----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:02:04]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 16.240255330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.948714430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.099265760000002 Atomic positions (fractional): *1 La 0.69344230928677 0.75000000000000 0.07894578799782 138.905 *2 La 0.34277329365062 0.25000000000000 0.24610700192829 138.905 3 La 0.84277329365062 0.25000000000000 0.25389299807171 138.905 *4 La 0.33034168498724 0.75000000000000 0.58753911881876 138.905 5 La 0.15722670634938 0.75000000000000 0.74610700192830 138.905 6 La 0.80655769071323 0.25000000000000 0.57894578799782 138.905 7 La 0.65722670634938 0.75000000000000 0.75389299807170 138.905 8 La 0.30655769071322 0.25000000000000 0.92105421200218 138.905 9 La 0.16965831501276 0.25000000000000 0.08753911881876 138.905 10 La 0.19344230928677 0.75000000000000 0.42105421200218 138.905 11 La 0.66965831501276 0.25000000000000 0.41246088118124 138.905 12 La 0.83034168498724 0.75000000000000 0.91246088118124 138.905 *13 Tm 0.40374398483029 0.25000000000000 0.74983970733076 168.934 *14 Tm 0.93341902481431 0.25000000000000 0.07888970194547 168.934 *15 Tm 0.44345942585780 0.75000000000000 0.06862859968817 168.934 16 Tm 0.90374398483029 0.25000000000000 0.75016029266924 168.934 17 Tm 0.94345942585780 0.75000000000000 0.43137140031183 168.934 18 Tm 0.56658097518569 0.75000000000000 0.57888970194547 168.934 19 Tm 0.59625601516971 0.75000000000000 0.25016029266924 168.934 20 Tm 0.06658097518569 0.75000000000000 0.92111029805453 168.934 21 Tm 0.43341902481431 0.25000000000000 0.42111029805453 168.934 22 Tm 0.55654057414220 0.25000000000000 0.93137140031183 168.934 23 Tm 0.05654057414220 0.25000000000000 0.56862859968817 168.934 24 Tm 0.09625601516971 0.75000000000000 0.24983970733076 168.934 *25 S 0.73191765832740 0.75000000000000 0.32156661104126 32.065 *26 S 0.95010656376076 0.75000000000000 0.30720618413503 32.065 *27 S 0.70914146990547 0.75000000000000 0.51598098040897 32.065 28 S 0.04989343623924 0.25000000000000 0.69279381586497 32.065 *29 S 0.82274038716693 0.75000000000000 0.68455552109811 32.065 *30 S 0.34126693484707 0.25000000000000 0.06246080907381 32.065 *31 S 0.54257546736132 0.75000000000000 0.44739252613606 32.065 *32 S 0.85415339223863 0.75000000000000 0.14805682978436 32.065 33 S 0.45742453263868 0.25000000000000 0.55260747386394 32.065 34 S 0.54989343623924 0.25000000000000 0.80720618413503 32.065 35 S 0.29085853009453 0.25000000000000 0.48401901959103 32.065 36 S 0.64584660776137 0.25000000000000 0.64805682978436 32.065 *37 S 0.05930692700573 0.25000000000000 0.44126339918094 32.065 38 S 0.55930692700573 0.25000000000000 0.05873660081906 32.065 39 S 0.15873306515293 0.75000000000000 0.56246080907381 32.065 *40 S 0.46515024351305 0.75000000000000 0.68267906933069 32.065 41 S 0.44069307299427 0.75000000000000 0.94126339918094 32.065 42 S 0.96515024351305 0.75000000000000 0.81732093066931 32.065 43 S 0.65873306515293 0.75000000000000 0.93753919092619 32.065 44 S 0.53484975648695 0.25000000000000 0.31732093066931 32.065 45 S 0.23191765832740 0.75000000000000 0.17843338895874 32.065 46 S 0.45010656376076 0.75000000000000 0.19279381586497 32.065 47 S 0.26808234167260 0.25000000000000 0.67843338895874 32.065 48 S 0.03484975648695 0.25000000000000 0.18267906933069 32.065 49 S 0.95742453263868 0.25000000000000 0.94739252613606 32.065 50 S 0.14584660776137 0.25000000000000 0.85194317021564 32.065 51 S 0.67725961283307 0.25000000000000 0.18455552109811 32.065 52 S 0.17725961283307 0.25000000000000 0.31544447890189 32.065 53 S 0.79085853009453 0.25000000000000 0.01598098040897 32.065 54 S 0.35415339223863 0.75000000000000 0.35194317021564 32.065 55 S 0.84126693484707 0.25000000000000 0.43753919092619 32.065 56 S 0.76808234167260 0.25000000000000 0.82156661104126 32.065 57 S 0.20914146990547 0.75000000000000 0.98401901959103 32.065 58 S 0.94069307299427 0.75000000000000 0.55873660081906 32.065 59 S 0.32274038716693 0.75000000000000 0.81544447890189 32.065 60 S 0.04257546736131 0.75000000000000 0.05260747386394 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.240255330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.948714430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.099265760000002 Atomic positions (fractional): *1 La 0.69344230928677 0.75000000000000 0.07894578799782 138.905 > 1 *2 La 0.34277329365062 0.25000000000000 0.24610700192829 138.905 > 2 3 La 0.84277329365062 0.25000000000000 0.25389299807171 138.905 > 3 *4 La 0.33034168498724 0.75000000000000 0.58753911881876 138.905 > 4 5 La 0.15722670634938 0.75000000000000 0.74610700192830 138.905 > 5 6 La 0.80655769071323 0.25000000000000 0.57894578799782 138.905 > 6 7 La 0.65722670634938 0.75000000000000 0.75389299807170 138.905 > 7 8 La 0.30655769071322 0.25000000000000 0.92105421200218 138.905 > 8 9 La 0.16965831501276 0.25000000000000 0.08753911881876 138.905 > 9 10 La 0.19344230928677 0.75000000000000 0.42105421200218 138.905 > 10 11 La 0.66965831501276 0.25000000000000 0.41246088118124 138.905 > 11 12 La 0.83034168498724 0.75000000000000 0.91246088118124 138.905 > 12 *13 Tm 0.40374398483029 0.25000000000000 0.74983970733076 168.934 > 13 *14 Tm 0.93341902481431 0.25000000000000 0.07888970194547 168.934 > 14 *15 Tm 0.44345942585780 0.75000000000000 0.06862859968817 168.934 > 15 16 Tm 0.90374398483029 0.25000000000000 0.75016029266924 168.934 > 16 17 Tm 0.94345942585780 0.75000000000000 0.43137140031183 168.934 > 17 18 Tm 0.56658097518569 0.75000000000000 0.57888970194547 168.934 > 18 19 Tm 0.59625601516971 0.75000000000000 0.25016029266924 168.934 > 19 20 Tm 0.06658097518569 0.75000000000000 0.92111029805453 168.934 > 20 21 Tm 0.43341902481431 0.25000000000000 0.42111029805453 168.934 > 21 22 Tm 0.55654057414220 0.25000000000000 0.93137140031183 168.934 > 22 23 Tm 0.05654057414220 0.25000000000000 0.56862859968817 168.934 > 23 24 Tm 0.09625601516971 0.75000000000000 0.24983970733076 168.934 > 24 *25 S 0.73191765832740 0.75000000000000 0.32156661104126 32.065 > 25 *26 S 0.95010656376076 0.75000000000000 0.30720618413503 32.065 > 26 *27 S 0.70914146990547 0.75000000000000 0.51598098040897 32.065 > 27 28 S 0.04989343623924 0.25000000000000 0.69279381586497 32.065 > 28 *29 S 0.82274038716693 0.75000000000000 0.68455552109811 32.065 > 29 *30 S 0.34126693484707 0.25000000000000 0.06246080907381 32.065 > 30 *31 S 0.54257546736132 0.75000000000000 0.44739252613606 32.065 > 31 *32 S 0.85415339223863 0.75000000000000 0.14805682978436 32.065 > 32 33 S 0.45742453263868 0.25000000000000 0.55260747386394 32.065 > 33 34 S 0.54989343623924 0.25000000000000 0.80720618413503 32.065 > 34 35 S 0.29085853009453 0.25000000000000 0.48401901959103 32.065 > 35 36 S 0.64584660776137 0.25000000000000 0.64805682978436 32.065 > 36 *37 S 0.05930692700573 0.25000000000000 0.44126339918094 32.065 > 37 38 S 0.55930692700573 0.25000000000000 0.05873660081906 32.065 > 38 39 S 0.15873306515293 0.75000000000000 0.56246080907381 32.065 > 39 *40 S 0.46515024351305 0.75000000000000 0.68267906933069 32.065 > 40 41 S 0.44069307299427 0.75000000000000 0.94126339918094 32.065 > 41 42 S 0.96515024351305 0.75000000000000 0.81732093066931 32.065 > 42 43 S 0.65873306515293 0.75000000000000 0.93753919092619 32.065 > 43 44 S 0.53484975648695 0.25000000000000 0.31732093066931 32.065 > 44 45 S 0.23191765832740 0.75000000000000 0.17843338895874 32.065 > 45 46 S 0.45010656376076 0.75000000000000 0.19279381586497 32.065 > 46 47 S 0.26808234167260 0.25000000000000 0.67843338895874 32.065 > 47 48 S 0.03484975648695 0.25000000000000 0.18267906933069 32.065 > 48 49 S 0.95742453263868 0.25000000000000 0.94739252613606 32.065 > 49 50 S 0.14584660776137 0.25000000000000 0.85194317021564 32.065 > 50 51 S 0.67725961283307 0.25000000000000 0.18455552109811 32.065 > 51 52 S 0.17725961283307 0.25000000000000 0.31544447890189 32.065 > 52 53 S 0.79085853009453 0.25000000000000 0.01598098040897 32.065 > 53 54 S 0.35415339223863 0.75000000000000 0.35194317021564 32.065 > 54 55 S 0.84126693484707 0.25000000000000 0.43753919092619 32.065 > 55 56 S 0.76808234167260 0.25000000000000 0.82156661104126 32.065 > 56 57 S 0.20914146990547 0.75000000000000 0.98401901959103 32.065 > 57 58 S 0.94069307299427 0.75000000000000 0.55873660081906 32.065 > 58 59 S 0.32274038716693 0.75000000000000 0.81544447890189 32.065 > 59 60 S 0.04257546736131 0.75000000000000 0.05260747386394 32.065 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.240255330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.897428860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.099265760000002 Atomic positions (fractional): *1 La 0.69344230928677 0.37500000000000 0.07894578799782 138.905 > 1 2 La 0.69344230928677 0.87500000000000 0.07894578799782 138.905 > 1 *3 La 0.34277329365062 0.12500000000000 0.24610700192829 138.905 > 2 4 La 0.34277329365062 0.62500000000000 0.24610700192829 138.905 > 2 5 La 0.84277329365062 0.12500000000000 0.25389299807171 138.905 > 3 6 La 0.84277329365062 0.62500000000000 0.25389299807171 138.905 > 3 *7 La 0.33034168498724 0.37500000000000 0.58753911881876 138.905 > 4 8 La 0.33034168498724 0.87500000000000 0.58753911881876 138.905 > 4 9 La 0.15722670634938 0.37500000000000 0.74610700192830 138.905 > 5 10 La 0.15722670634938 0.87500000000000 0.74610700192830 138.905 > 5 11 La 0.80655769071323 0.12500000000000 0.57894578799782 138.905 > 6 12 La 0.80655769071323 0.62500000000000 0.57894578799782 138.905 > 6 13 La 0.65722670634938 0.37500000000000 0.75389299807170 138.905 > 7 14 La 0.65722670634938 0.87500000000000 0.75389299807170 138.905 > 7 15 La 0.30655769071322 0.12500000000000 0.92105421200218 138.905 > 8 16 La 0.30655769071322 0.62500000000000 0.92105421200218 138.905 > 8 17 La 0.16965831501276 0.12500000000000 0.08753911881876 138.905 > 9 18 La 0.16965831501276 0.62500000000000 0.08753911881876 138.905 > 9 19 La 0.19344230928677 0.37500000000000 0.42105421200218 138.905 > 10 20 La 0.19344230928677 0.87500000000000 0.42105421200218 138.905 > 10 21 La 0.66965831501276 0.12500000000000 0.41246088118124 138.905 > 11 22 La 0.66965831501276 0.62500000000000 0.41246088118124 138.905 > 11 23 La 0.83034168498724 0.37500000000000 0.91246088118124 138.905 > 12 24 La 0.83034168498724 0.87500000000000 0.91246088118124 138.905 > 12 *25 Tm 0.40374398483029 0.12500000000000 0.74983970733076 168.934 > 13 26 Tm 0.40374398483029 0.62500000000000 0.74983970733076 168.934 > 13 *27 Tm 0.93341902481431 0.12500000000000 0.07888970194547 168.934 > 14 28 Tm 0.93341902481431 0.62500000000000 0.07888970194547 168.934 > 14 *29 Tm 0.44345942585780 0.37500000000000 0.06862859968817 168.934 > 15 30 Tm 0.44345942585780 0.87500000000000 0.06862859968817 168.934 > 15 31 Tm 0.90374398483029 0.12500000000000 0.75016029266924 168.934 > 16 32 Tm 0.90374398483029 0.62500000000000 0.75016029266924 168.934 > 16 33 Tm 0.94345942585780 0.37500000000000 0.43137140031183 168.934 > 17 34 Tm 0.94345942585780 0.87500000000000 0.43137140031183 168.934 > 17 35 Tm 0.56658097518569 0.37500000000000 0.57888970194547 168.934 > 18 36 Tm 0.56658097518569 0.87500000000000 0.57888970194547 168.934 > 18 37 Tm 0.59625601516971 0.37500000000000 0.25016029266924 168.934 > 19 38 Tm 0.59625601516971 0.87500000000000 0.25016029266924 168.934 > 19 39 Tm 0.06658097518569 0.37500000000000 0.92111029805453 168.934 > 20 40 Tm 0.06658097518569 0.87500000000000 0.92111029805453 168.934 > 20 41 Tm 0.43341902481431 0.12500000000000 0.42111029805453 168.934 > 21 42 Tm 0.43341902481431 0.62500000000000 0.42111029805453 168.934 > 21 43 Tm 0.55654057414220 0.12500000000000 0.93137140031183 168.934 > 22 44 Tm 0.55654057414220 0.62500000000000 0.93137140031183 168.934 > 22 45 Tm 0.05654057414220 0.12500000000000 0.56862859968817 168.934 > 23 46 Tm 0.05654057414220 0.62500000000000 0.56862859968817 168.934 > 23 47 Tm 0.09625601516971 0.37500000000000 0.24983970733076 168.934 > 24 48 Tm 0.09625601516971 0.87500000000000 0.24983970733076 168.934 > 24 *49 S 0.73191765832740 0.37500000000000 0.32156661104126 32.065 > 25 50 S 0.73191765832740 0.87500000000000 0.32156661104126 32.065 > 25 *51 S 0.95010656376076 0.37500000000000 0.30720618413503 32.065 > 26 52 S 0.95010656376076 0.87500000000000 0.30720618413503 32.065 > 26 *53 S 0.70914146990547 0.37500000000000 0.51598098040897 32.065 > 27 54 S 0.70914146990547 0.87500000000000 0.51598098040897 32.065 > 27 55 S 0.04989343623924 0.12500000000000 0.69279381586497 32.065 > 28 56 S 0.04989343623924 0.62500000000000 0.69279381586497 32.065 > 28 *57 S 0.82274038716693 0.37500000000000 0.68455552109811 32.065 > 29 58 S 0.82274038716693 0.87500000000000 0.68455552109811 32.065 > 29 *59 S 0.34126693484707 0.12500000000000 0.06246080907381 32.065 > 30 60 S 0.34126693484707 0.62500000000000 0.06246080907381 32.065 > 30 *61 S 0.54257546736132 0.37500000000000 0.44739252613606 32.065 > 31 62 S 0.54257546736132 0.87500000000000 0.44739252613606 32.065 > 31 *63 S 0.85415339223863 0.37500000000000 0.14805682978436 32.065 > 32 64 S 0.85415339223863 0.87500000000000 0.14805682978436 32.065 > 32 65 S 0.45742453263868 0.12500000000000 0.55260747386394 32.065 > 33 66 S 0.45742453263868 0.62500000000000 0.55260747386394 32.065 > 33 67 S 0.54989343623924 0.12500000000000 0.80720618413503 32.065 > 34 68 S 0.54989343623924 0.62500000000000 0.80720618413503 32.065 > 34 69 S 0.29085853009453 0.12500000000000 0.48401901959103 32.065 > 35 70 S 0.29085853009453 0.62500000000000 0.48401901959103 32.065 > 35 71 S 0.64584660776137 0.12500000000000 0.64805682978436 32.065 > 36 72 S 0.64584660776137 0.62500000000000 0.64805682978436 32.065 > 36 *73 S 0.05930692700573 0.12500000000000 0.44126339918094 32.065 > 37 74 S 0.05930692700573 0.62500000000000 0.44126339918094 32.065 > 37 75 S 0.55930692700573 0.12500000000000 0.05873660081906 32.065 > 38 76 S 0.55930692700573 0.62500000000000 0.05873660081906 32.065 > 38 77 S 0.15873306515293 0.37500000000000 0.56246080907381 32.065 > 39 78 S 0.15873306515293 0.87500000000000 0.56246080907381 32.065 > 39 *79 S 0.46515024351305 0.37500000000000 0.68267906933069 32.065 > 40 80 S 0.46515024351305 0.87500000000000 0.68267906933069 32.065 > 40 81 S 0.44069307299427 0.37500000000000 0.94126339918094 32.065 > 41 82 S 0.44069307299427 0.87500000000000 0.94126339918094 32.065 > 41 83 S 0.96515024351305 0.37500000000000 0.81732093066931 32.065 > 42 84 S 0.96515024351305 0.87500000000000 0.81732093066931 32.065 > 42 85 S 0.65873306515293 0.37500000000000 0.93753919092619 32.065 > 43 86 S 0.65873306515293 0.87500000000000 0.93753919092619 32.065 > 43 87 S 0.53484975648695 0.12500000000000 0.31732093066931 32.065 > 44 88 S 0.53484975648695 0.62500000000000 0.31732093066931 32.065 > 44 89 S 0.23191765832740 0.37500000000000 0.17843338895874 32.065 > 45 90 S 0.23191765832740 0.87500000000000 0.17843338895874 32.065 > 45 91 S 0.45010656376076 0.37500000000000 0.19279381586497 32.065 > 46 92 S 0.45010656376076 0.87500000000000 0.19279381586497 32.065 > 46 93 S 0.26808234167260 0.12500000000000 0.67843338895874 32.065 > 47 94 S 0.26808234167260 0.62500000000000 0.67843338895874 32.065 > 47 95 S 0.03484975648695 0.12500000000000 0.18267906933069 32.065 > 48 96 S 0.03484975648695 0.62500000000000 0.18267906933069 32.065 > 48 97 S 0.95742453263868 0.12500000000000 0.94739252613606 32.065 > 49 98 S 0.95742453263868 0.62500000000000 0.94739252613606 32.065 > 49 99 S 0.14584660776137 0.12500000000000 0.85194317021564 32.065 > 50 100 S 0.14584660776137 0.62500000000000 0.85194317021564 32.065 > 50 101 S 0.67725961283307 0.12500000000000 0.18455552109811 32.065 > 51 102 S 0.67725961283307 0.62500000000000 0.18455552109811 32.065 > 51 103 S 0.17725961283307 0.12500000000000 0.31544447890189 32.065 > 52 104 S 0.17725961283307 0.62500000000000 0.31544447890189 32.065 > 52 105 S 0.79085853009453 0.12500000000000 0.01598098040897 32.065 > 53 106 S 0.79085853009453 0.62500000000000 0.01598098040897 32.065 > 53 107 S 0.35415339223863 0.37500000000000 0.35194317021564 32.065 > 54 108 S 0.35415339223863 0.87500000000000 0.35194317021564 32.065 > 54 109 S 0.84126693484707 0.12500000000000 0.43753919092619 32.065 > 55 110 S 0.84126693484707 0.62500000000000 0.43753919092619 32.065 > 55 111 S 0.76808234167260 0.12500000000000 0.82156661104126 32.065 > 56 112 S 0.76808234167260 0.62500000000000 0.82156661104126 32.065 > 56 113 S 0.20914146990547 0.37500000000000 0.98401901959103 32.065 > 57 114 S 0.20914146990547 0.87500000000000 0.98401901959103 32.065 > 57 115 S 0.94069307299427 0.37500000000000 0.55873660081906 32.065 > 58 116 S 0.94069307299427 0.87500000000000 0.55873660081906 32.065 > 58 117 S 0.32274038716693 0.37500000000000 0.81544447890189 32.065 > 59 118 S 0.32274038716693 0.87500000000000 0.81544447890189 32.065 > 59 119 S 0.04257546736131 0.37500000000000 0.05260747386394 32.065 > 60 120 S 0.04257546736131 0.87500000000000 0.05260747386394 32.065 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0445570 0.0000000 0.0000000 0.0000000 7.9327159 0.0000000 0.0000000 0.0000000 7.6884896 -------------------------- Born effective charges -------------------------- 1 La 4.1494542 0.0000000 0.0226809 0.0000000 4.3322349 0.0000000 0.0653323 0.0000000 4.0208223 2 La 4.2480929 0.0000000 0.3997090 0.0000000 4.4011581 0.0000000 0.0520827 0.0000000 4.2071232 3 La 4.2480929 0.0000000 -0.3997090 0.0000000 4.4011581 0.0000000 -0.0520827 0.0000000 4.2071232 4 La 4.3361847 0.0000000 0.2477221 0.0000000 4.1074682 0.0000000 0.2794433 0.0000000 3.8019295 5 La 4.2480929 0.0000000 -0.3997090 0.0000000 4.4011581 0.0000000 -0.0520827 0.0000000 4.2071232 6 La 4.1494542 0.0000000 -0.0226809 0.0000000 4.3322349 0.0000000 -0.0653323 0.0000000 4.0208223 7 La 4.2480929 0.0000000 0.3997090 0.0000000 4.4011581 0.0000000 0.0520827 0.0000000 4.2071232 8 La 4.1494542 0.0000000 0.0226809 0.0000000 4.3322349 0.0000000 0.0653323 0.0000000 4.0208223 9 La 4.3361847 0.0000000 -0.2477221 0.0000000 4.1074682 0.0000000 -0.2794433 0.0000000 3.8019295 10 La 4.1494542 0.0000000 -0.0226809 0.0000000 4.3322349 0.0000000 -0.0653323 0.0000000 4.0208223 11 La 4.3361847 0.0000000 0.2477221 0.0000000 4.1074682 0.0000000 0.2794433 0.0000000 3.8019295 12 La 4.3361847 0.0000000 -0.2477221 0.0000000 4.1074682 0.0000000 -0.2794433 0.0000000 3.8019295 13 Tm 4.0641018 0.0000000 0.0891426 0.0000000 4.4000017 0.0000000 -0.1974209 0.0000000 3.4600515 14 Tm 3.9877390 0.0000000 0.1620756 0.0000000 3.6927996 0.0000000 0.0112673 0.0000000 3.5950370 15 Tm 3.6591796 0.0000000 -0.1664471 0.0000000 4.4739954 0.0000000 -0.0672232 0.0000000 3.8611559 16 Tm 4.0641018 0.0000000 -0.0891426 0.0000000 4.4000017 0.0000000 0.1974209 0.0000000 3.4600515 17 Tm 3.6591796 0.0000000 0.1664471 0.0000000 4.4739954 0.0000000 0.0672232 0.0000000 3.8611559 18 Tm 3.9877390 0.0000000 -0.1620756 0.0000000 3.6927996 0.0000000 -0.0112673 0.0000000 3.5950370 19 Tm 4.0641018 0.0000000 0.0891426 0.0000000 4.4000017 0.0000000 -0.1974209 0.0000000 3.4600515 20 Tm 3.9877390 0.0000000 0.1620756 0.0000000 3.6927996 0.0000000 0.0112673 0.0000000 3.5950370 21 Tm 3.9877390 0.0000000 -0.1620756 0.0000000 3.6927996 0.0000000 -0.0112673 0.0000000 3.5950370 22 Tm 3.6591796 0.0000000 -0.1664471 0.0000000 4.4739954 0.0000000 -0.0672232 0.0000000 3.8611559 23 Tm 3.6591796 0.0000000 0.1664471 0.0000000 4.4739954 0.0000000 0.0672232 0.0000000 3.8611559 24 Tm 4.0641018 0.0000000 -0.0891426 0.0000000 4.4000017 0.0000000 0.1974209 0.0000000 3.4600515 25 S -2.7136083 0.0000000 0.5522403 0.0000000 -2.8838142 0.0000000 0.5314243 0.0000000 -2.7565243 26 S -3.0486718 0.0000000 0.0635433 0.0000000 -2.1063487 0.0000000 0.0018923 0.0000000 -3.1477127 27 S -2.5010194 0.0000000 -0.4678404 0.0000000 -2.9133636 0.0000000 -0.4138345 0.0000000 -2.4344186 28 S -3.0486718 0.0000000 0.0635433 0.0000000 -2.1063487 0.0000000 0.0018923 0.0000000 -3.1477127 29 S -2.2066317 0.0000000 -0.3183845 0.0000000 -3.1746392 0.0000000 -0.4881395 0.0000000 -2.9423009 30 S -3.3233213 0.0000000 -0.0676719 0.0000000 -2.6807795 0.0000000 0.0187745 0.0000000 -2.1198291 31 S -2.7908442 0.0000000 0.0673934 0.0000000 -2.9135964 0.0000000 -0.1937432 0.0000000 -1.8580726 32 S -2.1896924 0.0000000 0.4784746 0.0000000 -3.0495192 0.0000000 0.2587600 0.0000000 -2.8581834 33 S -2.7908442 0.0000000 0.0673934 0.0000000 -2.9135964 0.0000000 -0.1937432 0.0000000 -1.8580726 34 S -3.0486718 0.0000000 -0.0635433 0.0000000 -2.1063487 0.0000000 -0.0018923 0.0000000 -3.1477127 35 S -2.5010194 0.0000000 -0.4678404 0.0000000 -2.9133636 0.0000000 -0.4138345 0.0000000 -2.4344186 36 S -2.1896924 0.0000000 -0.4784746 0.0000000 -3.0495192 0.0000000 -0.2587600 0.0000000 -2.8581834 37 S -3.0780308 0.0000000 -0.0245175 0.0000000 -3.1149000 0.0000000 0.1143506 0.0000000 -1.9626596 38 S -3.0780308 0.0000000 0.0245175 0.0000000 -3.1149000 0.0000000 -0.1143506 0.0000000 -1.9626596 39 S -3.3233213 0.0000000 0.0676719 0.0000000 -2.6807795 0.0000000 -0.0187745 0.0000000 -2.1198291 40 S -2.5929325 0.0000000 0.2885387 0.0000000 -2.5706970 0.0000000 0.4301774 0.0000000 -2.8664183 41 S -3.0780308 0.0000000 0.0245175 0.0000000 -3.1149000 0.0000000 -0.1143506 0.0000000 -1.9626596 42 S -2.5929325 0.0000000 -0.2885387 0.0000000 -2.5706970 0.0000000 -0.4301774 0.0000000 -2.8664183 43 S -3.3233213 0.0000000 -0.0676719 0.0000000 -2.6807795 0.0000000 0.0187745 0.0000000 -2.1198291 44 S -2.5929325 0.0000000 0.2885387 0.0000000 -2.5706970 0.0000000 0.4301774 0.0000000 -2.8664183 45 S -2.7136083 0.0000000 -0.5522403 0.0000000 -2.8838142 0.0000000 -0.5314243 0.0000000 -2.7565243 46 S -3.0486718 0.0000000 -0.0635433 0.0000000 -2.1063487 0.0000000 -0.0018923 0.0000000 -3.1477127 47 S -2.7136083 0.0000000 0.5522403 0.0000000 -2.8838142 0.0000000 0.5314243 0.0000000 -2.7565243 48 S -2.5929325 0.0000000 -0.2885387 0.0000000 -2.5706970 0.0000000 -0.4301774 0.0000000 -2.8664183 49 S -2.7908442 0.0000000 -0.0673934 0.0000000 -2.9135964 0.0000000 0.1937432 0.0000000 -1.8580726 50 S -2.1896924 0.0000000 0.4784746 0.0000000 -3.0495192 0.0000000 0.2587600 0.0000000 -2.8581834 51 S -2.2066317 0.0000000 0.3183845 0.0000000 -3.1746392 0.0000000 0.4881395 0.0000000 -2.9423009 52 S -2.2066317 0.0000000 -0.3183845 0.0000000 -3.1746392 0.0000000 -0.4881395 0.0000000 -2.9423009 53 S -2.5010194 0.0000000 0.4678404 0.0000000 -2.9133636 0.0000000 0.4138345 0.0000000 -2.4344186 54 S -2.1896924 0.0000000 -0.4784746 0.0000000 -3.0495192 0.0000000 -0.2587600 0.0000000 -2.8581834 55 S -3.3233213 0.0000000 0.0676719 0.0000000 -2.6807795 0.0000000 -0.0187745 0.0000000 -2.1198291 56 S -2.7136083 0.0000000 -0.5522403 0.0000000 -2.8838142 0.0000000 -0.5314243 0.0000000 -2.7565243 57 S -2.5010194 0.0000000 0.4678404 0.0000000 -2.9133636 0.0000000 0.4138345 0.0000000 -2.4344186 58 S -3.0780308 0.0000000 -0.0245175 0.0000000 -3.1149000 0.0000000 0.1143506 0.0000000 -1.9626596 59 S -2.2066317 0.0000000 0.3183845 0.0000000 -3.1746392 0.0000000 0.4881395 0.0000000 -2.9423009 60 S -2.7908442 0.0000000 -0.0673934 0.0000000 -2.9135964 0.0000000 0.1937432 0.0000000 -1.8580726 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4410 Number of blocks in projector: 4410 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: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1350 / 1350 (1) 320 eigenvectors found. (1) Complementary block size: 90 (1) Compute compressed projector. (1) Use standard solver. (1) 60 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 720 / 720 (1) 205 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 720 / 720 (1) 205 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 720 / 720 (1) 205 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 450 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 450 Use standard eigh solver. Tree of FC basis block matrices: - (4410, 4335), data: False |-- (450, 450), data: True |-- (450, 450), data: True |-- (720, 705), data: False |-- (720, 15), data: (720, 30) @ (30, 15) |-- (220, 205), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (720, 705), data: False |-- (720, 15), data: (720, 30) @ (30, 15) |-- (220, 205), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (720, 705), data: False |-- (720, 15), data: (720, 30) @ (30, 15) |-- (220, 205), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (1350, 1320), data: False |-- (1350, 60), data: (1350, 90) @ (90, 60) |-- (350, 320), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.101 Solver_block: 200 / 960 - Time: 0.996 Solver_block: 300 / 960 - Time: 0.986 Solver_block: 400 / 960 - Time: 0.989 Solver_block: 500 / 960 - Time: 0.991 Solver_block: 600 / 960 - Time: 0.979 Solver_block: 700 / 960 - Time: 0.993 Solver_block: 800 / 960 - Time: 0.990 Solver_block: 900 / 960 - Time: 0.982 Solver_block: 960 / 960 - Time: 0.676 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.963 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4410 Number of blocks in projector: 4410 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: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1350 / 1350 (1) 320 eigenvectors found. (1) Complementary block size: 90 (1) Compute compressed projector. (1) Use standard solver. (1) 60 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 720 / 720 (1) 205 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 720 / 720 (1) 205 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 720 / 720 (1) 205 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 450 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 450 Use standard eigh solver. Tree of FC basis block matrices: - (4410, 4335), data: False |-- (450, 450), data: True |-- (450, 450), data: True |-- (720, 705), data: False |-- (720, 15), data: (720, 30) @ (30, 15) |-- (220, 205), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (720, 705), data: False |-- (720, 15), data: (720, 30) @ (30, 15) |-- (220, 205), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (720, 705), data: False |-- (720, 15), data: (720, 30) @ (30, 15) |-- (220, 205), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (1350, 1320), data: False |-- (1350, 60), data: (1350, 90) @ (90, 60) |-- (350, 320), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), 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 13:02:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:02:58]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 16.240255330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.948714430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.099265760000002 Atomic positions (fractional): 1 La 0.69344230928677 0.75000000000000 0.07894578799782 138.905 2 La 0.34277329365062 0.25000000000000 0.24610700192829 138.905 3 La 0.84277329365062 0.25000000000000 0.25389299807171 138.905 4 La 0.33034168498724 0.75000000000000 0.58753911881876 138.905 5 La 0.15722670634938 0.75000000000000 0.74610700192830 138.905 6 La 0.80655769071323 0.25000000000000 0.57894578799782 138.905 7 La 0.65722670634938 0.75000000000000 0.75389299807170 138.905 8 La 0.30655769071322 0.25000000000000 0.92105421200218 138.905 9 La 0.16965831501276 0.25000000000000 0.08753911881876 138.905 10 La 0.19344230928677 0.75000000000000 0.42105421200218 138.905 11 La 0.66965831501276 0.25000000000000 0.41246088118124 138.905 12 La 0.83034168498724 0.75000000000000 0.91246088118124 138.905 13 Tm 0.40374398483029 0.25000000000000 0.74983970733076 168.934 14 Tm 0.93341902481431 0.25000000000000 0.07888970194547 168.934 15 Tm 0.44345942585780 0.75000000000000 0.06862859968817 168.934 16 Tm 0.90374398483029 0.25000000000000 0.75016029266924 168.934 17 Tm 0.94345942585780 0.75000000000000 0.43137140031183 168.934 18 Tm 0.56658097518569 0.75000000000000 0.57888970194547 168.934 19 Tm 0.59625601516971 0.75000000000000 0.25016029266924 168.934 20 Tm 0.06658097518569 0.75000000000000 0.92111029805453 168.934 21 Tm 0.43341902481431 0.25000000000000 0.42111029805453 168.934 22 Tm 0.55654057414220 0.25000000000000 0.93137140031183 168.934 23 Tm 0.05654057414220 0.25000000000000 0.56862859968817 168.934 24 Tm 0.09625601516971 0.75000000000000 0.24983970733076 168.934 25 S 0.73191765832740 0.75000000000000 0.32156661104126 32.065 26 S 0.95010656376076 0.75000000000000 0.30720618413503 32.065 27 S 0.70914146990547 0.75000000000000 0.51598098040897 32.065 28 S 0.04989343623924 0.25000000000000 0.69279381586497 32.065 29 S 0.82274038716693 0.75000000000000 0.68455552109811 32.065 30 S 0.34126693484707 0.25000000000000 0.06246080907381 32.065 31 S 0.54257546736132 0.75000000000000 0.44739252613606 32.065 32 S 0.85415339223863 0.75000000000000 0.14805682978436 32.065 33 S 0.45742453263868 0.25000000000000 0.55260747386394 32.065 34 S 0.54989343623924 0.25000000000000 0.80720618413503 32.065 35 S 0.29085853009453 0.25000000000000 0.48401901959103 32.065 36 S 0.64584660776137 0.25000000000000 0.64805682978436 32.065 37 S 0.05930692700573 0.25000000000000 0.44126339918094 32.065 38 S 0.55930692700573 0.25000000000000 0.05873660081906 32.065 39 S 0.15873306515293 0.75000000000000 0.56246080907381 32.065 40 S 0.46515024351305 0.75000000000000 0.68267906933069 32.065 41 S 0.44069307299427 0.75000000000000 0.94126339918094 32.065 42 S 0.96515024351305 0.75000000000000 0.81732093066931 32.065 43 S 0.65873306515293 0.75000000000000 0.93753919092619 32.065 44 S 0.53484975648695 0.25000000000000 0.31732093066931 32.065 45 S 0.23191765832740 0.75000000000000 0.17843338895874 32.065 46 S 0.45010656376076 0.75000000000000 0.19279381586497 32.065 47 S 0.26808234167260 0.25000000000000 0.67843338895874 32.065 48 S 0.03484975648695 0.25000000000000 0.18267906933069 32.065 49 S 0.95742453263868 0.25000000000000 0.94739252613606 32.065 50 S 0.14584660776137 0.25000000000000 0.85194317021564 32.065 51 S 0.67725961283307 0.25000000000000 0.18455552109811 32.065 52 S 0.17725961283307 0.25000000000000 0.31544447890189 32.065 53 S 0.79085853009453 0.25000000000000 0.01598098040897 32.065 54 S 0.35415339223863 0.75000000000000 0.35194317021564 32.065 55 S 0.84126693484707 0.25000000000000 0.43753919092619 32.065 56 S 0.76808234167260 0.25000000000000 0.82156661104126 32.065 57 S 0.20914146990547 0.75000000000000 0.98401901959103 32.065 58 S 0.94069307299427 0.75000000000000 0.55873660081906 32.065 59 S 0.32274038716693 0.75000000000000 0.81544447890189 32.065 60 S 0.04257546736131 0.75000000000000 0.05260747386394 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.240255330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.897428860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.099265760000002 Atomic positions (fractional): 1 La 0.69344230928677 0.37500000000000 0.07894578799782 138.905 > 1 2 La 0.69344230928677 0.87500000000000 0.07894578799782 138.905 > 1 3 La 0.34277329365062 0.12500000000000 0.24610700192829 138.905 > 3 4 La 0.34277329365062 0.62500000000000 0.24610700192829 138.905 > 3 5 La 0.84277329365062 0.12500000000000 0.25389299807171 138.905 > 5 6 La 0.84277329365062 0.62500000000000 0.25389299807171 138.905 > 5 7 La 0.33034168498724 0.37500000000000 0.58753911881876 138.905 > 7 8 La 0.33034168498724 0.87500000000000 0.58753911881876 138.905 > 7 9 La 0.15722670634938 0.37500000000000 0.74610700192830 138.905 > 9 10 La 0.15722670634938 0.87500000000000 0.74610700192830 138.905 > 9 11 La 0.80655769071323 0.12500000000000 0.57894578799782 138.905 > 11 12 La 0.80655769071323 0.62500000000000 0.57894578799782 138.905 > 11 13 La 0.65722670634938 0.37500000000000 0.75389299807170 138.905 > 13 14 La 0.65722670634938 0.87500000000000 0.75389299807170 138.905 > 13 15 La 0.30655769071322 0.12500000000000 0.92105421200218 138.905 > 15 16 La 0.30655769071322 0.62500000000000 0.92105421200218 138.905 > 15 17 La 0.16965831501276 0.12500000000000 0.08753911881876 138.905 > 17 18 La 0.16965831501276 0.62500000000000 0.08753911881876 138.905 > 17 19 La 0.19344230928677 0.37500000000000 0.42105421200218 138.905 > 19 20 La 0.19344230928677 0.87500000000000 0.42105421200218 138.905 > 19 21 La 0.66965831501276 0.12500000000000 0.41246088118124 138.905 > 21 22 La 0.66965831501276 0.62500000000000 0.41246088118124 138.905 > 21 23 La 0.83034168498724 0.37500000000000 0.91246088118124 138.905 > 23 24 La 0.83034168498724 0.87500000000000 0.91246088118124 138.905 > 23 25 Tm 0.40374398483029 0.12500000000000 0.74983970733076 168.934 > 25 26 Tm 0.40374398483029 0.62500000000000 0.74983970733076 168.934 > 25 27 Tm 0.93341902481431 0.12500000000000 0.07888970194547 168.934 > 27 28 Tm 0.93341902481431 0.62500000000000 0.07888970194547 168.934 > 27 29 Tm 0.44345942585780 0.37500000000000 0.06862859968817 168.934 > 29 30 Tm 0.44345942585780 0.87500000000000 0.06862859968817 168.934 > 29 31 Tm 0.90374398483029 0.12500000000000 0.75016029266924 168.934 > 31 32 Tm 0.90374398483029 0.62500000000000 0.75016029266924 168.934 > 31 33 Tm 0.94345942585780 0.37500000000000 0.43137140031183 168.934 > 33 34 Tm 0.94345942585780 0.87500000000000 0.43137140031183 168.934 > 33 35 Tm 0.56658097518569 0.37500000000000 0.57888970194547 168.934 > 35 36 Tm 0.56658097518569 0.87500000000000 0.57888970194547 168.934 > 35 37 Tm 0.59625601516971 0.37500000000000 0.25016029266924 168.934 > 37 38 Tm 0.59625601516971 0.87500000000000 0.25016029266924 168.934 > 37 39 Tm 0.06658097518569 0.37500000000000 0.92111029805453 168.934 > 39 40 Tm 0.06658097518569 0.87500000000000 0.92111029805453 168.934 > 39 41 Tm 0.43341902481431 0.12500000000000 0.42111029805453 168.934 > 41 42 Tm 0.43341902481431 0.62500000000000 0.42111029805453 168.934 > 41 43 Tm 0.55654057414220 0.12500000000000 0.93137140031183 168.934 > 43 44 Tm 0.55654057414220 0.62500000000000 0.93137140031183 168.934 > 43 45 Tm 0.05654057414220 0.12500000000000 0.56862859968817 168.934 > 45 46 Tm 0.05654057414220 0.62500000000000 0.56862859968817 168.934 > 45 47 Tm 0.09625601516971 0.37500000000000 0.24983970733076 168.934 > 47 48 Tm 0.09625601516971 0.87500000000000 0.24983970733076 168.934 > 47 49 S 0.73191765832740 0.37500000000000 0.32156661104126 32.065 > 49 50 S 0.73191765832740 0.87500000000000 0.32156661104126 32.065 > 49 51 S 0.95010656376076 0.37500000000000 0.30720618413503 32.065 > 51 52 S 0.95010656376076 0.87500000000000 0.30720618413503 32.065 > 51 53 S 0.70914146990547 0.37500000000000 0.51598098040897 32.065 > 53 54 S 0.70914146990547 0.87500000000000 0.51598098040897 32.065 > 53 55 S 0.04989343623924 0.12500000000000 0.69279381586497 32.065 > 55 56 S 0.04989343623924 0.62500000000000 0.69279381586497 32.065 > 55 57 S 0.82274038716693 0.37500000000000 0.68455552109811 32.065 > 57 58 S 0.82274038716693 0.87500000000000 0.68455552109811 32.065 > 57 59 S 0.34126693484707 0.12500000000000 0.06246080907381 32.065 > 59 60 S 0.34126693484707 0.62500000000000 0.06246080907381 32.065 > 59 61 S 0.54257546736132 0.37500000000000 0.44739252613606 32.065 > 61 62 S 0.54257546736132 0.87500000000000 0.44739252613606 32.065 > 61 63 S 0.85415339223863 0.37500000000000 0.14805682978436 32.065 > 63 64 S 0.85415339223863 0.87500000000000 0.14805682978436 32.065 > 63 65 S 0.45742453263868 0.12500000000000 0.55260747386394 32.065 > 65 66 S 0.45742453263868 0.62500000000000 0.55260747386394 32.065 > 65 67 S 0.54989343623924 0.12500000000000 0.80720618413503 32.065 > 67 68 S 0.54989343623924 0.62500000000000 0.80720618413503 32.065 > 67 69 S 0.29085853009453 0.12500000000000 0.48401901959103 32.065 > 69 70 S 0.29085853009453 0.62500000000000 0.48401901959103 32.065 > 69 71 S 0.64584660776137 0.12500000000000 0.64805682978436 32.065 > 71 72 S 0.64584660776137 0.62500000000000 0.64805682978436 32.065 > 71 73 S 0.05930692700573 0.12500000000000 0.44126339918094 32.065 > 73 74 S 0.05930692700573 0.62500000000000 0.44126339918094 32.065 > 73 75 S 0.55930692700573 0.12500000000000 0.05873660081906 32.065 > 75 76 S 0.55930692700573 0.62500000000000 0.05873660081906 32.065 > 75 77 S 0.15873306515293 0.37500000000000 0.56246080907381 32.065 > 77 78 S 0.15873306515293 0.87500000000000 0.56246080907381 32.065 > 77 79 S 0.46515024351305 0.37500000000000 0.68267906933069 32.065 > 79 80 S 0.46515024351305 0.87500000000000 0.68267906933069 32.065 > 79 81 S 0.44069307299427 0.37500000000000 0.94126339918094 32.065 > 81 82 S 0.44069307299427 0.87500000000000 0.94126339918094 32.065 > 81 83 S 0.96515024351305 0.37500000000000 0.81732093066931 32.065 > 83 84 S 0.96515024351305 0.87500000000000 0.81732093066931 32.065 > 83 85 S 0.65873306515293 0.37500000000000 0.93753919092619 32.065 > 85 86 S 0.65873306515293 0.87500000000000 0.93753919092619 32.065 > 85 87 S 0.53484975648695 0.12500000000000 0.31732093066931 32.065 > 87 88 S 0.53484975648695 0.62500000000000 0.31732093066931 32.065 > 87 89 S 0.23191765832740 0.37500000000000 0.17843338895874 32.065 > 89 90 S 0.23191765832740 0.87500000000000 0.17843338895874 32.065 > 89 91 S 0.45010656376076 0.37500000000000 0.19279381586497 32.065 > 91 92 S 0.45010656376076 0.87500000000000 0.19279381586497 32.065 > 91 93 S 0.26808234167260 0.12500000000000 0.67843338895874 32.065 > 93 94 S 0.26808234167260 0.62500000000000 0.67843338895874 32.065 > 93 95 S 0.03484975648695 0.12500000000000 0.18267906933069 32.065 > 95 96 S 0.03484975648695 0.62500000000000 0.18267906933069 32.065 > 95 97 S 0.95742453263868 0.12500000000000 0.94739252613606 32.065 > 97 98 S 0.95742453263868 0.62500000000000 0.94739252613606 32.065 > 97 99 S 0.14584660776137 0.12500000000000 0.85194317021564 32.065 > 99 100 S 0.14584660776137 0.62500000000000 0.85194317021564 32.065 > 99 101 S 0.67725961283307 0.12500000000000 0.18455552109811 32.065 > 101 102 S 0.67725961283307 0.62500000000000 0.18455552109811 32.065 > 101 103 S 0.17725961283307 0.12500000000000 0.31544447890189 32.065 > 103 104 S 0.17725961283307 0.62500000000000 0.31544447890189 32.065 > 103 105 S 0.79085853009453 0.12500000000000 0.01598098040897 32.065 > 105 106 S 0.79085853009453 0.62500000000000 0.01598098040897 32.065 > 105 107 S 0.35415339223863 0.37500000000000 0.35194317021564 32.065 > 107 108 S 0.35415339223863 0.87500000000000 0.35194317021564 32.065 > 107 109 S 0.84126693484707 0.12500000000000 0.43753919092619 32.065 > 109 110 S 0.84126693484707 0.62500000000000 0.43753919092619 32.065 > 109 111 S 0.76808234167260 0.12500000000000 0.82156661104126 32.065 > 111 112 S 0.76808234167260 0.62500000000000 0.82156661104126 32.065 > 111 113 S 0.20914146990547 0.37500000000000 0.98401901959103 32.065 > 113 114 S 0.20914146990547 0.87500000000000 0.98401901959103 32.065 > 113 115 S 0.94069307299427 0.37500000000000 0.55873660081906 32.065 > 115 116 S 0.94069307299427 0.87500000000000 0.55873660081906 32.065 > 115 117 S 0.32274038716693 0.37500000000000 0.81544447890189 32.065 > 117 118 S 0.32274038716693 0.87500000000000 0.81544447890189 32.065 > 117 119 S 0.04257546736131 0.37500000000000 0.05260747386394 32.065 > 119 120 S 0.04257546736131 0.87500000000000 0.05260747386394 32.065 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0445570 0.0000000 0.0000000 0.0000000 7.9327159 0.0000000 0.0000000 0.0000000 7.6884896 -------------------------- Born effective charges -------------------------- 1 La 4.1494542 0.0000000 0.0226809 0.0000000 4.3322349 0.0000000 0.0653323 0.0000000 4.0208223 2 La 4.2480929 0.0000000 0.3997090 0.0000000 4.4011581 0.0000000 0.0520827 0.0000000 4.2071232 3 La 4.2480929 0.0000000 -0.3997090 0.0000000 4.4011581 0.0000000 -0.0520827 0.0000000 4.2071232 4 La 4.3361847 0.0000000 0.2477221 0.0000000 4.1074682 0.0000000 0.2794433 0.0000000 3.8019295 5 La 4.2480929 0.0000000 -0.3997090 0.0000000 4.4011581 0.0000000 -0.0520827 0.0000000 4.2071232 6 La 4.1494542 0.0000000 -0.0226809 0.0000000 4.3322349 0.0000000 -0.0653323 0.0000000 4.0208223 7 La 4.2480929 0.0000000 0.3997090 0.0000000 4.4011581 0.0000000 0.0520827 0.0000000 4.2071232 8 La 4.1494542 0.0000000 0.0226809 0.0000000 4.3322349 0.0000000 0.0653323 0.0000000 4.0208223 9 La 4.3361847 0.0000000 -0.2477221 0.0000000 4.1074682 0.0000000 -0.2794433 0.0000000 3.8019295 10 La 4.1494542 0.0000000 -0.0226809 0.0000000 4.3322349 0.0000000 -0.0653323 0.0000000 4.0208223 11 La 4.3361847 0.0000000 0.2477221 0.0000000 4.1074682 0.0000000 0.2794433 0.0000000 3.8019295 12 La 4.3361847 0.0000000 -0.2477221 0.0000000 4.1074682 0.0000000 -0.2794433 0.0000000 3.8019295 13 Tm 4.0641018 0.0000000 0.0891426 0.0000000 4.4000017 0.0000000 -0.1974209 0.0000000 3.4600515 14 Tm 3.9877390 0.0000000 0.1620756 0.0000000 3.6927996 0.0000000 0.0112673 0.0000000 3.5950370 15 Tm 3.6591796 0.0000000 -0.1664471 0.0000000 4.4739954 0.0000000 -0.0672232 0.0000000 3.8611559 16 Tm 4.0641018 0.0000000 -0.0891426 0.0000000 4.4000017 0.0000000 0.1974209 0.0000000 3.4600515 17 Tm 3.6591796 0.0000000 0.1664471 0.0000000 4.4739954 0.0000000 0.0672232 0.0000000 3.8611559 18 Tm 3.9877390 0.0000000 -0.1620756 0.0000000 3.6927996 0.0000000 -0.0112673 0.0000000 3.5950370 19 Tm 4.0641018 0.0000000 0.0891426 0.0000000 4.4000017 0.0000000 -0.1974209 0.0000000 3.4600515 20 Tm 3.9877390 0.0000000 0.1620756 0.0000000 3.6927996 0.0000000 0.0112673 0.0000000 3.5950370 21 Tm 3.9877390 0.0000000 -0.1620756 0.0000000 3.6927996 0.0000000 -0.0112673 0.0000000 3.5950370 22 Tm 3.6591796 0.0000000 -0.1664471 0.0000000 4.4739954 0.0000000 -0.0672232 0.0000000 3.8611559 23 Tm 3.6591796 0.0000000 0.1664471 0.0000000 4.4739954 0.0000000 0.0672232 0.0000000 3.8611559 24 Tm 4.0641018 0.0000000 -0.0891426 0.0000000 4.4000017 0.0000000 0.1974209 0.0000000 3.4600515 25 S -2.7136083 0.0000000 0.5522403 0.0000000 -2.8838142 0.0000000 0.5314243 0.0000000 -2.7565243 26 S -3.0486718 0.0000000 0.0635433 0.0000000 -2.1063487 0.0000000 0.0018923 0.0000000 -3.1477127 27 S -2.5010194 0.0000000 -0.4678404 0.0000000 -2.9133636 0.0000000 -0.4138345 0.0000000 -2.4344186 28 S -3.0486718 0.0000000 0.0635433 0.0000000 -2.1063487 0.0000000 0.0018923 0.0000000 -3.1477127 29 S -2.2066317 0.0000000 -0.3183845 0.0000000 -3.1746392 0.0000000 -0.4881395 0.0000000 -2.9423009 30 S -3.3233213 0.0000000 -0.0676719 0.0000000 -2.6807795 0.0000000 0.0187745 0.0000000 -2.1198291 31 S -2.7908442 0.0000000 0.0673934 0.0000000 -2.9135964 0.0000000 -0.1937432 0.0000000 -1.8580726 32 S -2.1896924 0.0000000 0.4784746 0.0000000 -3.0495192 0.0000000 0.2587600 0.0000000 -2.8581834 33 S -2.7908442 0.0000000 0.0673934 0.0000000 -2.9135964 0.0000000 -0.1937432 0.0000000 -1.8580726 34 S -3.0486718 0.0000000 -0.0635433 0.0000000 -2.1063487 0.0000000 -0.0018923 0.0000000 -3.1477127 35 S -2.5010194 0.0000000 -0.4678404 0.0000000 -2.9133636 0.0000000 -0.4138345 0.0000000 -2.4344186 36 S -2.1896924 0.0000000 -0.4784746 0.0000000 -3.0495192 0.0000000 -0.2587600 0.0000000 -2.8581834 37 S -3.0780308 0.0000000 -0.0245175 0.0000000 -3.1149000 0.0000000 0.1143506 0.0000000 -1.9626596 38 S -3.0780308 0.0000000 0.0245175 0.0000000 -3.1149000 0.0000000 -0.1143506 0.0000000 -1.9626596 39 S -3.3233213 0.0000000 0.0676719 0.0000000 -2.6807795 0.0000000 -0.0187745 0.0000000 -2.1198291 40 S -2.5929325 0.0000000 0.2885387 0.0000000 -2.5706970 0.0000000 0.4301774 0.0000000 -2.8664183 41 S -3.0780308 0.0000000 0.0245175 0.0000000 -3.1149000 0.0000000 -0.1143506 0.0000000 -1.9626596 42 S -2.5929325 0.0000000 -0.2885387 0.0000000 -2.5706970 0.0000000 -0.4301774 0.0000000 -2.8664183 43 S -3.3233213 0.0000000 -0.0676719 0.0000000 -2.6807795 0.0000000 0.0187745 0.0000000 -2.1198291 44 S -2.5929325 0.0000000 0.2885387 0.0000000 -2.5706970 0.0000000 0.4301774 0.0000000 -2.8664183 45 S -2.7136083 0.0000000 -0.5522403 0.0000000 -2.8838142 0.0000000 -0.5314243 0.0000000 -2.7565243 46 S -3.0486718 0.0000000 -0.0635433 0.0000000 -2.1063487 0.0000000 -0.0018923 0.0000000 -3.1477127 47 S -2.7136083 0.0000000 0.5522403 0.0000000 -2.8838142 0.0000000 0.5314243 0.0000000 -2.7565243 48 S -2.5929325 0.0000000 -0.2885387 0.0000000 -2.5706970 0.0000000 -0.4301774 0.0000000 -2.8664183 49 S -2.7908442 0.0000000 -0.0673934 0.0000000 -2.9135964 0.0000000 0.1937432 0.0000000 -1.8580726 50 S -2.1896924 0.0000000 0.4784746 0.0000000 -3.0495192 0.0000000 0.2587600 0.0000000 -2.8581834 51 S -2.2066317 0.0000000 0.3183845 0.0000000 -3.1746392 0.0000000 0.4881395 0.0000000 -2.9423009 52 S -2.2066317 0.0000000 -0.3183845 0.0000000 -3.1746392 0.0000000 -0.4881395 0.0000000 -2.9423009 53 S -2.5010194 0.0000000 0.4678404 0.0000000 -2.9133636 0.0000000 0.4138345 0.0000000 -2.4344186 54 S -2.1896924 0.0000000 -0.4784746 0.0000000 -3.0495192 0.0000000 -0.2587600 0.0000000 -2.8581834 55 S -3.3233213 0.0000000 0.0676719 0.0000000 -2.6807795 0.0000000 -0.0187745 0.0000000 -2.1198291 56 S -2.7136083 0.0000000 -0.5522403 0.0000000 -2.8838142 0.0000000 -0.5314243 0.0000000 -2.7565243 57 S -2.5010194 0.0000000 0.4678404 0.0000000 -2.9133636 0.0000000 0.4138345 0.0000000 -2.4344186 58 S -3.0780308 0.0000000 -0.0245175 0.0000000 -3.1149000 0.0000000 0.1143506 0.0000000 -1.9626596 59 S -2.2066317 0.0000000 0.3183845 0.0000000 -3.1746392 0.0000000 0.4881395 0.0000000 -2.9423009 60 S -2.7908442 0.0000000 -0.0673934 0.0000000 -2.9135964 0.0000000 0.1937432 0.0000000 -1.8580726 ---------------------------------------------------------------------------- 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[ 3, 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[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, 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[ 29, 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[ 51, 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[ 53, 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[ 57, 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[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 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[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, 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: 0.00000004 (yzy) 0.00000004 (yzy) 0.00000004 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:03:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:04:00]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 16.240255330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.948714430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.099265760000002 Atomic positions (fractional): 1 La 0.69344230928677 0.75000000000000 0.07894578799782 138.905 2 La 0.34277329365062 0.25000000000000 0.24610700192829 138.905 3 La 0.84277329365062 0.25000000000000 0.25389299807171 138.905 4 La 0.33034168498724 0.75000000000000 0.58753911881876 138.905 5 La 0.15722670634938 0.75000000000000 0.74610700192830 138.905 6 La 0.80655769071323 0.25000000000000 0.57894578799782 138.905 7 La 0.65722670634938 0.75000000000000 0.75389299807170 138.905 8 La 0.30655769071322 0.25000000000000 0.92105421200218 138.905 9 La 0.16965831501276 0.25000000000000 0.08753911881876 138.905 10 La 0.19344230928677 0.75000000000000 0.42105421200218 138.905 11 La 0.66965831501276 0.25000000000000 0.41246088118124 138.905 12 La 0.83034168498724 0.75000000000000 0.91246088118124 138.905 13 Tm 0.40374398483029 0.25000000000000 0.74983970733076 168.934 14 Tm 0.93341902481431 0.25000000000000 0.07888970194547 168.934 15 Tm 0.44345942585780 0.75000000000000 0.06862859968817 168.934 16 Tm 0.90374398483029 0.25000000000000 0.75016029266924 168.934 17 Tm 0.94345942585780 0.75000000000000 0.43137140031183 168.934 18 Tm 0.56658097518569 0.75000000000000 0.57888970194547 168.934 19 Tm 0.59625601516971 0.75000000000000 0.25016029266924 168.934 20 Tm 0.06658097518569 0.75000000000000 0.92111029805453 168.934 21 Tm 0.43341902481431 0.25000000000000 0.42111029805453 168.934 22 Tm 0.55654057414220 0.25000000000000 0.93137140031183 168.934 23 Tm 0.05654057414220 0.25000000000000 0.56862859968817 168.934 24 Tm 0.09625601516971 0.75000000000000 0.24983970733076 168.934 25 S 0.73191765832740 0.75000000000000 0.32156661104126 32.065 26 S 0.95010656376076 0.75000000000000 0.30720618413503 32.065 27 S 0.70914146990547 0.75000000000000 0.51598098040897 32.065 28 S 0.04989343623924 0.25000000000000 0.69279381586497 32.065 29 S 0.82274038716693 0.75000000000000 0.68455552109811 32.065 30 S 0.34126693484707 0.25000000000000 0.06246080907381 32.065 31 S 0.54257546736132 0.75000000000000 0.44739252613606 32.065 32 S 0.85415339223863 0.75000000000000 0.14805682978436 32.065 33 S 0.45742453263868 0.25000000000000 0.55260747386394 32.065 34 S 0.54989343623924 0.25000000000000 0.80720618413503 32.065 35 S 0.29085853009453 0.25000000000000 0.48401901959103 32.065 36 S 0.64584660776137 0.25000000000000 0.64805682978436 32.065 37 S 0.05930692700573 0.25000000000000 0.44126339918094 32.065 38 S 0.55930692700573 0.25000000000000 0.05873660081906 32.065 39 S 0.15873306515293 0.75000000000000 0.56246080907381 32.065 40 S 0.46515024351305 0.75000000000000 0.68267906933069 32.065 41 S 0.44069307299427 0.75000000000000 0.94126339918094 32.065 42 S 0.96515024351305 0.75000000000000 0.81732093066931 32.065 43 S 0.65873306515293 0.75000000000000 0.93753919092619 32.065 44 S 0.53484975648695 0.25000000000000 0.31732093066931 32.065 45 S 0.23191765832740 0.75000000000000 0.17843338895874 32.065 46 S 0.45010656376076 0.75000000000000 0.19279381586497 32.065 47 S 0.26808234167260 0.25000000000000 0.67843338895874 32.065 48 S 0.03484975648695 0.25000000000000 0.18267906933069 32.065 49 S 0.95742453263868 0.25000000000000 0.94739252613606 32.065 50 S 0.14584660776137 0.25000000000000 0.85194317021564 32.065 51 S 0.67725961283307 0.25000000000000 0.18455552109811 32.065 52 S 0.17725961283307 0.25000000000000 0.31544447890189 32.065 53 S 0.79085853009453 0.25000000000000 0.01598098040897 32.065 54 S 0.35415339223863 0.75000000000000 0.35194317021564 32.065 55 S 0.84126693484707 0.25000000000000 0.43753919092619 32.065 56 S 0.76808234167260 0.25000000000000 0.82156661104126 32.065 57 S 0.20914146990547 0.75000000000000 0.98401901959103 32.065 58 S 0.94069307299427 0.75000000000000 0.55873660081906 32.065 59 S 0.32274038716693 0.75000000000000 0.81544447890189 32.065 60 S 0.04257546736131 0.75000000000000 0.05260747386394 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.240255330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.897428860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.099265760000002 Atomic positions (fractional): 1 La 0.69344230928677 0.37500000000000 0.07894578799782 138.905 > 1 2 La 0.69344230928677 0.87500000000000 0.07894578799782 138.905 > 1 3 La 0.34277329365062 0.12500000000000 0.24610700192829 138.905 > 3 4 La 0.34277329365062 0.62500000000000 0.24610700192829 138.905 > 3 5 La 0.84277329365062 0.12500000000000 0.25389299807171 138.905 > 5 6 La 0.84277329365062 0.62500000000000 0.25389299807171 138.905 > 5 7 La 0.33034168498724 0.37500000000000 0.58753911881876 138.905 > 7 8 La 0.33034168498724 0.87500000000000 0.58753911881876 138.905 > 7 9 La 0.15722670634938 0.37500000000000 0.74610700192830 138.905 > 9 10 La 0.15722670634938 0.87500000000000 0.74610700192830 138.905 > 9 11 La 0.80655769071323 0.12500000000000 0.57894578799782 138.905 > 11 12 La 0.80655769071323 0.62500000000000 0.57894578799782 138.905 > 11 13 La 0.65722670634938 0.37500000000000 0.75389299807170 138.905 > 13 14 La 0.65722670634938 0.87500000000000 0.75389299807170 138.905 > 13 15 La 0.30655769071322 0.12500000000000 0.92105421200218 138.905 > 15 16 La 0.30655769071322 0.62500000000000 0.92105421200218 138.905 > 15 17 La 0.16965831501276 0.12500000000000 0.08753911881876 138.905 > 17 18 La 0.16965831501276 0.62500000000000 0.08753911881876 138.905 > 17 19 La 0.19344230928677 0.37500000000000 0.42105421200218 138.905 > 19 20 La 0.19344230928677 0.87500000000000 0.42105421200218 138.905 > 19 21 La 0.66965831501276 0.12500000000000 0.41246088118124 138.905 > 21 22 La 0.66965831501276 0.62500000000000 0.41246088118124 138.905 > 21 23 La 0.83034168498724 0.37500000000000 0.91246088118124 138.905 > 23 24 La 0.83034168498724 0.87500000000000 0.91246088118124 138.905 > 23 25 Tm 0.40374398483029 0.12500000000000 0.74983970733076 168.934 > 25 26 Tm 0.40374398483029 0.62500000000000 0.74983970733076 168.934 > 25 27 Tm 0.93341902481431 0.12500000000000 0.07888970194547 168.934 > 27 28 Tm 0.93341902481431 0.62500000000000 0.07888970194547 168.934 > 27 29 Tm 0.44345942585780 0.37500000000000 0.06862859968817 168.934 > 29 30 Tm 0.44345942585780 0.87500000000000 0.06862859968817 168.934 > 29 31 Tm 0.90374398483029 0.12500000000000 0.75016029266924 168.934 > 31 32 Tm 0.90374398483029 0.62500000000000 0.75016029266924 168.934 > 31 33 Tm 0.94345942585780 0.37500000000000 0.43137140031183 168.934 > 33 34 Tm 0.94345942585780 0.87500000000000 0.43137140031183 168.934 > 33 35 Tm 0.56658097518569 0.37500000000000 0.57888970194547 168.934 > 35 36 Tm 0.56658097518569 0.87500000000000 0.57888970194547 168.934 > 35 37 Tm 0.59625601516971 0.37500000000000 0.25016029266924 168.934 > 37 38 Tm 0.59625601516971 0.87500000000000 0.25016029266924 168.934 > 37 39 Tm 0.06658097518569 0.37500000000000 0.92111029805453 168.934 > 39 40 Tm 0.06658097518569 0.87500000000000 0.92111029805453 168.934 > 39 41 Tm 0.43341902481431 0.12500000000000 0.42111029805453 168.934 > 41 42 Tm 0.43341902481431 0.62500000000000 0.42111029805453 168.934 > 41 43 Tm 0.55654057414220 0.12500000000000 0.93137140031183 168.934 > 43 44 Tm 0.55654057414220 0.62500000000000 0.93137140031183 168.934 > 43 45 Tm 0.05654057414220 0.12500000000000 0.56862859968817 168.934 > 45 46 Tm 0.05654057414220 0.62500000000000 0.56862859968817 168.934 > 45 47 Tm 0.09625601516971 0.37500000000000 0.24983970733076 168.934 > 47 48 Tm 0.09625601516971 0.87500000000000 0.24983970733076 168.934 > 47 49 S 0.73191765832740 0.37500000000000 0.32156661104126 32.065 > 49 50 S 0.73191765832740 0.87500000000000 0.32156661104126 32.065 > 49 51 S 0.95010656376076 0.37500000000000 0.30720618413503 32.065 > 51 52 S 0.95010656376076 0.87500000000000 0.30720618413503 32.065 > 51 53 S 0.70914146990547 0.37500000000000 0.51598098040897 32.065 > 53 54 S 0.70914146990547 0.87500000000000 0.51598098040897 32.065 > 53 55 S 0.04989343623924 0.12500000000000 0.69279381586497 32.065 > 55 56 S 0.04989343623924 0.62500000000000 0.69279381586497 32.065 > 55 57 S 0.82274038716693 0.37500000000000 0.68455552109811 32.065 > 57 58 S 0.82274038716693 0.87500000000000 0.68455552109811 32.065 > 57 59 S 0.34126693484707 0.12500000000000 0.06246080907381 32.065 > 59 60 S 0.34126693484707 0.62500000000000 0.06246080907381 32.065 > 59 61 S 0.54257546736132 0.37500000000000 0.44739252613606 32.065 > 61 62 S 0.54257546736132 0.87500000000000 0.44739252613606 32.065 > 61 63 S 0.85415339223863 0.37500000000000 0.14805682978436 32.065 > 63 64 S 0.85415339223863 0.87500000000000 0.14805682978436 32.065 > 63 65 S 0.45742453263868 0.12500000000000 0.55260747386394 32.065 > 65 66 S 0.45742453263868 0.62500000000000 0.55260747386394 32.065 > 65 67 S 0.54989343623924 0.12500000000000 0.80720618413503 32.065 > 67 68 S 0.54989343623924 0.62500000000000 0.80720618413503 32.065 > 67 69 S 0.29085853009453 0.12500000000000 0.48401901959103 32.065 > 69 70 S 0.29085853009453 0.62500000000000 0.48401901959103 32.065 > 69 71 S 0.64584660776137 0.12500000000000 0.64805682978436 32.065 > 71 72 S 0.64584660776137 0.62500000000000 0.64805682978436 32.065 > 71 73 S 0.05930692700573 0.12500000000000 0.44126339918094 32.065 > 73 74 S 0.05930692700573 0.62500000000000 0.44126339918094 32.065 > 73 75 S 0.55930692700573 0.12500000000000 0.05873660081906 32.065 > 75 76 S 0.55930692700573 0.62500000000000 0.05873660081906 32.065 > 75 77 S 0.15873306515293 0.37500000000000 0.56246080907381 32.065 > 77 78 S 0.15873306515293 0.87500000000000 0.56246080907381 32.065 > 77 79 S 0.46515024351305 0.37500000000000 0.68267906933069 32.065 > 79 80 S 0.46515024351305 0.87500000000000 0.68267906933069 32.065 > 79 81 S 0.44069307299427 0.37500000000000 0.94126339918094 32.065 > 81 82 S 0.44069307299427 0.87500000000000 0.94126339918094 32.065 > 81 83 S 0.96515024351305 0.37500000000000 0.81732093066931 32.065 > 83 84 S 0.96515024351305 0.87500000000000 0.81732093066931 32.065 > 83 85 S 0.65873306515293 0.37500000000000 0.93753919092619 32.065 > 85 86 S 0.65873306515293 0.87500000000000 0.93753919092619 32.065 > 85 87 S 0.53484975648695 0.12500000000000 0.31732093066931 32.065 > 87 88 S 0.53484975648695 0.62500000000000 0.31732093066931 32.065 > 87 89 S 0.23191765832740 0.37500000000000 0.17843338895874 32.065 > 89 90 S 0.23191765832740 0.87500000000000 0.17843338895874 32.065 > 89 91 S 0.45010656376076 0.37500000000000 0.19279381586497 32.065 > 91 92 S 0.45010656376076 0.87500000000000 0.19279381586497 32.065 > 91 93 S 0.26808234167260 0.12500000000000 0.67843338895874 32.065 > 93 94 S 0.26808234167260 0.62500000000000 0.67843338895874 32.065 > 93 95 S 0.03484975648695 0.12500000000000 0.18267906933069 32.065 > 95 96 S 0.03484975648695 0.62500000000000 0.18267906933069 32.065 > 95 97 S 0.95742453263868 0.12500000000000 0.94739252613606 32.065 > 97 98 S 0.95742453263868 0.62500000000000 0.94739252613606 32.065 > 97 99 S 0.14584660776137 0.12500000000000 0.85194317021564 32.065 > 99 100 S 0.14584660776137 0.62500000000000 0.85194317021564 32.065 > 99 101 S 0.67725961283307 0.12500000000000 0.18455552109811 32.065 > 101 102 S 0.67725961283307 0.62500000000000 0.18455552109811 32.065 > 101 103 S 0.17725961283307 0.12500000000000 0.31544447890189 32.065 > 103 104 S 0.17725961283307 0.62500000000000 0.31544447890189 32.065 > 103 105 S 0.79085853009453 0.12500000000000 0.01598098040897 32.065 > 105 106 S 0.79085853009453 0.62500000000000 0.01598098040897 32.065 > 105 107 S 0.35415339223863 0.37500000000000 0.35194317021564 32.065 > 107 108 S 0.35415339223863 0.87500000000000 0.35194317021564 32.065 > 107 109 S 0.84126693484707 0.12500000000000 0.43753919092619 32.065 > 109 110 S 0.84126693484707 0.62500000000000 0.43753919092619 32.065 > 109 111 S 0.76808234167260 0.12500000000000 0.82156661104126 32.065 > 111 112 S 0.76808234167260 0.62500000000000 0.82156661104126 32.065 > 111 113 S 0.20914146990547 0.37500000000000 0.98401901959103 32.065 > 113 114 S 0.20914146990547 0.87500000000000 0.98401901959103 32.065 > 113 115 S 0.94069307299427 0.37500000000000 0.55873660081906 32.065 > 115 116 S 0.94069307299427 0.87500000000000 0.55873660081906 32.065 > 115 117 S 0.32274038716693 0.37500000000000 0.81544447890189 32.065 > 117 118 S 0.32274038716693 0.87500000000000 0.81544447890189 32.065 > 117 119 S 0.04257546736131 0.37500000000000 0.05260747386394 32.065 > 119 120 S 0.04257546736131 0.87500000000000 0.05260747386394 32.065 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.0445570 0.0000000 0.0000000 0.0000000 7.9327159 0.0000000 0.0000000 0.0000000 7.6884896 -------------------------- Born effective charges -------------------------- 1 La 4.1494542 0.0000000 0.0226809 0.0000000 4.3322349 0.0000000 0.0653323 0.0000000 4.0208223 2 La 4.2480929 0.0000000 0.3997090 0.0000000 4.4011581 0.0000000 0.0520827 0.0000000 4.2071232 3 La 4.2480929 0.0000000 -0.3997090 0.0000000 4.4011581 0.0000000 -0.0520827 0.0000000 4.2071232 4 La 4.3361847 0.0000000 0.2477221 0.0000000 4.1074682 0.0000000 0.2794433 0.0000000 3.8019295 5 La 4.2480929 0.0000000 -0.3997090 0.0000000 4.4011581 0.0000000 -0.0520827 0.0000000 4.2071232 6 La 4.1494542 0.0000000 -0.0226809 0.0000000 4.3322349 0.0000000 -0.0653323 0.0000000 4.0208223 7 La 4.2480929 0.0000000 0.3997090 0.0000000 4.4011581 0.0000000 0.0520827 0.0000000 4.2071232 8 La 4.1494542 0.0000000 0.0226809 0.0000000 4.3322349 0.0000000 0.0653323 0.0000000 4.0208223 9 La 4.3361847 0.0000000 -0.2477221 0.0000000 4.1074682 0.0000000 -0.2794433 0.0000000 3.8019295 10 La 4.1494542 0.0000000 -0.0226809 0.0000000 4.3322349 0.0000000 -0.0653323 0.0000000 4.0208223 11 La 4.3361847 0.0000000 0.2477221 0.0000000 4.1074682 0.0000000 0.2794433 0.0000000 3.8019295 12 La 4.3361847 0.0000000 -0.2477221 0.0000000 4.1074682 0.0000000 -0.2794433 0.0000000 3.8019295 13 Tm 4.0641018 0.0000000 0.0891426 0.0000000 4.4000017 0.0000000 -0.1974209 0.0000000 3.4600515 14 Tm 3.9877390 0.0000000 0.1620756 0.0000000 3.6927996 0.0000000 0.0112673 0.0000000 3.5950370 15 Tm 3.6591796 0.0000000 -0.1664471 0.0000000 4.4739954 0.0000000 -0.0672232 0.0000000 3.8611559 16 Tm 4.0641018 0.0000000 -0.0891426 0.0000000 4.4000017 0.0000000 0.1974209 0.0000000 3.4600515 17 Tm 3.6591796 0.0000000 0.1664471 0.0000000 4.4739954 0.0000000 0.0672232 0.0000000 3.8611559 18 Tm 3.9877390 0.0000000 -0.1620756 0.0000000 3.6927996 0.0000000 -0.0112673 0.0000000 3.5950370 19 Tm 4.0641018 0.0000000 0.0891426 0.0000000 4.4000017 0.0000000 -0.1974209 0.0000000 3.4600515 20 Tm 3.9877390 0.0000000 0.1620756 0.0000000 3.6927996 0.0000000 0.0112673 0.0000000 3.5950370 21 Tm 3.9877390 0.0000000 -0.1620756 0.0000000 3.6927996 0.0000000 -0.0112673 0.0000000 3.5950370 22 Tm 3.6591796 0.0000000 -0.1664471 0.0000000 4.4739954 0.0000000 -0.0672232 0.0000000 3.8611559 23 Tm 3.6591796 0.0000000 0.1664471 0.0000000 4.4739954 0.0000000 0.0672232 0.0000000 3.8611559 24 Tm 4.0641018 0.0000000 -0.0891426 0.0000000 4.4000017 0.0000000 0.1974209 0.0000000 3.4600515 25 S -2.7136083 0.0000000 0.5522403 0.0000000 -2.8838142 0.0000000 0.5314243 0.0000000 -2.7565243 26 S -3.0486718 0.0000000 0.0635433 0.0000000 -2.1063487 0.0000000 0.0018923 0.0000000 -3.1477127 27 S -2.5010194 0.0000000 -0.4678404 0.0000000 -2.9133636 0.0000000 -0.4138345 0.0000000 -2.4344186 28 S -3.0486718 0.0000000 0.0635433 0.0000000 -2.1063487 0.0000000 0.0018923 0.0000000 -3.1477127 29 S -2.2066317 0.0000000 -0.3183845 0.0000000 -3.1746392 0.0000000 -0.4881395 0.0000000 -2.9423009 30 S -3.3233213 0.0000000 -0.0676719 0.0000000 -2.6807795 0.0000000 0.0187745 0.0000000 -2.1198291 31 S -2.7908442 0.0000000 0.0673934 0.0000000 -2.9135964 0.0000000 -0.1937432 0.0000000 -1.8580726 32 S -2.1896924 0.0000000 0.4784746 0.0000000 -3.0495192 0.0000000 0.2587600 0.0000000 -2.8581834 33 S -2.7908442 0.0000000 0.0673934 0.0000000 -2.9135964 0.0000000 -0.1937432 0.0000000 -1.8580726 34 S -3.0486718 0.0000000 -0.0635433 0.0000000 -2.1063487 0.0000000 -0.0018923 0.0000000 -3.1477127 35 S -2.5010194 0.0000000 -0.4678404 0.0000000 -2.9133636 0.0000000 -0.4138345 0.0000000 -2.4344186 36 S -2.1896924 0.0000000 -0.4784746 0.0000000 -3.0495192 0.0000000 -0.2587600 0.0000000 -2.8581834 37 S -3.0780308 0.0000000 -0.0245175 0.0000000 -3.1149000 0.0000000 0.1143506 0.0000000 -1.9626596 38 S -3.0780308 0.0000000 0.0245175 0.0000000 -3.1149000 0.0000000 -0.1143506 0.0000000 -1.9626596 39 S -3.3233213 0.0000000 0.0676719 0.0000000 -2.6807795 0.0000000 -0.0187745 0.0000000 -2.1198291 40 S -2.5929325 0.0000000 0.2885387 0.0000000 -2.5706970 0.0000000 0.4301774 0.0000000 -2.8664183 41 S -3.0780308 0.0000000 0.0245175 0.0000000 -3.1149000 0.0000000 -0.1143506 0.0000000 -1.9626596 42 S -2.5929325 0.0000000 -0.2885387 0.0000000 -2.5706970 0.0000000 -0.4301774 0.0000000 -2.8664183 43 S -3.3233213 0.0000000 -0.0676719 0.0000000 -2.6807795 0.0000000 0.0187745 0.0000000 -2.1198291 44 S -2.5929325 0.0000000 0.2885387 0.0000000 -2.5706970 0.0000000 0.4301774 0.0000000 -2.8664183 45 S -2.7136083 0.0000000 -0.5522403 0.0000000 -2.8838142 0.0000000 -0.5314243 0.0000000 -2.7565243 46 S -3.0486718 0.0000000 -0.0635433 0.0000000 -2.1063487 0.0000000 -0.0018923 0.0000000 -3.1477127 47 S -2.7136083 0.0000000 0.5522403 0.0000000 -2.8838142 0.0000000 0.5314243 0.0000000 -2.7565243 48 S -2.5929325 0.0000000 -0.2885387 0.0000000 -2.5706970 0.0000000 -0.4301774 0.0000000 -2.8664183 49 S -2.7908442 0.0000000 -0.0673934 0.0000000 -2.9135964 0.0000000 0.1937432 0.0000000 -1.8580726 50 S -2.1896924 0.0000000 0.4784746 0.0000000 -3.0495192 0.0000000 0.2587600 0.0000000 -2.8581834 51 S -2.2066317 0.0000000 0.3183845 0.0000000 -3.1746392 0.0000000 0.4881395 0.0000000 -2.9423009 52 S -2.2066317 0.0000000 -0.3183845 0.0000000 -3.1746392 0.0000000 -0.4881395 0.0000000 -2.9423009 53 S -2.5010194 0.0000000 0.4678404 0.0000000 -2.9133636 0.0000000 0.4138345 0.0000000 -2.4344186 54 S -2.1896924 0.0000000 -0.4784746 0.0000000 -3.0495192 0.0000000 -0.2587600 0.0000000 -2.8581834 55 S -3.3233213 0.0000000 0.0676719 0.0000000 -2.6807795 0.0000000 -0.0187745 0.0000000 -2.1198291 56 S -2.7136083 0.0000000 -0.5522403 0.0000000 -2.8838142 0.0000000 -0.5314243 0.0000000 -2.7565243 57 S -2.5010194 0.0000000 0.4678404 0.0000000 -2.9133636 0.0000000 0.4138345 0.0000000 -2.4344186 58 S -3.0780308 0.0000000 -0.0245175 0.0000000 -3.1149000 0.0000000 0.1143506 0.0000000 -1.9626596 59 S -2.2066317 0.0000000 0.3183845 0.0000000 -3.1746392 0.0000000 0.4881395 0.0000000 -2.9423009 60 S -2.7908442 0.0000000 -0.0673934 0.0000000 -2.9135964 0.0000000 0.1937432 0.0000000 -1.8580726 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (yzy) 0.00000004 (yzy) 0.00000004 (yyz) 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 ... [ 3 13 2 ] 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: 0.38, Number of G-points: 313, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/28) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.997 ( 0.000 0.000 0.000) 0.000 1.105 ( 0.000 0.000 0.000) 0.000 1.219 ( 0.000 0.000 0.000) 0.000 1.245 ( 0.000 0.000 0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.361 ( 0.000 0.000 0.000) 0.000 1.363 ( 0.000 0.000 0.000) 0.000 1.420 ( 0.000 0.000 0.000) 0.000 1.441 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.531 ( 0.000 0.000 0.000) 0.000 1.585 ( 0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.047 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.261 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.341 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.447 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.851 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 4.068 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.610 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.283 ( 0.000 0.000 0.000) 0.000 5.324 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.562 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 5.858 ( 0.000 0.000 0.000) 0.000 5.868 ( 0.000 0.000 0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.064 ( 0.000 0.000 0.000) 0.000 6.078 ( 0.000 0.000 0.000) 0.000 6.112 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.235 ( 0.000 0.000 0.000) 0.000 6.240 ( 0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.342 ( 0.000 0.000 0.000) 0.000 6.401 ( 0.000 0.000 0.000) 0.000 6.450 ( 0.000 0.000 0.000) 0.000 6.488 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.518 ( 0.000 0.000 0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 6.603 ( 0.000 0.000 0.000) 0.000 6.690 ( 0.000 0.000 0.000) 0.000 6.710 ( 0.000 0.000 0.000) 0.000 6.715 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 6.869 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 6.883 ( 0.000 0.000 0.000) 0.000 6.887 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.104 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 7.223 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.257 ( 0.000 0.000 0.000) 0.000 7.266 ( 0.000 0.000 0.000) 0.000 7.323 ( 0.000 0.000 0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 0.000) 0.000 7.473 ( 0.000 0.000 0.000) 0.000 7.474 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.625 ( 0.000 0.000 0.000) 0.000 7.627 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.820 ( 0.000 0.000 0.000) 0.000 7.849 ( 0.000 0.000 0.000) 0.000 7.886 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 0.000) 0.000 8.047 ( 0.000 0.000 0.000) 0.000 8.084 ( 0.000 0.000 0.000) 0.000 8.084 ( 0.000 0.000 0.000) 0.000 8.113 ( 0.000 0.000 0.000) 0.000 8.279 ( 0.000 0.000 0.000) 0.000 8.331 ( 0.000 0.000 0.000) 0.000 8.339 ( 0.000 0.000 0.000) 0.000 8.407 ( 0.000 0.000 0.000) 0.000 8.459 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 8.583 ( 0.000 0.000 0.000) 0.000 8.806 ( 0.000 0.000 0.000) 0.000 8.923 ( 0.000 0.000 0.000) 0.000 8.969 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.316 ( 0.000 0.000 0.000) 0.000 9.317 ( 0.000 0.000 0.000) 0.000 9.323 ( 0.000 0.000 0.000) 0.000 9.368 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 0.000) 0.000 9.809 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 9.882 ( 0.000 0.000 0.000) 0.000 9.912 ( 0.000 0.000 0.000) 0.000 9.956 ( 0.000 0.000 0.000) 0.000 10.211 ( 0.000 0.000 0.000) 0.000 10.244 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/28) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 24.577 0.000 0.000) 24.577 0.531 ( 25.131 0.000 0.000) 25.131 0.927 ( 40.634 0.000 0.000) 40.634 0.987 ( -18.099 0.000 0.000) 18.099 1.008 ( -19.704 0.000 0.000) 19.704 1.146 ( -2.175 0.000 0.000) 2.175 1.170 ( -8.206 0.000 0.000) 8.206 1.190 ( 10.169 0.000 0.000) 10.169 1.198 ( 3.822 0.000 0.000) 3.822 1.323 ( 4.961 0.000 0.000) 4.961 1.336 ( -4.726 0.000 0.000) 4.726 1.496 ( -10.311 0.000 0.000) 10.311 1.505 ( -8.822 0.000 0.000) 8.822 1.582 ( 1.565 0.000 0.000) 1.565 1.727 ( 4.038 0.000 0.000) 4.038 1.784 ( 7.295 0.000 0.000) 7.295 1.841 ( 10.845 0.000 0.000) 10.845 1.857 ( -21.523 0.000 0.000) 21.523 1.872 ( -2.009 0.000 0.000) 2.009 1.892 ( 5.379 0.000 0.000) 5.379 1.959 ( -3.358 0.000 0.000) 3.358 1.963 ( 8.541 0.000 0.000) 8.541 1.979 ( -2.617 0.000 0.000) 2.617 2.029 ( 1.492 0.000 0.000) 1.492 2.056 ( 0.278 0.000 0.000) 0.278 2.064 ( 0.173 0.000 0.000) 0.173 2.073 ( -1.486 0.000 0.000) 1.486 2.148 ( 11.697 0.000 0.000) 11.697 2.160 ( 6.199 0.000 0.000) 6.199 2.163 ( 10.029 0.000 0.000) 10.029 2.198 ( 1.015 0.000 0.000) 1.015 2.215 ( -15.190 0.000 0.000) 15.190 2.218 ( -0.341 0.000 0.000) 0.341 2.278 ( 4.539 0.000 0.000) 4.539 2.307 ( -6.976 0.000 0.000) 6.976 2.349 ( 2.506 0.000 0.000) 2.506 2.362 ( 4.128 0.000 0.000) 4.128 2.362 ( 0.714 0.000 0.000) 0.714 2.404 ( -2.836 0.000 0.000) 2.836 2.447 ( -3.390 0.000 0.000) 3.390 2.471 ( 5.768 0.000 0.000) 5.768 2.519 ( 12.913 0.000 0.000) 12.913 2.595 ( -14.172 0.000 0.000) 14.172 2.609 ( -17.560 0.000 0.000) 17.560 2.699 ( 0.281 0.000 0.000) 0.281 2.707 ( -0.396 0.000 0.000) 0.396 2.738 ( -16.051 0.000 0.000) 16.051 2.746 ( 0.406 0.000 0.000) 0.406 2.748 ( 0.228 0.000 0.000) 0.228 2.872 ( -8.667 0.000 0.000) 8.667 2.925 ( -6.624 0.000 0.000) 6.624 2.981 ( -15.231 0.000 0.000) 15.231 3.242 ( 9.995 0.000 0.000) 9.995 3.342 ( 17.654 0.000 0.000) 17.654 3.408 ( -6.239 0.000 0.000) 6.239 3.497 ( 8.573 0.000 0.000) 8.573 3.524 ( -0.471 0.000 0.000) 0.471 3.625 ( 1.675 0.000 0.000) 1.675 3.629 ( -1.118 0.000 0.000) 1.118 3.721 ( -5.896 0.000 0.000) 5.896 3.748 ( 0.046 0.000 0.000) 0.046 3.767 ( -2.150 0.000 0.000) 2.150 4.023 ( 12.839 0.000 0.000) 12.839 4.031 ( 15.633 0.000 0.000) 15.633 4.140 ( 6.102 0.000 0.000) 6.102 4.253 ( -0.276 0.000 0.000) 0.276 4.294 ( -3.152 0.000 0.000) 3.152 4.318 ( 4.344 0.000 0.000) 4.344 4.408 ( -7.418 0.000 0.000) 7.418 4.437 ( 5.091 0.000 0.000) 5.091 4.524 ( -5.642 0.000 0.000) 5.642 4.590 ( -3.709 0.000 0.000) 3.709 4.644 ( -2.223 0.000 0.000) 2.223 4.665 ( -3.016 0.000 0.000) 3.016 4.695 ( 1.211 0.000 0.000) 1.211 4.731 ( -1.435 0.000 0.000) 1.435 4.967 ( 4.518 0.000 0.000) 4.518 5.003 ( 2.591 0.000 0.000) 2.591 5.029 ( -3.029 0.000 0.000) 3.029 5.098 ( -3.079 0.000 0.000) 3.079 5.206 ( 1.931 0.000 0.000) 1.931 5.265 ( -3.419 0.000 0.000) 3.419 5.300 ( 2.022 0.000 0.000) 2.022 5.304 ( 1.844 0.000 0.000) 1.844 5.347 ( -2.159 0.000 0.000) 2.159 5.353 ( -2.750 0.000 0.000) 2.750 5.381 ( 3.483 0.000 0.000) 3.483 5.466 ( -4.015 0.000 0.000) 4.015 5.577 ( 1.475 0.000 0.000) 1.475 5.606 ( 2.782 0.000 0.000) 2.782 5.611 ( -1.523 0.000 0.000) 1.523 5.659 ( -2.072 0.000 0.000) 2.072 5.853 ( -0.064 0.000 0.000) 0.064 5.856 ( -0.454 0.000 0.000) 0.454 5.881 ( 0.520 0.000 0.000) 0.520 5.887 ( 2.588 0.000 0.000) 2.588 5.894 ( 1.704 0.000 0.000) 1.704 5.906 ( 0.908 0.000 0.000) 0.908 6.006 ( -1.110 0.000 0.000) 1.110 6.025 ( -0.668 0.000 0.000) 0.668 6.029 ( -0.826 0.000 0.000) 0.826 6.034 ( -1.786 0.000 0.000) 1.786 6.089 ( -1.012 0.000 0.000) 1.012 6.112 ( -3.195 0.000 0.000) 3.195 6.133 ( 3.721 0.000 0.000) 3.721 6.187 ( 0.897 0.000 0.000) 0.897 6.212 ( -1.485 0.000 0.000) 1.485 6.260 ( -6.887 0.000 0.000) 6.887 6.276 ( 0.927 0.000 0.000) 0.927 6.283 ( 0.378 0.000 0.000) 0.378 6.335 ( 1.655 0.000 0.000) 1.655 6.343 ( 9.044 0.000 0.000) 9.044 6.378 ( -1.999 0.000 0.000) 1.999 6.494 ( 0.368 0.000 0.000) 0.368 6.496 ( 0.168 0.000 0.000) 0.168 6.510 ( -3.541 0.000 0.000) 3.541 6.553 ( -1.050 0.000 0.000) 1.050 6.560 ( -1.779 0.000 0.000) 1.779 6.644 ( -0.789 0.000 0.000) 0.789 6.644 ( -4.095 0.000 0.000) 4.095 6.697 ( -0.509 0.000 0.000) 0.509 6.709 ( 0.003 0.000 0.000) 0.003 6.712 ( -0.222 0.000 0.000) 0.222 6.714 ( -3.580 0.000 0.000) 3.580 6.878 ( 0.322 0.000 0.000) 0.322 6.884 ( -0.229 0.000 0.000) 0.229 6.917 ( 3.881 0.000 0.000) 3.881 6.974 ( 0.694 0.000 0.000) 0.694 7.054 ( -1.656 0.000 0.000) 1.656 7.061 ( 3.852 0.000 0.000) 3.852 7.102 ( 4.746 0.000 0.000) 4.746 7.125 ( -0.267 0.000 0.000) 0.267 7.138 ( -3.515 0.000 0.000) 3.515 7.219 ( -4.201 0.000 0.000) 4.201 7.242 ( 0.423 0.000 0.000) 0.423 7.252 ( -0.442 0.000 0.000) 0.442 7.364 ( 1.110 0.000 0.000) 1.110 7.371 ( 0.925 0.000 0.000) 0.925 7.469 ( 0.106 0.000 0.000) 0.106 7.472 ( -0.100 0.000 0.000) 0.100 7.494 ( 5.055 0.000 0.000) 5.055 7.565 ( 7.499 0.000 0.000) 7.499 7.618 ( -4.935 0.000 0.000) 4.935 7.625 ( 0.021 0.000 0.000) 0.021 7.626 ( -0.052 0.000 0.000) 0.052 7.731 ( -7.399 0.000 0.000) 7.399 7.879 ( 1.964 0.000 0.000) 1.964 7.947 ( 5.608 0.000 0.000) 5.608 7.949 ( -5.973 0.000 0.000) 5.973 8.032 ( -0.006 0.000 0.000) 0.006 8.032 ( 0.002 0.000 0.000) 0.002 8.035 ( -2.549 0.000 0.000) 2.549 8.084 ( 0.006 0.000 0.000) 0.006 8.084 ( 0.012 0.000 0.000) 0.012 8.277 ( 0.794 0.000 0.000) 0.794 8.308 ( -1.038 0.000 0.000) 1.038 8.416 ( 0.146 0.000 0.000) 0.146 8.426 ( -1.373 0.000 0.000) 1.373 8.462 ( 3.653 0.000 0.000) 3.653 8.475 ( 1.162 0.000 0.000) 1.162 8.525 ( 2.003 0.000 0.000) 2.003 8.562 ( -1.613 0.000 0.000) 1.613 8.839 ( 1.748 0.000 0.000) 1.748 8.842 ( 0.431 0.000 0.000) 0.431 8.966 ( 1.139 0.000 0.000) 1.139 8.972 ( 0.160 0.000 0.000) 0.160 9.086 ( 4.991 0.000 0.000) 4.991 9.204 ( -5.511 0.000 0.000) 5.511 9.316 ( 0.091 0.000 0.000) 0.091 9.325 ( -0.139 0.000 0.000) 0.139 9.341 ( -0.440 0.000 0.000) 0.440 9.357 ( -0.885 0.000 0.000) 0.885 9.704 ( 0.676 0.000 0.000) 0.676 9.732 ( -2.685 0.000 0.000) 2.685 9.874 ( 0.003 0.000 0.000) 0.003 9.880 ( -0.749 0.000 0.000) 0.749 10.083 ( 7.131 0.000 0.000) 7.131 10.185 ( -2.857 0.000 0.000) 2.857 10.255 ( 0.922 0.000 0.000) 0.922 10.274 ( -0.808 0.000 0.000) 0.808 ======================= Grid point 3 (3/28) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 0.000 24.394 0.000) 24.394 0.476 ( 0.000 24.510 0.000) 24.510 1.053 ( 0.000 51.110 0.000) 51.110 1.095 ( 0.000 9.641 0.000) 9.641 1.259 ( 0.000 4.825 0.000) 4.825 1.338 ( 0.000 17.849 0.000) 17.849 1.354 ( 0.000 8.628 0.000) 8.628 1.381 ( 0.000 3.093 0.000) 3.093 1.396 ( 0.000 6.273 0.000) 6.273 1.457 ( 0.000 2.312 0.000) 2.312 1.543 ( 0.000 7.087 0.000) 7.087 1.557 ( 0.000 15.358 0.000) 15.358 1.630 ( 0.000 16.210 0.000) 16.210 1.647 ( 0.000 6.084 0.000) 6.084 1.702 ( 0.000 13.343 0.000) 13.343 1.775 ( 0.000 0.577 0.000) 0.577 1.827 ( 0.000 2.332 0.000) 2.332 1.887 ( 0.000 9.480 0.000) 9.480 1.901 ( 0.000 13.830 0.000) 13.830 2.023 ( 0.000 2.566 0.000) 2.566 2.027 ( 0.000 9.131 0.000) 9.131 2.046 ( 0.000 10.378 0.000) 10.378 2.046 ( 0.000 8.450 0.000) 8.450 2.130 ( 0.000 6.265 0.000) 6.265 2.149 ( 0.000 3.870 0.000) 3.870 2.167 ( 0.000 10.112 0.000) 10.112 2.208 ( 0.000 15.203 0.000) 15.203 2.214 ( 0.000 13.679 0.000) 13.679 2.244 ( 0.000 7.994 0.000) 7.994 2.253 ( 0.000 14.025 0.000) 14.025 2.279 ( 0.000 4.676 0.000) 4.676 2.288 ( 0.000 8.636 0.000) 8.636 2.322 ( 0.000 0.388 0.000) 0.388 2.344 ( 0.000 10.335 0.000) 10.335 2.383 ( 0.000 11.722 0.000) 11.722 2.429 ( 0.000 3.990 0.000) 3.990 2.432 ( 0.000 -0.008 0.000) 0.008 2.460 ( 0.000 19.687 0.000) 19.687 2.501 ( 0.000 14.705 0.000) 14.705 2.601 ( 0.000 10.737 0.000) 10.737 2.610 ( 0.000 15.253 0.000) 15.253 2.681 ( 0.000 0.947 0.000) 0.947 2.717 ( 0.000 10.053 0.000) 10.053 2.802 ( 0.000 9.266 0.000) 9.266 2.803 ( 0.000 8.756 0.000) 8.756 2.814 ( 0.000 7.339 0.000) 7.339 2.826 ( 0.000 8.217 0.000) 8.217 2.861 ( 0.000 1.341 0.000) 1.341 2.935 ( 0.000 2.888 0.000) 2.888 3.018 ( 0.000 2.929 0.000) 2.929 3.035 ( 0.000 -1.331 0.000) 1.331 3.085 ( 0.000 1.314 0.000) 1.314 3.216 ( 0.000 3.355 0.000) 3.355 3.313 ( 0.000 0.823 0.000) 0.823 3.315 ( 0.000 -0.671 0.000) 0.671 3.333 ( 0.000 1.162 0.000) 1.162 3.514 ( 0.000 -2.295 0.000) 2.295 3.584 ( 0.000 1.903 0.000) 1.903 3.614 ( 0.000 -0.360 0.000) 0.360 3.659 ( 0.000 -2.604 0.000) 2.604 3.688 ( 0.000 -2.063 0.000) 2.063 3.790 ( 0.000 -2.131 0.000) 2.131 3.815 ( 0.000 -3.324 0.000) 3.324 3.829 ( 0.000 -2.099 0.000) 2.099 4.023 ( 0.000 -4.402 0.000) 4.402 4.135 ( 0.000 -3.201 0.000) 3.201 4.213 ( 0.000 -3.478 0.000) 3.478 4.249 ( 0.000 -5.318 0.000) 5.318 4.361 ( 0.000 -6.483 0.000) 6.483 4.461 ( 0.000 -5.433 0.000) 5.433 4.518 ( 0.000 -5.769 0.000) 5.769 4.561 ( 0.000 -4.579 0.000) 4.579 4.628 ( 0.000 -2.521 0.000) 2.521 4.661 ( 0.000 -5.793 0.000) 5.793 4.674 ( 0.000 -5.005 0.000) 5.005 4.681 ( 0.000 -3.808 0.000) 3.808 4.894 ( 0.000 0.053 0.000) 0.053 4.971 ( 0.000 -1.689 0.000) 1.689 5.039 ( 0.000 -1.562 0.000) 1.562 5.076 ( 0.000 -3.143 0.000) 3.143 5.144 ( 0.000 -3.090 0.000) 3.090 5.164 ( 0.000 -1.835 0.000) 1.835 5.291 ( 0.000 -2.701 0.000) 2.701 5.333 ( 0.000 -0.853 0.000) 0.853 5.364 ( 0.000 7.360 0.000) 7.360 5.383 ( 0.000 -0.059 0.000) 0.059 5.456 ( 0.000 5.837 0.000) 5.837 5.465 ( 0.000 6.022 0.000) 6.022 5.583 ( 0.000 -0.839 0.000) 0.839 5.722 ( 0.000 1.058 0.000) 1.058 5.745 ( 0.000 13.489 0.000) 13.489 5.825 ( 0.000 11.426 0.000) 11.426 5.853 ( 0.000 2.324 0.000) 2.324 5.872 ( 0.000 3.104 0.000) 3.104 5.917 ( 0.000 4.475 0.000) 4.475 5.925 ( 0.000 4.018 0.000) 4.018 5.964 ( 0.000 5.671 0.000) 5.671 5.983 ( 0.000 6.303 0.000) 6.303 5.987 ( 0.000 -0.282 0.000) 0.282 6.032 ( 0.000 3.243 0.000) 3.243 6.069 ( 0.000 0.275 0.000) 0.275 6.139 ( 0.000 -1.242 0.000) 1.242 6.150 ( 0.000 4.814 0.000) 4.814 6.191 ( 0.000 -0.414 0.000) 0.414 6.196 ( 0.000 10.692 0.000) 10.692 6.218 ( 0.000 3.408 0.000) 3.408 6.283 ( 0.000 5.303 0.000) 5.303 6.306 ( 0.000 4.821 0.000) 4.821 6.316 ( 0.000 -0.081 0.000) 0.081 6.327 ( 0.000 3.179 0.000) 3.179 6.379 ( 0.000 6.641 0.000) 6.641 6.458 ( 0.000 1.435 0.000) 1.435 6.500 ( 0.000 -1.990 0.000) 1.990 6.508 ( 0.000 9.409 0.000) 9.409 6.527 ( 0.000 -2.406 0.000) 2.406 6.550 ( 0.000 -1.063 0.000) 1.063 6.566 ( 0.000 2.818 0.000) 2.818 6.579 ( 0.000 5.918 0.000) 5.918 6.620 ( 0.000 -2.876 0.000) 2.876 6.724 ( 0.000 1.349 0.000) 1.349 6.777 ( 0.000 5.384 0.000) 5.384 6.778 ( 0.000 6.181 0.000) 6.181 6.789 ( 0.000 3.233 0.000) 3.233 6.799 ( 0.000 -3.189 0.000) 3.189 6.847 ( 0.000 -1.313 0.000) 1.313 6.877 ( 0.000 1.266 0.000) 1.266 6.891 ( 0.000 1.047 0.000) 1.047 6.963 ( 0.000 2.908 0.000) 2.908 7.044 ( 0.000 6.328 0.000) 6.328 7.053 ( 0.000 0.689 0.000) 0.689 7.068 ( 0.000 -3.089 0.000) 3.089 7.148 ( 0.000 -0.693 0.000) 0.693 7.217 ( 0.000 -0.607 0.000) 0.607 7.245 ( 0.000 -1.942 0.000) 1.942 7.272 ( 0.000 3.400 0.000) 3.400 7.278 ( 0.000 1.396 0.000) 1.396 7.340 ( 0.000 2.361 0.000) 2.361 7.380 ( 0.000 1.544 0.000) 1.544 7.441 ( 0.000 -1.530 0.000) 1.530 7.445 ( 0.000 -1.379 0.000) 1.379 7.523 ( 0.000 3.010 0.000) 3.010 7.538 ( 0.000 -1.922 0.000) 1.922 7.636 ( 0.000 0.133 0.000) 0.133 7.638 ( 0.000 0.873 0.000) 0.873 7.779 ( 0.000 10.001 0.000) 10.001 7.795 ( 0.000 -4.113 0.000) 4.113 7.809 ( 0.000 -0.475 0.000) 0.475 7.898 ( 0.000 1.379 0.000) 1.379 7.920 ( 0.000 -5.662 0.000) 5.662 7.991 ( 0.000 -0.687 0.000) 0.687 8.034 ( 0.000 -4.918 0.000) 4.918 8.058 ( 0.000 1.249 0.000) 1.249 8.085 ( 0.000 3.910 0.000) 3.910 8.248 ( 0.000 7.646 0.000) 7.646 8.261 ( 0.000 -1.857 0.000) 1.857 8.305 ( 0.000 -2.984 0.000) 2.984 8.317 ( 0.000 -2.284 0.000) 2.284 8.346 ( 0.000 -5.639 0.000) 5.639 8.424 ( 0.000 -6.486 0.000) 6.486 8.441 ( 0.000 -3.829 0.000) 3.829 8.459 ( 0.000 -0.848 0.000) 0.848 8.508 ( 0.000 -6.545 0.000) 6.545 8.751 ( 0.000 -6.607 0.000) 6.607 8.900 ( 0.000 -2.026 0.000) 2.026 8.901 ( 0.000 -5.335 0.000) 5.335 8.931 ( 0.000 -7.479 0.000) 7.479 9.211 ( 0.000 -7.578 0.000) 7.578 9.220 ( 0.000 -4.307 0.000) 4.307 9.273 ( 0.000 -4.090 0.000) 4.090 9.276 ( 0.000 -4.399 0.000) 4.399 9.282 ( 0.000 -3.916 0.000) 3.916 9.292 ( 0.000 -6.865 0.000) 6.865 9.648 ( 0.000 -4.751 0.000) 4.751 9.723 ( 0.000 -8.254 0.000) 8.254 9.809 ( 0.000 -6.252 0.000) 6.252 9.811 ( 0.000 -6.765 0.000) 6.765 9.871 ( 0.000 -3.932 0.000) 3.932 9.895 ( 0.000 -5.209 0.000) 5.209 10.134 ( 0.000 -7.536 0.000) 7.536 10.155 ( 0.000 -8.481 0.000) 8.481 ======================= Grid point 4 (4/28) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 17.145 15.612 0.000) 23.188 0.788 ( 20.563 15.528 0.000) 25.767 1.059 ( -16.011 7.543 0.000) 17.698 1.166 ( -9.042 9.304 0.000) 12.974 1.216 ( -6.276 6.869 0.000) 9.304 1.227 ( -9.276 9.773 0.000) 13.474 1.278 ( 7.889 9.546 0.000) 12.384 1.335 ( 21.231 35.448 0.000) 41.320 1.433 ( 4.612 18.816 0.000) 19.373 1.475 ( 6.168 11.009 0.000) 12.619 1.528 ( -2.955 13.298 0.000) 13.622 1.573 ( -7.532 12.041 0.000) 14.203 1.651 ( 7.973 5.744 0.000) 9.827 1.664 ( -9.076 13.310 0.000) 16.110 1.741 ( 3.370 2.664 0.000) 4.296 1.850 ( 9.547 1.449 0.000) 9.657 1.903 ( 1.447 8.065 0.000) 8.194 1.935 ( 6.306 2.065 0.000) 6.635 1.970 ( -12.487 11.419 0.000) 16.921 1.986 ( -3.843 6.152 0.000) 7.254 1.997 ( 1.925 8.858 0.000) 9.065 2.021 ( -0.513 8.316 0.000) 8.332 2.105 ( 0.659 10.029 0.000) 10.051 2.131 ( 3.480 9.426 0.000) 10.048 2.160 ( 1.469 5.008 0.000) 5.219 2.183 ( -4.027 9.546 0.000) 10.361 2.197 ( 1.089 12.275 0.000) 12.323 2.227 ( 2.604 8.373 0.000) 8.769 2.261 ( -10.084 6.759 0.000) 12.139 2.268 ( 3.808 11.728 0.000) 12.331 2.277 ( 3.384 10.213 0.000) 10.759 2.320 ( 0.441 9.900 0.000) 9.910 2.322 ( -3.830 3.044 0.000) 4.893 2.331 ( -0.262 9.776 0.000) 9.780 2.385 ( -1.793 6.177 0.000) 6.432 2.404 ( 7.099 4.908 0.000) 8.631 2.427 ( 0.713 13.939 0.000) 13.957 2.450 ( 6.634 1.311 0.000) 6.762 2.536 ( 0.998 14.152 0.000) 14.187 2.564 ( 3.893 10.816 0.000) 11.496 2.577 ( -1.489 16.366 0.000) 16.433 2.580 ( 4.125 8.445 0.000) 9.399 2.644 ( -4.849 6.661 0.000) 8.239 2.663 ( -14.278 6.057 0.000) 15.510 2.757 ( -11.776 4.956 0.000) 12.776 2.796 ( -1.160 8.337 0.000) 8.417 2.800 ( -4.871 8.630 0.000) 9.910 2.829 ( 0.086 7.841 0.000) 7.841 2.841 ( -2.121 7.246 0.000) 7.550 2.883 ( -6.061 1.003 0.000) 6.144 2.926 ( -6.106 2.460 0.000) 6.583 3.003 ( -16.745 4.075 0.000) 17.234 3.223 ( 9.307 -1.644 0.000) 9.451 3.355 ( 16.514 1.742 0.000) 16.606 3.381 ( -6.109 -1.923 0.000) 6.404 3.490 ( 8.985 -0.571 0.000) 9.003 3.529 ( -0.082 0.587 0.000) 0.593 3.615 ( -0.350 -0.387 0.000) 0.522 3.620 ( 0.663 -0.010 0.000) 0.663 3.684 ( -4.676 -3.246 0.000) 5.692 3.718 ( 0.193 -2.775 0.000) 2.782 3.742 ( -2.547 -2.227 0.000) 3.384 3.988 ( 11.642 -3.469 0.000) 12.148 3.993 ( 14.936 -3.755 0.000) 15.400 4.087 ( 6.275 -4.950 0.000) 7.992 4.202 ( -1.156 -5.068 0.000) 5.199 4.236 ( -2.285 -4.918 0.000) 5.423 4.281 ( 6.457 -3.803 0.000) 7.494 4.350 ( -8.963 -5.711 0.000) 10.628 4.380 ( 4.767 -5.644 0.000) 7.388 4.469 ( -4.930 -5.414 0.000) 7.323 4.541 ( -4.764 -5.035 0.000) 6.932 4.600 ( -1.531 -4.089 0.000) 4.366 4.625 ( -2.673 -3.548 0.000) 4.442 4.657 ( 1.535 -3.488 0.000) 3.811 4.685 ( -0.770 -4.072 0.000) 4.144 4.942 ( 3.785 -1.564 0.000) 4.095 4.979 ( 1.288 -1.618 0.000) 2.068 5.007 ( -2.646 -1.587 0.000) 3.086 5.037 ( -3.166 -3.339 0.000) 4.602 5.165 ( 2.048 -2.900 0.000) 3.550 5.205 ( -0.182 -4.126 0.000) 4.130 5.293 ( 1.443 -3.577 0.000) 3.857 5.329 ( -1.012 -4.984 0.000) 5.085 5.385 ( 1.915 7.106 0.000) 7.360 5.392 ( 1.459 5.536 0.000) 5.725 5.429 ( -2.057 6.696 0.000) 7.005 5.439 ( -2.407 6.507 0.000) 6.938 5.629 ( 3.795 -0.339 0.000) 3.810 5.699 ( -2.370 0.945 0.000) 2.552 5.753 ( 1.006 12.231 0.000) 12.273 5.788 ( -2.295 10.651 0.000) 10.896 5.860 ( -0.369 2.908 0.000) 2.931 5.864 ( -0.074 2.101 0.000) 2.102 5.915 ( -0.271 4.251 0.000) 4.260 5.917 ( -0.229 3.620 0.000) 3.627 5.970 ( 1.349 -0.865 0.000) 1.602 6.002 ( 0.277 1.372 0.000) 1.400 6.040 ( 0.996 7.010 0.000) 7.080 6.051 ( 3.987 6.736 0.000) 7.827 6.109 ( -2.836 4.976 0.000) 5.727 6.112 ( 3.730 0.728 0.000) 3.800 6.119 ( -0.983 0.450 0.000) 1.081 6.162 ( -1.060 8.470 0.000) 8.536 6.210 ( 1.604 -0.130 0.000) 1.609 6.218 ( -3.026 2.948 0.000) 4.225 6.219 ( -4.434 8.635 0.000) 9.707 6.258 ( -3.779 2.276 0.000) 4.412 6.326 ( 1.628 5.031 0.000) 5.288 6.359 ( -1.513 5.795 0.000) 5.990 6.373 ( 3.607 3.757 0.000) 5.208 6.442 ( -0.834 5.209 0.000) 5.275 6.470 ( -2.696 6.420 0.000) 6.963 6.493 ( -1.064 -0.564 0.000) 1.204 6.531 ( 0.621 -1.906 0.000) 2.004 6.537 ( 0.307 3.476 0.000) 3.490 6.566 ( -0.842 5.282 0.000) 5.349 6.574 ( -0.544 1.413 0.000) 1.514 6.631 ( 1.339 -3.154 0.000) 3.426 6.685 ( -3.681 0.104 0.000) 3.682 6.688 ( -1.747 4.852 0.000) 5.157 6.690 ( -1.712 4.436 0.000) 4.755 6.756 ( -0.994 3.373 0.000) 3.516 6.768 ( -1.583 4.841 0.000) 5.093 6.916 ( 4.000 0.939 0.000) 4.108 6.928 ( 1.572 5.099 0.000) 5.336 6.970 ( 0.654 5.493 0.000) 5.532 7.029 ( -3.068 0.138 0.000) 3.071 7.038 ( 2.812 0.427 0.000) 2.845 7.055 ( 4.610 -0.495 0.000) 4.637 7.112 ( 2.111 1.127 0.000) 2.393 7.149 ( -1.014 1.742 0.000) 2.015 7.155 ( -1.498 2.191 0.000) 2.654 7.214 ( -3.278 0.150 0.000) 3.281 7.273 ( 0.562 2.494 0.000) 2.556 7.286 ( -0.461 2.921 0.000) 2.957 7.361 ( 0.885 -0.105 0.000) 0.891 7.374 ( -0.564 0.036 0.000) 0.565 7.437 ( 0.572 -1.784 0.000) 1.874 7.446 ( 0.044 -1.529 0.000) 1.530 7.540 ( 2.048 2.483 0.000) 3.219 7.577 ( 6.067 1.052 0.000) 6.157 7.613 ( -2.623 -1.417 0.000) 2.981 7.638 ( 0.536 0.615 0.000) 0.815 7.680 ( -4.972 3.679 0.000) 6.185 7.728 ( -6.858 -0.403 0.000) 6.870 7.839 ( 1.216 -1.614 0.000) 2.021 7.873 ( -2.553 -3.659 0.000) 4.461 7.962 ( 4.229 1.567 0.000) 4.510 8.003 ( -0.138 -1.724 0.000) 1.729 8.049 ( 1.101 -2.817 0.000) 3.025 8.065 ( -0.102 -0.068 0.000) 0.123 8.095 ( 1.313 4.264 0.000) 4.462 8.145 ( -3.796 6.332 0.000) 7.383 8.268 ( 0.986 -0.682 0.000) 1.199 8.292 ( -0.521 -1.984 0.000) 2.051 8.357 ( 0.640 -6.233 0.000) 6.266 8.381 ( -1.872 -5.355 0.000) 5.672 8.462 ( 1.824 -5.949 0.000) 6.222 8.477 ( 1.421 -1.435 0.000) 2.020 8.482 ( 3.368 -0.975 0.000) 3.506 8.493 ( -1.023 -5.303 0.000) 5.401 8.779 ( 1.638 -6.588 0.000) 6.788 8.817 ( -3.987 -2.520 0.000) 4.717 8.903 ( 0.359 -5.673 0.000) 5.684 8.945 ( -5.996 -2.679 0.000) 6.567 9.028 ( 5.907 -4.867 0.000) 7.654 9.154 ( -5.786 -4.756 0.000) 7.490 9.264 ( 0.039 -4.931 0.000) 4.931 9.273 ( -0.653 -5.176 0.000) 5.217 9.290 ( 0.819 -4.501 0.000) 4.575 9.308 ( -0.559 -4.597 0.000) 4.630 9.637 ( 0.229 -6.210 0.000) 6.215 9.661 ( -2.552 -6.940 0.000) 7.394 9.808 ( -0.047 -6.286 0.000) 6.286 9.811 ( -0.356 -6.632 0.000) 6.641 10.002 ( 6.176 -7.468 0.000) 9.691 10.064 ( 3.740 -12.110 0.000) 12.674 10.120 ( 0.070 -8.775 0.000) 8.775 10.150 ( -0.776 -9.540 0.000) 9.571 ======================= Grid point 6 (5/28) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 22.997 0.000) 22.997 0.944 ( 0.000 23.081 0.000) 23.081 1.342 ( 0.000 14.757 0.000) 14.757 1.372 ( 0.000 7.573 0.000) 7.573 1.487 ( 0.000 7.598 0.000) 7.598 1.520 ( 0.000 8.136 0.000) 8.136 1.528 ( 0.000 8.703 0.000) 8.703 1.551 ( 0.000 7.395 0.000) 7.395 1.664 ( 0.000 11.931 0.000) 11.931 1.677 ( 0.000 9.915 0.000) 9.915 1.769 ( 0.000 4.330 0.000) 4.330 1.834 ( 0.000 6.932 0.000) 6.932 1.837 ( 0.000 11.038 0.000) 11.038 1.871 ( 0.000 8.965 0.000) 8.965 1.881 ( 0.000 4.392 0.000) 4.392 1.968 ( 0.000 12.386 0.000) 12.386 2.003 ( 0.000 28.615 0.000) 28.615 2.073 ( 0.000 6.624 0.000) 6.624 2.133 ( 0.000 9.715 0.000) 9.715 2.202 ( 0.000 15.480 0.000) 15.480 2.203 ( 0.000 15.197 0.000) 15.197 2.205 ( 0.000 6.222 0.000) 6.222 2.222 ( 0.000 5.055 0.000) 5.055 2.281 ( 0.000 10.195 0.000) 10.195 2.300 ( 0.000 4.470 0.000) 4.470 2.355 ( 0.000 1.155 0.000) 1.155 2.356 ( 0.000 8.473 0.000) 8.473 2.357 ( 0.000 7.920 0.000) 7.920 2.397 ( 0.000 11.038 0.000) 11.038 2.433 ( 0.000 3.622 0.000) 3.622 2.464 ( 0.000 12.603 0.000) 12.603 2.514 ( 0.000 12.161 0.000) 12.161 2.518 ( 0.000 8.059 0.000) 8.059 2.535 ( 0.000 13.597 0.000) 13.597 2.599 ( 0.000 15.167 0.000) 15.167 2.645 ( 0.000 15.865 0.000) 15.865 2.763 ( 0.000 11.344 0.000) 11.344 2.765 ( 0.000 22.864 0.000) 22.864 2.812 ( 0.000 14.630 0.000) 14.630 2.845 ( 0.000 -1.612 0.000) 1.612 2.891 ( 0.000 16.243 0.000) 16.243 2.926 ( 0.000 14.837 0.000) 14.837 2.956 ( 0.000 4.917 0.000) 4.917 2.957 ( 0.000 6.452 0.000) 6.452 3.001 ( 0.000 16.881 0.000) 16.881 3.017 ( 0.000 10.697 0.000) 10.697 3.022 ( 0.000 12.176 0.000) 12.176 3.050 ( 0.000 16.476 0.000) 16.476 3.091 ( 0.000 5.226 0.000) 5.226 3.115 ( 0.000 18.734 0.000) 18.734 3.117 ( 0.000 21.728 0.000) 21.728 3.184 ( 0.000 11.868 0.000) 11.868 3.318 ( 0.000 1.338 0.000) 1.338 3.368 ( 0.000 5.748 0.000) 5.748 3.371 ( 0.000 12.305 0.000) 12.305 3.430 ( 0.000 10.545 0.000) 10.545 3.474 ( 0.000 -0.295 0.000) 0.295 3.598 ( 0.000 0.127 0.000) 0.127 3.607 ( 0.000 -1.004 0.000) 1.004 3.654 ( 0.000 5.368 0.000) 5.368 3.720 ( 0.000 7.759 0.000) 7.759 3.733 ( 0.000 -3.404 0.000) 3.404 3.742 ( 0.000 -3.329 0.000) 3.329 3.794 ( 0.000 -0.481 0.000) 0.481 3.919 ( 0.000 -5.067 0.000) 5.067 4.045 ( 0.000 -6.035 0.000) 6.035 4.108 ( 0.000 -8.903 0.000) 8.903 4.133 ( 0.000 -4.213 0.000) 4.213 4.188 ( 0.000 -10.973 0.000) 10.973 4.318 ( 0.000 -8.588 0.000) 8.588 4.364 ( 0.000 -9.544 0.000) 9.544 4.441 ( 0.000 -8.174 0.000) 8.174 4.517 ( 0.000 -7.621 0.000) 7.621 4.561 ( 0.000 -4.114 0.000) 4.114 4.576 ( 0.000 -4.850 0.000) 4.850 4.595 ( 0.000 -4.655 0.000) 4.655 4.919 ( 0.000 2.712 0.000) 2.712 4.951 ( 0.000 -0.070 0.000) 0.070 5.006 ( 0.000 -3.707 0.000) 3.707 5.022 ( 0.000 -0.323 0.000) 0.323 5.096 ( 0.000 -1.681 0.000) 1.681 5.127 ( 0.000 -1.742 0.000) 1.742 5.233 ( 0.000 -4.421 0.000) 4.421 5.236 ( 0.000 -2.702 0.000) 2.702 5.523 ( 0.000 8.695 0.000) 8.695 5.535 ( 0.000 9.438 0.000) 9.438 5.566 ( 0.000 -0.633 0.000) 0.633 5.588 ( 0.000 7.109 0.000) 7.109 5.598 ( 0.000 7.080 0.000) 7.080 5.689 ( 0.000 -3.549 0.000) 3.549 5.916 ( 0.000 2.792 0.000) 2.792 5.916 ( 0.000 -2.133 0.000) 2.133 5.926 ( 0.000 1.819 0.000) 1.819 5.933 ( 0.000 2.109 0.000) 2.109 5.996 ( 0.000 6.596 0.000) 6.596 5.999 ( 0.000 7.341 0.000) 7.341 6.020 ( 0.000 1.128 0.000) 1.128 6.056 ( 0.000 4.789 0.000) 4.789 6.090 ( 0.000 5.803 0.000) 5.803 6.119 ( 0.000 3.524 0.000) 3.524 6.134 ( 0.000 0.877 0.000) 0.877 6.159 ( 0.000 1.641 0.000) 1.641 6.195 ( 0.000 -1.102 0.000) 1.102 6.253 ( 0.000 10.225 0.000) 10.225 6.317 ( 0.000 -1.776 0.000) 1.776 6.342 ( 0.000 4.756 0.000) 4.756 6.366 ( 0.000 4.818 0.000) 4.818 6.399 ( 0.000 5.424 0.000) 5.424 6.405 ( 0.000 3.757 0.000) 3.757 6.412 ( 0.000 4.607 0.000) 4.607 6.458 ( 0.000 -3.858 0.000) 3.858 6.489 ( 0.000 1.607 0.000) 1.607 6.502 ( 0.000 6.919 0.000) 6.919 6.516 ( 0.000 3.853 0.000) 3.853 6.540 ( 0.000 8.179 0.000) 8.179 6.546 ( 0.000 -2.740 0.000) 2.740 6.696 ( 0.000 7.183 0.000) 7.183 6.710 ( 0.000 -4.878 0.000) 4.878 6.723 ( 0.000 8.122 0.000) 8.122 6.734 ( 0.000 8.582 0.000) 8.582 6.764 ( 0.000 0.986 0.000) 0.986 6.818 ( 0.000 2.994 0.000) 2.994 6.839 ( 0.000 1.063 0.000) 1.063 6.871 ( 0.000 1.873 0.000) 1.873 6.911 ( 0.000 7.445 0.000) 7.445 6.970 ( 0.000 7.500 0.000) 7.500 6.980 ( 0.000 8.341 0.000) 8.341 7.019 ( 0.000 -0.961 0.000) 0.961 7.064 ( 0.000 6.159 0.000) 6.159 7.065 ( 0.000 0.077 0.000) 0.077 7.136 ( 0.000 -0.420 0.000) 0.420 7.153 ( 0.000 5.041 0.000) 5.041 7.200 ( 0.000 -2.396 0.000) 2.396 7.204 ( 0.000 -0.316 0.000) 0.316 7.313 ( 0.000 3.023 0.000) 3.023 7.366 ( 0.000 5.800 0.000) 5.800 7.396 ( 0.000 -0.029 0.000) 0.029 7.404 ( 0.000 -2.367 0.000) 2.367 7.415 ( 0.000 4.849 0.000) 4.849 7.428 ( 0.000 -0.826 0.000) 0.826 7.487 ( 0.000 -3.117 0.000) 3.117 7.567 ( 0.000 1.084 0.000) 1.084 7.577 ( 0.000 -6.447 0.000) 6.447 7.643 ( 0.000 -0.362 0.000) 0.362 7.756 ( 0.000 0.465 0.000) 0.465 7.779 ( 0.000 -1.596 0.000) 1.596 7.849 ( 0.000 -2.373 0.000) 2.373 7.885 ( 0.000 -6.636 0.000) 6.636 7.929 ( 0.000 0.874 0.000) 0.874 7.942 ( 0.000 -5.375 0.000) 5.375 8.007 ( 0.000 7.507 0.000) 7.507 8.076 ( 0.000 -7.653 0.000) 7.653 8.087 ( 0.000 0.970 0.000) 0.970 8.172 ( 0.000 -8.617 0.000) 8.617 8.198 ( 0.000 -5.369 0.000) 5.369 8.248 ( 0.000 -5.842 0.000) 5.842 8.285 ( 0.000 -4.377 0.000) 4.377 8.290 ( 0.000 3.377 0.000) 3.377 8.304 ( 0.000 -9.642 0.000) 9.642 8.366 ( 0.000 -3.638 0.000) 3.638 8.394 ( 0.000 5.152 0.000) 5.152 8.485 ( 0.000 1.150 0.000) 1.150 8.532 ( 0.000 -14.204 0.000) 14.204 8.773 ( 0.000 -6.365 0.000) 6.365 8.827 ( 0.000 -2.100 0.000) 2.100 8.862 ( 0.000 -1.521 0.000) 1.521 9.028 ( 0.000 -10.381 0.000) 10.381 9.097 ( 0.000 -7.826 0.000) 7.826 9.168 ( 0.000 -4.565 0.000) 4.565 9.174 ( 0.000 -5.515 0.000) 5.515 9.175 ( 0.000 -5.303 0.000) 5.303 9.180 ( 0.000 -5.817 0.000) 5.817 9.519 ( 0.000 -11.827 0.000) 11.827 9.524 ( 0.000 -7.505 0.000) 7.505 9.636 ( 0.000 -10.444 0.000) 10.444 9.650 ( 0.000 -9.095 0.000) 9.095 9.771 ( 0.000 -5.995 0.000) 5.995 9.784 ( 0.000 -6.030 0.000) 6.030 9.944 ( 0.000 -11.118 0.000) 11.118 9.951 ( 0.000 -11.516 0.000) 11.516 ======================= Grid point 7 (6/28) ======================= q-point: ( 0.33 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 8.702 19.051 0.000) 20.944 1.096 ( 11.560 15.961 0.000) 19.707 1.262 ( -7.142 12.623 0.000) 14.504 1.358 ( -5.473 11.106 0.000) 12.381 1.405 ( -5.516 11.897 0.000) 13.113 1.437 ( -4.104 11.458 0.000) 12.171 1.496 ( 1.689 11.303 0.000) 11.428 1.639 ( 0.177 7.715 0.000) 7.717 1.685 ( 2.690 7.647 0.000) 8.106 1.753 ( 9.726 7.851 0.000) 12.500 1.773 ( 0.870 10.984 0.000) 11.019 1.801 ( 1.374 7.556 0.000) 7.680 1.886 ( -8.151 6.664 0.000) 10.528 1.888 ( 4.748 5.872 0.000) 7.551 1.922 ( -0.494 9.716 0.000) 9.729 1.989 ( 4.846 7.409 0.000) 8.853 1.997 ( -3.772 5.920 0.000) 7.020 2.067 ( 6.334 13.444 0.000) 14.862 2.122 ( -3.863 3.623 0.000) 5.296 2.195 ( -1.391 8.726 0.000) 8.836 2.215 ( 3.768 23.824 0.000) 24.121 2.255 ( 1.056 15.131 0.000) 15.168 2.256 ( 2.957 4.534 0.000) 5.413 2.281 ( -1.342 5.334 0.000) 5.500 2.345 ( 1.809 10.254 0.000) 10.413 2.347 ( 3.207 5.608 0.000) 6.461 2.392 ( 3.542 10.735 0.000) 11.305 2.428 ( 1.974 1.867 0.000) 2.717 2.443 ( 0.245 10.048 0.000) 10.051 2.448 ( -2.117 11.362 0.000) 11.558 2.465 ( 6.547 5.931 0.000) 8.834 2.509 ( 0.170 8.867 0.000) 8.869 2.514 ( -1.360 13.654 0.000) 13.722 2.549 ( 0.327 14.884 0.000) 14.887 2.577 ( -1.840 11.596 0.000) 11.741 2.590 ( -7.528 18.004 0.000) 19.514 2.638 ( -1.026 14.776 0.000) 14.812 2.723 ( -6.950 11.575 0.000) 13.502 2.752 ( -7.137 7.567 0.000) 10.402 2.755 ( -3.263 12.880 0.000) 13.286 2.842 ( -4.341 9.665 0.000) 10.595 2.854 ( -0.266 8.041 0.000) 8.045 2.854 ( -6.835 -0.705 0.000) 6.871 2.936 ( -4.238 20.572 0.000) 21.004 2.938 ( 2.162 21.080 0.000) 21.191 2.983 ( -2.643 14.821 0.000) 15.055 3.011 ( 0.325 13.750 0.000) 13.754 3.030 ( -0.603 13.105 0.000) 13.119 3.086 ( 1.562 23.739 0.000) 23.791 3.108 ( -0.408 22.692 0.000) 22.696 3.189 ( -4.112 21.732 0.000) 22.118 3.199 ( 9.069 1.558 0.000) 9.202 3.240 ( -8.747 19.201 0.000) 21.100 3.363 ( -6.280 1.584 0.000) 6.477 3.431 ( 12.140 5.857 0.000) 13.479 3.474 ( 7.342 -0.888 0.000) 7.395 3.543 ( 1.399 0.070 0.000) 1.401 3.617 ( -5.164 -2.363 0.000) 5.679 3.651 ( 0.879 4.900 0.000) 4.978 3.663 ( 1.685 3.322 0.000) 3.724 3.684 ( -1.772 3.817 0.000) 4.208 3.702 ( -1.895 -0.587 0.000) 1.984 3.893 ( 10.498 -6.286 0.000) 12.236 3.904 ( 7.274 -4.422 0.000) 8.513 3.974 ( 6.481 -5.508 0.000) 8.506 4.068 ( -1.626 -8.268 0.000) 8.426 4.120 ( -2.954 -6.842 0.000) 7.453 4.154 ( 5.089 -9.602 0.000) 10.867 4.224 ( -7.351 -5.948 0.000) 9.456 4.229 ( 3.857 -9.341 0.000) 10.106 4.333 ( -1.946 -7.784 0.000) 8.024 4.402 ( -4.870 -8.693 0.000) 9.964 4.508 ( 0.752 -4.903 0.000) 4.961 4.545 ( -2.237 -4.382 0.000) 4.919 4.577 ( 1.235 -4.488 0.000) 4.655 4.596 ( -0.407 -4.758 0.000) 4.775 4.939 ( 1.861 1.453 0.000) 2.361 4.955 ( 0.674 -0.616 0.000) 0.913 4.982 ( -1.838 -2.408 0.000) 3.029 4.990 ( -2.566 0.005 0.000) 2.566 5.113 ( 1.432 -2.242 0.000) 2.661 5.135 ( -0.125 -2.863 0.000) 2.866 5.238 ( 0.302 -3.449 0.000) 3.462 5.239 ( 0.192 -2.303 0.000) 2.311 5.545 ( 1.843 8.563 0.000) 8.759 5.552 ( 1.423 9.158 0.000) 9.268 5.577 ( -0.631 7.504 0.000) 7.531 5.583 ( -1.472 7.763 0.000) 7.901 5.604 ( 2.838 -1.265 0.000) 3.107 5.666 ( -2.329 -3.286 0.000) 4.028 5.892 ( -0.430 0.555 0.000) 0.702 5.903 ( -1.390 1.008 0.000) 1.717 5.944 ( 0.804 4.681 0.000) 4.750 5.945 ( 1.099 1.236 0.000) 1.654 5.976 ( -1.411 4.953 0.000) 5.150 5.981 ( -1.326 2.551 0.000) 2.875 6.008 ( -0.886 3.110 0.000) 3.234 6.014 ( -1.504 5.553 0.000) 5.753 6.111 ( 0.388 1.588 0.000) 1.635 6.137 ( -0.523 0.956 0.000) 1.090 6.164 ( 1.544 2.491 0.000) 2.930 6.167 ( 0.496 2.302 0.000) 2.355 6.191 ( 3.124 1.386 0.000) 3.418 6.265 ( -3.638 0.317 0.000) 3.651 6.278 ( 2.384 9.536 0.000) 9.829 6.327 ( -2.162 3.264 0.000) 3.915 6.353 ( -1.175 8.445 0.000) 8.526 6.362 ( -2.049 4.672 0.000) 5.102 6.424 ( 2.175 3.107 0.000) 3.793 6.433 ( 1.741 4.403 0.000) 4.734 6.477 ( -1.048 -0.607 0.000) 1.211 6.485 ( -2.156 3.848 0.000) 4.410 6.523 ( 2.678 3.488 0.000) 4.398 6.530 ( 0.482 3.945 0.000) 3.974 6.538 ( 0.508 4.704 0.000) 4.731 6.560 ( 0.815 -1.877 0.000) 2.047 6.655 ( -1.088 6.068 0.000) 6.165 6.655 ( -1.634 2.285 0.000) 2.809 6.700 ( -0.728 4.107 0.000) 4.171 6.709 ( -2.026 9.206 0.000) 9.426 6.759 ( -0.441 2.216 0.000) 2.259 6.794 ( 1.124 2.399 0.000) 2.649 6.836 ( -1.791 6.656 0.000) 6.893 6.885 ( -2.751 5.907 0.000) 6.517 6.979 ( 2.602 5.350 0.000) 5.950 7.002 ( 0.033 1.666 0.000) 1.666 7.042 ( 5.914 1.046 0.000) 6.006 7.056 ( 4.027 3.829 0.000) 5.557 7.069 ( 0.998 2.626 0.000) 2.809 7.080 ( 1.378 3.740 0.000) 3.986 7.151 ( -0.342 -0.530 0.000) 0.631 7.151 ( -1.136 3.182 0.000) 3.379 7.206 ( 1.667 1.583 0.000) 2.299 7.219 ( 1.112 0.282 0.000) 1.147 7.333 ( -1.514 2.111 0.000) 2.598 7.342 ( 0.681 2.816 0.000) 2.897 7.366 ( -1.038 -0.075 0.000) 1.041 7.375 ( -2.928 1.069 0.000) 3.117 7.414 ( 0.428 -0.136 0.000) 0.449 7.428 ( -0.395 -0.187 0.000) 0.437 7.547 ( 4.004 -1.880 0.000) 4.423 7.559 ( -0.085 -3.508 0.000) 3.509 7.589 ( 2.407 -0.266 0.000) 2.421 7.647 ( 1.082 0.853 0.000) 1.378 7.695 ( -5.400 -1.358 0.000) 5.568 7.721 ( -4.903 -0.161 0.000) 4.906 7.826 ( -0.658 -2.392 0.000) 2.481 7.853 ( -3.179 0.537 0.000) 3.224 7.950 ( 3.737 -3.372 0.000) 5.033 7.975 ( 1.540 -2.554 0.000) 2.982 8.048 ( 1.653 1.798 0.000) 2.442 8.077 ( -1.113 0.826 0.000) 1.386 8.111 ( 3.055 -3.063 0.000) 4.326 8.163 ( -1.224 -7.362 0.000) 7.463 8.208 ( 0.669 -7.314 0.000) 7.345 8.236 ( -2.184 -1.637 0.000) 2.729 8.276 ( 0.692 -5.839 0.000) 5.880 8.287 ( -0.368 1.690 0.000) 1.730 8.311 ( 0.425 -8.729 0.000) 8.740 8.335 ( -2.208 -5.940 0.000) 6.337 8.424 ( 1.773 -1.114 0.000) 2.094 8.445 ( -0.907 -5.456 0.000) 5.531 8.624 ( 6.393 -5.661 0.000) 8.540 8.758 ( -1.912 -2.407 0.000) 3.074 8.811 ( -1.218 -3.074 0.000) 3.306 8.841 ( -7.918 -6.641 0.000) 10.335 8.957 ( 3.321 -2.523 0.000) 4.170 9.050 ( -4.111 -5.122 0.000) 6.568 9.146 ( -0.365 -6.534 0.000) 6.544 9.155 ( -0.956 -5.996 0.000) 6.071 9.187 ( 0.848 -5.519 0.000) 5.584 9.200 ( -0.119 -5.837 0.000) 5.838 9.486 ( -1.217 -10.209 0.000) 10.281 9.492 ( -1.513 -8.165 0.000) 8.304 9.650 ( 0.458 -9.445 0.000) 9.456 9.651 ( 0.119 -8.969 0.000) 8.970 9.836 ( 3.619 -8.670 0.000) 9.395 9.849 ( 3.909 -9.710 0.000) 10.467 9.924 ( -1.521 -10.987 0.000) 11.092 9.935 ( -1.522 -11.518 0.000) 11.618 ======================= Grid point 9 (7/28) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 18.281 0.000) 18.281 1.354 ( 0.000 18.485 0.000) 18.485 1.531 ( 0.000 8.305 0.000) 8.305 1.631 ( 0.000 13.281 0.000) 13.281 1.671 ( 0.000 11.817 0.000) 11.817 1.681 ( 0.000 8.430 0.000) 8.430 1.700 ( 0.000 8.375 0.000) 8.375 1.718 ( 0.000 8.992 0.000) 8.992 1.824 ( 0.000 5.060 0.000) 5.060 1.841 ( 0.000 4.056 0.000) 4.056 1.857 ( 0.000 8.352 0.000) 8.352 1.937 ( 0.000 2.507 0.000) 2.507 1.978 ( 0.000 4.715 0.000) 4.715 1.997 ( 0.000 6.504 0.000) 6.504 2.007 ( 0.000 9.699 0.000) 9.699 2.075 ( 0.000 2.482 0.000) 2.482 2.153 ( 0.000 2.351 0.000) 2.351 2.272 ( 0.000 1.477 0.000) 1.477 2.286 ( 0.000 3.188 0.000) 3.188 2.292 ( 0.000 3.748 0.000) 3.748 2.305 ( 0.000 5.717 0.000) 5.717 2.342 ( 0.000 0.723 0.000) 0.723 2.361 ( 0.000 0.993 0.000) 0.993 2.377 ( 0.000 9.502 0.000) 9.502 2.444 ( 0.000 5.620 0.000) 5.620 2.465 ( 0.000 2.817 0.000) 2.817 2.536 ( 0.000 0.884 0.000) 0.884 2.550 ( 0.000 7.410 0.000) 7.410 2.572 ( 0.000 10.506 0.000) 10.506 2.613 ( 0.000 9.920 0.000) 9.920 2.643 ( 0.000 2.869 0.000) 2.869 2.698 ( 0.000 5.775 0.000) 5.775 2.741 ( 0.000 17.309 0.000) 17.309 2.763 ( 0.000 4.655 0.000) 4.655 2.823 ( 0.000 2.620 0.000) 2.620 2.865 ( 0.000 4.423 0.000) 4.423 2.866 ( 0.000 6.265 0.000) 6.265 2.901 ( 0.000 5.219 0.000) 5.219 2.982 ( 0.000 5.710 0.000) 5.710 3.005 ( 0.000 1.896 0.000) 1.896 3.065 ( 0.000 0.182 0.000) 0.182 3.072 ( 0.000 2.739 0.000) 2.739 3.090 ( 0.000 11.489 0.000) 11.489 3.105 ( 0.000 11.303 0.000) 11.303 3.225 ( 0.000 2.376 0.000) 2.376 3.243 ( 0.000 8.901 0.000) 8.901 3.269 ( 0.000 10.405 0.000) 10.405 3.281 ( 0.000 15.512 0.000) 15.512 3.307 ( 0.000 8.550 0.000) 8.550 3.422 ( 0.000 -0.475 0.000) 0.475 3.435 ( 0.000 18.750 0.000) 18.750 3.454 ( 0.000 0.744 0.000) 0.744 3.585 ( 0.000 18.904 0.000) 18.904 3.593 ( 0.000 21.542 0.000) 21.542 3.595 ( 0.000 19.507 0.000) 19.507 3.602 ( 0.000 4.907 0.000) 4.907 3.655 ( 0.000 5.886 0.000) 5.886 3.720 ( 0.000 4.658 0.000) 4.658 3.723 ( 0.000 8.052 0.000) 8.052 3.748 ( 0.000 9.632 0.000) 9.632 3.755 ( 0.000 9.315 0.000) 9.315 3.863 ( 0.000 16.217 0.000) 16.217 3.889 ( 0.000 8.263 0.000) 8.263 3.929 ( 0.000 0.683 0.000) 0.683 3.954 ( 0.000 10.985 0.000) 10.985 3.957 ( 0.000 2.824 0.000) 2.824 3.963 ( 0.000 -6.478 0.000) 6.478 3.992 ( 0.000 18.170 0.000) 18.170 4.074 ( 0.000 -0.875 0.000) 0.875 4.173 ( 0.000 -4.611 0.000) 4.611 4.186 ( 0.000 -6.597 0.000) 6.597 4.261 ( 0.000 -7.848 0.000) 7.848 4.406 ( 0.000 -3.696 0.000) 3.696 4.478 ( 0.000 -4.139 0.000) 4.139 4.489 ( 0.000 -3.903 0.000) 3.903 4.509 ( 0.000 -4.034 0.000) 4.034 4.943 ( 0.000 -2.556 0.000) 2.556 4.972 ( 0.000 2.072 0.000) 2.072 4.998 ( 0.000 5.137 0.000) 5.137 5.024 ( 0.000 0.390 0.000) 0.390 5.077 ( 0.000 -0.311 0.000) 0.311 5.102 ( 0.000 -0.654 0.000) 0.654 5.171 ( 0.000 -2.093 0.000) 2.093 5.193 ( 0.000 -1.607 0.000) 1.607 5.558 ( 0.000 -0.159 0.000) 0.159 5.607 ( 0.000 -4.108 0.000) 4.108 5.683 ( 0.000 7.207 0.000) 7.207 5.708 ( 0.000 4.601 0.000) 4.601 5.714 ( 0.000 8.405 0.000) 8.405 5.724 ( 0.000 5.425 0.000) 5.425 5.883 ( 0.000 -0.860 0.000) 0.860 5.951 ( 0.000 1.555 0.000) 1.555 5.954 ( 0.000 1.394 0.000) 1.394 5.960 ( 0.000 2.135 0.000) 2.135 6.045 ( 0.000 1.270 0.000) 1.270 6.095 ( 0.000 3.192 0.000) 3.192 6.096 ( 0.000 1.649 0.000) 1.649 6.130 ( 0.000 -1.320 0.000) 1.320 6.137 ( 0.000 -0.564 0.000) 0.564 6.144 ( 0.000 2.052 0.000) 2.052 6.165 ( 0.000 0.313 0.000) 0.313 6.165 ( 0.000 -0.680 0.000) 0.680 6.190 ( 0.000 0.865 0.000) 0.865 6.232 ( 0.000 -5.310 0.000) 5.310 6.273 ( 0.000 -5.432 0.000) 5.432 6.385 ( 0.000 -0.422 0.000) 0.422 6.401 ( 0.000 0.095 0.000) 0.095 6.420 ( 0.000 -2.850 0.000) 2.850 6.472 ( 0.000 5.130 0.000) 5.130 6.515 ( 0.000 6.054 0.000) 6.054 6.527 ( 0.000 4.772 0.000) 4.772 6.542 ( 0.000 2.893 0.000) 2.893 6.578 ( 0.000 2.294 0.000) 2.294 6.580 ( 0.000 5.811 0.000) 5.811 6.600 ( 0.000 -1.839 0.000) 1.839 6.660 ( 0.000 7.051 0.000) 7.051 6.721 ( 0.000 6.120 0.000) 6.120 6.769 ( 0.000 0.283 0.000) 0.283 6.802 ( 0.000 3.059 0.000) 3.059 6.821 ( 0.000 4.822 0.000) 4.822 6.844 ( 0.000 1.632 0.000) 1.632 6.884 ( 0.000 -0.136 0.000) 0.136 6.895 ( 0.000 7.008 0.000) 7.008 6.973 ( 0.000 6.550 0.000) 6.550 7.040 ( 0.000 -2.480 0.000) 2.480 7.047 ( 0.000 5.432 0.000) 5.432 7.056 ( 0.000 3.667 0.000) 3.667 7.113 ( 0.000 6.027 0.000) 6.027 7.129 ( 0.000 6.058 0.000) 6.058 7.133 ( 0.000 0.257 0.000) 0.257 7.135 ( 0.000 0.257 0.000) 0.257 7.184 ( 0.000 0.176 0.000) 0.176 7.201 ( 0.000 3.995 0.000) 3.995 7.278 ( 0.000 5.936 0.000) 5.936 7.353 ( 0.000 -2.333 0.000) 2.333 7.372 ( 0.000 -1.131 0.000) 1.131 7.390 ( 0.000 -3.561 0.000) 3.561 7.406 ( 0.000 3.953 0.000) 3.953 7.417 ( 0.000 -2.578 0.000) 2.578 7.420 ( 0.000 -5.497 0.000) 5.497 7.513 ( 0.000 7.075 0.000) 7.075 7.526 ( 0.000 5.057 0.000) 5.057 7.566 ( 0.000 -0.794 0.000) 0.794 7.632 ( 0.000 -0.785 0.000) 0.785 7.723 ( 0.000 -6.019 0.000) 6.019 7.756 ( 0.000 -12.645 0.000) 12.645 7.759 ( 0.000 -7.597 0.000) 7.597 7.772 ( 0.000 -2.105 0.000) 2.105 7.775 ( 0.000 -1.569 0.000) 1.569 7.824 ( 0.000 -8.066 0.000) 8.066 7.955 ( 0.000 -10.873 0.000) 10.873 7.974 ( 0.000 -1.746 0.000) 1.746 8.048 ( 0.000 -2.791 0.000) 2.791 8.091 ( 0.000 -1.539 0.000) 1.539 8.115 ( 0.000 -4.919 0.000) 4.919 8.118 ( 0.000 -3.179 0.000) 3.179 8.235 ( 0.000 -11.598 0.000) 11.598 8.238 ( 0.000 -7.909 0.000) 7.909 8.254 ( 0.000 3.675 0.000) 3.675 8.290 ( 0.000 2.757 0.000) 2.757 8.446 ( 0.000 8.048 0.000) 8.048 8.487 ( 0.000 4.119 0.000) 4.119 8.528 ( 0.000 3.545 0.000) 3.545 8.750 ( 0.000 3.502 0.000) 3.502 8.808 ( 0.000 -0.138 0.000) 0.138 8.821 ( 0.000 -6.607 0.000) 6.607 8.867 ( 0.000 -1.590 0.000) 1.590 8.957 ( 0.000 -5.931 0.000) 5.931 9.080 ( 0.000 -3.707 0.000) 3.707 9.083 ( 0.000 -3.539 0.000) 3.539 9.094 ( 0.000 -2.436 0.000) 2.436 9.119 ( 0.000 -0.514 0.000) 0.514 9.294 ( 0.000 -10.537 0.000) 10.537 9.376 ( 0.000 -7.181 0.000) 7.181 9.437 ( 0.000 -9.361 0.000) 9.361 9.478 ( 0.000 -8.186 0.000) 8.186 9.651 ( 0.000 -5.968 0.000) 5.968 9.664 ( 0.000 -6.145 0.000) 6.145 9.730 ( 0.000 -10.348 0.000) 10.348 9.735 ( 0.000 -10.216 0.000) 10.216 ======================= Grid point 10 (8/28) ======================= q-point: ( 0.33 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 2.943 15.779 0.000) 16.052 1.390 ( 2.823 13.856 0.000) 14.140 1.515 ( -0.261 12.241 0.000) 12.244 1.582 ( -4.823 11.052 0.000) 12.058 1.642 ( -3.194 11.517 0.000) 11.952 1.647 ( -4.170 9.754 0.000) 10.608 1.720 ( 4.349 11.426 0.000) 12.226 1.781 ( 4.871 6.626 0.000) 8.224 1.819 ( -0.898 6.666 0.000) 6.726 1.881 ( 6.483 7.191 0.000) 9.682 1.934 ( 4.612 5.868 0.000) 7.463 1.944 ( -0.492 2.572 0.000) 2.618 1.956 ( -2.424 5.811 0.000) 6.296 1.989 ( 2.772 5.424 0.000) 6.091 2.032 ( 0.281 5.208 0.000) 5.215 2.143 ( -3.713 6.048 0.000) 7.097 2.144 ( 3.777 4.381 0.000) 5.785 2.171 ( -8.070 3.433 0.000) 8.770 2.193 ( -4.874 6.853 0.000) 8.409 2.283 ( -2.723 2.509 0.000) 3.703 2.318 ( 0.204 2.352 0.000) 2.361 2.322 ( -1.093 0.452 0.000) 1.182 2.397 ( 6.317 -0.641 0.000) 6.349 2.403 ( 7.369 -0.124 0.000) 7.370 2.492 ( 3.697 5.727 0.000) 6.816 2.508 ( 0.393 2.409 0.000) 2.441 2.565 ( -1.775 9.914 0.000) 10.072 2.581 ( -2.257 2.794 0.000) 3.592 2.588 ( 0.644 6.074 0.000) 6.108 2.597 ( 2.770 7.007 0.000) 7.535 2.634 ( -2.092 8.304 0.000) 8.563 2.679 ( -4.671 2.717 0.000) 5.404 2.755 ( 1.069 5.354 0.000) 5.460 2.769 ( 1.322 11.871 0.000) 11.944 2.779 ( -3.061 2.165 0.000) 3.749 2.804 ( 0.555 1.029 0.000) 1.169 2.840 ( -1.684 7.681 0.000) 7.864 2.854 ( -1.236 12.440 0.000) 12.501 2.944 ( -4.726 7.840 0.000) 9.154 2.954 ( -5.637 11.786 0.000) 13.065 2.980 ( 0.962 11.850 0.000) 11.889 3.043 ( -3.617 10.608 0.000) 11.207 3.115 ( 3.763 0.958 0.000) 3.883 3.158 ( 3.231 11.617 0.000) 12.058 3.220 ( -3.651 8.216 0.000) 8.991 3.248 ( -2.917 13.184 0.000) 13.503 3.269 ( 4.475 4.464 0.000) 6.320 3.340 ( 1.447 16.016 0.000) 16.082 3.387 ( 5.750 -3.214 0.000) 6.587 3.388 ( -1.419 3.184 0.000) 3.486 3.418 ( -1.359 20.263 0.000) 20.309 3.461 ( -0.992 2.722 0.000) 2.897 3.532 ( -1.146 16.220 0.000) 16.261 3.553 ( -2.500 5.485 0.000) 6.028 3.604 ( 2.153 14.612 0.000) 14.770 3.659 ( 2.644 13.258 0.000) 13.519 3.680 ( 0.122 15.048 0.000) 15.049 3.718 ( 0.923 0.368 0.000) 0.994 3.740 ( 0.357 2.483 0.000) 2.509 3.776 ( -2.302 15.594 0.000) 15.763 3.811 ( 4.076 12.500 0.000) 13.147 3.848 ( 2.857 7.708 0.000) 8.220 3.867 ( -1.252 6.929 0.000) 7.042 3.913 ( -2.572 9.941 0.000) 10.268 3.963 ( 1.458 6.585 0.000) 6.744 3.971 ( 1.228 2.472 0.000) 2.760 3.988 ( 0.229 -1.535 0.000) 1.552 3.997 ( -0.305 6.629 0.000) 6.636 4.090 ( 1.687 -0.563 0.000) 1.778 4.134 ( -2.835 -1.764 0.000) 3.339 4.199 ( 1.514 -5.069 0.000) 5.291 4.242 ( -1.927 -6.272 0.000) 6.561 4.421 ( 1.514 -3.714 0.000) 4.011 4.463 ( -2.140 -3.828 0.000) 4.385 4.491 ( 1.006 -4.142 0.000) 4.262 4.508 ( -0.429 -4.187 0.000) 4.209 4.945 ( 0.322 -1.289 0.000) 1.329 4.958 ( -0.908 0.864 0.000) 1.254 4.994 ( -0.140 3.858 0.000) 3.861 5.006 ( -1.222 1.453 0.000) 1.898 5.084 ( 0.676 -0.701 0.000) 0.974 5.097 ( -0.486 -0.921 0.000) 1.042 5.189 ( 1.188 -1.713 0.000) 2.084 5.200 ( 0.229 -1.617 0.000) 1.633 5.571 ( 1.137 -1.329 0.000) 1.749 5.595 ( -1.033 -3.400 0.000) 3.554 5.701 ( 1.312 6.765 0.000) 6.891 5.715 ( 0.241 5.214 0.000) 5.219 5.724 ( 0.523 8.034 0.000) 8.051 5.725 ( 0.077 6.567 0.000) 6.567 5.888 ( 0.742 0.327 0.000) 0.811 5.920 ( -2.166 1.836 0.000) 2.839 5.962 ( 0.619 0.381 0.000) 0.727 5.967 ( 0.393 1.268 0.000) 1.327 6.042 ( -1.045 2.344 0.000) 2.567 6.054 ( -2.895 2.220 0.000) 3.649 6.062 ( -0.151 0.631 0.000) 0.648 6.089 ( -2.151 0.772 0.000) 2.285 6.133 ( -0.131 0.111 0.000) 0.172 6.147 ( -0.975 1.400 0.000) 1.707 6.177 ( 2.012 -1.324 0.000) 2.409 6.199 ( 0.727 -0.892 0.000) 1.151 6.203 ( 1.320 -0.787 0.000) 1.537 6.229 ( -0.853 -2.434 0.000) 2.579 6.289 ( 2.044 -3.092 0.000) 3.707 6.349 ( -2.990 0.111 0.000) 2.992 6.427 ( 2.157 -3.633 0.000) 4.225 6.456 ( 1.354 -4.407 0.000) 4.610 6.475 ( 1.910 6.240 0.000) 6.526 6.522 ( -0.156 4.623 0.000) 4.626 6.536 ( -3.178 4.995 0.000) 5.920 6.539 ( -0.572 3.592 0.000) 3.637 6.553 ( -1.085 3.683 0.000) 3.839 6.558 ( 0.204 3.400 0.000) 3.406 6.625 ( 3.269 4.150 0.000) 5.283 6.664 ( -0.432 6.290 0.000) 6.304 6.740 ( 0.882 2.983 0.000) 3.111 6.741 ( 1.473 3.916 0.000) 4.184 6.782 ( 0.031 5.226 0.000) 5.226 6.800 ( -1.793 2.382 0.000) 2.982 6.853 ( -2.003 2.142 0.000) 2.933 6.873 ( -5.447 6.881 0.000) 8.776 6.950 ( 1.927 5.276 0.000) 5.617 6.958 ( 2.356 0.880 0.000) 2.515 7.050 ( 2.293 2.034 0.000) 3.065 7.071 ( 1.681 1.242 0.000) 2.090 7.078 ( 4.509 -1.531 0.000) 4.762 7.092 ( -0.879 2.742 0.000) 2.879 7.123 ( -1.135 5.945 0.000) 6.052 7.134 ( 1.182 2.897 0.000) 3.129 7.198 ( 0.473 4.225 0.000) 4.251 7.198 ( 0.865 -1.348 0.000) 1.601 7.226 ( 1.516 0.161 0.000) 1.524 7.243 ( -1.730 5.731 0.000) 5.986 7.308 ( -3.091 -2.345 0.000) 3.880 7.325 ( -4.351 -4.804 0.000) 6.482 7.381 ( 1.576 0.655 0.000) 1.707 7.400 ( -0.420 1.337 0.000) 1.401 7.432 ( 0.959 -0.604 0.000) 1.134 7.475 ( -0.731 4.021 0.000) 4.087 7.491 ( 0.677 -2.921 0.000) 2.998 7.519 ( -0.188 0.444 0.000) 0.483 7.575 ( 2.339 -0.261 0.000) 2.354 7.664 ( 2.638 0.142 0.000) 2.642 7.670 ( -5.474 -1.932 0.000) 5.805 7.715 ( -1.960 -1.753 0.000) 2.629 7.728 ( 1.599 -7.200 0.000) 7.375 7.788 ( -2.600 -5.554 0.000) 6.132 7.839 ( 2.921 -9.876 0.000) 10.299 7.847 ( 1.777 -6.100 0.000) 6.353 7.989 ( 4.391 -3.837 0.000) 5.831 8.042 ( 4.769 -6.520 0.000) 8.078 8.048 ( -0.347 -2.688 0.000) 2.710 8.089 ( -0.106 -0.999 0.000) 1.004 8.119 ( -0.903 -2.226 0.000) 2.402 8.125 ( -0.347 -7.011 0.000) 7.019 8.181 ( -3.098 -6.075 0.000) 6.820 8.183 ( -2.604 -9.673 0.000) 10.017 8.241 ( -0.816 2.506 0.000) 2.635 8.263 ( -2.684 1.705 0.000) 3.180 8.462 ( 1.165 6.699 0.000) 6.800 8.480 ( -0.544 4.631 0.000) 4.663 8.590 ( 5.405 0.835 0.000) 5.469 8.730 ( -6.776 -4.368 0.000) 8.062 8.766 ( 0.725 3.114 0.000) 3.197 8.791 ( -1.254 0.701 0.000) 1.436 8.925 ( 4.452 -0.619 0.000) 4.495 8.965 ( 0.459 -3.558 0.000) 3.588 9.033 ( -1.785 -4.548 0.000) 4.886 9.067 ( -4.003 -2.798 0.000) 4.884 9.103 ( 0.226 -2.386 0.000) 2.397 9.105 ( 0.296 -3.259 0.000) 3.273 9.293 ( 0.966 -8.912 0.000) 8.964 9.336 ( -2.770 -7.397 0.000) 7.898 9.465 ( 1.611 -8.955 0.000) 9.099 9.482 ( -0.064 -8.126 0.000) 8.127 9.679 ( 1.154 -7.394 0.000) 7.484 9.679 ( 1.706 -7.761 0.000) 7.946 9.718 ( -0.817 -9.629 0.000) 9.664 9.725 ( -0.945 -9.714 0.000) 9.760 ======================= Grid point 12 (9/28) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 0.000 11.832 0.000) 11.832 1.643 ( 0.000 10.951 0.000) 10.951 1.682 ( 0.000 7.048 0.000) 7.048 1.826 ( 0.000 3.649 0.000) 3.649 1.826 ( 0.000 7.277 0.000) 7.277 1.838 ( 0.000 7.336 0.000) 7.336 1.867 ( 0.000 5.475 0.000) 5.475 1.896 ( 0.000 3.665 0.000) 3.665 1.921 ( 0.000 11.230 0.000) 11.230 1.957 ( 0.000 8.275 0.000) 8.275 1.972 ( 0.000 2.933 0.000) 2.933 2.010 ( 0.000 5.748 0.000) 5.748 2.068 ( 0.000 4.197 0.000) 4.197 2.099 ( 0.000 3.598 0.000) 3.598 2.131 ( 0.000 3.908 0.000) 3.908 2.178 ( 0.000 1.011 0.000) 1.011 2.188 ( 0.000 8.131 0.000) 8.131 2.284 ( 0.000 -0.166 0.000) 0.166 2.311 ( 0.000 -0.742 0.000) 0.742 2.314 ( 0.000 -1.671 0.000) 1.671 2.326 ( 0.000 -1.682 0.000) 1.682 2.348 ( 0.000 3.440 0.000) 3.440 2.450 ( 0.000 5.550 0.000) 5.550 2.483 ( 0.000 -0.831 0.000) 0.831 2.500 ( 0.000 1.505 0.000) 1.505 2.531 ( 0.000 3.380 0.000) 3.380 2.573 ( 0.000 4.196 0.000) 4.196 2.596 ( 0.000 -3.659 0.000) 3.659 2.647 ( 0.000 2.789 0.000) 2.789 2.714 ( 0.000 4.091 0.000) 4.091 2.719 ( 0.000 -2.271 0.000) 2.271 2.732 ( 0.000 3.121 0.000) 3.121 2.756 ( 0.000 -0.726 0.000) 0.726 2.830 ( 0.000 -3.399 0.000) 3.399 2.844 ( 0.000 -4.213 0.000) 4.213 2.885 ( 0.000 -1.915 0.000) 1.915 2.917 ( 0.000 0.414 0.000) 0.414 2.987 ( 0.000 -0.238 0.000) 0.238 3.022 ( 0.000 -2.235 0.000) 2.235 3.033 ( 0.000 2.393 0.000) 2.393 3.068 ( 0.000 -1.419 0.000) 1.419 3.175 ( 0.000 8.676 0.000) 8.676 3.205 ( 0.000 0.601 0.000) 0.601 3.224 ( 0.000 0.481 0.000) 0.481 3.235 ( 0.000 0.447 0.000) 0.447 3.327 ( 0.000 -3.924 0.000) 3.924 3.334 ( 0.000 -3.226 0.000) 3.226 3.354 ( 0.000 0.542 0.000) 0.542 3.416 ( 0.000 -2.343 0.000) 2.343 3.483 ( 0.000 8.141 0.000) 8.141 3.524 ( 0.000 -11.634 0.000) 11.634 3.550 ( 0.000 6.600 0.000) 6.600 3.641 ( 0.000 -4.405 0.000) 4.405 3.693 ( 0.000 -11.171 0.000) 11.171 3.694 ( 0.000 3.982 0.000) 3.982 3.715 ( 0.000 4.767 0.000) 4.767 3.795 ( 0.000 8.675 0.000) 8.675 3.888 ( 0.000 13.798 0.000) 13.798 3.918 ( 0.000 12.769 0.000) 12.769 3.935 ( 0.000 12.847 0.000) 12.847 4.035 ( 0.000 4.172 0.000) 4.172 4.039 ( 0.000 11.688 0.000) 11.688 4.060 ( 0.000 20.567 0.000) 20.567 4.078 ( 0.000 3.033 0.000) 3.033 4.102 ( 0.000 3.368 0.000) 3.368 4.156 ( 0.000 20.018 0.000) 20.018 4.226 ( 0.000 2.069 0.000) 2.069 4.301 ( 0.000 16.637 0.000) 16.637 4.318 ( 0.000 15.952 0.000) 15.952 4.331 ( 0.000 20.171 0.000) 20.171 4.346 ( 0.000 17.252 0.000) 17.252 4.356 ( 0.000 16.318 0.000) 16.318 4.414 ( 0.000 7.961 0.000) 7.961 4.418 ( 0.000 1.072 0.000) 1.072 4.440 ( 0.000 -2.939 0.000) 2.939 4.442 ( 0.000 2.129 0.000) 2.129 4.914 ( 0.000 -0.240 0.000) 0.240 5.018 ( 0.000 2.233 0.000) 2.233 5.029 ( 0.000 -0.042 0.000) 0.042 5.063 ( 0.000 0.658 0.000) 0.658 5.111 ( 0.000 1.597 0.000) 1.597 5.125 ( 0.000 5.611 0.000) 5.611 5.151 ( 0.000 0.128 0.000) 0.128 5.175 ( 0.000 -0.198 0.000) 0.198 5.543 ( 0.000 -1.931 0.000) 1.931 5.563 ( 0.000 0.842 0.000) 0.842 5.756 ( 0.000 0.668 0.000) 0.668 5.782 ( 0.000 2.821 0.000) 2.821 5.804 ( 0.000 2.656 0.000) 2.656 5.858 ( 0.000 6.172 0.000) 6.172 5.903 ( 0.000 3.065 0.000) 3.065 5.971 ( 0.000 -0.668 0.000) 0.668 5.999 ( 0.000 1.299 0.000) 1.299 6.003 ( 0.000 2.937 0.000) 2.937 6.052 ( 0.000 -6.334 0.000) 6.334 6.060 ( 0.000 -0.277 0.000) 0.277 6.083 ( 0.000 -3.399 0.000) 3.399 6.087 ( 0.000 -5.487 0.000) 5.487 6.090 ( 0.000 -0.837 0.000) 0.837 6.123 ( 0.000 -4.431 0.000) 4.431 6.131 ( 0.000 -3.444 0.000) 3.444 6.154 ( 0.000 0.050 0.000) 0.050 6.158 ( 0.000 -3.038 0.000) 3.038 6.160 ( 0.000 0.716 0.000) 0.716 6.250 ( 0.000 2.032 0.000) 2.032 6.328 ( 0.000 -4.693 0.000) 4.693 6.385 ( 0.000 0.136 0.000) 0.136 6.402 ( 0.000 0.593 0.000) 0.593 6.536 ( 0.000 1.195 0.000) 1.195 6.580 ( 0.000 0.989 0.000) 0.989 6.592 ( 0.000 0.272 0.000) 0.272 6.594 ( 0.000 1.659 0.000) 1.659 6.608 ( 0.000 2.927 0.000) 2.927 6.621 ( 0.000 2.472 0.000) 2.472 6.699 ( 0.000 5.856 0.000) 5.856 6.752 ( 0.000 2.639 0.000) 2.639 6.794 ( 0.000 1.749 0.000) 1.749 6.801 ( 0.000 2.149 0.000) 2.149 6.844 ( 0.000 -1.564 0.000) 1.564 6.857 ( 0.000 -0.152 0.000) 0.152 6.869 ( 0.000 2.914 0.000) 2.914 6.896 ( 0.000 0.998 0.000) 0.998 6.975 ( 0.000 -2.999 0.000) 2.999 7.013 ( 0.000 3.382 0.000) 3.382 7.048 ( 0.000 -2.549 0.000) 2.549 7.051 ( 0.000 1.052 0.000) 1.052 7.113 ( 0.000 -3.682 0.000) 3.682 7.121 ( 0.000 1.933 0.000) 1.933 7.129 ( 0.000 -1.612 0.000) 1.612 7.187 ( 0.000 2.658 0.000) 2.658 7.190 ( 0.000 0.277 0.000) 0.277 7.200 ( 0.000 0.051 0.000) 0.051 7.295 ( 0.000 -2.443 0.000) 2.443 7.295 ( 0.000 3.207 0.000) 3.207 7.299 ( 0.000 -4.497 0.000) 4.497 7.362 ( 0.000 -4.108 0.000) 4.108 7.365 ( 0.000 4.091 0.000) 4.091 7.379 ( 0.000 3.183 0.000) 3.183 7.391 ( 0.000 3.304 0.000) 3.304 7.525 ( 0.000 -8.819 0.000) 8.819 7.530 ( 0.000 5.245 0.000) 5.245 7.558 ( 0.000 0.538 0.000) 0.538 7.567 ( 0.000 -7.951 0.000) 7.951 7.573 ( 0.000 -4.163 0.000) 4.163 7.595 ( 0.000 -5.177 0.000) 5.177 7.629 ( 0.000 1.749 0.000) 1.749 7.638 ( 0.000 3.099 0.000) 3.099 7.664 ( 0.000 1.438 0.000) 1.438 7.770 ( 0.000 -0.478 0.000) 0.478 7.809 ( 0.000 -2.985 0.000) 2.985 7.833 ( 0.000 2.101 0.000) 2.101 7.915 ( 0.000 -3.458 0.000) 3.458 7.972 ( 0.000 -6.263 0.000) 6.263 8.025 ( 0.000 -1.266 0.000) 1.266 8.049 ( 0.000 -2.992 0.000) 2.992 8.090 ( 0.000 -3.036 0.000) 3.036 8.126 ( 0.000 1.490 0.000) 1.490 8.129 ( 0.000 -1.793 0.000) 1.793 8.309 ( 0.000 0.809 0.000) 0.809 8.335 ( 0.000 0.856 0.000) 0.856 8.566 ( 0.000 4.050 0.000) 4.050 8.617 ( 0.000 8.674 0.000) 8.674 8.626 ( 0.000 6.152 0.000) 6.152 8.703 ( 0.000 -3.790 0.000) 3.790 8.814 ( 0.000 0.612 0.000) 0.612 8.854 ( 0.000 5.936 0.000) 5.936 8.875 ( 0.000 -2.536 0.000) 2.536 8.877 ( 0.000 1.171 0.000) 1.171 9.038 ( 0.000 -0.526 0.000) 0.526 9.060 ( 0.000 1.187 0.000) 1.187 9.087 ( 0.000 1.211 0.000) 1.211 9.128 ( 0.000 -5.445 0.000) 5.445 9.143 ( 0.000 1.964 0.000) 1.964 9.262 ( 0.000 -4.285 0.000) 4.285 9.288 ( 0.000 -5.554 0.000) 5.554 9.341 ( 0.000 -5.586 0.000) 5.586 9.548 ( 0.000 -4.463 0.000) 4.463 9.553 ( 0.000 -5.057 0.000) 5.057 9.558 ( 0.000 -7.053 0.000) 7.053 9.565 ( 0.000 -7.039 0.000) 7.039 ======================= Grid point 13 (10/28) ======================= q-point: ( 0.33 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.075 10.228 0.000) 10.229 1.641 ( -0.275 10.658 0.000) 10.662 1.708 ( 1.280 7.436 0.000) 7.545 1.748 ( -3.597 5.900 0.000) 6.910 1.822 ( -0.594 7.585 0.000) 7.608 1.828 ( -1.088 7.119 0.000) 7.201 1.899 ( 3.456 5.605 0.000) 6.585 1.911 ( 1.444 7.309 0.000) 7.450 1.941 ( -1.070 5.419 0.000) 5.523 1.974 ( -1.345 2.822 0.000) 3.126 2.016 ( 2.347 3.288 0.000) 4.040 2.031 ( 2.672 3.855 0.000) 4.691 2.067 ( 0.612 7.860 0.000) 7.884 2.095 ( 2.498 3.754 0.000) 4.509 2.156 ( 2.326 7.971 0.000) 8.303 2.186 ( -0.632 1.514 0.000) 1.641 2.221 ( 1.219 3.920 0.000) 4.105 2.279 ( -4.706 3.447 0.000) 5.834 2.310 ( -5.566 3.956 0.000) 6.828 2.311 ( -1.769 -0.768 0.000) 1.928 2.330 ( 2.257 0.738 0.000) 2.374 2.351 ( -0.097 2.274 0.000) 2.276 2.373 ( 3.077 -2.806 0.000) 4.165 2.374 ( 0.618 0.925 0.000) 1.112 2.513 ( 1.188 0.039 0.000) 1.189 2.550 ( -0.495 2.036 0.000) 2.095 2.573 ( -1.649 -1.695 0.000) 2.365 2.636 ( -8.119 -2.440 0.000) 8.477 2.688 ( 0.108 2.392 0.000) 2.394 2.700 ( 2.288 2.995 0.000) 3.769 2.711 ( -0.201 3.623 0.000) 3.629 2.745 ( -4.690 1.213 0.000) 4.844 2.770 ( 3.572 -0.986 0.000) 3.705 2.786 ( 6.644 0.999 0.000) 6.719 2.822 ( 6.921 -0.559 0.000) 6.944 2.855 ( -4.332 -0.262 0.000) 4.340 2.960 ( -2.728 3.618 0.000) 4.531 2.992 ( -2.794 1.872 0.000) 3.363 3.054 ( 1.217 -3.591 0.000) 3.792 3.056 ( -0.932 -0.002 0.000) 0.932 3.086 ( 3.619 0.950 0.000) 3.742 3.146 ( -0.929 1.164 0.000) 1.489 3.190 ( 3.704 4.490 0.000) 5.820 3.242 ( 2.917 -0.738 0.000) 3.009 3.264 ( -1.927 1.148 0.000) 2.243 3.315 ( -3.078 0.200 0.000) 3.085 3.334 ( 0.037 -4.886 0.000) 4.886 3.342 ( -0.873 -2.312 0.000) 2.472 3.404 ( 1.755 -10.446 0.000) 10.593 3.464 ( -4.016 -3.783 0.000) 5.517 3.479 ( -0.406 7.923 0.000) 7.933 3.517 ( -2.866 -2.010 0.000) 3.500 3.648 ( 0.404 -1.290 0.000) 1.351 3.662 ( -1.429 0.716 0.000) 1.598 3.706 ( 0.974 -4.799 0.000) 4.896 3.718 ( 0.033 1.652 0.000) 1.653 3.804 ( 0.804 10.318 0.000) 10.349 3.838 ( -2.772 12.755 0.000) 13.052 3.922 ( 0.027 13.507 0.000) 13.507 3.923 ( 0.090 13.640 0.000) 13.640 4.025 ( -0.319 8.862 0.000) 8.868 4.028 ( -0.663 7.260 0.000) 7.290 4.132 ( 4.617 7.220 0.000) 8.570 4.150 ( 2.406 2.854 0.000) 3.733 4.162 ( 4.502 10.083 0.000) 11.042 4.205 ( 4.358 20.845 0.000) 21.296 4.231 ( -0.723 8.190 0.000) 8.222 4.276 ( -2.304 17.609 0.000) 17.759 4.311 ( -0.915 17.706 0.000) 17.730 4.313 ( -1.642 19.285 0.000) 19.355 4.335 ( -0.584 15.740 0.000) 15.751 4.336 ( -0.790 16.219 0.000) 16.239 4.406 ( -0.283 6.392 0.000) 6.398 4.423 ( -1.501 3.609 0.000) 3.909 4.429 ( 0.668 -0.066 0.000) 0.671 4.438 ( -0.245 -2.435 0.000) 2.447 4.934 ( 1.845 0.221 0.000) 1.858 4.982 ( -2.558 1.354 0.000) 2.894 5.033 ( 0.696 0.897 0.000) 1.135 5.065 ( -1.653 2.247 0.000) 2.789 5.091 ( -0.288 1.710 0.000) 1.734 5.100 ( -0.688 1.121 0.000) 1.316 5.177 ( 1.054 0.894 0.000) 1.382 5.184 ( 0.364 0.135 0.000) 0.388 5.546 ( 0.351 -1.276 0.000) 1.324 5.556 ( -0.541 0.037 0.000) 0.543 5.773 ( 1.102 1.255 0.000) 1.671 5.785 ( -0.053 2.157 0.000) 2.158 5.825 ( 1.956 3.350 0.000) 3.879 5.858 ( -0.501 5.482 0.000) 5.504 5.933 ( 2.348 3.919 0.000) 4.569 5.972 ( -0.664 1.402 0.000) 1.551 5.993 ( -0.437 1.304 0.000) 1.375 5.994 ( -0.425 3.124 0.000) 3.153 6.028 ( -1.638 -2.471 0.000) 2.964 6.030 ( -1.342 -5.431 0.000) 5.594 6.060 ( -0.716 -1.150 0.000) 1.355 6.061 ( -1.165 -1.973 0.000) 2.291 6.100 ( -0.422 -5.584 0.000) 5.600 6.103 ( -0.645 -6.773 0.000) 6.804 6.146 ( 1.111 0.753 0.000) 1.343 6.166 ( 0.221 1.203 0.000) 1.223 6.176 ( 0.949 -1.398 0.000) 1.689 6.185 ( 0.956 -2.018 0.000) 2.233 6.283 ( 3.147 0.361 0.000) 3.167 6.349 ( -2.053 -2.155 0.000) 2.976 6.351 ( 1.444 -4.156 0.000) 4.400 6.385 ( -2.769 1.079 0.000) 2.972 6.524 ( 1.278 0.109 0.000) 1.283 6.554 ( -1.401 0.332 0.000) 1.439 6.595 ( -0.221 1.690 0.000) 1.705 6.597 ( -0.319 2.324 0.000) 2.345 6.641 ( 1.920 3.924 0.000) 4.368 6.677 ( -1.640 5.996 0.000) 6.216 6.679 ( 4.081 1.086 0.000) 4.223 6.748 ( -1.645 1.928 0.000) 2.534 6.792 ( 0.493 1.610 0.000) 1.684 6.793 ( 0.506 2.077 0.000) 2.138 6.844 ( -1.657 0.635 0.000) 1.775 6.846 ( -0.788 2.503 0.000) 2.624 6.895 ( 1.694 2.513 0.000) 3.031 6.916 ( 0.557 -2.715 0.000) 2.772 6.972 ( -1.409 0.896 0.000) 1.670 7.001 ( 0.672 -2.229 0.000) 2.328 7.039 ( 2.204 -0.508 0.000) 2.261 7.055 ( -0.440 -1.960 0.000) 2.008 7.078 ( -0.810 0.134 0.000) 0.822 7.117 ( -0.106 -0.092 0.000) 0.141 7.146 ( 1.681 -3.665 0.000) 4.032 7.154 ( -1.945 -0.275 0.000) 1.964 7.197 ( -2.846 -0.708 0.000) 2.932 7.222 ( -3.314 -3.273 0.000) 4.658 7.243 ( 2.330 2.001 0.000) 3.071 7.291 ( -1.680 0.552 0.000) 1.768 7.316 ( 0.689 4.177 0.000) 4.234 7.341 ( 1.101 -2.845 0.000) 3.050 7.356 ( -1.623 2.966 0.000) 3.381 7.364 ( -0.816 -2.829 0.000) 2.944 7.429 ( 3.174 3.350 0.000) 4.615 7.507 ( -4.070 1.127 0.000) 4.223 7.525 ( 0.288 -2.205 0.000) 2.224 7.530 ( -0.226 0.791 0.000) 0.822 7.566 ( 1.124 0.142 0.000) 1.133 7.591 ( -0.692 -4.066 0.000) 4.124 7.594 ( 1.318 -4.611 0.000) 4.795 7.614 ( -0.893 -2.936 0.000) 3.069 7.672 ( 2.128 1.579 0.000) 2.650 7.730 ( 5.868 -0.768 0.000) 5.918 7.733 ( -3.158 -0.410 0.000) 3.185 7.829 ( -2.286 1.306 0.000) 2.633 7.900 ( 5.335 -4.467 0.000) 6.958 7.939 ( 3.287 -3.505 0.000) 4.805 7.960 ( -1.240 -6.690 0.000) 6.804 8.013 ( -1.779 -2.120 0.000) 2.768 8.056 ( -1.436 -2.107 0.000) 2.549 8.073 ( -3.492 -0.364 0.000) 3.511 8.106 ( 4.475 -0.232 0.000) 4.481 8.154 ( 1.392 1.618 0.000) 2.134 8.286 ( -1.930 0.728 0.000) 2.063 8.295 ( -3.387 0.164 0.000) 3.391 8.573 ( 1.018 4.711 0.000) 4.820 8.602 ( -1.366 6.921 0.000) 7.054 8.641 ( 1.459 4.064 0.000) 4.318 8.681 ( -1.969 -0.511 0.000) 2.034 8.816 ( 1.074 1.498 0.000) 1.843 8.843 ( -1.065 3.689 0.000) 3.840 8.920 ( 3.061 -1.039 0.000) 3.232 8.930 ( 4.659 1.000 0.000) 4.765 8.986 ( -3.295 -0.035 0.000) 3.295 9.037 ( -4.721 -0.624 0.000) 4.762 9.087 ( 1.156 1.269 0.000) 1.717 9.109 ( -1.383 2.683 0.000) 3.018 9.160 ( 2.383 -4.411 0.000) 5.013 9.219 ( -3.111 -4.238 0.000) 5.257 9.320 ( 1.961 -5.517 0.000) 5.855 9.345 ( -0.340 -5.603 0.000) 5.613 9.548 ( 0.048 -5.801 0.000) 5.801 9.550 ( -0.174 -5.753 0.000) 5.756 9.565 ( 0.419 -5.866 0.000) 5.880 9.568 ( 0.102 -6.173 0.000) 6.173 ======================= Grid point 15 (11/28) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 0.000 6.046 0.000) 6.046 1.804 ( 0.000 5.455 0.000) 5.455 1.809 ( 0.000 5.794 0.000) 5.794 1.857 ( 0.000 0.697 0.000) 0.697 1.921 ( 0.000 3.219 0.000) 3.219 1.923 ( 0.000 2.371 0.000) 2.371 1.968 ( 0.000 2.937 0.000) 2.937 1.983 ( 0.000 5.640 0.000) 5.640 1.992 ( 0.000 -0.154 0.000) 0.154 2.064 ( 0.000 2.019 0.000) 2.019 2.106 ( 0.000 4.540 0.000) 4.540 2.106 ( 0.000 5.596 0.000) 5.596 2.117 ( 0.000 -1.827 0.000) 1.827 2.118 ( 0.000 1.251 0.000) 1.251 2.208 ( 0.000 1.666 0.000) 1.666 2.250 ( 0.000 1.525 0.000) 1.525 2.264 ( 0.000 -3.099 0.000) 3.099 2.274 ( 0.000 -0.147 0.000) 0.147 2.278 ( 0.000 -0.825 0.000) 0.825 2.286 ( 0.000 -1.748 0.000) 1.748 2.296 ( 0.000 5.211 0.000) 5.211 2.415 ( 0.000 1.900 0.000) 1.900 2.474 ( 0.000 3.817 0.000) 3.817 2.528 ( 0.000 2.459 0.000) 2.459 2.554 ( 0.000 4.682 0.000) 4.682 2.564 ( 0.000 -0.866 0.000) 0.866 2.597 ( 0.000 3.301 0.000) 3.301 2.630 ( 0.000 1.406 0.000) 1.406 2.650 ( 0.000 -0.455 0.000) 0.455 2.669 ( 0.000 -1.708 0.000) 1.708 2.747 ( 0.000 -2.552 0.000) 2.552 2.755 ( 0.000 0.658 0.000) 0.658 2.763 ( 0.000 -1.794 0.000) 1.794 2.766 ( 0.000 1.104 0.000) 1.104 2.797 ( 0.000 0.412 0.000) 0.412 2.804 ( 0.000 -4.454 0.000) 4.454 2.865 ( 0.000 -4.136 0.000) 4.136 2.953 ( 0.000 -3.130 0.000) 3.130 2.972 ( 0.000 -3.260 0.000) 3.260 3.015 ( 0.000 -3.481 0.000) 3.481 3.040 ( 0.000 -0.714 0.000) 0.714 3.131 ( 0.000 -5.625 0.000) 5.625 3.135 ( 0.000 -6.259 0.000) 6.259 3.169 ( 0.000 -5.270 0.000) 5.270 3.212 ( 0.000 -7.454 0.000) 7.454 3.214 ( 0.000 -9.319 0.000) 9.319 3.274 ( 0.000 -6.170 0.000) 6.170 3.287 ( 0.000 -7.622 0.000) 7.622 3.356 ( 0.000 2.472 0.000) 2.472 3.463 ( 0.000 4.887 0.000) 4.887 3.477 ( 0.000 -2.342 0.000) 2.342 3.559 ( 0.000 -1.656 0.000) 1.656 3.635 ( 0.000 6.171 0.000) 6.171 3.737 ( 0.000 1.147 0.000) 1.147 3.772 ( 0.000 6.583 0.000) 6.583 3.786 ( 0.000 3.923 0.000) 3.923 3.949 ( 0.000 6.292 0.000) 6.292 4.051 ( 0.000 2.744 0.000) 2.744 4.113 ( 0.000 4.449 0.000) 4.449 4.120 ( 0.000 5.306 0.000) 5.306 4.128 ( 0.000 9.314 0.000) 9.314 4.169 ( 0.000 5.981 0.000) 5.981 4.217 ( 0.000 5.743 0.000) 5.743 4.231 ( 0.000 0.887 0.000) 0.887 4.268 ( 0.000 8.850 0.000) 8.850 4.314 ( 0.000 3.647 0.000) 3.647 4.351 ( 0.000 0.146 0.000) 0.146 4.387 ( 0.000 -1.496 0.000) 1.496 4.483 ( 0.000 9.976 0.000) 9.976 4.548 ( 0.000 16.100 0.000) 16.100 4.584 ( 0.000 9.970 0.000) 9.970 4.595 ( 0.000 10.599 0.000) 10.599 4.633 ( 0.000 11.598 0.000) 11.598 4.667 ( 0.000 12.410 0.000) 12.410 4.699 ( 0.000 12.132 0.000) 12.132 4.703 ( 0.000 13.628 0.000) 13.628 4.937 ( 0.000 2.609 0.000) 2.609 5.023 ( 0.000 -0.467 0.000) 0.467 5.044 ( 0.000 0.496 0.000) 0.496 5.075 ( 0.000 0.603 0.000) 0.603 5.152 ( 0.000 2.243 0.000) 2.243 5.179 ( 0.000 2.508 0.000) 2.508 5.182 ( 0.000 0.653 0.000) 0.653 5.218 ( 0.000 3.203 0.000) 3.203 5.554 ( 0.000 3.369 0.000) 3.369 5.599 ( 0.000 3.147 0.000) 3.147 5.754 ( 0.000 -0.658 0.000) 0.658 5.811 ( 0.000 -2.182 0.000) 2.182 5.822 ( 0.000 1.841 0.000) 1.841 5.905 ( 0.000 -7.285 0.000) 7.285 5.909 ( 0.000 -4.291 0.000) 4.291 5.946 ( 0.000 -6.701 0.000) 6.701 5.946 ( 0.000 -0.391 0.000) 0.391 5.962 ( 0.000 0.397 0.000) 0.397 5.979 ( 0.000 1.351 0.000) 1.351 6.011 ( 0.000 -3.649 0.000) 3.649 6.029 ( 0.000 -1.475 0.000) 1.475 6.033 ( 0.000 -2.950 0.000) 2.950 6.093 ( 0.000 -0.079 0.000) 0.079 6.096 ( 0.000 0.984 0.000) 0.984 6.101 ( 0.000 2.978 0.000) 2.978 6.140 ( 0.000 1.180 0.000) 1.180 6.149 ( 0.000 -0.823 0.000) 0.823 6.190 ( 0.000 1.828 0.000) 1.828 6.267 ( 0.000 -1.560 0.000) 1.560 6.279 ( 0.000 0.721 0.000) 0.721 6.398 ( 0.000 -0.558 0.000) 0.558 6.398 ( 0.000 0.841 0.000) 0.841 6.539 ( 0.000 -0.690 0.000) 0.690 6.574 ( 0.000 -1.004 0.000) 1.004 6.587 ( 0.000 -2.071 0.000) 2.071 6.589 ( 0.000 -0.723 0.000) 0.723 6.649 ( 0.000 1.378 0.000) 1.378 6.666 ( 0.000 1.586 0.000) 1.586 6.788 ( 0.000 2.560 0.000) 2.560 6.794 ( 0.000 1.963 0.000) 1.963 6.806 ( 0.000 -1.834 0.000) 1.834 6.810 ( 0.000 -0.683 0.000) 0.683 6.813 ( 0.000 0.350 0.000) 0.350 6.836 ( 0.000 -1.433 0.000) 1.433 6.905 ( 0.000 1.062 0.000) 1.062 6.908 ( 0.000 0.006 0.000) 0.006 6.937 ( 0.000 -0.164 0.000) 0.164 6.945 ( 0.000 -6.680 0.000) 6.680 7.025 ( 0.000 -3.750 0.000) 3.750 7.033 ( 0.000 -1.401 0.000) 1.401 7.036 ( 0.000 -0.781 0.000) 0.781 7.097 ( 0.000 -3.032 0.000) 3.032 7.152 ( 0.000 2.487 0.000) 2.487 7.155 ( 0.000 -2.339 0.000) 2.339 7.193 ( 0.000 -3.021 0.000) 3.021 7.234 ( 0.000 1.757 0.000) 1.757 7.248 ( 0.000 1.785 0.000) 1.785 7.256 ( 0.000 -5.430 0.000) 5.430 7.268 ( 0.000 -3.769 0.000) 3.769 7.320 ( 0.000 2.028 0.000) 2.028 7.399 ( 0.000 -0.090 0.000) 0.090 7.419 ( 0.000 -4.932 0.000) 4.932 7.431 ( 0.000 2.428 0.000) 2.428 7.458 ( 0.000 2.786 0.000) 2.786 7.482 ( 0.000 1.558 0.000) 1.558 7.532 ( 0.000 -0.642 0.000) 0.642 7.568 ( 0.000 0.820 0.000) 0.820 7.594 ( 0.000 0.540 0.000) 0.540 7.606 ( 0.000 4.224 0.000) 4.224 7.666 ( 0.000 1.650 0.000) 1.650 7.682 ( 0.000 2.957 0.000) 2.957 7.729 ( 0.000 2.495 0.000) 2.495 7.739 ( 0.000 -1.173 0.000) 1.173 7.815 ( 0.000 1.664 0.000) 1.664 7.862 ( 0.000 0.990 0.000) 0.990 7.868 ( 0.000 -4.339 0.000) 4.339 7.893 ( 0.000 0.882 0.000) 0.882 8.006 ( 0.000 -1.732 0.000) 1.732 8.008 ( 0.000 0.662 0.000) 0.662 8.079 ( 0.000 1.338 0.000) 1.338 8.143 ( 0.000 -0.030 0.000) 0.030 8.149 ( 0.000 2.341 0.000) 2.341 8.286 ( 0.000 -2.843 0.000) 2.843 8.311 ( 0.000 -2.937 0.000) 2.937 8.638 ( 0.000 3.144 0.000) 3.144 8.674 ( 0.000 0.199 0.000) 0.199 8.746 ( 0.000 5.668 0.000) 5.668 8.766 ( 0.000 6.271 0.000) 6.271 8.829 ( 0.000 0.774 0.000) 0.774 8.848 ( 0.000 -0.429 0.000) 0.429 8.907 ( 0.000 1.859 0.000) 1.859 8.942 ( 0.000 2.615 0.000) 2.615 9.058 ( 0.000 2.262 0.000) 2.262 9.062 ( 0.000 -1.177 0.000) 1.177 9.102 ( 0.000 -0.426 0.000) 0.426 9.104 ( 0.000 2.230 0.000) 2.230 9.202 ( 0.000 3.249 0.000) 3.249 9.216 ( 0.000 -0.315 0.000) 0.315 9.237 ( 0.000 0.296 0.000) 0.296 9.267 ( 0.000 -1.951 0.000) 1.951 9.458 ( 0.000 -3.260 0.000) 3.260 9.462 ( 0.000 -3.558 0.000) 3.558 9.472 ( 0.000 -3.218 0.000) 3.218 9.479 ( 0.000 -2.743 0.000) 2.743 ======================= Grid point 16 (12/28) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -0.243 6.393 0.000) 6.397 1.798 ( -1.034 5.573 0.000) 5.668 1.819 ( 0.711 4.420 0.000) 4.477 1.833 ( -0.974 3.266 0.000) 3.408 1.920 ( -0.051 2.976 0.000) 2.976 1.925 ( -0.266 3.261 0.000) 3.272 1.980 ( 0.805 1.592 0.000) 1.784 1.989 ( -0.021 1.344 0.000) 1.344 2.010 ( 1.845 3.766 0.000) 4.194 2.054 ( -2.005 1.100 0.000) 2.287 2.080 ( 0.010 4.355 0.000) 4.355 2.089 ( -0.708 3.267 0.000) 3.343 2.137 ( 0.849 0.984 0.000) 1.300 2.142 ( 0.641 -0.913 0.000) 1.115 2.241 ( 1.966 -0.950 0.000) 2.184 2.252 ( 0.491 -0.277 0.000) 0.563 2.272 ( 0.485 -1.990 0.000) 2.048 2.276 ( -0.016 -1.397 0.000) 1.397 2.283 ( 0.273 -0.107 0.000) 0.293 2.290 ( 0.797 -1.968 0.000) 2.123 2.338 ( 2.637 4.851 0.000) 5.521 2.377 ( -2.346 5.556 0.000) 6.031 2.457 ( -0.340 6.497 0.000) 6.506 2.486 ( -3.408 6.663 0.000) 7.484 2.530 ( 0.304 1.921 0.000) 1.945 2.557 ( -1.830 -1.495 0.000) 2.363 2.571 ( 0.025 2.163 0.000) 2.163 2.611 ( -3.809 1.586 0.000) 4.126 2.698 ( 1.740 -0.703 0.000) 1.876 2.715 ( 1.355 -1.045 0.000) 1.711 2.732 ( 0.247 -0.299 0.000) 0.387 2.752 ( 1.137 -0.661 0.000) 1.315 2.765 ( 0.000 1.482 0.000) 1.482 2.789 ( 2.662 -1.821 0.000) 3.225 2.796 ( 3.913 -1.219 0.000) 4.099 2.838 ( -1.265 -1.565 0.000) 2.012 2.944 ( 5.685 -5.726 0.000) 8.069 2.957 ( -1.574 -3.722 0.000) 4.041 2.992 ( -1.406 -0.205 0.000) 1.421 2.993 ( -0.771 -3.985 0.000) 4.059 3.064 ( 3.121 -1.902 0.000) 3.655 3.108 ( -0.336 -7.728 0.000) 7.735 3.124 ( 1.431 -2.639 0.000) 3.002 3.161 ( -1.079 -7.319 0.000) 7.398 3.183 ( -1.565 -9.543 0.000) 9.671 3.213 ( -0.955 -8.054 0.000) 8.111 3.225 ( -3.532 -6.994 0.000) 7.835 3.245 ( -4.803 -9.676 0.000) 10.802 3.365 ( 2.200 4.760 0.000) 5.244 3.413 ( -2.597 5.302 0.000) 5.904 3.486 ( 0.742 -1.492 0.000) 1.666 3.527 ( -3.176 -0.905 0.000) 3.302 3.691 ( 4.208 5.157 0.000) 6.656 3.735 ( 0.259 2.375 0.000) 2.390 3.742 ( -1.663 5.651 0.000) 5.891 3.772 ( -2.064 3.753 0.000) 4.283 3.963 ( 1.443 5.977 0.000) 6.149 4.015 ( -3.840 6.069 0.000) 7.181 4.075 ( 1.758 2.326 0.000) 2.915 4.106 ( -1.216 3.988 0.000) 4.169 4.194 ( 1.120 8.139 0.000) 8.216 4.207 ( -0.486 8.001 0.000) 8.016 4.208 ( 3.034 6.120 0.000) 6.831 4.241 ( -0.060 4.544 0.000) 4.544 4.296 ( 1.828 3.228 0.000) 3.710 4.321 ( -0.239 1.012 0.000) 1.040 4.360 ( 0.823 -0.581 0.000) 1.007 4.377 ( -0.702 -1.184 0.000) 1.377 4.514 ( 3.124 11.972 0.000) 12.373 4.581 ( 1.553 12.992 0.000) 13.085 4.581 ( -2.103 11.647 0.000) 11.835 4.606 ( -1.591 11.697 0.000) 11.805 4.614 ( 3.054 13.367 0.000) 13.711 4.661 ( -0.873 13.337 0.000) 13.365 4.697 ( -0.320 13.704 0.000) 13.708 4.699 ( -0.182 12.975 0.000) 12.976 4.954 ( 1.807 1.810 0.000) 2.558 5.007 ( -2.792 1.187 0.000) 3.034 5.036 ( 1.449 -0.556 0.000) 1.552 5.074 ( -1.156 -0.441 0.000) 1.237 5.133 ( -0.806 2.074 0.000) 2.225 5.141 ( -1.997 2.933 0.000) 3.548 5.200 ( 0.918 0.962 0.000) 1.330 5.214 ( -0.534 1.814 0.000) 1.890 5.561 ( 0.771 3.083 0.000) 3.177 5.583 ( -1.212 2.896 0.000) 3.139 5.783 ( 2.002 -0.083 0.000) 2.003 5.813 ( -0.931 0.643 0.000) 1.132 5.834 ( 2.289 -3.105 0.000) 3.858 5.886 ( -1.889 -6.086 0.000) 6.372 5.933 ( -0.379 -2.771 0.000) 2.796 5.935 ( 1.398 -0.737 0.000) 1.580 5.941 ( -0.115 -3.589 0.000) 3.591 5.966 ( 1.147 -3.861 0.000) 4.027 5.988 ( -2.109 -3.658 0.000) 4.223 5.994 ( -1.516 -3.901 0.000) 4.185 6.024 ( 2.634 2.759 0.000) 3.814 6.054 ( 1.050 1.968 0.000) 2.231 6.069 ( -1.860 1.710 0.000) 2.527 6.083 ( -1.430 3.700 0.000) 3.966 6.146 ( 3.601 -0.992 0.000) 3.735 6.156 ( 0.835 -0.739 0.000) 1.115 6.157 ( 0.744 -0.256 0.000) 0.787 6.195 ( -0.433 1.184 0.000) 1.261 6.266 ( 1.034 -0.829 0.000) 1.326 6.318 ( 2.868 -0.613 0.000) 2.933 6.320 ( -3.791 -0.690 0.000) 3.853 6.395 ( -3.933 -0.353 0.000) 3.948 6.517 ( 1.116 -0.353 0.000) 1.170 6.548 ( -1.581 -0.538 0.000) 1.670 6.603 ( 0.672 -0.899 0.000) 1.122 6.611 ( 0.202 -1.398 0.000) 1.413 6.687 ( 3.403 1.110 0.000) 3.580 6.700 ( 3.201 1.687 0.000) 3.619 6.761 ( -3.010 1.160 0.000) 3.226 6.770 ( -2.679 2.366 0.000) 3.574 6.802 ( 0.057 -0.419 0.000) 0.423 6.806 ( -0.419 -0.549 0.000) 0.690 6.837 ( 0.463 -0.721 0.000) 0.857 6.851 ( 2.200 -2.787 0.000) 3.551 6.891 ( -0.271 0.769 0.000) 0.815 6.927 ( 0.800 -0.971 0.000) 1.258 6.938 ( 0.290 -3.196 0.000) 3.209 6.942 ( 0.271 -0.266 0.000) 0.380 7.005 ( -1.094 -1.793 0.000) 2.100 7.019 ( -2.516 -1.476 0.000) 2.917 7.043 ( -1.696 -3.418 0.000) 3.816 7.049 ( 0.168 -4.403 0.000) 4.406 7.140 ( -0.100 1.309 0.000) 1.313 7.147 ( -0.762 -0.982 0.000) 1.243 7.178 ( -1.181 -1.872 0.000) 2.213 7.182 ( -2.738 -1.392 0.000) 3.071 7.240 ( 0.321 -0.068 0.000) 0.328 7.255 ( -0.576 -2.235 0.000) 2.308 7.289 ( 1.030 -2.188 0.000) 2.418 7.306 ( -0.978 -1.829 0.000) 2.074 7.391 ( 0.899 1.593 0.000) 1.829 7.415 ( -1.338 2.710 0.000) 3.023 7.478 ( 2.489 -2.344 0.000) 3.419 7.491 ( 1.833 0.204 0.000) 1.844 7.501 ( 1.651 3.087 0.000) 3.501 7.545 ( -1.889 2.056 0.000) 2.792 7.550 ( 1.697 -0.106 0.000) 1.700 7.601 ( -1.001 2.915 0.000) 3.082 7.611 ( 1.351 2.628 0.000) 2.955 7.627 ( -1.988 1.003 0.000) 2.227 7.705 ( -1.413 0.928 0.000) 1.690 7.717 ( -1.970 -1.271 0.000) 2.345 7.745 ( 5.761 1.871 0.000) 6.057 7.846 ( -1.742 0.592 0.000) 1.840 7.855 ( -0.528 0.046 0.000) 0.530 7.864 ( -0.374 -3.102 0.000) 3.124 7.926 ( 4.615 1.627 0.000) 4.893 7.997 ( -1.527 1.073 0.000) 1.866 8.051 ( 1.543 0.735 0.000) 1.709 8.100 ( -3.597 2.179 0.000) 4.206 8.102 ( 5.093 -0.215 0.000) 5.097 8.177 ( 1.943 0.241 0.000) 1.958 8.259 ( -4.240 -3.476 0.000) 5.483 8.264 ( -2.166 -2.739 0.000) 3.492 8.655 ( 2.036 3.482 0.000) 4.034 8.697 ( 1.443 1.513 0.000) 2.091 8.715 ( -3.388 4.325 0.000) 5.494 8.725 ( -1.433 3.842 0.000) 4.100 8.852 ( 2.546 2.351 0.000) 3.466 8.896 ( -1.313 2.199 0.000) 2.561 8.916 ( 3.552 0.362 0.000) 3.570 8.951 ( 0.521 0.802 0.000) 0.956 9.022 ( -1.933 2.869 0.000) 3.460 9.035 ( -2.255 0.538 0.000) 2.318 9.104 ( 0.467 -1.699 0.000) 1.762 9.115 ( 0.008 0.030 0.000) 0.031 9.187 ( -0.550 4.111 0.000) 4.147 9.191 ( -1.194 1.855 0.000) 2.207 9.261 ( 1.230 -0.695 0.000) 1.413 9.274 ( -0.006 -1.661 0.000) 1.661 9.459 ( 0.134 -3.067 0.000) 3.070 9.461 ( -0.045 -3.195 0.000) 3.195 9.479 ( 0.410 -3.267 0.000) 3.293 9.482 ( 0.131 -3.006 0.000) 3.009 ======================= Grid point 18 (13/28) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 0.000 0.808 0.000) 0.808 1.874 ( 0.000 1.216 0.000) 1.216 1.888 ( 0.000 2.696 0.000) 2.696 1.889 ( 0.000 2.646 0.000) 2.646 1.962 ( 0.000 1.848 0.000) 1.848 1.967 ( 0.000 1.895 0.000) 1.895 1.984 ( 0.000 -0.523 0.000) 0.523 1.998 ( 0.000 -0.277 0.000) 0.277 2.057 ( 0.000 2.404 0.000) 2.404 2.062 ( 0.000 -0.441 0.000) 0.441 2.067 ( 0.000 -1.792 0.000) 1.792 2.116 ( 0.000 -2.701 0.000) 2.701 2.159 ( 0.000 -1.400 0.000) 1.400 2.166 ( 0.000 0.778 0.000) 0.778 2.195 ( 0.000 2.988 0.000) 2.988 2.229 ( 0.000 0.423 0.000) 0.423 2.230 ( 0.000 -1.813 0.000) 1.813 2.230 ( 0.000 -2.340 0.000) 2.340 2.243 ( 0.000 -1.261 0.000) 1.261 2.271 ( 0.000 -1.668 0.000) 1.668 2.463 ( 0.000 7.314 0.000) 7.314 2.489 ( 0.000 5.739 0.000) 5.739 2.526 ( 0.000 -1.604 0.000) 1.604 2.572 ( 0.000 -0.533 0.000) 0.533 2.580 ( 0.000 5.028 0.000) 5.028 2.592 ( 0.000 1.149 0.000) 1.149 2.644 ( 0.000 -0.575 0.000) 0.575 2.660 ( 0.000 -0.816 0.000) 0.816 2.671 ( 0.000 2.871 0.000) 2.871 2.689 ( 0.000 -1.295 0.000) 1.295 2.690 ( 0.000 1.509 0.000) 1.509 2.708 ( 0.000 -3.722 0.000) 3.722 2.741 ( 0.000 -0.172 0.000) 0.172 2.764 ( 0.000 1.394 0.000) 1.394 2.789 ( 0.000 -3.834 0.000) 3.834 2.809 ( 0.000 0.357 0.000) 0.357 2.811 ( 0.000 2.259 0.000) 2.259 2.891 ( 0.000 -1.395 0.000) 1.395 2.892 ( 0.000 -4.618 0.000) 4.618 2.929 ( 0.000 -4.380 0.000) 4.380 3.044 ( 0.000 0.508 0.000) 0.508 3.058 ( 0.000 -4.291 0.000) 4.291 3.067 ( 0.000 -0.211 0.000) 0.211 3.071 ( 0.000 -2.246 0.000) 2.246 3.071 ( 0.000 -0.659 0.000) 0.659 3.099 ( 0.000 -3.570 0.000) 3.570 3.131 ( 0.000 -6.470 0.000) 6.470 3.132 ( 0.000 -6.283 0.000) 6.283 3.426 ( 0.000 2.750 0.000) 2.750 3.459 ( 0.000 -0.762 0.000) 0.762 3.539 ( 0.000 2.531 0.000) 2.531 3.560 ( 0.000 0.110 0.000) 0.110 3.718 ( 0.000 2.592 0.000) 2.592 3.745 ( 0.000 -0.364 0.000) 0.364 3.846 ( 0.000 1.810 0.000) 1.810 3.849 ( 0.000 1.640 0.000) 1.640 4.040 ( 0.000 3.184 0.000) 3.184 4.075 ( 0.000 -0.294 0.000) 0.294 4.177 ( 0.000 1.880 0.000) 1.880 4.182 ( 0.000 1.423 0.000) 1.423 4.241 ( 0.000 0.710 0.000) 0.710 4.241 ( 0.000 2.378 0.000) 2.378 4.245 ( 0.000 1.576 0.000) 1.576 4.254 ( 0.000 -0.395 0.000) 0.395 4.352 ( 0.000 1.541 0.000) 1.541 4.368 ( 0.000 -0.391 0.000) 0.391 4.393 ( 0.000 3.088 0.000) 3.088 4.395 ( 0.000 2.367 0.000) 2.367 4.652 ( 0.000 5.729 0.000) 5.729 4.694 ( 0.000 1.553 0.000) 1.553 4.748 ( 0.000 4.786 0.000) 4.786 4.772 ( 0.000 2.682 0.000) 2.682 4.775 ( 0.000 7.291 0.000) 7.291 4.835 ( 0.000 1.614 0.000) 1.614 4.837 ( 0.000 5.252 0.000) 5.252 4.867 ( 0.000 2.923 0.000) 2.923 4.996 ( 0.000 2.432 0.000) 2.432 5.016 ( 0.000 -0.193 0.000) 0.193 5.057 ( 0.000 1.295 0.000) 1.295 5.080 ( 0.000 -0.405 0.000) 0.405 5.186 ( 0.000 1.019 0.000) 1.019 5.192 ( 0.000 0.244 0.000) 0.244 5.228 ( 0.000 2.021 0.000) 2.021 5.248 ( 0.000 0.101 0.000) 0.101 5.660 ( 0.000 6.594 0.000) 6.594 5.687 ( 0.000 5.635 0.000) 5.635 5.738 ( 0.000 -0.497 0.000) 0.497 5.756 ( 0.000 -2.334 0.000) 2.334 5.776 ( 0.000 -5.311 0.000) 5.311 5.812 ( 0.000 -6.829 0.000) 6.829 5.823 ( 0.000 -2.303 0.000) 2.303 5.840 ( 0.000 -2.338 0.000) 2.338 5.923 ( 0.000 0.340 0.000) 0.340 5.953 ( 0.000 0.466 0.000) 0.466 5.963 ( 0.000 -1.023 0.000) 1.023 5.969 ( 0.000 -2.875 0.000) 2.875 6.029 ( 0.000 1.210 0.000) 1.210 6.035 ( 0.000 0.610 0.000) 0.610 6.110 ( 0.000 1.131 0.000) 1.131 6.113 ( 0.000 0.609 0.000) 0.609 6.121 ( 0.000 -0.096 0.000) 0.096 6.130 ( 0.000 -0.980 0.000) 0.980 6.190 ( 0.000 2.573 0.000) 2.573 6.214 ( 0.000 0.215 0.000) 0.215 6.259 ( 0.000 0.512 0.000) 0.512 6.276 ( 0.000 -0.864 0.000) 0.864 6.399 ( 0.000 0.761 0.000) 0.761 6.410 ( 0.000 0.126 0.000) 0.126 6.519 ( 0.000 -0.714 0.000) 0.714 6.537 ( 0.000 -2.368 0.000) 2.368 6.561 ( 0.000 -0.093 0.000) 0.093 6.570 ( 0.000 -0.917 0.000) 0.917 6.667 ( 0.000 0.630 0.000) 0.630 6.677 ( 0.000 -0.255 0.000) 0.255 6.788 ( 0.000 0.241 0.000) 0.241 6.789 ( 0.000 -0.619 0.000) 0.619 6.792 ( 0.000 -0.767 0.000) 0.767 6.816 ( 0.000 -1.344 0.000) 1.344 6.825 ( 0.000 0.941 0.000) 0.941 6.832 ( 0.000 0.109 0.000) 0.109 6.848 ( 0.000 -1.061 0.000) 1.061 6.879 ( 0.000 -2.437 0.000) 2.437 6.929 ( 0.000 1.766 0.000) 1.766 6.953 ( 0.000 0.523 0.000) 0.523 6.999 ( 0.000 0.445 0.000) 0.445 7.011 ( 0.000 -0.621 0.000) 0.621 7.013 ( 0.000 -0.796 0.000) 0.796 7.040 ( 0.000 -2.623 0.000) 2.623 7.126 ( 0.000 -0.559 0.000) 0.559 7.137 ( 0.000 -1.789 0.000) 1.789 7.172 ( 0.000 -0.452 0.000) 0.452 7.181 ( 0.000 -1.976 0.000) 1.976 7.238 ( 0.000 0.803 0.000) 0.803 7.252 ( 0.000 -0.055 0.000) 0.055 7.291 ( 0.000 1.669 0.000) 1.669 7.317 ( 0.000 -1.328 0.000) 1.328 7.394 ( 0.000 0.718 0.000) 0.718 7.399 ( 0.000 0.128 0.000) 0.128 7.471 ( 0.000 1.595 0.000) 1.595 7.488 ( 0.000 0.171 0.000) 0.171 7.507 ( 0.000 0.943 0.000) 0.943 7.521 ( 0.000 -0.625 0.000) 0.625 7.574 ( 0.000 -0.123 0.000) 0.123 7.581 ( 0.000 -0.969 0.000) 0.969 7.684 ( 0.000 2.879 0.000) 2.879 7.699 ( 0.000 1.203 0.000) 1.203 7.729 ( 0.000 1.426 0.000) 1.426 7.736 ( 0.000 0.375 0.000) 0.375 7.760 ( 0.000 1.225 0.000) 1.225 7.799 ( 0.000 -2.839 0.000) 2.839 7.849 ( 0.000 1.596 0.000) 1.596 7.870 ( 0.000 -0.391 0.000) 0.391 7.926 ( 0.000 2.306 0.000) 2.306 7.971 ( 0.000 -2.056 0.000) 2.056 8.053 ( 0.000 3.377 0.000) 3.377 8.117 ( 0.000 -2.639 0.000) 2.639 8.131 ( 0.000 3.677 0.000) 3.677 8.195 ( 0.000 2.362 0.000) 2.362 8.212 ( 0.000 -4.358 0.000) 4.358 8.247 ( 0.000 -3.093 0.000) 3.093 8.681 ( 0.000 1.132 0.000) 1.132 8.685 ( 0.000 0.460 0.000) 0.460 8.824 ( 0.000 1.828 0.000) 1.828 8.837 ( 0.000 0.071 0.000) 0.071 8.851 ( 0.000 2.073 0.000) 2.073 8.855 ( 0.000 0.980 0.000) 0.980 8.943 ( 0.000 1.636 0.000) 1.636 8.963 ( 0.000 -0.176 0.000) 0.176 9.063 ( 0.000 0.803 0.000) 0.803 9.083 ( 0.000 -1.119 0.000) 1.119 9.100 ( 0.000 1.682 0.000) 1.682 9.121 ( 0.000 -0.326 0.000) 0.326 9.237 ( 0.000 1.579 0.000) 1.579 9.252 ( 0.000 1.587 0.000) 1.587 9.253 ( 0.000 -0.180 0.000) 0.180 9.259 ( 0.000 0.852 0.000) 0.852 9.422 ( 0.000 -0.751 0.000) 0.751 9.425 ( 0.000 -0.321 0.000) 0.321 9.428 ( 0.000 -1.291 0.000) 1.291 9.438 ( 0.000 -1.480 0.000) 1.480 ======================= Grid point 19 (14/28) ======================= q-point: ( 0.33 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 0.073 1.931 0.000) 1.932 1.877 ( 0.161 1.026 0.000) 1.038 1.878 ( -0.706 2.735 0.000) 2.825 1.884 ( -0.450 1.947 0.000) 1.998 1.965 ( 0.255 1.874 0.000) 1.891 1.968 ( 0.013 1.803 0.000) 1.803 1.989 ( 0.427 -0.584 0.000) 0.724 1.996 ( -0.205 -0.318 0.000) 0.378 2.061 ( 0.097 0.203 0.000) 0.225 2.061 ( 0.178 1.576 0.000) 1.586 2.078 ( 0.800 -1.913 0.000) 2.073 2.101 ( -1.310 -1.910 0.000) 2.317 2.158 ( 0.442 0.681 0.000) 0.811 2.177 ( 0.981 -2.060 0.000) 2.282 2.177 ( -1.272 2.295 0.000) 2.624 2.204 ( -1.421 -1.977 0.000) 2.435 2.235 ( 0.502 -0.778 0.000) 0.926 2.241 ( 0.079 -0.389 0.000) 0.397 2.259 ( 1.007 -1.839 0.000) 2.097 2.272 ( -0.162 -1.943 0.000) 1.950 2.476 ( 0.948 6.178 0.000) 6.250 2.490 ( -0.221 5.792 0.000) 5.796 2.532 ( 0.974 0.478 0.000) 1.085 2.563 ( -1.412 0.583 0.000) 1.527 2.590 ( 1.540 4.731 0.000) 4.975 2.607 ( 1.021 1.645 0.000) 1.936 2.626 ( -0.808 2.180 0.000) 2.325 2.633 ( -2.304 1.199 0.000) 2.598 2.691 ( 2.046 0.807 0.000) 2.200 2.705 ( 1.243 -0.530 0.000) 1.351 2.712 ( 2.035 -1.299 0.000) 2.414 2.749 ( -1.385 0.633 0.000) 1.523 2.752 ( 1.227 -0.986 0.000) 1.574 2.760 ( 1.241 -1.786 0.000) 2.175 2.780 ( -0.746 -3.047 0.000) 3.137 2.789 ( -1.489 -0.879 0.000) 1.729 2.859 ( 3.670 -0.767 0.000) 3.749 2.894 ( 0.362 -1.262 0.000) 1.312 2.934 ( 3.604 -6.474 0.000) 7.410 2.935 ( 0.751 -3.135 0.000) 3.224 3.006 ( -3.042 -0.016 0.000) 3.042 3.039 ( -2.420 -2.442 0.000) 3.438 3.054 ( -0.130 -0.648 0.000) 0.661 3.060 ( 0.094 -3.769 0.000) 3.770 3.072 ( -2.352 -3.647 0.000) 4.340 3.080 ( -0.499 -1.541 0.000) 1.620 3.098 ( -1.414 -3.840 0.000) 4.092 3.112 ( -1.696 -4.821 0.000) 5.111 3.439 ( 1.652 2.658 0.000) 3.129 3.471 ( 1.322 -0.812 0.000) 1.551 3.491 ( -3.154 2.684 0.000) 4.142 3.521 ( -3.155 -0.503 0.000) 3.195 3.760 ( 3.299 1.826 0.000) 3.771 3.768 ( 1.980 0.821 0.000) 2.143 3.816 ( -2.390 2.121 0.000) 3.196 3.826 ( -2.479 1.192 0.000) 2.751 4.049 ( 1.266 2.993 0.000) 3.250 4.085 ( 1.379 -0.781 0.000) 1.585 4.100 ( -3.724 2.910 0.000) 4.726 4.132 ( -3.039 -0.382 0.000) 3.063 4.272 ( 2.200 0.887 0.000) 2.372 4.281 ( 1.829 0.237 0.000) 1.845 4.293 ( 1.467 1.766 0.000) 2.296 4.294 ( 1.446 1.855 0.000) 2.352 4.347 ( 0.575 1.907 0.000) 1.991 4.364 ( 0.283 -0.039 0.000) 0.286 4.379 ( -1.348 2.864 0.000) 3.165 4.386 ( -1.015 1.909 0.000) 2.162 4.692 ( 3.079 5.543 0.000) 6.340 4.723 ( 1.920 2.525 0.000) 3.172 4.743 ( -1.079 4.678 0.000) 4.801 4.756 ( -1.460 3.480 0.000) 3.774 4.817 ( 3.058 6.566 0.000) 7.243 4.841 ( 0.365 5.327 0.000) 5.339 4.858 ( 1.329 2.966 0.000) 3.250 4.867 ( 0.069 3.345 0.000) 3.346 4.994 ( 0.436 1.776 0.000) 1.828 5.017 ( 0.863 -1.018 0.000) 1.335 5.031 ( -2.377 1.530 0.000) 2.827 5.060 ( -2.129 -1.064 0.000) 2.380 5.175 ( -0.077 2.111 0.000) 2.112 5.196 ( -2.059 2.489 0.000) 3.231 5.205 ( 0.722 -0.650 0.000) 0.972 5.227 ( -1.480 -0.515 0.000) 1.567 5.654 ( -0.184 5.606 0.000) 5.609 5.663 ( -1.123 4.726 0.000) 4.858 5.747 ( -0.288 -4.124 0.000) 4.134 5.756 ( -1.119 -5.044 0.000) 5.166 5.782 ( 2.716 0.350 0.000) 2.739 5.817 ( -0.649 -0.814 0.000) 1.041 5.840 ( 1.887 -5.126 0.000) 5.462 5.856 ( 0.618 -4.039 0.000) 4.086 5.930 ( 0.361 0.543 0.000) 0.652 5.944 ( -0.680 -0.140 0.000) 0.694 5.949 ( -0.937 -0.408 0.000) 1.022 5.954 ( -1.111 -1.049 0.000) 1.528 6.070 ( 2.608 1.613 0.000) 3.066 6.083 ( 3.329 0.419 0.000) 3.355 6.101 ( -0.899 1.407 0.000) 1.670 6.120 ( -0.433 -0.122 0.000) 0.450 6.135 ( 2.974 -0.098 0.000) 2.975 6.140 ( 1.156 -0.672 0.000) 1.338 6.175 ( -1.627 1.862 0.000) 2.473 6.202 ( -1.778 -0.588 0.000) 1.872 6.271 ( 1.375 1.067 0.000) 1.740 6.298 ( 2.202 -1.433 0.000) 2.628 6.328 ( -4.146 1.608 0.000) 4.447 6.370 ( -4.262 -2.112 0.000) 4.756 6.524 ( 1.254 1.264 0.000) 1.780 6.548 ( -0.960 0.660 0.000) 1.165 6.564 ( 1.000 -2.640 0.000) 2.823 6.573 ( -0.003 -1.752 0.000) 1.752 6.706 ( 3.012 0.686 0.000) 3.090 6.716 ( 3.933 -0.111 0.000) 3.935 6.767 ( -2.120 0.171 0.000) 2.127 6.780 ( -1.277 -1.168 0.000) 1.731 6.793 ( 0.194 0.223 0.000) 0.295 6.808 ( -1.385 1.441 0.000) 1.998 6.819 ( 0.297 -1.692 0.000) 1.718 6.832 ( -0.720 -0.653 0.000) 0.972 6.862 ( 1.702 -0.095 0.000) 1.705 6.897 ( 2.142 -2.580 0.000) 3.353 6.912 ( -2.297 1.413 0.000) 2.697 6.966 ( 0.614 -1.071 0.000) 1.234 6.972 ( -3.242 -1.235 0.000) 3.470 6.991 ( -0.811 0.567 0.000) 0.989 6.994 ( -1.555 -1.188 0.000) 1.957 7.006 ( -1.047 -0.881 0.000) 1.368 7.130 ( 0.433 -0.467 0.000) 0.637 7.138 ( 0.150 -1.353 0.000) 1.361 7.145 ( -0.992 -0.408 0.000) 1.072 7.149 ( -1.662 -1.190 0.000) 2.044 7.247 ( 0.261 0.776 0.000) 0.818 7.260 ( -1.501 1.150 0.000) 1.891 7.263 ( 0.415 -0.822 0.000) 0.921 7.278 ( -1.532 -0.934 0.000) 1.794 7.419 ( 1.526 1.308 0.000) 2.010 7.446 ( 2.340 -1.402 0.000) 2.728 7.452 ( -1.660 1.524 0.000) 2.253 7.481 ( -1.162 -1.271 0.000) 1.722 7.550 ( 2.981 1.562 0.000) 3.366 7.560 ( 4.010 0.442 0.000) 4.034 7.579 ( 0.152 1.653 0.000) 1.660 7.612 ( 1.732 -1.422 0.000) 2.241 7.659 ( -0.717 2.263 0.000) 2.374 7.667 ( -3.663 2.469 0.000) 4.417 7.697 ( -2.045 -1.477 0.000) 2.523 7.698 ( -2.383 -0.837 0.000) 2.526 7.792 ( 3.859 2.381 0.000) 4.535 7.827 ( 1.936 -1.357 0.000) 2.364 7.861 ( -1.095 0.774 0.000) 1.341 7.866 ( -2.165 0.321 0.000) 2.188 7.979 ( 5.292 3.384 0.000) 6.281 8.040 ( 5.969 -2.348 0.000) 6.414 8.051 ( -0.755 4.136 0.000) 4.205 8.125 ( 0.126 2.816 0.000) 2.818 8.132 ( -1.596 -1.740 0.000) 2.361 8.156 ( -0.361 -0.006 0.000) 0.361 8.192 ( -4.758 -2.459 0.000) 5.355 8.195 ( -1.676 -3.963 0.000) 4.303 8.705 ( 2.468 1.628 0.000) 2.956 8.718 ( 2.467 0.296 0.000) 2.485 8.769 ( -3.475 1.414 0.000) 3.751 8.773 ( -2.830 1.028 0.000) 3.011 8.900 ( 2.566 2.091 0.000) 3.309 8.922 ( 2.923 -0.155 0.000) 2.927 8.935 ( -0.895 1.728 0.000) 1.946 8.956 ( -0.681 -0.346 0.000) 0.764 9.054 ( -0.421 1.169 0.000) 1.242 9.071 ( -1.938 1.933 0.000) 2.737 9.077 ( 0.103 -1.160 0.000) 1.165 9.099 ( -1.736 -1.114 0.000) 2.063 9.242 ( 0.486 2.173 0.000) 2.227 9.250 ( -0.195 2.055 0.000) 2.064 9.263 ( 0.454 -0.203 0.000) 0.497 9.265 ( 0.268 0.285 0.000) 0.391 9.426 ( 0.250 -0.562 0.000) 0.615 9.427 ( 0.119 -0.363 0.000) 0.382 9.435 ( 0.439 -1.376 0.000) 1.445 9.439 ( 0.010 -1.457 0.000) 1.457 ======================= Grid point 39 (15/28) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 14 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 0.000 0.000 -23.469) 23.469 0.591 ( 0.000 0.000 23.469) 23.469 0.634 ( 0.000 0.000 -25.354) 25.354 0.634 ( 0.000 0.000 25.354) 25.354 1.024 ( 0.000 0.000 -39.362) 39.362 1.024 ( 0.000 0.000 39.362) 39.362 1.258 ( 0.000 0.000 -3.063) 3.063 1.258 ( 0.000 0.000 3.063) 3.063 1.357 ( 0.000 0.000 -3.767) 3.767 1.357 ( 0.000 0.000 3.767) 3.767 1.519 ( 0.000 0.000 -1.613) 1.613 1.519 ( 0.000 0.000 1.613) 1.613 1.564 ( 0.000 0.000 -3.701) 3.701 1.564 ( 0.000 0.000 3.701) 3.701 1.594 ( 0.000 0.000 -10.750) 10.750 1.594 ( 0.000 0.000 10.750) 10.750 1.684 ( 0.000 0.000 -1.921) 1.921 1.684 ( 0.000 0.000 1.921) 1.921 1.853 ( 0.000 0.000 -9.852) 9.852 1.853 ( 0.000 0.000 9.852) 9.852 1.941 ( 0.000 0.000 -3.120) 3.120 1.941 ( 0.000 0.000 3.120) 3.120 2.003 ( 0.000 0.000 -9.648) 9.648 2.003 ( 0.000 0.000 9.648) 9.648 2.021 ( 0.000 0.000 -1.210) 1.210 2.021 ( 0.000 0.000 1.210) 1.210 2.108 ( 0.000 0.000 -1.607) 1.607 2.108 ( 0.000 0.000 1.607) 1.607 2.200 ( 0.000 0.000 -1.119) 1.119 2.200 ( 0.000 0.000 1.119) 1.119 2.214 ( 0.000 0.000 -3.011) 3.011 2.214 ( 0.000 0.000 3.011) 3.011 2.245 ( 0.000 0.000 -3.353) 3.353 2.245 ( 0.000 0.000 3.353) 3.353 2.282 ( 0.000 0.000 -3.548) 3.548 2.282 ( 0.000 0.000 3.548) 3.548 2.318 ( 0.000 0.000 -4.026) 4.026 2.318 ( 0.000 0.000 4.026) 4.026 2.468 ( 0.000 0.000 -1.190) 1.190 2.468 ( 0.000 0.000 1.190) 1.190 2.719 ( 0.000 0.000 -1.349) 1.349 2.719 ( 0.000 0.000 1.349) 1.349 2.730 ( 0.000 0.000 -1.015) 1.015 2.730 ( 0.000 0.000 1.015) 1.015 2.804 ( 0.000 0.000 -10.731) 10.731 2.804 ( 0.000 0.000 10.731) 10.731 2.852 ( 0.000 0.000 -0.042) 0.042 2.852 ( 0.000 0.000 0.042) 0.042 2.905 ( 0.000 0.000 -0.081) 0.081 2.905 ( 0.000 0.000 0.081) 0.081 3.000 ( 0.000 0.000 -21.002) 21.002 3.000 ( 0.000 0.000 21.002) 21.002 3.119 ( 0.000 0.000 -5.521) 5.521 3.119 ( 0.000 0.000 5.521) 5.521 3.358 ( 0.000 0.000 -13.242) 13.242 3.358 ( 0.000 0.000 13.242) 13.242 3.482 ( 0.000 0.000 -3.330) 3.330 3.482 ( 0.000 0.000 3.330) 3.330 3.718 ( 0.000 0.000 -3.491) 3.491 3.718 ( 0.000 0.000 3.491) 3.491 3.760 ( 0.000 0.000 -1.635) 1.635 3.760 ( 0.000 0.000 1.635) 1.635 3.893 ( 0.000 0.000 -1.166) 1.166 3.893 ( 0.000 0.000 1.166) 1.166 4.163 ( 0.000 0.000 -7.000) 7.000 4.163 ( 0.000 0.000 7.000) 7.000 4.278 ( 0.000 0.000 -4.907) 4.907 4.278 ( 0.000 0.000 4.907) 4.907 4.436 ( 0.000 0.000 -2.960) 2.960 4.436 ( 0.000 0.000 2.960) 2.960 4.601 ( 0.000 0.000 -0.553) 0.553 4.601 ( 0.000 0.000 0.553) 0.553 4.695 ( 0.000 0.000 -0.393) 0.393 4.695 ( 0.000 0.000 0.393) 0.393 4.780 ( 0.000 0.000 -2.036) 2.036 4.780 ( 0.000 0.000 2.036) 2.036 4.938 ( 0.000 0.000 -3.009) 3.009 4.938 ( 0.000 0.000 3.009) 3.009 5.102 ( 0.000 0.000 -1.095) 1.095 5.102 ( 0.000 0.000 1.095) 1.095 5.211 ( 0.000 0.000 -0.895) 0.895 5.211 ( 0.000 0.000 0.895) 0.895 5.281 ( 0.000 0.000 -0.190) 0.190 5.281 ( 0.000 0.000 0.190) 0.190 5.380 ( 0.000 0.000 -5.116) 5.116 5.380 ( 0.000 0.000 5.116) 5.116 5.381 ( 0.000 0.000 -0.542) 0.542 5.381 ( 0.000 0.000 0.542) 0.542 5.563 ( 0.000 0.000 -0.193) 0.193 5.563 ( 0.000 0.000 0.193) 0.193 5.657 ( 0.000 0.000 -1.717) 1.717 5.657 ( 0.000 0.000 1.717) 1.717 5.790 ( 0.000 0.000 -10.332) 10.332 5.790 ( 0.000 0.000 10.332) 10.332 5.859 ( 0.000 0.000 -0.244) 0.244 5.859 ( 0.000 0.000 0.244) 0.244 5.880 ( 0.000 0.000 -0.461) 0.461 5.880 ( 0.000 0.000 0.461) 0.461 6.004 ( 0.000 0.000 -1.301) 1.301 6.004 ( 0.000 0.000 1.301) 1.301 6.052 ( 0.000 0.000 -0.976) 0.976 6.052 ( 0.000 0.000 0.976) 0.976 6.155 ( 0.000 0.000 -4.203) 4.203 6.155 ( 0.000 0.000 4.203) 4.203 6.186 ( 0.000 0.000 -1.750) 1.750 6.186 ( 0.000 0.000 1.750) 1.750 6.285 ( 0.000 0.000 -2.546) 2.546 6.285 ( 0.000 0.000 2.546) 2.546 6.335 ( 0.000 0.000 -8.767) 8.767 6.335 ( 0.000 0.000 8.767) 8.767 6.357 ( 0.000 0.000 -3.311) 3.311 6.357 ( 0.000 0.000 3.311) 3.311 6.450 ( 0.000 0.000 -5.478) 5.478 6.450 ( 0.000 0.000 5.478) 5.478 6.491 ( 0.000 0.000 -0.114) 0.114 6.491 ( 0.000 0.000 0.114) 0.114 6.552 ( 0.000 0.000 -0.138) 0.138 6.552 ( 0.000 0.000 0.138) 0.138 6.712 ( 0.000 0.000 -0.165) 0.165 6.712 ( 0.000 0.000 0.165) 0.165 6.733 ( 0.000 0.000 -2.566) 2.566 6.733 ( 0.000 0.000 2.566) 2.566 6.842 ( 0.000 0.000 -1.590) 1.590 6.842 ( 0.000 0.000 1.590) 1.590 6.880 ( 0.000 0.000 -0.414) 0.414 6.880 ( 0.000 0.000 0.414) 0.414 6.933 ( 0.000 0.000 -0.845) 0.845 6.933 ( 0.000 0.000 0.845) 0.845 7.014 ( 0.000 0.000 -6.135) 6.135 7.014 ( 0.000 0.000 6.135) 6.135 7.077 ( 0.000 0.000 -3.899) 3.899 7.077 ( 0.000 0.000 3.899) 3.899 7.248 ( 0.000 0.000 -0.649) 0.649 7.248 ( 0.000 0.000 0.649) 0.649 7.257 ( 0.000 0.000 -1.072) 1.072 7.257 ( 0.000 0.000 1.072) 1.072 7.346 ( 0.000 0.000 -1.302) 1.302 7.346 ( 0.000 0.000 1.302) 1.302 7.470 ( 0.000 0.000 -0.154) 0.154 7.470 ( 0.000 0.000 0.154) 0.154 7.513 ( 0.000 0.000 -2.407) 2.407 7.513 ( 0.000 0.000 2.407) 2.407 7.626 ( 0.000 0.000 -0.055) 0.055 7.626 ( 0.000 0.000 0.055) 0.055 7.717 ( 0.000 0.000 -3.819) 3.819 7.717 ( 0.000 0.000 3.819) 3.819 7.846 ( 0.000 0.000 -2.052) 2.052 7.846 ( 0.000 0.000 2.052) 2.052 8.032 ( 0.000 0.000 -0.006) 0.006 8.032 ( 0.000 0.000 0.006) 0.006 8.084 ( 0.000 0.000 -0.004) 0.004 8.084 ( 0.000 0.000 0.004) 0.004 8.121 ( 0.000 0.000 -0.419) 0.419 8.121 ( 0.000 0.000 0.419) 0.419 8.154 ( 0.000 0.000 -7.524) 7.524 8.154 ( 0.000 0.000 7.524) 7.524 8.299 ( 0.000 0.000 -1.461) 1.461 8.299 ( 0.000 0.000 1.461) 1.461 8.466 ( 0.000 0.000 -0.508) 0.508 8.466 ( 0.000 0.000 0.508) 0.508 8.507 ( 0.000 0.000 -3.116) 3.116 8.507 ( 0.000 0.000 3.116) 3.116 8.718 ( 0.000 0.000 -10.847) 10.847 8.718 ( 0.000 0.000 10.847) 10.847 9.010 ( 0.000 0.000 -0.695) 0.695 9.010 ( 0.000 0.000 0.695) 0.695 9.269 ( 0.000 0.000 -1.308) 1.308 9.269 ( 0.000 0.000 1.308) 1.308 9.310 ( 0.000 0.000 -0.306) 0.306 9.310 ( 0.000 0.000 0.306) 0.306 9.390 ( 0.000 0.000 -1.726) 1.726 9.390 ( 0.000 0.000 1.726) 1.726 9.741 ( 0.000 0.000 -3.272) 3.272 9.741 ( 0.000 0.000 3.272) 3.272 9.907 ( 0.000 0.000 -0.602) 0.602 9.907 ( 0.000 0.000 0.602) 0.602 9.962 ( 0.000 0.000 -3.110) 3.110 9.962 ( 0.000 0.000 3.110) 3.110 10.228 ( 0.000 0.000 -1.086) 1.086 10.228 ( 0.000 0.000 1.086) 1.086 ======================= Grid point 41 (16/28) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 11.562 0.000 -17.718) 21.157 0.705 ( 11.562 0.000 17.718) 21.157 0.809 ( 14.678 0.000 -18.283) 23.446 0.809 ( 14.678 0.000 18.283) 23.446 1.009 ( -15.967 0.000 -4.713) 16.648 1.009 ( -15.967 0.000 4.713) 16.648 1.148 ( -16.021 0.000 -9.433) 18.591 1.148 ( -16.021 0.000 9.433) 18.591 1.389 ( 25.649 0.000 -21.215) 33.286 1.389 ( 25.649 0.000 21.215) 33.286 1.536 ( -0.352 0.000 -3.946) 3.962 1.536 ( -0.352 0.000 3.946) 3.962 1.541 ( 1.703 0.000 -8.308) 8.480 1.541 ( 1.703 0.000 8.308) 8.480 1.740 ( 7.312 0.000 -6.664) 9.893 1.740 ( 7.312 0.000 6.664) 9.893 1.809 ( 4.946 0.000 -2.749) 5.658 1.809 ( 4.946 0.000 2.749) 5.658 1.864 ( 3.544 0.000 -5.193) 6.288 1.864 ( 3.544 0.000 5.193) 6.288 1.946 ( 1.445 0.000 -3.669) 3.944 1.946 ( 1.445 0.000 3.669) 3.944 2.000 ( -2.160 0.000 -1.843) 2.840 2.000 ( -2.160 0.000 1.843) 2.840 2.008 ( -5.855 0.000 -5.844) 8.272 2.008 ( -5.855 0.000 5.844) 8.272 2.110 ( 0.065 0.000 -0.736) 0.738 2.110 ( 0.065 0.000 0.736) 0.738 2.147 ( -11.550 0.000 -5.825) 12.935 2.147 ( -11.550 0.000 5.825) 12.935 2.198 ( -0.089 0.000 -0.916) 0.920 2.198 ( -0.089 0.000 0.916) 0.920 2.231 ( -9.261 0.000 -1.491) 9.380 2.231 ( -9.261 0.000 1.491) 9.380 2.254 ( -6.308 0.000 -2.523) 6.794 2.254 ( -6.308 0.000 2.523) 6.794 2.322 ( 3.521 0.000 -2.841) 4.525 2.322 ( 3.521 0.000 2.841) 4.525 2.423 ( -3.802 0.000 -1.486) 4.082 2.423 ( -3.802 0.000 1.486) 4.082 2.454 ( 8.863 0.000 -2.811) 9.298 2.454 ( 8.863 0.000 2.811) 9.298 2.714 ( -0.176 0.000 -0.359) 0.399 2.714 ( -0.176 0.000 0.359) 0.399 2.728 ( -12.742 0.000 -3.836) 13.307 2.728 ( -12.742 0.000 3.836) 13.307 2.739 ( 0.424 0.000 -0.188) 0.463 2.739 ( 0.424 0.000 0.188) 0.463 3.003 ( 1.670 0.000 -12.676) 12.785 3.003 ( 1.670 0.000 12.676) 12.785 3.119 ( 3.556 0.000 -1.534) 3.873 3.119 ( 3.556 0.000 1.534) 3.873 3.155 ( -3.809 0.000 -7.522) 8.432 3.155 ( -3.809 0.000 7.522) 8.432 3.262 ( -5.601 0.000 -12.578) 13.769 3.262 ( -5.601 0.000 12.578) 13.769 3.491 ( 9.986 0.000 -7.110) 12.258 3.491 ( 9.986 0.000 7.110) 12.258 3.696 ( -2.434 0.000 -0.734) 2.543 3.696 ( -2.434 0.000 0.734) 2.543 3.898 ( 1.207 0.000 -1.764) 2.137 3.898 ( 1.207 0.000 1.764) 2.137 4.039 ( 12.556 0.000 -1.357) 12.629 4.039 ( 12.556 0.000 1.357) 12.629 4.196 ( 1.694 0.000 -4.694) 4.991 4.196 ( 1.694 0.000 4.694) 4.991 4.312 ( -0.428 0.000 -1.619) 1.675 4.312 ( -0.428 0.000 1.619) 1.675 4.383 ( 0.880 0.000 -2.481) 2.633 4.383 ( 0.880 0.000 2.481) 2.633 4.563 ( -6.142 0.000 -2.032) 6.470 4.563 ( -6.142 0.000 2.032) 6.470 4.649 ( -1.106 0.000 -0.698) 1.308 4.649 ( -1.106 0.000 0.698) 1.308 4.731 ( -2.462 0.000 -0.777) 2.581 4.731 ( -2.462 0.000 0.777) 2.581 4.970 ( 2.683 0.000 -1.067) 2.888 4.970 ( 2.683 0.000 1.067) 2.888 5.047 ( -3.232 0.000 -1.160) 3.434 5.047 ( -3.232 0.000 1.160) 3.434 5.302 ( 1.932 0.000 -0.133) 1.936 5.302 ( 1.932 0.000 0.133) 1.936 5.325 ( 4.525 0.000 -4.529) 6.402 5.325 ( 4.525 0.000 4.529) 6.402 5.350 ( -2.446 0.000 -0.203) 2.454 5.350 ( -2.446 0.000 0.203) 2.454 5.389 ( 1.147 0.000 -8.464) 8.541 5.389 ( 1.147 0.000 8.464) 8.541 5.585 ( 1.495 0.000 -0.647) 1.629 5.585 ( 1.495 0.000 0.647) 1.629 5.642 ( -1.136 0.000 -1.300) 1.726 5.642 ( -1.136 0.000 1.300) 1.726 5.734 ( -3.950 0.000 -7.839) 8.778 5.734 ( -3.950 0.000 7.839) 8.778 5.853 ( -0.199 0.000 -0.115) 0.229 5.853 ( -0.199 0.000 0.115) 0.229 5.899 ( 1.070 0.000 -0.438) 1.156 5.899 ( 1.070 0.000 0.438) 1.156 5.995 ( -0.115 0.000 -0.242) 0.268 5.995 ( -0.115 0.000 0.242) 0.268 6.036 ( -0.976 0.000 -0.364) 1.042 6.036 ( -0.976 0.000 0.364) 1.042 6.183 ( -0.179 0.000 -0.772) 0.793 6.183 ( -0.179 0.000 0.772) 0.793 6.185 ( 3.783 0.000 -2.745) 4.674 6.185 ( 3.783 0.000 2.745) 4.674 6.289 ( -4.230 0.000 -1.915) 4.644 6.289 ( -4.230 0.000 1.915) 4.644 6.300 ( 1.022 0.000 -1.689) 1.974 6.300 ( 1.022 0.000 1.689) 1.974 6.348 ( -0.697 0.000 -2.179) 2.287 6.348 ( -0.697 0.000 2.179) 2.287 6.456 ( -3.851 0.000 -7.445) 8.382 6.456 ( -3.851 0.000 7.445) 8.382 6.473 ( -2.447 0.000 -1.118) 2.690 6.473 ( -2.447 0.000 1.118) 2.690 6.495 ( 0.203 0.000 -0.096) 0.225 6.495 ( 0.203 0.000 0.096) 0.225 6.651 ( 0.257 0.000 -1.776) 1.795 6.651 ( 0.257 0.000 1.776) 1.795 6.710 ( -0.113 0.000 -0.088) 0.143 6.710 ( -0.113 0.000 0.088) 0.143 6.720 ( -4.916 0.000 -0.853) 4.989 6.720 ( -4.916 0.000 0.853) 4.989 6.881 ( 0.052 0.000 -0.205) 0.212 6.881 ( 0.052 0.000 0.205) 0.212 7.007 ( 4.643 0.000 -2.909) 5.479 7.007 ( 4.643 0.000 2.909) 5.479 7.039 ( 0.872 0.000 -2.533) 2.678 7.039 ( 0.872 0.000 2.533) 2.678 7.100 ( 0.995 0.000 -1.419) 1.733 7.100 ( 0.995 0.000 1.419) 1.733 7.193 ( -4.833 0.000 -2.532) 5.456 7.193 ( -4.833 0.000 2.532) 5.456 7.248 ( -0.010 0.000 -0.325) 0.325 7.248 ( -0.010 0.000 0.325) 0.325 7.382 ( 1.583 0.000 -1.105) 1.930 7.382 ( 1.583 0.000 1.105) 1.930 7.470 ( -0.003 0.000 -0.077) 0.077 7.470 ( -0.003 0.000 0.077) 0.077 7.501 ( 2.543 0.000 -2.434) 3.520 7.501 ( 2.543 0.000 2.434) 3.520 7.626 ( -0.015 0.000 -0.027) 0.031 7.626 ( -0.015 0.000 0.027) 0.031 7.704 ( -4.227 0.000 -3.608) 5.558 7.704 ( -4.227 0.000 3.608) 5.558 7.873 ( 1.183 0.000 -1.431) 1.856 7.873 ( 1.183 0.000 1.431) 1.856 8.032 ( -0.002 0.000 -0.003) 0.004 8.032 ( -0.002 0.000 0.003) 0.004 8.081 ( -0.711 0.000 -3.670) 3.739 8.081 ( -0.711 0.000 3.670) 3.739 8.084 ( 0.009 0.000 -0.002) 0.009 8.084 ( 0.009 0.000 0.002) 0.009 8.160 ( 0.110 0.000 -2.705) 2.707 8.160 ( 0.110 0.000 2.705) 2.707 8.422 ( 3.042 0.000 -2.001) 3.642 8.422 ( 3.042 0.000 2.001) 3.642 8.488 ( 0.202 0.000 -0.857) 0.880 8.488 ( 0.202 0.000 0.857) 0.880 8.588 ( 6.095 0.000 -3.212) 6.890 8.588 ( 6.095 0.000 3.212) 6.890 8.720 ( 0.143 0.000 -6.535) 6.537 8.720 ( 0.143 0.000 6.535) 6.537 9.042 ( 2.564 0.000 -1.867) 3.172 9.042 ( 2.564 0.000 1.867) 3.172 9.198 ( -6.382 0.000 -4.944) 8.073 9.198 ( -6.382 0.000 4.944) 8.073 9.290 ( 1.620 0.000 -1.385) 2.131 9.290 ( 1.620 0.000 1.385) 2.131 9.340 ( -2.361 0.000 -0.612) 2.439 9.340 ( -2.361 0.000 0.612) 2.439 9.724 ( -0.717 0.000 -0.852) 1.113 9.724 ( -0.717 0.000 0.852) 1.113 9.884 ( 0.042 0.000 -0.716) 0.717 9.884 ( 0.042 0.000 0.716) 0.717 10.122 ( 5.704 0.000 -4.318) 7.154 10.122 ( 5.704 0.000 4.318) 7.154 10.225 ( -0.296 0.000 -1.363) 1.395 10.225 ( -0.296 0.000 1.363) 1.395 ======================= Grid point 45 (17/28) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.000 14.212 -15.459) 20.999 0.740 ( 0.000 14.212 15.459) 20.999 0.886 ( 0.000 15.362 -20.088) 25.288 0.886 ( 0.000 15.362 20.088) 25.288 1.274 ( 0.000 8.459 -4.509) 9.586 1.274 ( 0.000 8.459 4.509) 9.586 1.391 ( 0.000 29.276 -19.713) 35.294 1.391 ( 0.000 29.276 19.713) 35.294 1.525 ( 0.000 10.047 -1.917) 10.229 1.525 ( 0.000 10.047 1.917) 10.229 1.546 ( 0.000 5.150 -2.055) 5.545 1.546 ( 0.000 5.150 2.055) 5.545 1.644 ( 0.000 7.009 -5.552) 8.941 1.644 ( 0.000 7.009 5.552) 8.941 1.725 ( 0.000 12.710 -5.983) 14.047 1.725 ( 0.000 12.710 5.983) 14.047 1.796 ( 0.000 8.478 -3.059) 9.013 1.796 ( 0.000 8.478 3.059) 9.013 1.917 ( 0.000 7.875 -5.815) 9.789 1.917 ( 0.000 7.875 5.815) 9.789 2.004 ( 0.000 6.407 -6.165) 8.892 2.004 ( 0.000 6.407 6.165) 8.892 2.073 ( 0.000 6.669 -4.939) 8.298 2.073 ( 0.000 6.669 4.939) 8.298 2.184 ( 0.000 8.058 -1.513) 8.198 2.184 ( 0.000 8.058 1.513) 8.198 2.203 ( 0.000 10.734 -0.797) 10.764 2.203 ( 0.000 10.734 0.797) 10.764 2.250 ( 0.000 2.728 -2.791) 3.903 2.250 ( 0.000 2.728 2.791) 3.903 2.284 ( 0.000 7.937 -4.621) 9.184 2.284 ( 0.000 7.937 4.621) 9.184 2.305 ( 0.000 8.531 -4.629) 9.706 2.305 ( 0.000 8.531 4.629) 9.706 2.349 ( 0.000 5.957 -2.679) 6.531 2.349 ( 0.000 5.957 2.679) 6.531 2.466 ( 0.000 18.451 -1.823) 18.540 2.466 ( 0.000 18.451 1.823) 18.540 2.582 ( 0.000 10.874 -1.421) 10.966 2.582 ( 0.000 10.874 1.421) 10.966 2.790 ( 0.000 6.607 -1.347) 6.743 2.790 ( 0.000 6.607 1.347) 6.743 2.808 ( 0.000 7.633 -0.830) 7.678 2.808 ( 0.000 7.633 0.830) 7.678 2.873 ( 0.000 4.223 -4.370) 6.077 2.873 ( 0.000 4.223 4.370) 6.077 2.888 ( 0.000 6.125 -6.357) 8.828 2.888 ( 0.000 6.125 6.357) 8.828 2.931 ( 0.000 3.845 -1.340) 4.072 2.931 ( 0.000 3.845 1.340) 4.072 3.043 ( 0.000 4.773 -16.621) 17.293 3.043 ( 0.000 4.773 16.621) 17.293 3.106 ( 0.000 0.330 -9.389) 9.395 3.106 ( 0.000 0.330 9.389) 9.395 3.342 ( 0.000 -1.199 -12.943) 12.999 3.342 ( 0.000 -1.199 12.943) 12.999 3.471 ( 0.000 -0.775 -2.423) 2.544 3.471 ( 0.000 -0.775 2.423) 2.544 3.704 ( 0.000 -1.148 -2.698) 2.932 3.704 ( 0.000 -1.148 2.698) 2.932 3.736 ( 0.000 -2.198 -1.391) 2.601 3.736 ( 0.000 -2.198 1.391) 2.601 3.867 ( 0.000 -2.436 -0.763) 2.553 3.867 ( 0.000 -2.436 0.763) 2.553 4.098 ( 0.000 -5.552 -7.809) 9.581 4.098 ( 0.000 -5.552 7.809) 9.581 4.227 ( 0.000 -4.354 -4.281) 6.106 4.227 ( 0.000 -4.354 4.281) 6.106 4.382 ( 0.000 -5.399 -3.145) 6.248 4.382 ( 0.000 -5.399 3.145) 6.248 4.554 ( 0.000 -4.709 -0.032) 4.709 4.554 ( 0.000 -4.709 0.032) 4.709 4.629 ( 0.000 -5.230 -0.835) 5.297 4.629 ( 0.000 -5.230 0.835) 5.297 4.700 ( 0.000 -5.382 -0.043) 5.382 4.700 ( 0.000 -5.382 0.043) 5.382 4.927 ( 0.000 -0.479 -2.452) 2.498 4.927 ( 0.000 -0.479 2.452) 2.498 5.063 ( 0.000 -2.518 -0.898) 2.673 5.063 ( 0.000 -2.518 0.898) 2.673 5.172 ( 0.000 -3.031 -0.317) 3.048 5.172 ( 0.000 -3.031 0.317) 3.048 5.306 ( 0.000 -4.415 -1.775) 4.758 5.306 ( 0.000 -4.415 1.775) 4.758 5.363 ( 0.000 6.861 -0.185) 6.864 5.363 ( 0.000 6.861 0.185) 6.864 5.458 ( 0.000 6.019 -0.317) 6.028 5.458 ( 0.000 6.019 0.317) 6.028 5.667 ( 0.000 -0.845 -4.489) 4.568 5.667 ( 0.000 -0.845 4.489) 4.568 5.769 ( 0.000 12.191 -2.573) 12.459 5.769 ( 0.000 12.191 2.573) 12.459 5.860 ( 0.000 5.628 -1.611) 5.854 5.860 ( 0.000 5.628 1.611) 5.854 5.925 ( 0.000 5.233 -1.663) 5.490 5.925 ( 0.000 5.233 1.663) 5.490 5.968 ( 0.000 8.154 -2.580) 8.552 5.968 ( 0.000 8.154 2.580) 8.552 5.990 ( 0.000 0.061 -1.853) 1.854 5.990 ( 0.000 0.061 1.853) 1.854 6.106 ( 0.000 0.371 -1.274) 1.327 6.106 ( 0.000 0.371 1.274) 1.327 6.168 ( 0.000 4.735 -1.441) 4.949 6.168 ( 0.000 4.735 1.441) 4.949 6.229 ( 0.000 2.740 -3.512) 4.455 6.229 ( 0.000 2.740 3.512) 4.455 6.291 ( 0.000 3.621 -3.877) 5.305 6.291 ( 0.000 3.621 3.877) 5.305 6.365 ( 0.000 3.486 -4.399) 5.612 6.365 ( 0.000 3.486 4.399) 5.612 6.420 ( 0.000 -1.597 -4.905) 5.158 6.420 ( 0.000 -1.597 4.905) 5.158 6.473 ( 0.000 7.937 -1.778) 8.134 6.473 ( 0.000 7.937 1.778) 8.134 6.529 ( 0.000 -2.551 -0.202) 2.559 6.529 ( 0.000 -2.551 0.202) 2.559 6.557 ( 0.000 6.386 -0.714) 6.425 6.557 ( 0.000 6.386 0.714) 6.425 6.707 ( 0.000 -3.250 -4.887) 5.869 6.707 ( 0.000 -3.250 4.887) 5.869 6.756 ( 0.000 3.005 -0.792) 3.108 6.756 ( 0.000 3.005 0.792) 3.108 6.806 ( 0.000 2.716 -0.583) 2.777 6.806 ( 0.000 2.716 0.583) 2.777 6.861 ( 0.000 0.559 -1.461) 1.564 6.861 ( 0.000 0.559 1.461) 1.564 6.968 ( 0.000 1.756 -1.597) 2.374 6.968 ( 0.000 1.756 1.597) 2.374 7.034 ( 0.000 -0.119 -0.041) 0.125 7.034 ( 0.000 -0.119 0.041) 0.125 7.092 ( 0.000 1.653 -1.629) 2.321 7.092 ( 0.000 1.653 1.629) 2.321 7.241 ( 0.000 -1.424 -0.473) 1.500 7.241 ( 0.000 -1.424 0.473) 1.500 7.277 ( 0.000 2.213 -0.332) 2.238 7.277 ( 0.000 2.213 0.332) 2.238 7.356 ( 0.000 1.172 -1.678) 2.047 7.356 ( 0.000 1.172 1.678) 2.047 7.444 ( 0.000 -1.233 -0.177) 1.245 7.444 ( 0.000 -1.233 0.177) 1.245 7.549 ( 0.000 1.539 -0.792) 1.730 7.549 ( 0.000 1.539 0.792) 1.730 7.634 ( 0.000 0.269 -0.021) 0.269 7.634 ( 0.000 0.269 0.021) 0.269 7.768 ( 0.000 -0.438 -0.803) 0.914 7.768 ( 0.000 -0.438 0.803) 0.914 7.851 ( 0.000 1.091 -2.774) 2.981 7.851 ( 0.000 1.091 2.774) 2.981 7.971 ( 0.000 0.229 -2.275) 2.286 7.971 ( 0.000 0.229 2.275) 2.286 8.045 ( 0.000 -0.723 -1.420) 1.594 8.045 ( 0.000 -0.723 1.420) 1.594 8.166 ( 0.000 0.647 -6.827) 6.858 8.166 ( 0.000 0.647 6.827) 6.858 8.272 ( 0.000 -1.570 -1.483) 2.159 8.272 ( 0.000 -1.570 1.483) 2.159 8.375 ( 0.000 8.393 -9.634) 12.777 8.375 ( 0.000 8.393 9.634) 12.777 8.419 ( 0.000 -1.890 -2.469) 3.109 8.419 ( 0.000 -1.890 2.469) 3.109 8.438 ( 0.000 -6.408 -2.739) 6.969 8.438 ( 0.000 -6.408 2.739) 6.969 8.683 ( 0.000 -3.794 -9.695) 10.411 8.683 ( 0.000 -3.794 9.695) 10.411 8.933 ( 0.000 -6.868 -0.023) 6.868 8.933 ( 0.000 -6.868 0.023) 6.868 9.220 ( 0.000 -5.373 -3.031) 6.169 9.220 ( 0.000 -5.373 3.031) 6.169 9.261 ( 0.000 -4.263 -2.012) 4.714 9.261 ( 0.000 -4.263 2.012) 4.714 9.314 ( 0.000 -6.445 -0.852) 6.502 9.314 ( 0.000 -6.445 0.852) 6.502 9.679 ( 0.000 -6.055 -2.404) 6.514 9.679 ( 0.000 -6.055 2.404) 6.514 9.834 ( 0.000 -8.130 -0.426) 8.141 9.834 ( 0.000 -8.130 0.426) 8.141 9.885 ( 0.000 -5.103 -0.941) 5.189 9.885 ( 0.000 -5.103 0.941) 5.189 10.144 ( 0.000 -8.034 -0.730) 8.068 10.144 ( 0.000 -8.034 0.730) 8.068 ======================= Grid point 47 (18/28) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 9.311 12.345 -13.497) 20.525 0.832 ( 9.311 12.345 13.497) 20.525 1.046 ( 7.351 14.328 -11.093) 19.555 1.046 ( 7.351 14.328 11.093) 19.555 1.095 ( -8.063 10.015 -3.455) 13.314 1.095 ( -8.063 10.015 3.455) 13.314 1.350 ( -13.242 15.717 -7.791) 21.979 1.350 ( -13.242 15.717 7.791) 21.979 1.550 ( 3.455 9.085 -5.351) 11.095 1.550 ( 3.455 9.085 5.351) 11.095 1.633 ( 13.704 16.757 -13.275) 25.393 1.633 ( 13.704 16.757 13.275) 25.393 1.686 ( 3.218 9.911 -0.416) 10.429 1.686 ( 3.218 9.911 0.416) 10.429 1.781 ( 7.548 8.453 -6.666) 13.148 1.781 ( 7.548 8.453 6.666) 13.148 1.881 ( 3.008 3.721 -2.541) 5.418 1.881 ( 3.008 3.721 2.541) 5.418 1.958 ( 2.382 9.710 -0.764) 10.027 1.958 ( 2.382 9.710 0.764) 10.027 2.035 ( -3.113 4.741 -2.297) 6.119 2.035 ( -3.113 4.741 2.297) 6.119 2.057 ( 3.632 8.560 -1.901) 9.491 2.057 ( 3.632 8.560 1.901) 9.491 2.143 ( -5.092 12.533 -1.389) 13.599 2.143 ( -5.092 12.533 1.389) 13.599 2.205 ( 0.415 4.649 -1.020) 4.778 2.205 ( 0.415 4.649 1.020) 4.778 2.243 ( -3.786 7.153 -0.630) 8.118 2.243 ( -3.786 7.153 0.630) 8.118 2.262 ( -7.907 7.217 -1.944) 10.881 2.262 ( -7.907 7.217 1.944) 10.881 2.303 ( -3.729 11.815 -1.322) 12.460 2.303 ( -3.729 11.815 1.322) 12.460 2.341 ( -3.495 10.160 -2.358) 11.000 2.341 ( -3.495 10.160 2.358) 11.000 2.468 ( 5.644 2.546 -2.808) 6.799 2.468 ( 5.644 2.546 2.808) 6.799 2.506 ( -0.483 18.023 -1.007) 18.057 2.506 ( -0.483 18.023 1.007) 18.057 2.556 ( -2.117 13.095 -1.182) 13.317 2.556 ( -2.117 13.095 1.182) 13.317 2.734 ( -10.772 2.133 -3.319) 11.472 2.734 ( -10.772 2.133 3.319) 11.472 2.792 ( -2.519 6.460 -0.640) 6.964 2.792 ( -2.519 6.460 0.640) 6.964 2.825 ( 0.069 8.055 -0.256) 8.059 2.825 ( 0.069 8.055 0.256) 8.059 3.028 ( 2.213 2.012 -2.495) 3.894 3.028 ( 2.213 2.012 2.495) 3.894 3.121 ( -1.642 0.166 -6.086) 6.306 3.121 ( -1.642 0.166 6.086) 6.306 3.155 ( 2.415 2.445 -6.310) 7.185 3.155 ( 2.415 2.445 6.310) 7.185 3.289 ( -5.817 3.435 -12.431) 14.148 3.289 ( -5.817 3.435 12.431) 14.148 3.485 ( 9.257 -0.369 -6.451) 11.290 3.485 ( 9.257 -0.369 6.451) 11.290 3.668 ( -2.262 -2.584 -0.228) 3.441 3.668 ( -2.262 -2.584 0.228) 3.441 3.869 ( 1.038 -2.659 -1.803) 3.376 3.869 ( 1.038 -2.659 1.803) 3.376 3.994 ( 11.133 -4.232 -1.522) 12.007 3.994 ( 11.133 -4.232 1.522) 12.007 4.134 ( 2.974 -5.538 -4.532) 7.749 4.134 ( 2.974 -5.538 4.532) 7.749 4.273 ( -1.011 -3.752 -2.179) 4.455 4.273 ( -1.011 -3.752 2.179) 4.455 4.326 ( 1.020 -5.662 -2.631) 6.326 4.326 ( 1.020 -5.662 2.631) 6.326 4.509 ( -5.956 -5.322 -2.139) 8.269 4.509 ( -5.956 -5.322 2.139) 8.269 4.609 ( -0.256 -3.478 -0.883) 3.598 4.609 ( -0.256 -3.478 0.883) 3.598 4.678 ( -1.223 -4.373 -0.811) 4.612 4.678 ( -1.223 -4.373 0.811) 4.612 4.951 ( 2.029 -1.144 -1.128) 2.588 4.951 ( 2.029 -1.144 1.128) 2.588 5.023 ( -2.810 -1.959 -0.590) 3.476 5.023 ( -2.810 -1.959 0.590) 3.476 5.223 ( 3.134 -5.833 -1.772) 6.855 5.223 ( 3.134 -5.833 1.772) 6.855 5.297 ( -0.937 -3.976 -1.925) 4.516 5.297 ( -0.937 -3.976 1.925) 4.516 5.386 ( 2.026 6.858 -0.134) 7.153 5.386 ( 2.026 6.858 0.134) 7.153 5.436 ( -1.916 6.371 -0.368) 6.663 5.436 ( -1.916 6.371 0.368) 6.663 5.652 ( -0.992 -0.120 -2.819) 2.990 5.652 ( -0.992 -0.120 2.819) 2.990 5.776 ( 0.672 9.734 -1.956) 9.952 5.776 ( 0.672 9.734 1.956) 9.952 5.836 ( -1.877 7.598 -1.891) 8.052 5.836 ( -1.877 7.598 1.891) 8.052 5.916 ( -0.135 4.931 -0.361) 4.946 5.916 ( -0.135 4.931 0.361) 4.946 5.952 ( -1.389 2.091 -1.456) 2.902 5.952 ( -1.389 2.091 1.456) 2.902 6.022 ( 2.861 7.010 -0.892) 7.624 6.022 ( 2.861 7.010 0.892) 7.624 6.138 ( 0.126 5.794 -1.662) 6.029 6.138 ( 0.126 5.794 1.662) 6.029 6.156 ( 1.925 0.048 -2.533) 3.182 6.156 ( 1.925 0.048 2.533) 3.182 6.227 ( -0.931 1.304 -2.600) 3.054 6.227 ( -0.931 1.304 2.600) 3.054 6.291 ( -0.950 4.055 -2.436) 4.825 6.291 ( -0.950 4.055 2.436) 4.825 6.332 ( -1.261 2.530 -1.456) 3.180 6.332 ( -1.261 2.530 1.456) 3.180 6.387 ( -1.969 2.667 -3.222) 4.623 6.387 ( -1.969 2.667 3.222) 4.623 6.487 ( -2.307 2.882 -0.331) 3.706 6.487 ( -2.307 2.882 0.331) 3.706 6.514 ( 0.718 5.210 -0.305) 5.268 6.514 ( 0.718 5.210 0.305) 5.268 6.572 ( 1.087 2.651 -0.397) 2.893 6.572 ( 1.087 2.651 0.397) 2.893 6.623 ( -0.833 -0.889 -0.967) 1.556 6.623 ( -0.833 -0.889 0.967) 1.556 6.717 ( -3.641 4.173 -0.756) 5.590 6.717 ( -3.641 4.173 0.756) 5.590 6.770 ( -1.124 4.227 -0.608) 4.416 6.770 ( -1.124 4.227 0.608) 4.416 6.953 ( 2.892 4.219 -1.711) 5.393 6.953 ( 2.892 4.219 1.711) 5.393 6.993 ( 3.544 -0.849 -2.147) 4.230 6.993 ( 3.544 -0.849 2.147) 4.230 7.065 ( 0.041 2.164 -2.957) 3.664 7.065 ( 0.041 2.164 2.957) 3.664 7.111 ( 1.733 1.293 -1.352) 2.550 7.111 ( 1.733 1.293 1.352) 2.550 7.179 ( -4.338 -0.684 -1.933) 4.798 7.179 ( -4.338 -0.684 1.933) 4.798 7.280 ( 0.112 2.583 -0.467) 2.627 7.280 ( 0.112 2.583 0.467) 2.627 7.372 ( 1.035 -0.855 -1.041) 1.699 7.372 ( 1.035 -0.855 1.041) 1.699 7.440 ( 0.105 -0.776 -0.674) 1.033 7.440 ( 0.105 -0.776 0.674) 1.033 7.561 ( 1.589 2.872 -1.351) 3.549 7.561 ( 1.589 2.872 1.351) 3.549 7.626 ( -0.639 -0.479 -0.727) 1.080 7.626 ( -0.639 -0.479 0.727) 1.080 7.709 ( -3.990 0.370 -2.250) 4.595 7.709 ( -3.990 0.370 2.250) 4.595 7.842 ( -0.690 -1.831 -1.486) 2.457 7.842 ( -0.690 -1.831 1.486) 2.457 8.000 ( 1.566 -1.778 -1.337) 2.721 8.000 ( 1.566 -1.778 1.337) 2.721 8.055 ( 0.769 0.878 -0.801) 1.416 8.055 ( 0.769 0.878 0.801) 1.416 8.158 ( -0.911 1.514 -4.084) 4.450 8.158 ( -0.911 1.514 4.084) 4.450 8.217 ( -1.836 4.464 -2.446) 5.411 8.217 ( -1.836 4.464 2.446) 5.411 8.381 ( 1.171 -3.976 -2.678) 4.935 8.381 ( 1.171 -3.976 2.678) 4.935 8.420 ( -0.229 -6.582 -0.986) 6.659 8.420 ( -0.229 -6.582 0.986) 6.659 8.569 ( 5.553 -2.008 -5.064) 7.779 8.569 ( 5.553 -2.008 5.064) 7.779 8.670 ( -0.815 -5.027 -6.105) 7.950 8.670 ( -0.815 -5.027 6.105) 7.950 8.979 ( 3.783 -5.578 -3.008) 7.381 8.979 ( 3.783 -5.578 3.008) 7.381 9.133 ( -6.965 -6.020 -5.210) 10.578 9.133 ( -6.965 -6.020 5.210) 10.578 9.251 ( 1.297 -3.816 -1.120) 4.183 9.251 ( 1.297 -3.816 1.120) 4.183 9.287 ( -1.815 -4.937 -0.478) 5.282 9.287 ( -1.815 -4.937 0.478) 5.282 9.660 ( -0.815 -6.244 -0.810) 6.349 9.660 ( -0.815 -6.244 0.810) 6.349 9.811 ( -0.087 -6.929 -0.198) 6.932 9.811 ( -0.087 -6.929 0.198) 6.932 10.019 ( 5.705 -8.712 -1.937) 10.593 10.019 ( 5.705 -8.712 1.937) 10.593 10.132 ( -1.095 -8.663 -0.987) 8.787 10.132 ( -1.095 -8.663 0.987) 8.787 ======================= Grid point 51 (19/28) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.000 18.186 -7.336) 19.610 1.069 ( 0.000 18.186 7.336) 19.610 1.196 ( 0.000 16.473 -13.642) 21.388 1.196 ( 0.000 16.473 13.642) 21.388 1.432 ( 0.000 9.872 -2.054) 10.084 1.432 ( 0.000 9.872 2.054) 10.084 1.620 ( 0.000 5.530 -2.061) 5.901 1.620 ( 0.000 5.530 2.061) 5.901 1.683 ( 0.000 6.138 -3.096) 6.874 1.683 ( 0.000 6.138 3.096) 6.874 1.843 ( 0.000 7.420 -5.738) 9.380 1.843 ( 0.000 7.420 5.738) 9.380 1.894 ( 0.000 9.846 -0.953) 9.892 1.894 ( 0.000 9.846 0.953) 9.892 1.918 ( 0.000 9.597 -3.878) 10.351 1.918 ( 0.000 9.597 3.878) 10.351 2.099 ( 0.000 11.532 -6.585) 13.280 2.099 ( 0.000 11.532 6.585) 13.280 2.137 ( 0.000 18.171 -7.737) 19.750 2.137 ( 0.000 18.171 7.737) 19.750 2.174 ( 0.000 10.836 -3.668) 11.440 2.174 ( 0.000 10.836 3.668) 11.440 2.240 ( 0.000 5.769 -1.773) 6.035 2.240 ( 0.000 5.769 1.773) 6.035 2.256 ( 0.000 12.587 -1.425) 12.667 2.256 ( 0.000 12.587 1.425) 12.667 2.304 ( 0.000 5.178 -0.174) 5.181 2.304 ( 0.000 5.178 0.174) 5.181 2.403 ( 0.000 5.766 -1.436) 5.942 2.403 ( 0.000 5.766 1.436) 5.942 2.508 ( 0.000 11.081 -1.290) 11.156 2.508 ( 0.000 11.081 1.290) 11.156 2.557 ( 0.000 17.706 -1.256) 17.750 2.557 ( 0.000 17.706 1.256) 17.750 2.605 ( 0.000 16.209 -1.243) 16.256 2.605 ( 0.000 16.209 1.243) 16.256 2.799 ( 0.000 7.076 -2.794) 7.608 2.799 ( 0.000 7.076 2.794) 7.608 2.874 ( 0.000 17.114 -4.047) 17.586 2.874 ( 0.000 17.114 4.047) 17.586 2.920 ( 0.000 2.242 -3.380) 4.056 2.920 ( 0.000 2.242 3.380) 4.056 2.941 ( 0.000 9.794 -3.092) 10.271 2.941 ( 0.000 9.794 3.092) 10.271 3.019 ( 0.000 10.680 -0.319) 10.685 3.019 ( 0.000 10.680 0.319) 10.685 3.054 ( 0.000 12.093 -3.543) 12.601 3.054 ( 0.000 12.093 3.543) 12.601 3.121 ( 0.000 10.805 -4.390) 11.662 3.121 ( 0.000 10.805 4.390) 11.662 3.191 ( 0.000 20.029 -3.930) 20.411 3.191 ( 0.000 20.029 3.930) 20.411 3.248 ( 0.000 7.849 -13.025) 15.207 3.248 ( 0.000 7.849 13.025) 15.207 3.384 ( 0.000 10.489 -10.401) 14.771 3.384 ( 0.000 10.489 10.401) 14.771 3.477 ( 0.000 2.519 -0.024) 2.519 3.477 ( 0.000 2.519 0.024) 2.519 3.684 ( 0.000 -0.292 -3.230) 3.243 3.684 ( 0.000 -0.292 3.230) 3.243 3.705 ( 0.000 0.561 -3.333) 3.379 3.705 ( 0.000 0.561 3.333) 3.379 3.824 ( 0.000 -0.595 -1.496) 1.610 3.824 ( 0.000 -0.595 1.496) 1.610 3.974 ( 0.000 -6.701 -7.069) 9.740 3.974 ( 0.000 -6.701 7.069) 9.740 4.116 ( 0.000 -7.200 -3.736) 8.112 4.116 ( 0.000 -7.200 3.736) 8.112 4.241 ( 0.000 -8.235 -3.806) 9.072 4.241 ( 0.000 -8.235 3.806) 9.072 4.416 ( 0.000 -9.317 -1.922) 9.514 4.416 ( 0.000 -9.317 1.922) 9.514 4.525 ( 0.000 -5.086 -1.514) 5.307 4.525 ( 0.000 -5.086 1.514) 5.307 4.595 ( 0.000 -5.166 -0.602) 5.201 4.595 ( 0.000 -5.166 0.602) 5.201 4.936 ( 0.000 1.579 -1.054) 1.898 4.936 ( 0.000 1.579 1.054) 1.898 5.015 ( 0.000 -2.275 -0.520) 2.334 5.015 ( 0.000 -2.275 0.520) 2.334 5.117 ( 0.000 -2.177 -1.047) 2.416 5.117 ( 0.000 -2.177 1.047) 2.416 5.228 ( 0.000 -3.279 -0.144) 3.282 5.228 ( 0.000 -3.279 0.144) 3.282 5.528 ( 0.000 9.146 -0.418) 9.156 5.528 ( 0.000 9.146 0.418) 9.156 5.592 ( 0.000 7.106 -0.301) 7.112 5.592 ( 0.000 7.106 0.301) 7.112 5.633 ( 0.000 -2.238 -4.039) 4.618 5.633 ( 0.000 -2.238 4.039) 4.618 5.906 ( 0.000 0.295 -0.977) 1.020 5.906 ( 0.000 0.295 0.977) 1.020 5.952 ( 0.000 5.660 -2.371) 6.136 5.952 ( 0.000 5.660 2.371) 6.136 6.003 ( 0.000 2.084 -2.291) 3.097 6.003 ( 0.000 2.084 2.291) 3.097 6.030 ( 0.000 3.851 -2.229) 4.449 6.030 ( 0.000 3.851 2.229) 4.449 6.100 ( 0.000 2.147 -0.112) 2.150 6.100 ( 0.000 2.147 0.112) 2.150 6.126 ( 0.000 4.106 -1.883) 4.517 6.126 ( 0.000 4.106 1.883) 4.517 6.244 ( 0.000 1.386 -3.870) 4.111 6.244 ( 0.000 1.386 3.870) 4.111 6.300 ( 0.000 3.706 -4.761) 6.033 6.300 ( 0.000 3.706 4.761) 6.033 6.410 ( 0.000 5.632 -1.980) 5.970 6.410 ( 0.000 5.632 1.980) 5.970 6.428 ( 0.000 2.213 -2.664) 3.463 6.428 ( 0.000 2.213 2.664) 3.463 6.449 ( 0.000 4.930 -3.999) 6.348 6.449 ( 0.000 4.930 3.999) 6.348 6.498 ( 0.000 3.034 -0.808) 3.140 6.498 ( 0.000 3.034 0.808) 3.140 6.608 ( 0.000 0.262 -0.986) 1.020 6.608 ( 0.000 0.262 0.986) 1.020 6.645 ( 0.000 2.684 -0.962) 2.851 6.645 ( 0.000 2.684 0.962) 2.851 6.732 ( 0.000 9.035 -1.559) 9.168 6.732 ( 0.000 9.035 1.559) 9.168 6.784 ( 0.000 0.542 -1.508) 1.602 6.784 ( 0.000 0.542 1.508) 1.602 6.893 ( 0.000 3.767 -1.641) 4.109 6.893 ( 0.000 3.767 1.641) 4.109 6.931 ( 0.000 7.383 -2.385) 7.759 6.931 ( 0.000 7.383 2.385) 7.759 6.977 ( 0.000 -0.644 -1.222) 1.381 6.977 ( 0.000 -0.644 1.222) 1.381 7.086 ( 0.000 4.466 -0.915) 4.559 7.086 ( 0.000 4.466 0.915) 4.559 7.133 ( 0.000 3.312 -2.900) 4.402 7.133 ( 0.000 3.312 2.900) 4.402 7.211 ( 0.000 -1.136 -0.311) 1.178 7.211 ( 0.000 -1.136 0.311) 1.178 7.302 ( 0.000 0.619 -1.905) 2.003 7.302 ( 0.000 0.619 1.905) 2.003 7.411 ( 0.000 3.781 -0.615) 3.830 7.411 ( 0.000 3.781 0.615) 3.830 7.430 ( 0.000 -0.185 -0.393) 0.435 7.430 ( 0.000 -0.185 0.393) 0.435 7.552 ( 0.000 -1.973 -2.478) 3.167 7.552 ( 0.000 -1.973 2.478) 3.167 7.598 ( 0.000 -2.989 -2.325) 3.787 7.598 ( 0.000 -2.989 2.325) 3.787 7.753 ( 0.000 0.458 -0.932) 1.039 7.753 ( 0.000 0.458 0.932) 1.039 7.875 ( 0.000 0.655 -3.219) 3.285 7.875 ( 0.000 0.655 3.219) 3.285 7.904 ( 0.000 -7.220 -1.685) 7.414 7.904 ( 0.000 -7.220 1.685) 7.414 8.083 ( 0.000 -0.578 -1.499) 1.607 8.083 ( 0.000 -0.578 1.499) 1.607 8.139 ( 0.000 -3.221 -2.803) 4.270 8.139 ( 0.000 -3.221 2.803) 4.270 8.225 ( 0.000 -3.575 -2.145) 4.169 8.225 ( 0.000 -3.575 2.145) 4.169 8.273 ( 0.000 -8.220 -1.374) 8.334 8.273 ( 0.000 -8.220 1.374) 8.334 8.328 ( 0.000 0.118 -1.726) 1.730 8.328 ( 0.000 0.118 1.726) 1.730 8.499 ( 0.000 -3.973 -4.362) 5.900 8.499 ( 0.000 -3.973 4.362) 5.900 8.585 ( 0.000 -1.665 -10.129) 10.265 8.585 ( 0.000 -1.665 10.129) 10.265 8.820 ( 0.000 -3.010 -4.005) 5.010 8.820 ( 0.000 -3.010 4.005) 5.010 9.074 ( 0.000 -8.209 -3.130) 8.785 9.074 ( 0.000 -8.209 3.130) 8.785 9.176 ( 0.000 -4.089 -1.360) 4.309 9.176 ( 0.000 -4.089 1.360) 4.309 9.179 ( 0.000 -7.032 -0.141) 7.033 9.179 ( 0.000 -7.032 0.141) 7.033 9.523 ( 0.000 -9.423 -0.109) 9.424 9.523 ( 0.000 -9.423 0.109) 9.424 9.642 ( 0.000 -10.306 -0.421) 10.315 9.642 ( 0.000 -10.306 0.421) 10.315 9.778 ( 0.000 -6.024 -0.441) 6.040 9.778 ( 0.000 -6.024 0.441) 6.040 9.947 ( 0.000 -11.282 -0.232) 11.285 9.947 ( 0.000 -11.282 0.232) 11.285 ======================= Grid point 53 (20/28) ======================= q-point: ( 0.33 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 4.971 15.988 -7.044) 18.164 1.123 ( 4.971 15.988 7.044) 18.164 1.288 ( -3.842 13.221 -2.535) 14.000 1.288 ( -3.842 13.221 2.535) 14.000 1.349 ( 6.549 13.640 -8.399) 17.305 1.349 ( 6.549 13.640 8.399) 17.305 1.605 ( -7.348 10.124 -5.716) 13.754 1.605 ( -7.348 10.124 5.716) 13.754 1.682 ( -2.738 6.476 -5.332) 8.824 1.682 ( -2.738 6.476 5.332) 8.824 1.807 ( 6.015 5.957 -3.179) 9.042 1.807 ( 6.015 5.957 3.179) 9.042 1.931 ( 2.235 4.564 -2.009) 5.465 1.931 ( 2.235 4.564 2.009) 5.465 1.974 ( 3.065 10.099 -3.106) 11.001 1.974 ( 3.065 10.099 3.106) 11.001 2.078 ( -2.338 5.704 -4.428) 7.590 2.078 ( -2.338 5.704 4.428) 7.590 2.136 ( -3.947 6.895 -1.253) 8.043 2.136 ( -3.947 6.895 1.253) 8.043 2.214 ( 4.780 17.487 -1.244) 18.171 2.214 ( 4.780 17.487 1.244) 18.171 2.252 ( 0.296 6.204 -1.453) 6.378 2.252 ( 0.296 6.204 1.453) 6.378 2.294 ( 1.947 11.044 -1.696) 11.342 2.294 ( 1.947 11.044 1.696) 11.342 2.369 ( 5.466 10.047 -2.437) 11.694 2.369 ( 5.466 10.047 2.437) 11.694 2.430 ( 3.828 7.336 -0.542) 8.293 2.430 ( 3.828 7.336 0.542) 8.293 2.511 ( -2.142 16.361 -0.992) 16.530 2.511 ( -2.142 16.361 0.992) 16.530 2.531 ( 1.271 12.921 -2.283) 13.183 2.531 ( 1.271 12.921 2.283) 13.183 2.593 ( -0.994 15.402 -1.297) 15.489 2.593 ( -0.994 15.402 1.297) 15.489 2.674 ( -9.675 13.904 -4.587) 17.549 2.674 ( -9.675 13.904 4.587) 17.549 2.767 ( -9.991 9.680 -1.551) 13.997 2.767 ( -9.991 9.680 1.551) 13.997 2.891 ( -2.129 2.494 -0.480) 3.314 2.891 ( -2.129 2.494 0.480) 3.314 2.932 ( -0.766 18.011 -2.450) 18.193 2.932 ( -0.766 18.011 2.450) 18.193 2.954 ( 1.007 14.671 -4.630) 15.418 2.954 ( 1.007 14.671 4.630) 15.418 3.034 ( -2.508 18.360 -0.906) 18.552 3.034 ( -2.508 18.360 0.906) 18.552 3.089 ( 1.717 7.333 -2.571) 7.958 3.089 ( 1.717 7.333 2.571) 7.958 3.168 ( -2.270 9.153 -6.557) 11.485 3.168 ( -2.270 9.153 6.557) 11.485 3.336 ( 4.206 14.218 -11.211) 18.589 3.336 ( 4.206 14.218 11.211) 18.589 3.440 ( -4.027 12.460 -7.815) 15.249 3.440 ( -4.027 12.460 7.815) 15.249 3.496 ( 6.458 2.249 -3.487) 7.676 3.496 ( 6.458 2.249 3.487) 7.676 3.616 ( -1.334 -1.200 -1.460) 2.313 3.616 ( -1.334 -1.200 1.460) 2.313 3.817 ( 2.047 -1.753 -3.001) 4.034 3.817 ( 2.047 -1.753 3.001) 4.034 3.891 ( 5.246 -5.550 -2.887) 8.165 3.891 ( 5.246 -5.550 2.887) 8.165 4.008 ( 4.194 -6.645 -3.382) 8.555 4.008 ( 4.194 -6.645 3.382) 8.555 4.159 ( -2.762 -9.216 -1.380) 9.719 4.159 ( -2.762 -9.216 1.380) 9.719 4.190 ( 1.765 -6.238 -0.741) 6.525 4.190 ( 1.765 -6.238 0.741) 6.525 4.371 ( -4.153 -8.271 -2.041) 9.477 4.371 ( -4.153 -8.271 2.041) 9.477 4.531 ( 0.589 -4.277 -1.501) 4.571 4.531 ( 0.589 -4.277 1.501) 4.571 4.584 ( -0.712 -5.043 -0.894) 5.170 4.584 ( -0.712 -5.043 0.894) 5.170 4.947 ( 1.049 0.802 -0.555) 1.432 4.947 ( 1.049 0.802 0.555) 1.432 4.987 ( -2.061 -1.479 -0.259) 2.550 4.987 ( -2.061 -1.479 0.259) 2.550 5.134 ( 0.926 -3.308 -0.762) 3.519 5.134 ( 0.926 -3.308 0.762) 3.519 5.233 ( 0.263 -2.624 -0.150) 2.642 5.233 ( 0.263 -2.624 0.150) 2.642 5.547 ( 1.615 8.875 -0.253) 9.025 5.547 ( 1.615 8.875 0.253) 9.025 5.581 ( -1.112 7.785 -0.150) 7.865 5.581 ( -1.112 7.785 0.150) 7.865 5.626 ( -0.447 -1.880 -2.184) 2.916 5.626 ( -0.447 -1.880 2.184) 2.916 5.889 ( -0.976 -0.385 -0.551) 1.185 5.889 ( -0.976 -0.385 0.551) 1.185 5.934 ( -0.820 4.864 -1.024) 5.038 5.934 ( -0.820 4.864 1.024) 5.038 6.006 ( 0.138 4.520 -0.936) 4.618 6.006 ( 0.138 4.520 0.936) 4.618 6.016 ( -0.884 4.421 -0.965) 4.611 6.016 ( -0.884 4.421 0.965) 4.611 6.134 ( 3.291 1.861 -1.814) 4.193 6.134 ( 3.291 1.861 1.814) 4.193 6.149 ( 1.119 0.705 -0.688) 1.491 6.149 ( 1.119 0.705 0.688) 1.491 6.216 ( -3.009 0.744 -3.336) 4.554 6.216 ( -3.009 0.744 3.336) 4.554 6.303 ( 0.455 5.316 -2.620) 5.944 6.303 ( 0.455 5.316 2.620) 5.944 6.393 ( -1.873 5.146 -1.940) 5.810 6.393 ( -1.873 5.146 1.940) 5.810 6.418 ( 0.936 5.283 -1.828) 5.668 6.418 ( 0.936 5.283 1.828) 5.668 6.471 ( 0.516 5.200 -1.211) 5.364 6.471 ( 0.516 5.200 1.211) 5.364 6.507 ( 0.786 1.643 -1.262) 2.216 6.507 ( 0.786 1.643 1.262) 2.216 6.542 ( -2.882 -0.722 -1.307) 3.246 6.542 ( -2.882 -0.722 1.307) 3.246 6.668 ( -0.841 4.863 -2.097) 5.362 6.668 ( -0.841 4.863 2.097) 5.362 6.701 ( 1.000 8.668 -0.459) 8.738 6.701 ( 1.000 8.668 0.459) 8.738 6.820 ( 0.852 3.149 -1.093) 3.440 6.820 ( 0.852 3.149 1.093) 3.440 6.851 ( -2.249 4.377 -2.567) 5.550 6.851 ( -2.249 4.377 2.567) 5.550 6.978 ( 2.333 2.644 -0.810) 3.618 6.978 ( 2.333 2.644 0.810) 3.618 7.041 ( 3.470 1.805 -1.433) 4.166 7.041 ( 3.470 1.805 1.433) 4.166 7.090 ( -1.143 1.733 -1.293) 2.446 7.090 ( -1.143 1.733 1.293) 2.446 7.150 ( 2.761 1.878 -1.075) 3.508 7.150 ( 2.761 1.878 1.075) 3.508 7.199 ( -0.175 2.678 -1.990) 3.341 7.199 ( -0.175 2.678 1.990) 3.341 7.315 ( -0.296 0.305 -1.023) 1.107 7.315 ( -0.296 0.305 1.023) 1.107 7.374 ( -1.800 1.793 -0.702) 2.636 7.374 ( -1.800 1.793 0.702) 2.636 7.441 ( 0.252 0.706 -1.065) 1.303 7.441 ( 0.252 0.706 1.065) 1.303 7.568 ( 1.424 -2.708 -0.582) 3.115 7.568 ( 1.424 -2.708 0.582) 3.115 7.598 ( 0.231 -1.410 -1.844) 2.333 7.598 ( 0.231 -1.410 1.844) 2.333 7.723 ( -1.973 1.177 -1.153) 2.571 7.723 ( -1.973 1.177 1.153) 2.571 7.830 ( -2.743 -0.464 -1.911) 3.375 7.830 ( -2.743 -0.464 1.911) 3.375 7.949 ( 2.523 -4.593 -0.902) 5.318 7.949 ( 2.523 -4.593 0.902) 5.318 8.085 ( -0.059 0.392 -0.872) 0.958 8.085 ( -0.059 0.392 0.872) 0.958 8.136 ( 0.219 -3.332 -1.806) 3.797 8.136 ( 0.219 -3.332 1.806) 3.797 8.227 ( -0.411 -5.649 -1.212) 5.792 8.227 ( -0.411 -5.649 1.212) 5.792 8.280 ( 0.980 -5.600 -1.698) 5.934 8.280 ( 0.980 -5.600 1.698) 5.934 8.309 ( -1.512 -1.970 -1.234) 2.773 8.309 ( -1.512 -1.970 1.234) 2.773 8.514 ( 1.171 -4.550 -2.970) 5.558 8.514 ( 1.171 -4.550 2.970) 5.558 8.557 ( -1.910 -2.772 -6.978) 7.748 8.557 ( -1.910 -2.772 6.978) 7.748 8.880 ( 5.018 -3.453 -5.093) 7.940 8.880 ( 5.018 -3.453 5.093) 7.940 9.006 ( -5.888 -6.101 -5.086) 9.887 9.006 ( -5.888 -6.101 5.086) 9.887 9.154 ( -0.832 -5.795 -0.365) 5.866 9.154 ( -0.832 -5.795 0.365) 5.866 9.178 ( -0.072 -5.393 -0.182) 5.397 9.178 ( -0.072 -5.393 0.182) 5.397 9.502 ( -0.962 -9.288 -0.118) 9.338 9.502 ( -0.962 -9.288 0.118) 9.338 9.645 ( 0.222 -9.345 -0.091) 9.348 9.645 ( 0.222 -9.345 0.091) 9.348 9.840 ( 3.725 -8.981 -0.418) 9.732 9.840 ( 3.725 -8.981 0.418) 9.732 9.930 ( -1.536 -11.207 -0.363) 11.317 9.930 ( -1.536 -11.207 0.363) 11.317 ======================= Grid point 57 (21/28) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.000 15.382 -2.256) 15.547 1.405 ( 0.000 15.382 2.256) 15.547 1.501 ( 0.000 14.094 -6.931) 15.706 1.501 ( 0.000 14.094 6.931) 15.706 1.647 ( 0.000 11.438 -1.770) 11.574 1.647 ( 0.000 11.438 1.770) 11.574 1.752 ( 0.000 8.100 -2.196) 8.393 1.752 ( 0.000 8.100 2.196) 8.393 1.800 ( 0.000 5.610 -1.290) 5.757 1.800 ( 0.000 5.610 1.290) 5.757 1.955 ( 0.000 4.445 -3.987) 5.971 1.955 ( 0.000 4.445 3.987) 5.971 1.988 ( 0.000 2.981 -1.070) 3.167 1.988 ( 0.000 2.981 1.070) 3.167 2.074 ( 0.000 6.390 -0.863) 6.448 2.074 ( 0.000 6.390 0.863) 6.448 2.227 ( 0.000 3.521 -0.279) 3.532 2.227 ( 0.000 3.521 0.279) 3.532 2.243 ( 0.000 2.710 -4.040) 4.865 2.243 ( 0.000 2.710 4.040) 4.865 2.298 ( 0.000 2.626 -0.251) 2.638 2.298 ( 0.000 2.626 0.251) 2.638 2.377 ( 0.000 5.930 -4.133) 7.228 2.377 ( 0.000 5.930 4.133) 7.228 2.431 ( 0.000 6.202 -1.422) 6.363 2.431 ( 0.000 6.202 1.422) 6.363 2.500 ( 0.000 4.579 -1.078) 4.704 2.500 ( 0.000 4.579 1.078) 4.704 2.630 ( 0.000 12.178 -0.018) 12.178 2.630 ( 0.000 12.178 0.018) 12.178 2.654 ( 0.000 3.049 -0.542) 3.097 2.654 ( 0.000 3.049 0.542) 3.097 2.792 ( 0.000 1.209 -1.879) 2.235 2.792 ( 0.000 1.209 1.879) 2.235 2.881 ( 0.000 9.281 -0.518) 9.295 2.881 ( 0.000 9.281 0.518) 9.295 2.917 ( 0.000 8.185 -1.897) 8.402 2.917 ( 0.000 8.185 1.897) 8.402 2.941 ( 0.000 7.446 -4.667) 8.788 2.941 ( 0.000 7.446 4.667) 8.788 3.044 ( 0.000 0.005 -1.291) 1.291 3.044 ( 0.000 0.005 1.291) 1.291 3.131 ( 0.000 6.085 -1.650) 6.305 3.131 ( 0.000 6.085 1.650) 6.305 3.221 ( 0.000 11.652 -0.933) 11.689 3.221 ( 0.000 11.652 0.933) 11.689 3.288 ( 0.000 6.831 -0.642) 6.861 3.288 ( 0.000 6.831 0.642) 6.861 3.376 ( 0.000 3.252 -1.796) 3.715 3.376 ( 0.000 3.252 1.796) 3.715 3.415 ( 0.000 16.384 -5.325) 17.227 3.415 ( 0.000 16.384 5.325) 17.227 3.543 ( 0.000 9.266 -1.689) 9.418 3.543 ( 0.000 9.266 1.689) 9.418 3.617 ( 0.000 14.799 -0.943) 14.829 3.617 ( 0.000 14.799 0.943) 14.829 3.663 ( 0.000 9.657 -0.816) 9.692 3.663 ( 0.000 9.657 0.816) 9.692 3.779 ( 0.000 11.142 -1.581) 11.254 3.779 ( 0.000 11.142 1.581) 11.254 3.853 ( 0.000 12.492 -2.341) 12.710 3.853 ( 0.000 12.492 2.341) 12.710 3.870 ( 0.000 3.039 -1.968) 3.620 3.870 ( 0.000 3.039 1.968) 3.620 3.953 ( 0.000 0.254 -0.019) 0.254 3.953 ( 0.000 0.254 0.019) 0.254 3.982 ( 0.000 12.191 -1.109) 12.241 3.982 ( 0.000 12.191 1.109) 12.241 4.115 ( 0.000 -3.308 -2.757) 4.306 4.115 ( 0.000 -3.308 2.757) 4.306 4.235 ( 0.000 -6.995 -1.985) 7.271 4.235 ( 0.000 -6.995 1.985) 7.271 4.437 ( 0.000 -3.738 -2.326) 4.402 4.437 ( 0.000 -3.738 2.326) 4.402 4.503 ( 0.000 -4.255 -0.726) 4.316 4.503 ( 0.000 -4.255 0.726) 4.316 4.964 ( 0.000 -0.531 -1.002) 1.134 4.964 ( 0.000 -0.531 1.002) 1.134 5.006 ( 0.000 3.056 -0.789) 3.156 5.006 ( 0.000 3.056 0.789) 3.156 5.090 ( 0.000 -0.623 -0.882) 1.080 5.090 ( 0.000 -0.623 0.882) 1.080 5.179 ( 0.000 -1.711 -0.760) 1.872 5.179 ( 0.000 -1.711 0.760) 1.872 5.585 ( 0.000 -2.409 -1.612) 2.899 5.585 ( 0.000 -2.409 1.612) 2.899 5.699 ( 0.000 8.080 -1.041) 8.147 5.699 ( 0.000 8.080 1.041) 8.147 5.715 ( 0.000 4.953 -0.523) 4.980 5.715 ( 0.000 4.953 0.523) 4.980 5.906 ( 0.000 0.645 -2.401) 2.487 5.906 ( 0.000 0.645 2.401) 2.487 5.991 ( 0.000 -0.055 -0.022) 0.059 5.991 ( 0.000 -0.055 0.022) 0.059 6.048 ( 0.000 2.777 -0.519) 2.825 6.048 ( 0.000 2.777 0.519) 2.825 6.105 ( 0.000 0.941 -0.639) 1.137 6.105 ( 0.000 0.941 0.639) 1.137 6.119 ( 0.000 1.288 -0.160) 1.298 6.119 ( 0.000 1.288 0.160) 1.298 6.177 ( 0.000 0.254 -0.753) 0.795 6.177 ( 0.000 0.254 0.753) 0.795 6.202 ( 0.000 -3.714 -1.460) 3.990 6.202 ( 0.000 -3.714 1.460) 3.990 6.332 ( 0.000 -1.567 -3.940) 4.240 6.332 ( 0.000 -1.567 3.940) 4.240 6.439 ( 0.000 0.082 -1.620) 1.622 6.439 ( 0.000 0.082 1.620) 1.622 6.510 ( 0.000 3.384 -3.736) 5.041 6.510 ( 0.000 3.384 3.736) 5.041 6.536 ( 0.000 0.929 -2.937) 3.080 6.536 ( 0.000 0.929 2.937) 3.080 6.576 ( 0.000 2.845 -1.648) 3.288 6.576 ( 0.000 2.845 1.648) 3.288 6.610 ( 0.000 6.699 -2.209) 7.054 6.610 ( 0.000 6.699 2.209) 7.054 6.738 ( 0.000 3.011 -2.154) 3.702 6.738 ( 0.000 3.011 2.154) 3.702 6.825 ( 0.000 4.597 -2.921) 5.446 6.825 ( 0.000 4.597 2.921) 5.446 6.856 ( 0.000 3.203 -0.350) 3.222 6.856 ( 0.000 3.203 0.350) 3.222 6.951 ( 0.000 -0.470 -3.087) 3.123 6.951 ( 0.000 -0.470 3.087) 3.123 7.013 ( 0.000 6.042 -0.202) 6.046 7.013 ( 0.000 6.042 0.202) 6.046 7.079 ( 0.000 5.926 -1.119) 6.031 7.079 ( 0.000 5.926 1.119) 6.031 7.126 ( 0.000 1.948 -1.220) 2.298 7.126 ( 0.000 1.948 1.220) 2.298 7.186 ( 0.000 -1.512 -1.578) 2.185 7.186 ( 0.000 -1.512 1.578) 2.185 7.241 ( 0.000 5.218 -2.515) 5.793 7.241 ( 0.000 5.218 2.515) 5.793 7.314 ( 0.000 0.109 -0.158) 0.192 7.314 ( 0.000 0.109 0.158) 0.192 7.412 ( 0.000 -2.871 -1.262) 3.135 7.412 ( 0.000 -2.871 1.262) 3.135 7.472 ( 0.000 3.425 -3.072) 4.601 7.472 ( 0.000 3.425 3.072) 4.601 7.511 ( 0.000 -0.890 -2.480) 2.635 7.511 ( 0.000 -0.890 2.480) 2.635 7.577 ( 0.000 1.113 -1.570) 1.924 7.577 ( 0.000 1.113 1.570) 1.924 7.711 ( 0.000 -9.663 -0.255) 9.667 7.711 ( 0.000 -9.663 0.255) 9.667 7.767 ( 0.000 -2.336 -0.918) 2.510 7.767 ( 0.000 -2.336 0.918) 2.510 7.843 ( 0.000 -4.828 -2.157) 5.288 7.843 ( 0.000 -4.828 2.157) 5.288 7.939 ( 0.000 -7.415 -0.340) 7.423 7.939 ( 0.000 -7.415 0.340) 7.423 8.061 ( 0.000 -3.820 -1.709) 4.184 8.061 ( 0.000 -3.820 1.709) 4.184 8.148 ( 0.000 -4.453 -0.535) 4.485 8.148 ( 0.000 -4.453 0.535) 4.485 8.210 ( 0.000 -5.455 -0.654) 5.494 8.210 ( 0.000 -5.455 0.654) 5.494 8.296 ( 0.000 0.196 -0.610) 0.641 8.296 ( 0.000 0.196 0.610) 0.641 8.478 ( 0.000 5.968 -2.354) 6.416 8.478 ( 0.000 5.968 2.354) 6.416 8.602 ( 0.000 0.937 -8.635) 8.685 8.602 ( 0.000 0.937 8.635) 8.685 8.808 ( 0.000 0.771 -3.666) 3.746 8.808 ( 0.000 0.771 3.666) 3.746 8.947 ( 0.000 -3.809 -2.648) 4.639 8.947 ( 0.000 -3.809 2.648) 4.639 9.054 ( 0.000 -5.364 -0.149) 5.366 9.054 ( 0.000 -5.364 0.149) 5.366 9.120 ( 0.000 -1.248 -0.258) 1.274 9.120 ( 0.000 -1.248 0.258) 1.274 9.336 ( 0.000 -9.064 -2.620) 9.435 9.336 ( 0.000 -9.064 2.620) 9.435 9.458 ( 0.000 -8.306 -1.324) 8.411 9.458 ( 0.000 -8.306 1.324) 8.411 9.657 ( 0.000 -6.093 -0.414) 6.107 9.657 ( 0.000 -6.093 0.414) 6.107 9.733 ( 0.000 -10.236 -0.176) 10.237 9.733 ( 0.000 -10.236 0.176) 10.237 ======================= Grid point 59 (22/28) ======================= q-point: ( 0.33 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 1.106 13.731 -2.022) 13.923 1.417 ( 1.106 13.731 2.022) 13.923 1.543 ( 0.975 11.830 -3.565) 12.394 1.543 ( 0.975 11.830 3.565) 12.394 1.613 ( 1.200 13.092 -3.906) 13.715 1.613 ( 1.200 13.092 3.906) 13.715 1.771 ( -3.600 6.851 -4.186) 8.799 1.771 ( -3.600 6.851 4.186) 8.799 1.811 ( -0.105 7.232 -4.247) 8.388 1.811 ( -0.105 7.232 4.247) 8.388 1.931 ( 5.196 6.400 -2.091) 8.505 1.931 ( 5.196 6.400 2.091) 8.505 2.007 ( 1.083 3.740 -0.965) 4.011 2.007 ( 1.083 3.740 0.965) 4.011 2.099 ( -1.201 4.227 -3.170) 5.419 2.099 ( -1.201 4.227 3.170) 5.419 2.165 ( -3.858 4.704 -2.557) 6.600 2.165 ( -3.858 4.704 2.557) 6.600 2.229 ( -1.424 2.371 -1.538) 3.165 2.229 ( -1.424 2.371 1.538) 3.165 2.327 ( 2.575 2.788 -3.586) 5.221 2.327 ( 2.575 2.788 3.586) 5.221 2.379 ( -2.256 3.994 -4.024) 6.102 2.379 ( -2.256 3.994 4.024) 6.102 2.454 ( 3.171 2.538 -3.057) 5.083 2.454 ( 3.171 2.538 3.057) 5.083 2.551 ( 7.083 5.908 -2.074) 9.454 2.551 ( 7.083 5.908 2.074) 9.454 2.597 ( -2.674 8.398 -1.410) 8.925 2.597 ( -2.674 8.398 1.410) 8.925 2.691 ( -1.142 5.926 -2.135) 6.401 2.691 ( -1.142 5.926 2.135) 6.401 2.793 ( -1.978 2.543 -2.081) 3.836 2.793 ( -1.978 2.543 2.081) 3.836 2.830 ( -3.787 7.342 -0.323) 8.267 2.830 ( -3.787 7.342 0.323) 8.267 2.867 ( -0.292 2.235 -0.728) 2.369 2.867 ( -0.292 2.235 0.728) 2.369 2.924 ( 0.347 13.581 -2.067) 13.742 2.924 ( 0.347 13.581 2.067) 13.742 3.012 ( -1.933 9.689 -3.507) 10.484 3.012 ( -1.933 9.689 3.507) 10.484 3.099 ( -2.985 7.212 -4.924) 9.229 3.099 ( -2.985 7.212 4.924) 9.229 3.217 ( 1.280 11.680 -2.717) 12.060 3.217 ( 1.280 11.680 2.717) 12.060 3.295 ( -0.286 7.188 -3.481) 7.992 3.295 ( -0.286 7.188 3.481) 7.992 3.428 ( 3.306 6.979 -2.355) 8.074 3.428 ( 3.306 6.979 2.355) 8.074 3.466 ( 1.903 12.559 -3.345) 13.135 3.466 ( 1.903 12.559 3.345) 13.135 3.515 ( -2.039 8.811 -0.731) 9.073 3.515 ( -2.039 8.811 0.731) 9.073 3.603 ( 0.685 11.548 -2.214) 11.778 3.603 ( 0.685 11.548 2.214) 11.778 3.694 ( 1.935 7.740 -2.186) 8.272 3.694 ( 1.935 7.740 2.186) 8.272 3.754 ( -3.325 7.877 -2.158) 8.819 3.754 ( -3.325 7.877 2.158) 8.819 3.846 ( 2.484 10.655 -1.184) 11.005 3.846 ( 2.484 10.655 1.184) 11.005 3.918 ( 0.454 7.936 -1.967) 8.189 3.918 ( 0.454 7.936 1.967) 8.189 3.967 ( 0.495 9.457 -0.663) 9.493 3.967 ( 0.495 9.457 0.663) 9.493 3.983 ( 0.654 -1.055 -0.419) 1.310 3.983 ( 0.654 -1.055 0.419) 1.310 4.101 ( -0.614 -1.191 -1.571) 2.065 4.101 ( -0.614 -1.191 1.571) 2.065 4.224 ( -0.771 -5.617 -1.331) 5.823 4.224 ( -0.771 -5.617 1.331) 5.823 4.451 ( 1.020 -3.769 -1.926) 4.353 4.451 ( 1.020 -3.769 1.926) 4.353 4.490 ( -0.974 -4.352 -1.121) 4.598 4.490 ( -0.974 -4.352 1.121) 4.598 4.959 ( -0.286 -0.265 -0.456) 0.599 4.959 ( -0.286 -0.265 0.456) 0.599 4.994 ( -0.695 2.714 -0.397) 2.829 4.994 ( -0.695 2.714 0.397) 2.829 5.092 ( 0.131 -0.975 -0.465) 1.088 5.092 ( 0.131 -0.975 0.465) 1.088 5.192 ( 0.690 -1.580 -0.382) 1.766 5.192 ( 0.690 -1.580 0.382) 1.766 5.584 ( -0.051 -2.126 -0.790) 2.269 5.584 ( -0.051 -2.126 0.790) 2.269 5.710 ( 0.562 6.587 -0.666) 6.645 5.710 ( 0.562 6.587 0.666) 6.645 5.721 ( 0.403 6.615 -0.298) 6.634 5.721 ( 0.403 6.615 0.298) 6.634 5.887 ( -1.033 1.039 -1.122) 1.845 5.887 ( -1.033 1.039 1.122) 1.845 5.979 ( -0.541 1.328 -0.956) 1.724 5.979 ( -0.541 1.328 0.956) 1.724 6.063 ( 0.687 1.085 -0.946) 1.595 6.063 ( 0.687 1.085 0.946) 1.595 6.092 ( -0.552 1.877 -1.077) 2.233 6.092 ( -0.552 1.877 1.077) 2.233 6.152 ( 1.351 0.449 -1.355) 1.966 6.152 ( 1.351 0.449 1.355) 1.966 6.160 ( -0.337 -0.449 -0.743) 0.931 6.160 ( -0.337 -0.449 0.743) 0.931 6.192 ( -0.725 -2.478 -1.144) 2.824 6.192 ( -0.725 -2.478 1.144) 2.824 6.317 ( -1.382 -1.560 -1.954) 2.857 6.317 ( -1.382 -1.560 1.954) 2.857 6.441 ( 0.225 -3.356 -0.886) 3.479 6.441 ( 0.225 -3.356 0.886) 3.479 6.511 ( 0.877 4.610 -0.903) 4.779 6.511 ( 0.877 4.610 0.903) 4.779 6.529 ( -0.281 3.682 -0.637) 3.747 6.529 ( -0.281 3.682 0.637) 3.747 6.576 ( 0.015 4.993 -1.895) 5.341 6.576 ( 0.015 4.993 1.895) 5.341 6.626 ( -0.021 6.002 -2.354) 6.447 6.626 ( -0.021 6.002 2.354) 6.447 6.742 ( -0.102 2.675 -0.337) 2.699 6.742 ( -0.102 2.675 0.337) 2.699 6.827 ( -0.751 1.180 -0.900) 1.663 6.827 ( -0.751 1.180 0.900) 1.663 6.856 ( 3.143 5.303 -3.533) 7.105 6.856 ( 3.143 5.303 3.533) 7.105 6.957 ( -3.627 4.022 -1.251) 5.559 6.957 ( -3.627 4.022 1.251) 5.559 7.030 ( 1.994 0.811 -1.481) 2.613 7.030 ( 1.994 0.811 1.481) 2.613 7.078 ( 1.007 3.315 -1.518) 3.782 7.078 ( 1.007 3.315 1.518) 3.782 7.135 ( 2.584 2.150 -1.406) 3.644 7.135 ( 2.584 2.150 1.406) 3.644 7.202 ( -0.555 2.281 -1.376) 2.721 7.202 ( -0.555 2.281 1.376) 2.721 7.224 ( -0.093 1.558 -1.532) 2.187 7.224 ( -0.093 1.558 1.532) 2.187 7.303 ( -2.705 -1.680 -0.868) 3.301 7.303 ( -2.705 -1.680 0.868) 3.301 7.409 ( -0.040 0.942 -0.610) 1.123 7.409 ( -0.040 0.942 0.610) 1.123 7.473 ( 0.501 2.344 -2.290) 3.315 7.473 ( 0.501 2.344 2.290) 3.315 7.501 ( -0.336 -3.252 -1.093) 3.448 7.501 ( -0.336 -3.252 1.093) 3.448 7.583 ( 0.395 0.603 -2.260) 2.372 7.583 ( 0.395 0.603 2.260) 2.372 7.717 ( 1.334 -4.855 -1.360) 5.216 7.717 ( 1.334 -4.855 1.360) 5.216 7.767 ( -2.950 -6.504 -3.607) 8.001 7.767 ( -2.950 -6.504 3.607) 8.001 7.838 ( 2.455 -2.794 -0.936) 3.836 7.838 ( 2.455 -2.794 0.936) 3.836 8.000 ( 2.910 -5.643 -1.978) 6.651 8.000 ( 2.910 -5.643 1.978) 6.651 8.067 ( 1.328 -4.363 -1.403) 4.772 8.067 ( 1.328 -4.363 1.403) 4.772 8.147 ( -3.609 -5.181 -1.293) 6.445 8.147 ( -3.609 -5.181 1.293) 6.445 8.163 ( 0.231 -5.209 -1.422) 5.404 8.163 ( 0.231 -5.209 1.422) 5.404 8.270 ( -2.114 0.883 -0.574) 2.362 8.270 ( -2.114 0.883 0.574) 2.362 8.508 ( 2.478 4.483 -3.664) 6.298 8.508 ( 2.478 4.483 3.664) 6.298 8.568 ( -2.786 1.932 -6.856) 7.648 8.568 ( -2.786 1.932 6.856) 7.648 8.852 ( 3.520 0.004 -4.707) 5.878 8.852 ( 3.520 0.004 4.707) 5.878 8.919 ( -2.482 -2.383 -4.461) 5.633 8.919 ( -2.482 -2.383 4.461) 5.633 9.049 ( -0.840 -4.177 -1.700) 4.587 9.049 ( -0.840 -4.177 1.700) 4.587 9.099 ( -0.845 -2.404 -0.734) 2.651 9.099 ( -0.845 -2.404 0.734) 2.651 9.323 ( -0.630 -8.424 -1.379) 8.559 9.323 ( -0.630 -8.424 1.379) 8.559 9.469 ( 0.574 -8.338 -0.615) 8.380 9.469 ( 0.574 -8.338 0.615) 8.380 9.678 ( 1.448 -7.558 -0.025) 7.695 9.678 ( 1.448 -7.558 0.025) 7.695 9.722 ( -0.887 -9.640 -0.213) 9.683 9.722 ( -0.887 -9.640 0.213) 9.683 ======================= Grid point 63 (23/28) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.000 9.776 -0.250) 9.780 1.650 ( 0.000 9.776 0.250) 9.780 1.721 ( 0.000 8.372 -4.028) 9.291 1.721 ( 0.000 8.372 4.028) 9.291 1.843 ( 0.000 7.821 -1.350) 7.937 1.843 ( 0.000 7.821 1.350) 7.937 1.891 ( 0.000 3.775 -1.938) 4.243 1.891 ( 0.000 3.775 1.938) 4.243 1.937 ( 0.000 9.765 -1.620) 9.898 1.937 ( 0.000 9.765 1.620) 9.898 2.009 ( 0.000 2.495 -3.621) 4.397 2.009 ( 0.000 2.495 3.621) 4.397 2.060 ( 0.000 3.770 -2.608) 4.584 2.060 ( 0.000 3.770 2.608) 4.584 2.184 ( 0.000 5.014 -2.935) 5.810 2.184 ( 0.000 5.014 2.935) 5.810 2.259 ( 0.000 -0.242 -2.029) 2.044 2.259 ( 0.000 -0.242 2.029) 2.044 2.286 ( 0.000 1.473 -1.802) 2.327 2.286 ( 0.000 1.473 1.802) 2.327 2.341 ( 0.000 1.986 -4.715) 5.116 2.341 ( 0.000 1.986 4.715) 5.116 2.451 ( 0.000 2.183 -4.476) 4.980 2.451 ( 0.000 2.183 4.476) 4.980 2.489 ( 0.000 1.006 -5.765) 5.852 2.489 ( 0.000 1.006 5.765) 5.852 2.568 ( 0.000 1.411 -1.503) 2.061 2.568 ( 0.000 1.411 1.503) 2.061 2.666 ( 0.000 0.538 -0.733) 0.909 2.666 ( 0.000 0.538 0.733) 0.909 2.737 ( 0.000 0.921 -0.020) 0.921 2.737 ( 0.000 0.921 0.020) 0.921 2.788 ( 0.000 -0.300 -2.423) 2.442 2.788 ( 0.000 -0.300 2.423) 2.442 2.890 ( 0.000 -3.238 -3.446) 4.728 2.890 ( 0.000 -3.238 3.446) 4.728 3.000 ( 0.000 0.006 -0.700) 0.700 3.000 ( 0.000 0.006 0.700) 0.700 3.043 ( 0.000 1.180 -6.676) 6.780 3.043 ( 0.000 1.180 6.676) 6.780 3.151 ( 0.000 0.371 -5.381) 5.394 3.151 ( 0.000 0.371 5.381) 5.394 3.186 ( 0.000 3.134 -1.724) 3.577 3.186 ( 0.000 3.134 1.724) 3.577 3.238 ( 0.000 -1.586 -2.258) 2.759 3.238 ( 0.000 -1.586 2.258) 2.759 3.349 ( 0.000 -2.405 -2.683) 3.603 3.349 ( 0.000 -2.405 2.683) 3.603 3.456 ( 0.000 -6.142 -3.101) 6.880 3.456 ( 0.000 -6.142 3.101) 6.880 3.505 ( 0.000 8.535 -3.295) 9.149 3.505 ( 0.000 8.535 3.295) 9.149 3.663 ( 0.000 -5.222 -1.232) 5.366 3.663 ( 0.000 -5.222 1.232) 5.366 3.698 ( 0.000 1.117 -1.681) 2.019 3.698 ( 0.000 1.117 1.681) 2.019 3.860 ( 0.000 11.581 -2.898) 11.938 3.860 ( 0.000 11.581 2.898) 11.938 3.975 ( 0.000 15.215 -2.061) 15.354 3.975 ( 0.000 15.215 2.061) 15.354 4.010 ( 0.000 5.651 -2.314) 6.106 4.010 ( 0.000 5.651 2.314) 6.106 4.075 ( 0.000 4.409 -0.564) 4.445 4.075 ( 0.000 4.409 0.564) 4.445 4.117 ( 0.000 17.627 -2.473) 17.800 4.117 ( 0.000 17.627 2.473) 17.800 4.264 ( 0.000 6.373 -2.512) 6.850 4.264 ( 0.000 6.373 2.512) 6.850 4.322 ( 0.000 20.945 -0.530) 20.951 4.322 ( 0.000 20.945 0.530) 20.951 4.355 ( 0.000 16.331 -0.481) 16.338 4.355 ( 0.000 16.331 0.481) 16.338 4.416 ( 0.000 4.646 -0.148) 4.648 4.416 ( 0.000 4.646 0.148) 4.648 4.439 ( 0.000 0.166 -0.153) 0.226 4.439 ( 0.000 0.166 0.153) 0.226 4.954 ( 0.000 0.074 -2.887) 2.888 4.954 ( 0.000 0.074 2.887) 2.888 5.064 ( 0.000 0.937 -0.479) 1.052 5.064 ( 0.000 0.937 0.479) 1.052 5.112 ( 0.000 3.759 -0.573) 3.803 5.112 ( 0.000 3.759 0.573) 3.803 5.163 ( 0.000 0.085 -0.813) 0.817 5.163 ( 0.000 0.085 0.813) 0.817 5.550 ( 0.000 -0.707 -0.646) 0.958 5.550 ( 0.000 -0.707 0.646) 0.958 5.770 ( 0.000 1.116 -0.934) 1.456 5.770 ( 0.000 1.116 0.934) 1.456 5.839 ( 0.000 5.884 -1.911) 6.187 5.839 ( 0.000 5.884 1.911) 6.187 5.934 ( 0.000 1.574 -2.791) 3.204 5.934 ( 0.000 1.574 2.791) 3.204 5.994 ( 0.000 -0.335 -1.310) 1.352 5.994 ( 0.000 -0.335 1.310) 1.352 6.064 ( 0.000 -3.732 -0.105) 3.734 6.064 ( 0.000 -3.732 0.105) 3.734 6.075 ( 0.000 -1.471 -0.661) 1.613 6.075 ( 0.000 -1.471 0.661) 1.613 6.091 ( 0.000 -4.043 -0.993) 4.163 6.091 ( 0.000 -4.043 0.993) 4.163 6.156 ( 0.000 0.623 -0.972) 1.155 6.156 ( 0.000 0.623 0.972) 1.155 6.169 ( 0.000 -0.786 -0.541) 0.954 6.169 ( 0.000 -0.786 0.541) 0.954 6.271 ( 0.000 -3.358 -3.689) 4.988 6.271 ( 0.000 -3.358 3.689) 4.988 6.436 ( 0.000 0.241 -0.509) 0.563 6.436 ( 0.000 0.241 0.509) 0.563 6.538 ( 0.000 0.491 -2.800) 2.843 6.538 ( 0.000 0.491 2.800) 2.843 6.577 ( 0.000 1.516 -0.495) 1.594 6.577 ( 0.000 1.516 0.495) 1.594 6.624 ( 0.000 1.950 -0.224) 1.963 6.624 ( 0.000 1.950 0.224) 1.963 6.729 ( 0.000 5.054 -1.901) 5.399 6.729 ( 0.000 5.054 1.901) 5.399 6.782 ( 0.000 1.448 -0.012) 1.448 6.782 ( 0.000 1.448 0.012) 1.448 6.882 ( 0.000 -0.040 -1.042) 1.043 6.882 ( 0.000 -0.040 1.042) 1.043 6.892 ( 0.000 1.056 -4.512) 4.634 6.892 ( 0.000 1.056 4.512) 4.634 6.943 ( 0.000 -0.566 -3.132) 3.183 6.943 ( 0.000 -0.566 3.132) 3.183 7.053 ( 0.000 -0.972 -1.611) 1.881 7.053 ( 0.000 -0.972 1.611) 1.881 7.143 ( 0.000 -1.755 -0.957) 1.998 7.143 ( 0.000 -1.755 0.957) 1.998 7.147 ( 0.000 0.573 -3.002) 3.056 7.147 ( 0.000 0.573 3.002) 3.056 7.202 ( 0.000 3.577 -2.075) 4.136 7.202 ( 0.000 3.577 2.075) 4.136 7.273 ( 0.000 -2.003 -2.653) 3.325 7.273 ( 0.000 -2.003 2.653) 3.325 7.329 ( 0.000 2.242 -1.300) 2.591 7.329 ( 0.000 2.242 1.300) 2.591 7.408 ( 0.000 1.489 -0.131) 1.495 7.408 ( 0.000 1.489 0.131) 1.495 7.430 ( 0.000 -5.418 -2.817) 6.106 7.430 ( 0.000 -5.418 2.817) 6.106 7.546 ( 0.000 1.941 -1.436) 2.415 7.546 ( 0.000 1.941 1.436) 2.415 7.565 ( 0.000 -2.855 -1.329) 3.149 7.565 ( 0.000 -2.855 1.329) 3.149 7.624 ( 0.000 -1.825 -0.178) 1.834 7.624 ( 0.000 -1.825 0.178) 1.834 7.645 ( 0.000 -1.139 -1.352) 1.768 7.645 ( 0.000 -1.139 1.352) 1.768 7.813 ( 0.000 0.654 -1.963) 2.069 7.813 ( 0.000 0.654 1.963) 2.069 7.876 ( 0.000 -0.458 -2.183) 2.231 7.876 ( 0.000 -0.458 2.183) 2.231 7.955 ( 0.000 -6.252 -0.208) 6.255 7.955 ( 0.000 -6.252 0.208) 6.255 8.100 ( 0.000 -2.937 -0.607) 3.000 8.100 ( 0.000 -2.937 0.607) 3.000 8.124 ( 0.000 0.491 -0.600) 0.776 8.124 ( 0.000 0.491 0.600) 0.776 8.326 ( 0.000 0.400 -0.869) 0.957 8.326 ( 0.000 0.400 0.869) 0.957 8.614 ( 0.000 4.200 -2.425) 4.850 8.614 ( 0.000 4.200 2.425) 4.850 8.629 ( 0.000 4.850 -1.607) 5.109 8.629 ( 0.000 4.850 1.607) 5.109 8.816 ( 0.000 0.126 -0.659) 0.671 8.816 ( 0.000 0.126 0.659) 0.671 8.948 ( 0.000 2.703 -1.583) 3.132 8.948 ( 0.000 2.703 1.583) 3.132 8.981 ( 0.000 -1.642 -1.781) 2.423 8.981 ( 0.000 -1.642 1.781) 2.423 9.129 ( 0.000 1.616 -1.253) 2.045 9.129 ( 0.000 1.616 1.253) 2.045 9.196 ( 0.000 -4.735 -3.666) 5.988 9.196 ( 0.000 -4.735 3.666) 5.988 9.325 ( 0.000 -5.267 -1.362) 5.440 9.325 ( 0.000 -5.267 1.362) 5.440 9.549 ( 0.000 -4.953 -0.106) 4.954 9.549 ( 0.000 -4.953 0.106) 4.954 9.563 ( 0.000 -6.851 -0.198) 6.854 9.563 ( 0.000 -6.851 0.198) 6.854 ======================= Grid point 65 (24/28) ======================= q-point: ( 0.33 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.042 9.690 -0.818) 9.725 1.647 ( 0.042 9.690 0.818) 9.725 1.728 ( 0.152 7.188 -2.021) 7.468 1.728 ( 0.152 7.188 2.021) 7.468 1.830 ( 0.065 8.419 -2.199) 8.702 1.830 ( 0.065 8.419 2.199) 8.702 1.878 ( -1.780 4.531 -2.481) 5.463 1.878 ( -1.780 4.531 2.481) 5.463 1.949 ( -0.397 6.051 -1.820) 6.331 1.949 ( -0.397 6.051 1.820) 6.331 2.043 ( 4.898 5.101 -0.540) 7.092 2.043 ( 4.898 5.101 0.540) 7.092 2.079 ( 1.193 2.989 -2.298) 3.954 2.079 ( 1.193 2.989 2.298) 3.954 2.188 ( -0.218 5.560 -2.302) 6.021 2.188 ( -0.218 5.560 2.302) 6.021 2.253 ( -1.807 1.529 -1.870) 3.017 2.253 ( -1.807 1.529 1.870) 3.017 2.264 ( -3.448 3.385 -0.195) 4.836 2.264 ( -3.448 3.385 0.195) 4.836 2.342 ( 3.520 -0.414 -1.402) 3.811 2.342 ( 3.520 -0.414 1.402) 3.811 2.430 ( -3.120 1.543 -0.952) 3.608 2.430 ( -3.120 1.543 0.952) 3.608 2.475 ( -0.240 0.389 -3.211) 3.243 2.475 ( -0.240 0.389 3.211) 3.243 2.599 ( 5.044 0.323 -3.947) 6.413 2.599 ( 5.044 0.323 3.947) 6.413 2.680 ( -3.641 0.913 -0.778) 3.834 2.680 ( -3.641 0.913 0.778) 3.834 2.764 ( 2.383 -0.771 -3.814) 4.562 2.764 ( 2.383 -0.771 3.814) 4.562 2.781 ( 0.199 2.199 -2.354) 3.227 2.781 ( 0.199 2.199 2.354) 3.227 2.863 ( -0.554 -0.874 -0.548) 1.171 2.863 ( -0.554 -0.874 0.548) 1.171 2.948 ( -3.384 1.376 -1.099) 3.815 2.948 ( -3.384 1.376 1.099) 3.815 3.080 ( 1.738 3.706 -1.442) 4.340 3.080 ( 1.738 3.706 1.442) 4.340 3.118 ( -1.347 -1.246 -1.423) 2.322 3.118 ( -1.347 -1.246 1.423) 2.322 3.232 ( 1.759 5.045 -2.184) 5.772 3.232 ( 1.759 5.045 2.184) 5.772 3.275 ( 3.457 -4.709 -2.677) 6.426 3.275 ( 3.457 -4.709 2.677) 6.426 3.337 ( -1.410 -2.795 -2.451) 3.976 3.337 ( -1.410 -2.795 2.451) 3.976 3.426 ( -1.840 -9.446 -3.082) 10.105 3.426 ( -1.840 -9.446 3.082) 10.105 3.481 ( -2.107 8.211 -1.943) 8.697 3.481 ( -2.107 8.211 1.943) 8.697 3.653 ( -0.115 -5.450 -0.515) 5.475 3.653 ( -0.115 -5.450 0.515) 5.475 3.685 ( -0.833 1.464 -0.958) 1.938 3.685 ( -0.833 1.464 0.958) 1.938 3.852 ( -0.365 12.450 -1.376) 12.531 3.852 ( -0.365 12.450 1.376) 12.531 3.943 ( -0.976 13.604 -0.390) 13.645 3.943 ( -0.976 13.604 0.390) 13.645 4.035 ( 1.145 6.655 -1.439) 6.905 4.035 ( 1.145 6.655 1.439) 6.905 4.123 ( 1.392 6.205 -1.613) 6.560 4.123 ( 1.392 6.205 1.613) 6.560 4.166 ( 4.000 13.981 -0.589) 14.554 4.166 ( 4.000 13.981 0.589) 14.554 4.274 ( 0.501 11.406 -1.517) 11.518 4.274 ( 0.501 11.406 1.517) 11.518 4.306 ( -0.947 20.225 -0.593) 20.256 4.306 ( -0.947 20.225 0.593) 20.256 4.339 ( -1.100 16.620 -0.256) 16.658 4.339 ( -1.100 16.620 0.256) 16.658 4.410 ( -0.489 2.304 -0.592) 2.429 4.410 ( -0.489 2.304 0.592) 2.429 4.431 ( -0.465 0.980 -0.234) 1.110 4.431 ( -0.465 0.980 0.234) 1.110 4.959 ( 0.411 0.470 -1.611) 1.728 4.959 ( 0.411 0.470 1.611) 1.728 5.047 ( -1.286 1.782 -1.081) 2.449 5.047 ( -1.286 1.782 1.081) 2.449 5.096 ( -0.488 1.461 -0.303) 1.570 5.096 ( -0.488 1.461 0.303) 1.570 5.179 ( 0.713 0.554 -0.218) 0.929 5.179 ( 0.713 0.554 0.218) 0.929 5.553 ( 0.178 -0.615 -0.383) 0.746 5.553 ( 0.178 -0.615 0.383) 0.746 5.775 ( 0.286 1.389 -0.532) 1.514 5.775 ( 0.286 1.389 0.532) 1.514 5.843 ( 0.158 4.892 -1.183) 5.035 5.843 ( 0.158 4.892 1.183) 5.035 5.940 ( 0.557 3.451 -0.847) 3.597 5.940 ( 0.557 3.451 0.847) 3.597 6.002 ( 0.651 0.247 -0.745) 1.019 6.002 ( 0.651 0.247 0.745) 1.019 6.043 ( -1.401 -3.206 -0.471) 3.530 6.043 ( -1.401 -3.206 0.471) 3.530 6.075 ( -0.416 -3.830 -0.919) 3.960 6.075 ( -0.416 -3.830 0.919) 3.960 6.095 ( 0.860 -3.690 -1.333) 4.017 6.095 ( 0.860 -3.690 1.333) 4.017 6.150 ( -0.692 -0.251 -1.238) 1.441 6.150 ( -0.692 -0.251 1.238) 1.441 6.165 ( -0.481 -0.369 -1.069) 1.229 6.165 ( -0.481 -0.369 1.069) 1.229 6.298 ( 2.742 -0.965 -1.798) 3.418 6.298 ( 2.742 -0.965 1.798) 3.418 6.388 ( -3.555 -0.959 -1.403) 3.940 6.388 ( -3.555 -0.959 1.403) 3.940 6.561 ( 1.532 0.811 -1.179) 2.096 6.561 ( 1.532 0.811 1.179) 2.096 6.582 ( 0.202 1.404 -0.704) 1.583 6.582 ( 0.202 1.404 0.704) 1.583 6.652 ( 1.743 2.686 -0.892) 3.324 6.652 ( 1.743 2.686 0.892) 3.324 6.722 ( -0.890 3.521 -1.916) 4.106 6.722 ( -0.890 3.521 1.916) 4.106 6.786 ( 0.014 1.838 -0.399) 1.881 6.786 ( 0.014 1.838 0.399) 1.881 6.846 ( -1.378 0.907 -1.697) 2.367 6.846 ( -1.378 0.907 1.697) 2.367 6.917 ( 2.470 0.433 -3.111) 3.996 6.917 ( 2.470 0.433 3.111) 3.996 6.970 ( -0.307 -2.046 -2.101) 2.948 6.970 ( -0.307 -2.046 2.101) 2.948 7.034 ( 0.205 -0.560 -2.386) 2.459 7.034 ( 0.205 -0.560 2.386) 2.459 7.100 ( -2.979 -1.952 -2.896) 4.590 7.100 ( -2.979 -1.952 2.896) 4.590 7.154 ( 0.961 0.306 -1.624) 1.912 7.154 ( 0.961 0.306 1.624) 1.912 7.211 ( -1.135 -0.181 -2.363) 2.627 7.211 ( -1.135 -0.181 2.363) 2.627 7.275 ( 0.890 1.093 -1.687) 2.198 7.275 ( 0.890 1.093 1.687) 2.198 7.308 ( -0.921 1.914 -2.010) 2.924 7.308 ( -0.921 1.914 2.010) 2.924 7.406 ( -0.142 -1.422 -0.261) 1.453 7.406 ( -0.142 -1.422 0.261) 1.453 7.434 ( -0.033 -0.683 -1.479) 1.629 7.434 ( -0.033 -0.683 1.479) 1.629 7.538 ( -0.534 2.438 -1.429) 2.876 7.538 ( -0.534 2.438 1.429) 2.876 7.581 ( 1.227 -3.629 -0.689) 3.893 7.581 ( 1.227 -3.629 0.689) 3.893 7.607 ( -1.043 -2.907 -0.591) 3.144 7.607 ( -1.043 -2.907 0.591) 3.144 7.653 ( 0.158 -0.470 -1.465) 1.547 7.653 ( 0.158 -0.470 1.465) 1.547 7.847 ( 3.267 0.921 -3.438) 4.831 7.847 ( 3.267 0.921 3.438) 4.831 7.921 ( 0.962 -2.249 -3.846) 4.558 7.921 ( 0.962 -2.249 3.846) 4.558 7.949 ( 0.513 -5.929 -1.834) 6.228 7.949 ( 0.513 -5.929 1.834) 6.228 8.064 ( -2.784 -1.351 -0.603) 3.153 8.064 ( -2.784 -1.351 0.603) 3.153 8.141 ( 2.080 0.571 -1.260) 2.498 8.141 ( 2.080 0.571 1.260) 2.498 8.293 ( -2.705 0.023 -0.299) 2.721 8.293 ( -2.705 0.023 0.299) 2.721 8.614 ( -0.623 3.670 -1.795) 4.132 8.614 ( -0.623 3.670 1.795) 4.132 8.621 ( 0.253 5.255 -0.623) 5.298 8.621 ( 0.253 5.255 0.623) 5.298 8.853 ( 3.048 0.350 -2.514) 3.967 8.853 ( 3.048 0.350 2.514) 3.967 8.915 ( -2.471 0.949 -3.962) 4.765 8.915 ( -2.471 0.949 3.962) 4.765 9.014 ( 2.164 0.628 -3.925) 4.526 9.014 ( 2.164 0.628 3.925) 4.526 9.085 ( -3.045 0.531 -2.005) 3.684 9.085 ( -3.045 0.531 2.005) 3.684 9.199 ( 0.087 -3.661 -1.754) 4.060 9.199 ( 0.087 -3.661 1.754) 4.060 9.332 ( 0.387 -5.475 -0.855) 5.555 9.332 ( 0.387 -5.475 0.855) 5.555 9.548 ( -0.002 -5.740 -0.081) 5.740 9.548 ( -0.002 -5.740 0.081) 5.740 9.567 ( 0.207 -6.056 -0.112) 6.061 9.567 ( 0.207 -6.056 0.112) 6.061 ======================= Grid point 69 (25/28) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 0.000 5.779 -0.055) 5.780 1.797 ( 0.000 5.779 0.055) 5.780 1.836 ( 0.000 3.572 -1.441) 3.852 1.836 ( 0.000 3.572 1.441) 3.852 1.934 ( 0.000 2.166 -0.248) 2.180 1.934 ( 0.000 2.166 0.248) 2.180 1.956 ( 0.000 2.923 -0.816) 3.035 1.956 ( 0.000 2.923 0.816) 3.035 2.044 ( 0.000 2.537 -3.790) 4.561 2.044 ( 0.000 2.537 3.790) 4.561 2.103 ( 0.000 3.550 -0.851) 3.650 2.103 ( 0.000 3.550 0.851) 3.651 2.115 ( 0.000 1.998 -0.020) 1.998 2.115 ( 0.000 1.998 0.020) 1.998 2.227 ( 0.000 -1.059 -1.289) 1.668 2.227 ( 0.000 -1.059 1.289) 1.668 2.263 ( 0.000 0.202 -2.179) 2.188 2.263 ( 0.000 0.202 2.179) 2.188 2.287 ( 0.000 -0.859 -0.615) 1.057 2.287 ( 0.000 -0.859 0.615) 1.057 2.367 ( 0.000 2.216 -4.253) 4.796 2.367 ( 0.000 2.216 4.253) 4.796 2.506 ( 0.000 3.530 -2.434) 4.288 2.506 ( 0.000 3.530 2.434) 4.288 2.512 ( 0.000 2.998 -0.237) 3.008 2.512 ( 0.000 2.998 0.237) 3.008 2.607 ( 0.000 3.064 -0.545) 3.112 2.607 ( 0.000 3.064 0.545) 3.112 2.661 ( 0.000 -1.297 -0.645) 1.448 2.661 ( 0.000 -1.297 0.645) 1.448 2.750 ( 0.000 0.780 -0.561) 0.961 2.750 ( 0.000 0.780 0.561) 0.961 2.760 ( 0.000 -2.021 -0.504) 2.083 2.760 ( 0.000 -2.021 0.504) 2.083 2.846 ( 0.000 -2.207 -1.403) 2.615 2.846 ( 0.000 -2.207 1.403) 2.615 2.938 ( 0.000 -4.190 -1.747) 4.540 2.938 ( 0.000 -4.190 1.747) 4.540 3.010 ( 0.000 -5.181 -6.463) 8.283 3.010 ( 0.000 -5.181 6.463) 8.283 3.079 ( 0.000 -2.979 -2.961) 4.201 3.079 ( 0.000 -2.979 2.961) 4.201 3.109 ( 0.000 -5.936 -5.987) 8.431 3.109 ( 0.000 -5.936 5.987) 8.431 3.235 ( 0.000 -5.595 -3.090) 6.392 3.235 ( 0.000 -5.595 3.090) 6.392 3.255 ( 0.000 -8.006 -3.008) 8.552 3.255 ( 0.000 -8.006 3.008) 8.552 3.399 ( 0.000 3.210 -2.682) 4.183 3.399 ( 0.000 3.210 2.682) 4.183 3.545 ( 0.000 -1.741 -1.849) 2.540 3.545 ( 0.000 -1.741 1.849) 2.540 3.651 ( 0.000 5.147 -2.919) 5.917 3.651 ( 0.000 5.147 2.919) 5.917 3.789 ( 0.000 4.276 -0.272) 4.284 3.789 ( 0.000 4.276 0.272) 4.284 4.012 ( 0.000 4.884 -3.141) 5.807 4.012 ( 0.000 4.884 3.141) 5.807 4.131 ( 0.000 3.296 -0.919) 3.421 4.131 ( 0.000 3.296 0.919) 3.421 4.145 ( 0.000 6.928 -0.462) 6.944 4.145 ( 0.000 6.928 0.462) 6.944 4.225 ( 0.000 8.467 -0.973) 8.523 4.225 ( 0.000 8.467 0.973) 8.523 4.293 ( 0.000 0.069 -3.535) 3.535 4.293 ( 0.000 0.069 3.535) 3.535 4.363 ( 0.000 1.558 -1.874) 2.437 4.363 ( 0.000 1.558 1.874) 2.437 4.501 ( 0.000 12.895 -2.018) 13.052 4.501 ( 0.000 12.895 2.018) 13.052 4.593 ( 0.000 10.089 -0.283) 10.093 4.593 ( 0.000 10.089 0.283) 10.093 4.666 ( 0.000 13.421 -2.012) 13.571 4.666 ( 0.000 13.421 2.012) 13.571 4.692 ( 0.000 12.088 -1.212) 12.149 4.692 ( 0.000 12.088 1.212) 12.149 4.970 ( 0.000 1.519 -2.461) 2.892 4.970 ( 0.000 1.519 2.461) 2.892 5.068 ( 0.000 0.025 -0.620) 0.621 5.068 ( 0.000 0.025 0.620) 0.621 5.170 ( 0.000 1.385 -0.942) 1.675 5.170 ( 0.000 1.385 0.942) 1.675 5.195 ( 0.000 2.942 -1.316) 3.223 5.195 ( 0.000 2.942 1.316) 3.223 5.573 ( 0.000 3.195 -1.456) 3.511 5.573 ( 0.000 3.195 1.456) 3.511 5.773 ( 0.000 -0.788 -1.366) 1.577 5.773 ( 0.000 -0.788 1.366) 1.577 5.902 ( 0.000 -4.294 -1.719) 4.625 5.902 ( 0.000 -4.294 1.719) 4.625 5.916 ( 0.000 -2.197 -2.834) 3.586 5.916 ( 0.000 -2.197 2.834) 3.586 5.947 ( 0.000 -0.972 -0.090) 0.976 5.947 ( 0.000 -0.972 0.090) 0.976 5.984 ( 0.000 -1.518 -1.541) 2.163 5.984 ( 0.000 -1.518 1.541) 2.163 6.024 ( 0.000 -2.154 -0.214) 2.165 6.024 ( 0.000 -2.154 0.214) 2.165 6.094 ( 0.000 1.915 -0.605) 2.008 6.094 ( 0.000 1.915 0.605) 2.008 6.144 ( 0.000 -0.780 -0.753) 1.085 6.144 ( 0.000 -0.780 0.753) 1.085 6.176 ( 0.000 -0.065 -1.478) 1.479 6.176 ( 0.000 -0.065 1.478) 1.479 6.245 ( 0.000 0.852 -0.272) 0.894 6.245 ( 0.000 0.852 0.272) 0.894 6.433 ( 0.000 -0.533 -1.006) 1.139 6.433 ( 0.000 -0.533 1.006) 1.139 6.534 ( 0.000 -0.814 -2.186) 2.332 6.534 ( 0.000 -0.814 2.186) 2.332 6.585 ( 0.000 -0.413 -0.364) 0.550 6.585 ( 0.000 -0.413 0.364) 0.550 6.657 ( 0.000 1.112 -0.583) 1.256 6.657 ( 0.000 1.112 0.583) 1.256 6.779 ( 0.000 -0.433 -0.360) 0.563 6.779 ( 0.000 -0.433 0.360) 0.563 6.806 ( 0.000 1.486 -0.045) 1.487 6.806 ( 0.000 1.486 0.045) 1.487 6.849 ( 0.000 -2.059 -1.081) 2.326 6.849 ( 0.000 -2.059 1.081) 2.326 6.905 ( 0.000 -1.650 -0.748) 1.812 6.905 ( 0.000 -1.650 0.748) 1.812 6.919 ( 0.000 0.690 -1.889) 2.011 6.919 ( 0.000 0.690 1.889) 2.011 7.023 ( 0.000 -1.334 -1.649) 2.122 7.023 ( 0.000 -1.334 1.649) 2.122 7.076 ( 0.000 -4.330 -0.324) 4.342 7.076 ( 0.000 -4.330 0.324) 4.342 7.164 ( 0.000 1.148 -1.441) 1.843 7.164 ( 0.000 1.148 1.441) 1.843 7.214 ( 0.000 -2.091 -2.198) 3.034 7.214 ( 0.000 -2.091 2.198) 3.034 7.274 ( 0.000 -2.546 -0.158) 2.551 7.274 ( 0.000 -2.546 0.158) 2.551 7.276 ( 0.000 -0.779 -2.580) 2.695 7.276 ( 0.000 -0.778 2.580) 2.695 7.373 ( 0.000 0.932 -0.218) 0.957 7.373 ( 0.000 0.932 0.218) 0.957 7.497 ( 0.000 3.838 -1.414) 4.090 7.497 ( 0.000 3.838 1.414) 4.090 7.517 ( 0.000 -1.040 -0.469) 1.141 7.517 ( 0.000 -1.040 0.469) 1.141 7.542 ( 0.000 -0.325 -0.278) 0.427 7.542 ( 0.000 -0.325 0.278) 0.427 7.637 ( 0.000 1.908 -0.094) 1.910 7.637 ( 0.000 1.908 0.094) 1.910 7.686 ( 0.000 2.211 -0.506) 2.268 7.686 ( 0.000 2.211 0.506) 2.268 7.830 ( 0.000 -0.240 -4.095) 4.102 7.830 ( 0.000 -0.240 4.095) 4.102 7.870 ( 0.000 -0.871 -4.396) 4.482 7.870 ( 0.000 -0.871 4.396) 4.482 7.893 ( 0.000 1.301 -2.302) 2.644 7.893 ( 0.000 1.301 2.302) 2.644 8.067 ( 0.000 -0.418 -0.370) 0.558 8.067 ( 0.000 -0.418 0.370) 0.558 8.149 ( 0.000 1.399 -0.003) 1.399 8.149 ( 0.000 1.399 0.003) 1.399 8.297 ( 0.000 -3.014 -0.871) 3.137 8.297 ( 0.000 -3.014 0.871) 3.137 8.654 ( 0.000 1.882 -1.188) 2.226 8.654 ( 0.000 1.882 1.188) 2.226 8.759 ( 0.000 5.938 -0.692) 5.978 8.759 ( 0.000 5.938 0.692) 5.978 8.827 ( 0.000 0.899 -0.653) 1.111 8.827 ( 0.000 0.899 0.653) 1.111 8.954 ( 0.000 -0.069 -2.154) 2.155 8.954 ( 0.000 -0.069 2.154) 2.155 9.030 ( 0.000 3.311 -2.518) 4.160 9.030 ( 0.000 3.311 2.518) 4.160 9.121 ( 0.000 -1.217 -1.451) 1.894 9.121 ( 0.000 -1.217 1.451) 1.894 9.198 ( 0.000 2.875 -0.034) 2.875 9.198 ( 0.000 2.875 0.034) 2.875 9.259 ( 0.000 -1.411 -0.760) 1.603 9.259 ( 0.000 -1.411 0.760) 1.603 9.460 ( 0.000 -3.407 -0.154) 3.410 9.460 ( 0.000 -3.407 0.154) 3.410 9.475 ( 0.000 -2.972 -0.231) 2.981 9.475 ( 0.000 -2.972 0.231) 2.981 ======================= Grid point 71 (26/28) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -0.190 5.479 -0.430) 5.499 1.793 ( -0.190 5.479 0.430) 5.499 1.832 ( -0.259 3.803 -0.604) 3.859 1.832 ( -0.259 3.803 0.604) 3.859 1.937 ( 0.433 2.999 -1.814) 3.532 1.937 ( 0.433 2.999 1.814) 3.532 1.950 ( -0.588 2.916 -2.106) 3.644 1.950 ( -0.588 2.916 2.106) 3.644 2.039 ( -0.237 3.052 -1.533) 3.424 2.039 ( -0.237 3.052 1.533) 3.424 2.106 ( 0.994 1.440 -1.413) 2.249 2.106 ( 0.994 1.440 1.413) 2.249 2.126 ( -0.239 1.331 -1.448) 1.982 2.126 ( -0.239 1.331 1.448) 1.982 2.238 ( 0.515 -1.172 -0.432) 1.351 2.238 ( 0.515 -1.172 0.432) 1.351 2.256 ( -0.093 -0.863 -0.624) 1.069 2.256 ( -0.093 -0.863 0.624) 1.069 2.298 ( 0.545 -1.461 -0.527) 1.646 2.298 ( 0.545 -1.461 0.527) 1.646 2.370 ( 0.572 5.275 -1.375) 5.481 2.370 ( 0.572 5.275 1.375) 5.481 2.489 ( -2.013 4.195 -0.597) 4.691 2.489 ( -2.013 4.195 0.597) 4.691 2.505 ( -0.082 3.934 -1.418) 4.182 2.505 ( -0.082 3.934 1.418) 4.182 2.609 ( 2.558 1.115 -3.375) 4.379 2.609 ( 2.558 1.115 3.375) 4.379 2.670 ( -2.247 -0.808 -2.560) 3.501 2.670 ( -2.247 -0.808 2.560) 3.501 2.756 ( 0.328 -0.119 -2.084) 2.113 2.756 ( 0.328 -0.119 2.084) 2.113 2.799 ( 3.389 -1.299 -0.941) 3.749 2.799 ( 3.389 -1.299 0.941) 3.749 2.825 ( -1.537 -1.939 -0.426) 2.511 2.825 ( -1.537 -1.939 0.426) 2.511 2.937 ( 0.723 -1.582 -1.286) 2.163 2.937 ( 0.723 -1.582 1.286) 2.163 3.038 ( -1.098 -5.413 -3.431) 6.503 3.038 ( -1.098 -5.413 3.431) 6.503 3.079 ( 3.711 -4.308 -1.307) 5.834 3.079 ( 3.711 -4.308 1.307) 5.834 3.125 ( 0.860 -6.205 -3.113) 6.995 3.125 ( 0.860 -6.205 3.113) 6.995 3.190 ( -2.756 -6.535 -1.495) 7.248 3.190 ( -2.756 -6.535 1.495) 7.248 3.222 ( -3.959 -8.889 -1.669) 9.873 3.222 ( -3.959 -8.889 1.669) 9.873 3.402 ( 1.016 4.514 -1.315) 4.811 3.402 ( 1.016 4.514 1.315) 4.811 3.526 ( -1.757 -1.424 -1.266) 2.592 3.526 ( -1.757 -1.424 1.266) 2.592 3.665 ( 1.486 5.407 -1.306) 5.758 3.665 ( 1.486 5.407 1.306) 5.758 3.755 ( -2.278 3.837 -0.438) 4.483 3.755 ( -2.278 3.837 0.438) 4.483 4.013 ( 0.036 5.230 -1.650) 5.484 4.013 ( 0.036 5.230 1.650) 5.484 4.112 ( -0.848 2.368 -1.131) 2.758 4.112 ( -0.848 2.368 1.131) 2.758 4.181 ( 3.036 7.358 -0.765) 7.996 4.181 ( 3.036 7.358 0.765) 7.996 4.231 ( -0.955 8.405 -1.261) 8.552 4.231 ( -0.955 8.405 1.261) 8.552 4.320 ( 2.037 -0.012 -2.316) 3.084 4.320 ( 2.037 -0.012 2.316) 3.084 4.351 ( -0.969 0.019 -1.631) 1.898 4.351 ( -0.969 0.019 1.631) 1.898 4.533 ( 2.119 12.917 -1.755) 13.206 4.533 ( 2.119 12.917 1.755) 13.206 4.590 ( -0.699 11.179 -0.329) 11.206 4.590 ( -0.699 11.179 0.329) 11.206 4.665 ( 0.520 13.885 -2.210) 14.070 4.665 ( 0.520 13.885 2.210) 14.070 4.687 ( -0.649 12.904 -1.258) 12.981 4.687 ( -0.649 12.904 1.258) 12.981 4.978 ( 0.735 1.354 -1.663) 2.267 4.978 ( 0.735 1.354 1.663) 2.267 5.057 ( -1.181 -0.373 -1.204) 1.727 5.057 ( -1.181 -0.373 1.204) 1.727 5.138 ( -1.392 2.423 -0.282) 2.809 5.138 ( -1.392 2.423 0.282) 2.809 5.206 ( 0.258 1.439 -0.496) 1.544 5.206 ( 0.258 1.439 0.496) 1.544 5.575 ( 0.112 3.012 -0.753) 3.107 5.575 ( 0.112 3.012 0.753) 3.107 5.788 ( 0.971 -0.305 -0.756) 1.268 5.788 ( 0.971 -0.305 0.756) 1.268 5.881 ( -1.026 -2.456 -1.549) 3.080 5.881 ( -1.026 -2.456 1.549) 3.080 5.918 ( 0.311 -5.022 -0.415) 5.048 5.918 ( 0.311 -5.022 0.415) 5.048 5.962 ( 0.204 -1.501 -0.716) 1.675 5.962 ( 0.204 -1.501 0.716) 1.675 5.985 ( -0.324 -2.861 -0.705) 2.964 5.985 ( -0.324 -2.861 0.705) 2.964 6.038 ( 1.856 0.832 -1.203) 2.363 6.038 ( 1.856 0.832 1.203) 2.363 6.084 ( -1.165 1.881 -0.638) 2.303 6.084 ( -1.165 1.881 0.638) 2.303 6.144 ( 0.253 -0.473 -0.643) 0.837 6.144 ( 0.253 -0.473 0.643) 0.837 6.167 ( -0.648 0.500 -1.598) 1.796 6.167 ( -0.648 0.500 1.598) 1.796 6.288 ( 3.815 0.137 -1.806) 4.223 6.288 ( 3.815 0.137 1.806) 4.223 6.380 ( -4.380 -0.409 -2.250) 4.941 6.380 ( -4.380 -0.409 2.250) 4.941 6.557 ( 1.513 -0.934 -2.081) 2.737 6.557 ( 1.513 -0.934 2.081) 2.737 6.583 ( -0.289 -0.931 -1.757) 2.010 6.583 ( -0.289 -0.931 1.757) 2.010 6.691 ( 2.905 1.472 -0.711) 3.334 6.691 ( 2.905 1.472 0.711) 3.334 6.766 ( -2.193 0.901 -0.518) 2.427 6.766 ( -2.193 0.901 0.518) 2.427 6.803 ( -0.329 0.192 -0.624) 0.731 6.803 ( -0.329 0.192 0.624) 0.731 6.845 ( 1.040 -1.550 -0.582) 1.956 6.845 ( 1.040 -1.550 0.582) 1.956 6.907 ( 0.183 -0.875 -1.578) 1.814 6.907 ( 0.183 -0.875 1.578) 1.814 6.920 ( -0.279 -1.431 -0.226) 1.476 6.920 ( -0.279 -1.431 0.226) 1.476 7.007 ( -0.932 -1.742 -1.079) 2.251 7.007 ( -0.932 -1.742 1.079) 2.251 7.030 ( -3.209 -4.001 -1.777) 5.428 7.030 ( -3.209 -4.001 1.777) 5.428 7.173 ( 0.555 1.193 -1.594) 2.067 7.173 ( 0.555 1.193 1.594) 2.067 7.201 ( -0.802 -1.431 -0.828) 1.837 7.201 ( -0.802 -1.431 0.828) 1.837 7.261 ( -0.051 -2.905 -1.951) 3.499 7.261 ( -0.051 -2.905 1.951) 3.499 7.277 ( -0.034 -0.969 -0.691) 1.191 7.277 ( -0.034 -0.969 0.691) 1.191 7.415 ( 2.741 1.684 -2.179) 3.886 7.415 ( 2.741 1.684 2.179) 3.886 7.479 ( -1.617 2.048 -2.879) 3.886 7.479 ( -1.617 2.048 2.879) 3.886 7.526 ( 0.312 0.480 -0.771) 0.960 7.526 ( 0.312 0.480 0.771) 0.960 7.564 ( 1.814 0.371 -1.601) 2.448 7.564 ( 1.814 0.371 1.601) 2.448 7.614 ( -2.010 1.546 -0.618) 2.610 7.614 ( -2.010 1.546 0.618) 2.610 7.667 ( -0.812 0.447 -0.709) 1.167 7.667 ( -0.812 0.447 0.709) 1.167 7.858 ( 1.990 -0.593 -2.615) 3.339 7.858 ( 1.990 -0.593 2.615) 3.339 7.880 ( -0.148 0.610 -1.162) 1.320 7.880 ( -0.148 0.610 1.162) 1.320 7.923 ( 2.132 1.239 -2.469) 3.489 7.923 ( 2.132 1.239 2.469) 3.489 8.064 ( -0.820 0.850 -1.155) 1.652 8.064 ( -0.820 0.850 1.155) 1.652 8.154 ( 1.658 0.382 -1.887) 2.541 8.154 ( 1.658 0.382 1.887) 2.541 8.260 ( -3.091 -3.149 -0.248) 4.420 8.260 ( -3.091 -3.149 0.248) 4.420 8.674 ( 1.667 2.712 -1.337) 3.453 8.674 ( 1.667 2.712 1.337) 3.453 8.721 ( -2.276 4.095 -0.295) 4.694 8.721 ( -2.276 4.095 0.295) 4.694 8.875 ( 3.142 1.768 -1.745) 4.006 8.875 ( 3.142 1.768 1.745) 4.006 8.934 ( -1.949 1.037 -2.217) 3.128 8.934 ( -1.949 1.037 2.217) 3.128 9.044 ( 1.477 1.588 -3.016) 3.714 9.044 ( 1.477 1.588 3.016) 3.714 9.088 ( -2.487 -0.312 -2.392) 3.465 9.088 ( -2.487 -0.312 2.392) 3.465 9.197 ( -0.027 2.550 -0.519) 2.602 9.197 ( -0.027 2.550 0.519) 2.602 9.266 ( 0.369 -1.272 -0.486) 1.410 9.266 ( 0.369 -1.272 0.486) 1.410 9.460 ( 0.044 -3.124 -0.064) 3.125 9.460 ( 0.044 -3.124 0.064) 3.125 9.480 ( 0.268 -3.142 -0.100) 3.155 9.480 ( 0.268 -3.142 0.100) 3.155 ======================= Grid point 75 (27/28) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 0.000 1.124 -0.032) 1.124 1.873 ( 0.000 1.124 0.032) 1.124 1.883 ( 0.000 2.186 -0.019) 2.186 1.883 ( 0.000 2.186 0.019) 2.186 1.968 ( 0.000 1.648 -0.221) 1.663 1.968 ( 0.000 1.648 0.221) 1.663 1.991 ( 0.000 0.759 -0.507) 0.913 1.991 ( 0.000 0.759 0.507) 0.913 2.061 ( 0.000 -0.047 -0.397) 0.399 2.061 ( 0.000 -0.047 0.397) 0.399 2.095 ( 0.000 -2.244 -1.445) 2.669 2.095 ( 0.000 -2.244 1.445) 2.669 2.160 ( 0.000 0.922 -0.118) 0.930 2.160 ( 0.000 0.922 0.118) 0.930 2.204 ( 0.000 0.346 -1.159) 1.209 2.204 ( 0.000 0.347 1.159) 1.209 2.227 ( 0.000 -1.650 -0.116) 1.654 2.227 ( 0.000 -1.650 0.116) 1.654 2.265 ( 0.000 -1.684 -1.002) 1.960 2.265 ( 0.000 -1.684 1.002) 1.960 2.474 ( 0.000 6.787 -0.715) 6.825 2.474 ( 0.000 6.787 0.715) 6.825 2.553 ( 0.000 0.241 -1.046) 1.074 2.553 ( 0.000 0.241 1.046) 1.074 2.585 ( 0.000 3.290 -0.751) 3.374 2.585 ( 0.000 3.290 0.751) 3.374 2.649 ( 0.000 -0.499 -0.320) 0.593 2.649 ( 0.000 -0.499 0.320) 0.593 2.659 ( 0.000 0.092 -0.116) 0.148 2.659 ( 0.000 0.092 0.116) 0.148 2.712 ( 0.000 -0.174 -0.289) 0.337 2.712 ( 0.000 -0.174 0.289) 0.337 2.769 ( 0.000 0.902 -0.960) 1.317 2.769 ( 0.000 0.902 0.960) 1.317 2.788 ( 0.000 -3.145 -2.176) 3.824 2.788 ( 0.000 -3.145 2.176) 3.824 2.872 ( 0.000 -2.453 -2.271) 3.343 2.872 ( 0.000 -2.453 2.271) 3.343 2.907 ( 0.000 -3.612 -1.512) 3.916 2.907 ( 0.000 -3.612 1.512) 3.916 3.037 ( 0.000 0.233 -0.443) 0.500 3.037 ( 0.000 0.233 0.443) 0.500 3.063 ( 0.000 -0.153 -0.255) 0.297 3.063 ( 0.000 -0.153 0.255) 0.297 3.108 ( 0.000 -5.386 -1.906) 5.713 3.108 ( 0.000 -5.386 1.906) 5.713 3.119 ( 0.000 -4.842 -1.206) 4.989 3.119 ( 0.000 -4.842 1.206) 4.989 3.450 ( 0.000 1.365 -1.153) 1.787 3.450 ( 0.000 1.365 1.153) 1.787 3.551 ( 0.000 0.768 -0.792) 1.103 3.551 ( 0.000 0.768 0.792) 1.103 3.713 ( 0.000 1.480 -0.832) 1.698 3.713 ( 0.000 1.480 0.832) 1.698 3.845 ( 0.000 1.454 -0.243) 1.474 3.845 ( 0.000 1.454 0.243) 1.474 4.074 ( 0.000 1.544 -1.155) 1.929 4.074 ( 0.000 1.544 1.155) 1.929 4.179 ( 0.000 1.366 -0.317) 1.402 4.179 ( 0.000 1.366 0.317) 1.402 4.226 ( 0.000 1.480 -0.143) 1.487 4.226 ( 0.000 1.480 0.143) 1.487 4.296 ( 0.000 1.334 -1.726) 2.181 4.296 ( 0.000 1.334 1.726) 2.181 4.304 ( 0.000 0.191 -2.605) 2.612 4.304 ( 0.000 0.191 2.605) 2.612 4.413 ( 0.000 2.504 -0.053) 2.505 4.413 ( 0.000 2.504 0.053) 2.505 4.687 ( 0.000 5.248 -2.604) 5.858 4.687 ( 0.000 5.248 2.604) 5.858 4.724 ( 0.000 3.055 -1.271) 3.308 4.724 ( 0.000 3.055 1.271) 3.308 4.837 ( 0.000 4.209 -1.403) 4.437 4.837 ( 0.000 4.209 1.403) 4.437 4.842 ( 0.000 3.510 -0.706) 3.580 4.842 ( 0.000 3.510 0.706) 3.580 5.005 ( 0.000 1.485 -0.675) 1.631 5.005 ( 0.000 1.485 0.675) 1.631 5.069 ( 0.000 0.062 -0.748) 0.750 5.069 ( 0.000 0.062 0.748) 0.750 5.191 ( 0.000 0.590 -0.193) 0.621 5.191 ( 0.000 0.590 0.193) 0.621 5.235 ( 0.000 1.075 -0.678) 1.271 5.235 ( 0.000 1.075 0.678) 1.271 5.661 ( 0.000 4.942 -0.667) 4.986 5.661 ( 0.000 4.942 0.667) 4.986 5.747 ( 0.000 -1.231 -0.583) 1.362 5.747 ( 0.000 -1.231 0.583) 1.362 5.794 ( 0.000 -4.026 -0.285) 4.036 5.794 ( 0.000 -4.026 0.285) 4.036 5.851 ( 0.000 -3.852 -0.142) 3.854 5.851 ( 0.000 -3.852 0.142) 3.854 5.947 ( 0.000 0.051 -1.395) 1.396 5.947 ( 0.000 0.051 1.395) 1.396 5.960 ( 0.000 -0.394 -0.508) 0.643 5.960 ( 0.000 -0.394 0.508) 0.643 6.026 ( 0.000 0.578 -0.297) 0.649 6.026 ( 0.000 0.578 0.297) 0.649 6.117 ( 0.000 0.497 -0.192) 0.533 6.117 ( 0.000 0.497 0.192) 0.533 6.130 ( 0.000 -0.553 -0.121) 0.566 6.130 ( 0.000 -0.553 0.121) 0.566 6.181 ( 0.000 0.454 -0.693) 0.828 6.181 ( 0.000 0.454 0.693) 0.828 6.273 ( 0.000 1.285 -0.202) 1.301 6.273 ( 0.000 1.285 0.202) 1.301 6.420 ( 0.000 -0.634 -0.771) 0.998 6.420 ( 0.000 -0.634 0.771) 0.998 6.517 ( 0.000 -0.649 -0.974) 1.171 6.517 ( 0.000 -0.649 0.974) 1.171 6.571 ( 0.000 -0.641 -0.096) 0.648 6.571 ( 0.000 -0.641 0.096) 0.649 6.666 ( 0.000 0.040 -0.377) 0.379 6.666 ( 0.000 0.040 0.377) 0.379 6.762 ( 0.000 -0.726 -0.259) 0.770 6.762 ( 0.000 -0.726 0.259) 0.770 6.809 ( 0.000 -0.032 -1.577) 1.577 6.809 ( 0.000 -0.032 1.577) 1.577 6.822 ( 0.000 -1.270 -0.216) 1.288 6.822 ( 0.000 -1.270 0.216) 1.288 6.880 ( 0.000 0.042 -1.401) 1.401 6.880 ( 0.000 0.042 1.401) 1.401 6.957 ( 0.000 2.189 -1.830) 2.853 6.957 ( 0.000 2.189 1.830) 2.853 6.998 ( 0.000 -1.677 -1.422) 2.199 6.998 ( 0.000 -1.677 1.422) 2.199 7.010 ( 0.000 -1.847 -0.153) 1.853 7.010 ( 0.000 -1.847 0.153) 1.853 7.157 ( 0.000 -1.072 -0.249) 1.100 7.157 ( 0.000 -1.072 0.249) 1.100 7.171 ( 0.000 -1.365 -0.527) 1.463 7.171 ( 0.000 -1.365 0.527) 1.463 7.254 ( 0.000 0.846 -0.929) 1.257 7.254 ( 0.000 0.846 0.929) 1.257 7.284 ( 0.000 -0.065 -0.877) 0.879 7.284 ( 0.000 -0.065 0.877) 0.879 7.392 ( 0.000 0.655 -0.182) 0.680 7.392 ( 0.000 0.655 0.182) 0.680 7.507 ( 0.000 -0.243 -0.396) 0.465 7.507 ( 0.000 -0.243 0.396) 0.465 7.540 ( 0.000 0.230 -1.690) 1.706 7.540 ( 0.000 0.230 1.690) 1.706 7.546 ( 0.000 0.881 -1.063) 1.381 7.546 ( 0.000 0.881 1.063) 1.381 7.673 ( 0.000 1.729 -0.729) 1.877 7.673 ( 0.000 1.729 0.729) 1.877 7.708 ( 0.000 -0.120 -0.317) 0.339 7.708 ( 0.000 -0.120 0.317) 0.339 7.812 ( 0.000 -0.430 -0.980) 1.070 7.812 ( 0.000 -0.430 0.980) 1.070 7.886 ( 0.000 0.750 -0.922) 1.189 7.886 ( 0.000 0.750 0.922) 1.189 7.921 ( 0.000 1.187 -0.130) 1.194 7.921 ( 0.000 1.187 0.130) 1.194 8.073 ( 0.000 0.570 -1.095) 1.234 8.073 ( 0.000 0.570 1.095) 1.234 8.175 ( 0.000 1.478 -1.582) 2.165 8.175 ( 0.000 1.478 1.582) 2.165 8.229 ( 0.000 -3.347 -1.189) 3.552 8.229 ( 0.000 -3.347 1.189) 3.552 8.682 ( 0.000 0.810 -0.160) 0.825 8.682 ( 0.000 0.810 0.160) 0.825 8.832 ( 0.000 0.988 -0.407) 1.069 8.832 ( 0.000 0.988 0.407) 1.069 8.851 ( 0.000 1.736 -0.099) 1.738 8.851 ( 0.000 1.736 0.099) 1.738 8.959 ( 0.000 0.284 -0.730) 0.783 8.959 ( 0.000 0.284 0.730) 0.783 9.068 ( 0.000 0.757 -0.778) 1.086 9.068 ( 0.000 0.757 0.778) 1.086 9.112 ( 0.000 -0.010 -0.622) 0.622 9.112 ( 0.000 -0.010 0.622) 0.622 9.242 ( 0.000 1.292 -0.408) 1.355 9.242 ( 0.000 1.292 0.408) 1.355 9.258 ( 0.000 0.611 -0.077) 0.616 9.258 ( 0.000 0.611 0.077) 0.616 9.421 ( 0.000 -0.760 -0.030) 0.760 9.421 ( 0.000 -0.760 0.030) 0.760 9.435 ( 0.000 -1.171 -0.263) 1.200 9.435 ( 0.000 -1.171 0.263) 1.200 ======================= Grid point 77 (28/28) ======================= q-point: ( 0.33 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -0.209 2.151 -0.184) 2.169 1.868 ( -0.209 2.151 0.184) 2.169 1.882 ( -0.126 1.296 -0.073) 1.304 1.882 ( -0.126 1.296 0.073) 1.304 1.976 ( 0.644 1.422 -0.612) 1.677 1.976 ( 0.644 1.422 0.612) 1.677 1.989 ( -0.317 0.974 -0.654) 1.215 1.989 ( -0.317 0.974 0.654) 1.215 2.061 ( 0.022 0.062 -0.125) 0.142 2.061 ( 0.022 0.062 0.125) 0.142 2.086 ( -0.536 -2.168 -0.584) 2.308 2.086 ( -0.536 -2.168 0.584) 2.308 2.165 ( 0.621 1.114 -0.481) 1.363 2.165 ( 0.621 1.114 0.481) 1.363 2.199 ( -0.966 -1.160 -0.604) 1.626 2.199 ( -0.966 -1.160 0.605) 1.626 2.228 ( 0.458 -0.261 -0.315) 0.614 2.228 ( 0.458 -0.261 0.315) 0.614 2.268 ( 0.112 -2.143 -0.497) 2.202 2.268 ( 0.112 -2.143 0.497) 2.202 2.482 ( 0.374 5.692 -0.395) 5.718 2.482 ( 0.374 5.692 0.395) 5.718 2.549 ( -0.304 0.528 -0.946) 1.125 2.549 ( -0.304 0.528 0.946) 1.125 2.601 ( 1.576 3.477 -0.688) 3.879 2.601 ( 1.576 3.477 0.688) 3.879 2.631 ( -0.858 1.045 -0.171) 1.363 2.631 ( -0.858 1.045 0.171) 1.363 2.680 ( 0.160 2.298 -0.836) 2.450 2.680 ( 0.160 2.298 0.836) 2.450 2.743 ( 1.949 -2.578 -1.197) 3.447 2.743 ( 1.949 -2.578 1.197) 3.447 2.766 ( 0.240 0.378 -0.852) 0.962 2.766 ( 0.240 0.378 0.852) 0.962 2.787 ( -0.245 -2.444 -1.340) 2.798 2.787 ( -0.245 -2.444 1.340) 2.798 2.889 ( 1.727 -2.648 -1.865) 3.670 2.889 ( 1.727 -2.648 1.865) 3.670 2.922 ( 1.044 -4.464 -1.791) 4.921 2.922 ( 1.044 -4.464 1.791) 4.921 3.019 ( -1.256 -0.229 -1.368) 1.871 3.019 ( -1.256 -0.229 1.368) 1.871 3.057 ( -2.315 -3.134 -0.834) 3.984 3.057 ( -2.315 -3.134 0.834) 3.984 3.076 ( -0.195 -2.749 -1.186) 3.000 3.076 ( -0.195 -2.749 1.186) 3.000 3.100 ( -1.610 -3.460 -0.945) 3.931 3.100 ( -1.610 -3.460 0.945) 3.931 3.463 ( 1.358 1.680 -0.962) 2.365 3.463 ( 1.358 1.680 0.962) 2.365 3.519 ( -2.396 0.067 -0.879) 2.553 3.519 ( -2.396 0.067 0.879) 2.553 3.737 ( 2.387 1.872 -0.292) 3.047 3.737 ( 2.387 1.872 0.292) 3.047 3.808 ( -3.168 1.358 -0.263) 3.457 3.808 ( -3.168 1.358 0.263) 3.457 4.078 ( 0.933 1.593 -0.966) 2.083 4.078 ( 0.933 1.593 0.966) 2.083 4.133 ( -2.864 0.429 -0.829) 3.012 4.133 ( -2.864 0.429 0.829) 3.012 4.272 ( 3.586 1.561 -0.142) 3.914 4.272 ( 3.586 1.561 0.142) 3.914 4.318 ( 0.190 1.017 -0.784) 1.298 4.318 ( 0.190 1.017 0.784) 1.298 4.333 ( 2.084 1.017 -0.996) 2.523 4.333 ( 2.084 1.017 0.996) 2.523 4.378 ( -2.642 2.274 -0.362) 3.505 4.378 ( -2.642 2.274 0.362) 3.505 4.710 ( 1.707 4.737 -1.255) 5.190 4.710 ( 1.707 4.737 1.255) 5.190 4.739 ( 0.043 3.884 -0.316) 3.897 4.739 ( 0.043 3.884 0.316) 3.897 4.844 ( 1.021 4.690 -1.044) 4.913 4.844 ( 1.021 4.690 1.044) 4.913 4.855 ( 0.777 4.002 -0.263) 4.085 4.855 ( 0.777 4.002 0.263) 4.085 5.003 ( 0.499 0.891 -0.699) 1.237 5.003 ( 0.499 0.891 0.699) 1.237 5.048 ( -2.138 -0.276 -0.907) 2.339 5.048 ( -2.138 -0.276 0.907) 2.339 5.183 ( -0.519 1.914 -0.599) 2.071 5.183 ( -0.519 1.914 0.599) 2.071 5.217 ( -0.929 -0.246 -0.651) 1.161 5.217 ( -0.929 -0.246 0.651) 1.161 5.659 ( -0.149 4.921 -0.360) 4.937 5.659 ( -0.149 4.921 0.360) 4.937 5.748 ( -0.246 -3.455 -0.137) 3.467 5.748 ( -0.246 -3.455 0.137) 3.467 5.807 ( 1.558 -2.011 -1.136) 2.786 5.807 ( 1.558 -2.011 1.136) 2.786 5.851 ( -0.326 -3.198 -0.855) 3.326 5.851 ( -0.326 -3.198 0.855) 3.326 5.937 ( -0.592 -0.373 -0.526) 0.875 5.937 ( -0.592 -0.373 0.526) 0.875 5.950 ( -0.645 -0.696 -0.233) 0.977 5.950 ( -0.645 -0.696 0.233) 0.977 6.063 ( 2.459 0.884 -0.341) 2.635 6.063 ( 2.459 0.884 0.341) 2.635 6.109 ( -1.411 0.329 -0.702) 1.610 6.109 ( -1.411 0.329 0.702) 1.610 6.143 ( 1.682 0.187 -0.097) 1.695 6.143 ( 1.682 0.187 0.097) 1.695 6.176 ( -0.574 0.433 -0.871) 1.129 6.176 ( -0.574 0.433 0.871) 1.129 6.298 ( 2.459 0.529 -0.895) 2.670 6.298 ( 2.459 0.529 0.895) 2.670 6.370 ( -3.961 -0.431 -1.310) 4.194 6.370 ( -3.961 -0.431 1.310) 4.194 6.537 ( 1.519 -0.736 -1.235) 2.091 6.537 ( 1.519 -0.736 1.235) 2.091 6.563 ( -0.788 -0.743 -1.020) 1.488 6.563 ( -0.788 -0.743 1.020) 1.488 6.709 ( 3.551 0.415 -0.273) 3.585 6.709 ( 3.551 0.415 0.273) 3.585 6.762 ( -0.504 -0.576 -0.435) 0.880 6.762 ( -0.504 -0.576 0.435) 0.880 6.805 ( -0.886 -0.069 -0.606) 1.075 6.805 ( -0.886 -0.069 0.606) 1.075 6.813 ( -0.106 -1.064 -0.163) 1.082 6.813 ( -0.106 -1.064 0.163) 1.082 6.889 ( 0.608 0.450 -1.707) 1.867 6.889 ( 0.608 0.450 1.707) 1.867 6.931 ( -1.483 0.412 -1.426) 2.098 6.931 ( -1.483 0.412 1.426) 2.098 6.961 ( -2.045 -1.953 -1.003) 3.000 6.961 ( -2.045 -1.953 1.003) 3.000 6.983 ( -2.324 -1.127 -0.478) 2.627 6.983 ( -2.324 -1.127 0.478) 2.627 7.167 ( 0.493 -0.912 -0.638) 1.217 7.167 ( 0.493 -0.912 0.638) 1.217 7.173 ( 0.010 -1.008 -0.263) 1.042 7.173 ( 0.010 -1.008 0.263) 1.042 7.246 ( 0.104 0.955 -0.403) 1.042 7.246 ( 0.104 0.955 0.403) 1.042 7.272 ( -0.571 -0.322 -0.311) 0.726 7.272 ( -0.571 -0.322 0.311) 0.726 7.429 ( 2.900 0.131 -0.954) 3.055 7.429 ( 2.900 0.131 0.954) 3.055 7.497 ( -3.067 0.233 -1.139) 3.280 7.497 ( -3.067 0.233 1.139) 3.280 7.550 ( 2.605 0.648 -0.564) 2.743 7.550 ( 2.605 0.648 0.564) 2.743 7.576 ( 2.242 0.872 -1.286) 2.728 7.576 ( 2.242 0.872 1.286) 2.728 7.641 ( -2.561 0.960 -0.463) 2.774 7.641 ( -2.560 0.960 0.463) 2.774 7.665 ( -2.540 -0.382 -0.718) 2.667 7.665 ( -2.540 -0.382 0.718) 2.667 7.853 ( 2.834 0.157 -0.462) 2.876 7.853 ( 2.834 0.157 0.462) 2.876 7.901 ( -1.505 0.571 -0.296) 1.637 7.901 ( -1.505 0.571 0.296) 1.637 7.968 ( 5.299 2.570 -1.652) 6.117 7.968 ( 5.299 2.570 1.652) 6.117 8.080 ( -0.456 0.285 -1.369) 1.471 8.080 ( -0.456 0.285 1.369) 1.471 8.156 ( -0.609 0.384 -0.517) 0.886 8.156 ( -0.609 0.384 0.517) 0.886 8.192 ( -2.878 -3.144 -0.176) 4.266 8.192 ( -2.878 -3.144 0.176) 4.266 8.711 ( 2.502 1.005 -0.424) 2.730 8.711 ( 2.502 1.005 0.424) 2.730 8.772 ( -3.151 1.198 -0.147) 3.375 8.772 ( -3.151 1.198 0.147) 3.375 8.910 ( 2.738 1.319 -0.687) 3.116 8.910 ( 2.738 1.319 0.687) 3.116 8.950 ( -0.906 0.450 -0.733) 1.250 8.950 ( -0.906 0.450 0.733) 1.250 9.063 ( 0.010 0.410 -0.812) 0.910 9.063 ( 0.010 0.410 0.812) 0.910 9.085 ( -1.900 -0.000 -0.897) 2.101 9.085 ( -1.900 -0.000 0.897) 2.101 9.247 ( 0.247 1.846 -0.271) 1.882 9.247 ( 0.247 1.846 0.271) 1.882 9.263 ( 0.269 0.184 -0.079) 0.335 9.263 ( 0.269 0.184 0.079) 0.335 9.426 ( 0.282 -0.541 -0.048) 0.612 9.426 ( 0.282 -0.541 0.048) 0.612 9.437 ( 0.128 -1.337 -0.151) 1.352 9.437 ( 0.128 -1.337 0.151) 1.352 =================== 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 3/14040 10.0 991.393 1322.349 628.934 0.000 0.000 0.000 3/14040 20.0 142.287 251.454 96.810 0.000 0.000 -0.000 3/14040 30.0 51.972 105.285 34.999 0.000 0.000 -0.000 3/14040 40.0 27.515 59.539 18.404 0.000 0.000 -0.000 3/14040 50.0 17.329 38.839 11.570 0.000 0.000 -0.000 3/14040 60.0 12.096 27.715 8.073 0.000 0.000 -0.000 3/14040 70.0 9.063 21.093 6.049 0.000 0.000 -0.000 3/14040 80.0 7.152 16.847 4.773 0.000 0.000 -0.000 3/14040 90.0 5.867 13.956 3.915 0.000 0.000 -0.000 3/14040 100.0 4.959 11.889 3.308 0.000 0.000 -0.000 3/14040 110.0 4.289 10.351 2.861 0.000 0.000 -0.000 3/14040 120.0 3.777 9.167 2.519 0.000 0.000 -0.000 3/14040 130.0 3.375 8.231 2.251 0.000 0.000 -0.000 3/14040 140.0 3.052 7.472 2.035 0.000 0.000 -0.000 3/14040 150.0 2.786 6.846 1.857 0.000 0.000 -0.000 3/14040 160.0 2.565 6.320 1.709 0.000 0.000 -0.000 3/14040 170.0 2.377 5.872 1.584 0.000 0.000 -0.000 3/14040 180.0 2.215 5.485 1.476 0.000 0.000 -0.000 3/14040 190.0 2.075 5.149 1.382 0.000 0.000 -0.000 3/14040 200.0 1.952 4.852 1.300 0.000 0.000 -0.000 3/14040 210.0 1.844 4.589 1.228 0.000 0.000 -0.000 3/14040 220.0 1.747 4.355 1.164 0.000 0.000 -0.000 3/14040 230.0 1.660 4.144 1.106 0.000 0.000 -0.000 3/14040 240.0 1.582 3.953 1.053 0.000 0.000 -0.000 3/14040 250.0 1.511 3.779 1.006 0.000 0.000 -0.000 3/14040 260.0 1.446 3.621 0.963 0.000 0.000 -0.000 3/14040 270.0 1.387 3.476 0.924 0.000 0.000 -0.000 3/14040 280.0 1.333 3.342 0.887 0.000 0.000 -0.000 3/14040 290.0 1.283 3.218 0.854 0.000 0.000 -0.000 3/14040 300.0 1.236 3.104 0.823 0.000 0.000 -0.000 3/14040 310.0 1.193 2.997 0.794 0.000 0.000 -0.000 3/14040 320.0 1.153 2.898 0.768 0.000 0.000 -0.000 3/14040 330.0 1.116 2.805 0.743 0.000 0.000 -0.000 3/14040 340.0 1.081 2.719 0.719 0.000 0.000 -0.000 3/14040 350.0 1.048 2.637 0.698 0.000 0.000 -0.000 3/14040 360.0 1.017 2.560 0.677 0.000 0.000 -0.000 3/14040 370.0 0.988 2.488 0.658 0.000 0.000 -0.000 3/14040 380.0 0.961 2.420 0.639 0.000 0.000 -0.000 3/14040 390.0 0.935 2.356 0.622 0.000 0.000 -0.000 3/14040 400.0 0.910 2.294 0.606 0.000 0.000 -0.000 3/14040 410.0 0.887 2.236 0.590 0.000 0.000 -0.000 3/14040 420.0 0.865 2.181 0.576 0.000 0.000 -0.000 3/14040 430.0 0.844 2.129 0.562 0.000 0.000 -0.000 3/14040 440.0 0.824 2.079 0.548 0.000 0.000 -0.000 3/14040 450.0 0.805 2.032 0.536 0.000 0.000 -0.000 3/14040 460.0 0.787 1.986 0.524 0.000 0.000 -0.000 3/14040 470.0 0.770 1.943 0.512 0.000 0.000 -0.000 3/14040 480.0 0.753 1.901 0.501 0.000 0.000 -0.000 3/14040 490.0 0.737 1.862 0.491 0.000 0.000 -0.000 3/14040 500.0 0.722 1.824 0.480 0.000 0.000 -0.000 3/14040 510.0 0.707 1.787 0.471 0.000 0.000 -0.000 3/14040 520.0 0.693 1.752 0.461 0.000 0.000 -0.000 3/14040 530.0 0.680 1.718 0.453 0.000 0.000 -0.000 3/14040 540.0 0.667 1.686 0.444 0.000 0.000 -0.000 3/14040 550.0 0.655 1.654 0.436 0.000 0.000 -0.000 3/14040 560.0 0.643 1.624 0.428 0.000 0.000 -0.000 3/14040 570.0 0.631 1.595 0.420 0.000 0.000 -0.000 3/14040 580.0 0.620 1.567 0.413 0.000 0.000 -0.000 3/14040 590.0 0.609 1.540 0.405 0.000 0.000 -0.000 3/14040 600.0 0.599 1.514 0.399 0.000 0.000 -0.000 3/14040 610.0 0.589 1.489 0.392 0.000 0.000 -0.000 3/14040 620.0 0.579 1.465 0.385 0.000 0.000 -0.000 3/14040 630.0 0.570 1.441 0.379 0.000 0.000 -0.000 3/14040 640.0 0.561 1.418 0.373 0.000 0.000 -0.000 3/14040 650.0 0.552 1.396 0.367 0.000 0.000 -0.000 3/14040 660.0 0.543 1.375 0.362 0.000 0.000 -0.000 3/14040 670.0 0.535 1.354 0.356 0.000 0.000 -0.000 3/14040 680.0 0.527 1.334 0.351 0.000 0.000 -0.000 3/14040 690.0 0.519 1.314 0.346 0.000 0.000 -0.000 3/14040 700.0 0.512 1.295 0.341 0.000 0.000 -0.000 3/14040 710.0 0.505 1.277 0.336 0.000 0.000 -0.000 3/14040 720.0 0.497 1.259 0.331 0.000 0.000 -0.000 3/14040 730.0 0.491 1.241 0.326 0.000 0.000 -0.000 3/14040 740.0 0.484 1.224 0.322 0.000 0.000 -0.000 3/14040 750.0 0.477 1.208 0.318 0.000 0.000 -0.000 3/14040 760.0 0.471 1.192 0.313 0.000 0.000 -0.000 3/14040 770.0 0.465 1.176 0.309 0.000 0.000 -0.000 3/14040 780.0 0.459 1.161 0.305 0.000 0.000 -0.000 3/14040 790.0 0.453 1.146 0.301 0.000 0.000 -0.000 3/14040 800.0 0.447 1.132 0.297 0.000 0.000 -0.000 3/14040 810.0 0.442 1.118 0.294 0.000 0.000 -0.000 3/14040 820.0 0.436 1.104 0.290 0.000 0.000 -0.000 3/14040 830.0 0.431 1.091 0.287 0.000 0.000 -0.000 3/14040 840.0 0.426 1.077 0.283 0.000 0.000 -0.000 3/14040 850.0 0.421 1.065 0.280 0.000 0.000 -0.000 3/14040 860.0 0.416 1.052 0.277 0.000 0.000 -0.000 3/14040 870.0 0.411 1.040 0.273 0.000 0.000 -0.000 3/14040 880.0 0.406 1.028 0.270 0.000 0.000 -0.000 3/14040 890.0 0.401 1.017 0.267 0.000 0.000 -0.000 3/14040 900.0 0.397 1.005 0.264 0.000 0.000 -0.000 3/14040 910.0 0.393 0.994 0.261 0.000 0.000 -0.000 3/14040 920.0 0.388 0.983 0.258 0.000 0.000 -0.000 3/14040 930.0 0.384 0.973 0.256 0.000 0.000 -0.000 3/14040 940.0 0.380 0.962 0.253 0.000 0.000 -0.000 3/14040 950.0 0.376 0.952 0.250 0.000 0.000 -0.000 3/14040 960.0 0.372 0.942 0.247 0.000 0.000 -0.000 3/14040 970.0 0.368 0.932 0.245 0.000 0.000 -0.000 3/14040 980.0 0.364 0.923 0.242 0.000 0.000 -0.000 3/14040 990.0 0.361 0.913 0.240 0.000 0.000 -0.000 3/14040 1000.0 0.357 0.904 0.237 0.000 0.000 -0.000 3/14040 Thermal conductivity related properties were written into "kappa-m3132.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:14:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|