 3.538 ( 1.084 -10.105 -0.430) 10.172 3.538 ( -1.084 10.105 -0.430) 10.172 3.538 ( 3.989 10.286 -0.430) 11.040 4.052 ( -2.862 -13.168 4.552) 14.224 4.052 ( 2.508 -13.150 4.552) 14.140 4.052 ( -2.508 13.150 4.552) 14.140 4.052 ( 2.862 13.168 4.552) 14.224 4.356 ( -5.713 -6.654 1.885) 8.970 4.356 ( 1.204 -6.039 1.885) 6.440 4.356 ( -1.204 6.039 1.885) 6.440 4.356 ( 5.713 6.654 1.885) 8.970 5.267 ( -7.367 -6.563 -7.943) 12.667 5.267 ( 0.318 -5.434 -7.943) 9.630 5.267 ( -0.318 5.434 -7.943) 9.630 5.267 ( 7.367 6.563 -7.943) 12.667 6.016 ( -9.945 -15.882 12.426) 22.484 6.016 ( 9.872 -15.870 12.426) 22.444 6.016 ( -9.872 15.870 12.426) 22.444 6.016 ( 9.945 15.882 12.426) 22.484 6.467 ( -7.158 -13.434 -15.255) 21.550 6.467 ( 3.427 -13.061 -15.255) 20.373 6.467 ( -3.427 13.061 -15.255) 20.373 6.467 ( 7.158 13.434 -15.255) 21.550 8.112 ( -1.782 -28.605 2.724) 28.789 8.112 ( 0.750 -28.593 2.724) 28.732 8.112 ( -0.750 28.593 2.724) 28.732 8.112 ( 1.782 28.605 2.724) 28.789 8.249 ( -9.010 -6.847 4.244) 12.085 8.249 ( 4.745 -5.676 4.244) 8.528 8.249 ( -4.745 5.676 4.244) 8.528 8.249 ( 9.010 6.847 4.244) 12.085 8.810 ( -2.470 -14.722 2.194) 15.088 8.810 ( 2.467 -14.722 2.194) 15.087 8.810 ( -2.467 14.722 2.194) 15.087 8.810 ( 2.470 14.722 2.194) 15.088 9.326 ( -8.484 -6.264 -2.618) 10.866 9.326 ( 0.428 -4.614 -2.618) 5.323 9.326 ( -0.428 4.614 -2.618) 5.323 9.326 ( 8.484 6.264 -2.618) 10.866 10.034 ( -5.177 -21.281 0.477) 21.907 10.034 ( -0.319 -21.124 0.477) 21.132 10.034 ( 0.319 21.124 0.477) 21.132 10.034 ( 5.177 21.281 0.477) 21.907 10.563 ( -3.754 -9.298 1.468) 10.134 10.563 ( 0.599 -9.112 1.468) 9.249 10.563 ( -0.599 9.112 1.468) 9.249 10.563 ( 3.754 9.298 1.468) 10.134 11.194 ( -1.919 -11.021 0.846) 11.219 11.194 ( 1.899 -11.020 0.846) 11.214 11.194 ( -1.899 11.020 0.846) 11.214 11.194 ( 1.919 11.021 0.846) 11.219 12.268 ( -8.823 -3.269 -4.354) 10.368 12.268 ( -6.105 -0.736 -4.354) 7.535 12.268 ( 6.105 0.736 -4.354) 7.535 12.268 ( 8.823 3.269 -4.354) 10.368 13.216 ( -1.838 -6.360 -0.091) 6.621 13.216 ( 0.694 -6.302 -0.091) 6.341 13.216 ( -0.694 6.302 -0.091) 6.341 13.216 ( 1.838 6.360 -0.091) 6.621 13.794 ( -1.536 -8.749 1.394) 8.992 13.794 ( 1.387 -8.743 1.394) 8.961 13.794 ( -1.387 8.743 1.394) 8.961 13.794 ( 1.536 8.749 1.394) 8.992 14.321 ( -8.965 -1.501 1.075) 9.154 14.321 ( -8.681 -0.999 1.075) 8.804 14.321 ( 8.681 0.999 1.075) 8.804 14.321 ( 8.965 1.501 1.075) 9.154 16.491 ( -0.769 -3.464 -2.112) 4.129 16.491 ( 0.603 -3.456 -2.112) 4.095 16.491 ( -0.603 3.456 -2.112) 4.095 16.491 ( 0.769 3.464 -2.112) 4.129 17.821 ( -0.506 -7.738 -0.226) 7.757 17.821 ( 0.131 -7.734 -0.226) 7.738 17.821 ( -0.131 7.734 -0.226) 7.738 17.821 ( 0.506 7.738 -0.226) 7.757 18.238 ( -5.389 -2.632 0.451) 6.015 18.238 ( -4.551 -2.202 0.451) 5.076 18.238 ( 4.551 2.202 0.451) 5.076 18.238 ( 5.389 2.632 0.451) 6.015 20.209 ( -7.772 -2.301 0.224) 8.109 20.209 ( -6.291 0.297 0.224) 6.302 20.209 ( 6.291 -0.297 0.224) 6.302 20.209 ( 7.772 2.301 0.224) 8.109 27.311 ( -5.376 -0.582 0.136) 5.409 27.311 ( -5.336 0.480 0.136) 5.359 27.311 ( 5.336 -0.480 0.136) 5.359 27.311 ( 5.376 0.582 0.136) 5.409 28.599 ( -2.747 -2.661 0.466) 3.853 28.599 ( -0.412 -2.289 0.466) 2.372 28.599 ( 0.412 2.289 0.466) 2.372 28.599 ( 2.747 2.661 0.466) 3.853 29.630 ( -4.703 -2.501 -1.267) 5.475 29.630 ( 0.057 -0.853 -1.267) 1.528 29.630 ( -0.057 0.853 -1.267) 1.528 29.630 ( 4.703 2.501 -1.267) 5.475 32.035 ( -10.474 -1.662 1.738) 10.747 32.035 ( -10.395 1.532 1.738) 10.650 32.035 ( 10.395 -1.532 1.738) 10.650 32.035 ( 10.474 1.662 1.738) 10.747 34.598 ( -7.567 -2.942 -0.810) 8.159 34.598 ( -5.517 -1.396 -0.810) 5.748 34.598 ( 5.517 1.396 -0.810) 5.748 34.598 ( 7.567 2.942 -0.810) 8.159 107.491 ( -0.328 -0.899 0.222) 0.983 107.491 ( -0.261 -0.894 0.222) 0.957 107.491 ( 0.261 0.894 0.222) 0.957 107.491 ( 0.328 0.899 0.222) 0.983 =================== 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 3/36288 10.0 1171.442 1712.576 814.545 0.000 0.000 -0.000 3/36288 20.0 377.159 441.540 300.168 0.000 0.000 -0.000 3/36288 30.0 144.360 166.042 95.472 0.000 0.000 -0.000 3/36288 40.0 73.838 89.317 44.998 0.000 0.000 -0.000 3/36288 50.0 44.979 56.857 26.853 0.000 0.000 -0.000 3/36288 60.0 30.541 40.175 18.375 0.000 0.000 -0.000 3/36288 70.0 22.340 30.501 13.698 0.000 0.000 -0.000 3/36288 80.0 17.252 24.376 10.811 0.000 0.000 -0.000 3/36288 90.0 13.879 20.229 8.881 0.000 0.000 -0.000 3/36288 100.0 11.523 17.268 7.512 0.000 0.000 -0.000 3/36288 110.0 9.807 15.063 6.497 0.000 0.000 -0.000 3/36288 120.0 8.515 13.363 5.718 0.000 0.000 -0.000 3/36288 130.0 7.512 12.016 5.104 0.000 0.000 -0.000 3/36288 140.0 6.715 10.924 4.608 0.000 0.000 -0.000 3/36288 150.0 6.070 10.020 4.200 0.000 0.000 -0.000 3/36288 160.0 5.537 9.261 3.859 0.000 0.000 -0.000 3/36288 170.0 5.092 8.613 3.570 0.000 0.000 -0.000 3/36288 180.0 4.713 8.055 3.323 0.000 0.000 -0.000 3/36288 190.0 4.389 7.569 3.108 0.000 0.000 -0.000 3/36288 200.0 4.108 7.141 2.921 0.000 0.000 -0.000 3/36288 210.0 3.863 6.763 2.755 0.000 0.000 -0.000 3/36288 220.0 3.646 6.425 2.609 0.000 0.000 -0.000 3/36288 230.0 3.454 6.122 2.478 0.000 0.000 -0.000 3/36288 240.0 3.283 5.848 2.360 0.000 0.000 -0.000 3/36288 250.0 3.129 5.600 2.254 0.000 0.000 -0.000 3/36288 260.0 2.991 5.373 2.157 0.000 0.000 -0.000 3/36288 270.0 2.865 5.166 2.069 0.000 0.000 -0.000 3/36288 280.0 2.750 4.976 1.988 0.000 0.000 -0.000 3/36288 290.0 2.645 4.800 1.914 0.000 0.000 -0.000 3/36288 300.0 2.549 4.638 1.846 0.000 0.000 -0.000 3/36288 310.0 2.460 4.487 1.783 0.000 0.000 -0.000 3/36288 320.0 2.378 4.347 1.724 0.000 0.000 -0.000 3/36288 330.0 2.302 4.215 1.669 0.000 0.000 -0.000 3/36288 340.0 2.231 4.093 1.618 0.000 0.000 -0.000 3/36288 350.0 2.165 3.978 1.570 0.000 0.000 -0.000 3/36288 360.0 2.103 3.869 1.526 0.000 0.000 -0.000 3/36288 370.0 2.045 3.767 1.483 0.000 0.000 -0.000 3/36288 380.0 1.991 3.671 1.444 0.000 0.000 -0.000 3/36288 390.0 1.939 3.580 1.406 0.000 0.000 -0.000 3/36288 400.0 1.891 3.493 1.371 0.000 0.000 -0.000 3/36288 410.0 1.845 3.411 1.337 0.000 0.000 -0.000 3/36288 420.0 1.801 3.333 1.305 0.000 0.000 -0.000 3/36288 430.0 1.760 3.259 1.275 0.000 0.000 -0.000 3/36288 440.0 1.721 3.188 1.246 0.000 0.000 -0.000 3/36288 450.0 1.684 3.120 1.219 0.000 0.000 -0.000 3/36288 460.0 1.648 3.056 1.193 0.000 0.000 -0.000 3/36288 470.0 1.614 2.994 1.167 0.000 0.000 -0.000 3/36288 480.0 1.581 2.934 1.143 0.000 0.000 -0.000 3/36288 490.0 1.550 2.878 1.121 0.000 0.000 -0.000 3/36288 500.0 1.520 2.823 1.099 0.000 0.000 -0.000 3/36288 510.0 1.492 2.770 1.077 0.000 0.000 -0.000 3/36288 520.0 1.464 2.720 1.057 0.000 0.000 -0.000 3/36288 530.0 1.438 2.671 1.038 0.000 0.000 -0.000 3/36288 540.0 1.412 2.624 1.019 0.000 0.000 -0.000 3/36288 550.0 1.388 2.579 1.001 0.000 0.000 -0.000 3/36288 560.0 1.364 2.535 0.983 0.000 0.000 -0.000 3/36288 570.0 1.341 2.493 0.966 0.000 0.000 -0.000 3/36288 580.0 1.319 2.452 0.950 0.000 0.000 -0.000 3/36288 590.0 1.298 2.413 0.934 0.000 0.000 -0.000 3/36288 600.0 1.277 2.375 0.919 0.000 0.000 -0.000 3/36288 610.0 1.258 2.338 0.905 0.000 0.000 -0.000 3/36288 620.0 1.238 2.302 0.890 0.000 0.000 -0.000 3/36288 630.0 1.220 2.267 0.877 0.000 0.000 -0.000 3/36288 640.0 1.201 2.234 0.863 0.000 0.000 -0.000 3/36288 650.0 1.184 2.201 0.850 0.000 0.000 -0.000 3/36288 660.0 1.167 2.169 0.838 0.000 0.000 -0.000 3/36288 670.0 1.150 2.139 0.826 0.000 0.000 -0.000 3/36288 680.0 1.134 2.109 0.814 0.000 0.000 -0.000 3/36288 690.0 1.119 2.080 0.802 0.000 0.000 -0.000 3/36288 700.0 1.103 2.051 0.791 0.000 0.000 -0.000 3/36288 710.0 1.089 2.024 0.780 0.000 0.000 -0.000 3/36288 720.0 1.074 1.997 0.770 0.000 0.000 -0.000 3/36288 730.0 1.060 1.971 0.760 0.000 0.000 -0.000 3/36288 740.0 1.047 1.945 0.750 0.000 0.000 -0.000 3/36288 750.0 1.033 1.921 0.740 0.000 0.000 -0.000 3/36288 760.0 1.020 1.896 0.730 0.000 0.000 -0.000 3/36288 770.0 1.008 1.873 0.721 0.000 0.000 -0.000 3/36288 780.0 0.995 1.850 0.712 0.000 0.000 -0.000 3/36288 790.0 0.983 1.828 0.703 0.000 0.000 -0.000 3/36288 800.0 0.972 1.806 0.695 0.000 0.000 -0.000 3/36288 810.0 0.960 1.784 0.686 0.000 0.000 -0.000 3/36288 820.0 0.949 1.763 0.678 0.000 0.000 -0.000 3/36288 830.0 0.938 1.743 0.670 0.000 0.000 -0.000 3/36288 840.0 0.928 1.723 0.663 0.000 0.000 -0.000 3/36288 850.0 0.917 1.704 0.655 0.000 0.000 -0.000 3/36288 860.0 0.907 1.685 0.648 0.000 0.000 -0.000 3/36288 870.0 0.897 1.666 0.640 0.000 0.000 -0.000 3/36288 880.0 0.887 1.648 0.633 0.000 0.000 -0.000 3/36288 890.0 0.878 1.630 0.626 0.000 0.000 -0.000 3/36288 900.0 0.868 1.613 0.619 0.000 0.000 -0.000 3/36288 910.0 0.859 1.595 0.613 0.000 0.000 -0.000 3/36288 920.0 0.850 1.579 0.606 0.000 0.000 -0.000 3/36288 930.0 0.841 1.562 0.600 0.000 0.000 -0.000 3/36288 940.0 0.833 1.546 0.594 0.000 0.000 -0.000 3/36288 950.0 0.824 1.531 0.588 0.000 0.000 -0.000 3/36288 960.0 0.816 1.515 0.582 0.000 0.000 -0.000 3/36288 970.0 0.808 1.500 0.576 0.000 0.000 -0.000 3/36288 980.0 0.800 1.485 0.570 0.000 0.000 -0.000 3/36288 990.0 0.792 1.471 0.564 0.000 0.000 -0.000 3/36288 1000.0 0.785 1.457 0.559 0.000 0.000 -0.000 3/36288 Thermal conductivity related properties were written into "kappa-m687.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:49:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|