----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:30:34]------------------------- 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: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.873589850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.113699339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.913460489999999 Atomic positions (fractional): *1 O 0.61632100940104 0.05791551385076 0.94628951486727 15.999 2 O 0.38367899059896 0.05791551385076 0.55371048513273 15.999 3 O 0.88367899059896 0.44208448614924 0.44628951486727 15.999 4 O 0.11632100940104 0.44208448614924 0.05371048513273 15.999 5 O 0.38367899059896 0.94208448614924 0.05371048513273 15.999 6 O 0.61632100940104 0.94208448614924 0.44628951486727 15.999 7 O 0.11632100940104 0.55791551385076 0.55371048513273 15.999 8 O 0.88367899059896 0.55791551385076 0.94628951486727 15.999 *9 O 0.83657682646945 0.06038400426577 0.85273569813653 15.999 10 O 0.16342317353055 0.06038400426577 0.64726430186347 15.999 11 O 0.66342317353055 0.43961599573423 0.35273569813653 15.999 12 O 0.33657682646945 0.43961599573423 0.14726430186347 15.999 13 O 0.16342317353055 0.93961599573423 0.14726430186347 15.999 14 O 0.83657682646945 0.93961599573423 0.35273569813653 15.999 *15 O 0.80245141260226 0.37622606117810 0.65769067817344 15.999 16 O 0.33657682646945 0.56038400426577 0.64726430186347 15.999 *17 O 0.57701985344319 0.38578978069226 0.58826351000771 15.999 18 O 0.42298014655681 0.38578978069226 0.91173648999229 15.999 19 O 0.92298014655681 0.11421021930774 0.08826351000771 15.999 20 O 0.07701985344319 0.11421021930774 0.41173648999229 15.999 21 O 0.42298014655681 0.61421021930774 0.41173648999229 15.999 22 O 0.57701985344319 0.61421021930774 0.08826351000771 15.999 23 O 0.07701985344319 0.88578978069226 0.91173648999229 15.999 24 O 0.92298014655681 0.88578978069226 0.58826351000771 15.999 *25 O 0.50000000000000 0.97600434266555 0.75000000000000 15.999 26 O 0.00000000000000 0.52399565733445 0.25000000000000 15.999 27 O 0.50000000000000 0.02399565733445 0.25000000000000 15.999 28 O 0.00000000000000 0.47600434266555 0.75000000000000 15.999 29 O 0.69754858739774 0.87622606117810 0.65769067817344 15.999 30 O 0.30245141260226 0.87622606117810 0.84230932182656 15.999 31 O 0.80245141260226 0.62377393882190 0.15769067817344 15.999 32 O 0.19754858739774 0.62377393882190 0.34230932182656 15.999 33 O 0.30245141260226 0.12377393882190 0.34230932182656 15.999 34 O 0.69754858739774 0.12377393882190 0.15769067817344 15.999 35 O 0.19754858739774 0.37622606117810 0.84230932182656 15.999 36 O 0.66342317353055 0.56038400426577 0.85273569813653 15.999 *37 Nd 0.98783274138978 0.25764653639463 0.58930134717935 144.242 38 Nd 0.01216725861022 0.25764653639463 0.91069865282065 144.242 39 Nd 0.51216725861022 0.24235346360537 0.08930134717935 144.242 40 Nd 0.48783274138978 0.24235346360537 0.41069865282065 144.242 41 Nd 0.01216725861022 0.74235346360537 0.41069865282065 144.242 42 Nd 0.98783274138978 0.74235346360537 0.08930134717935 144.242 43 Nd 0.48783274138978 0.75764653639463 0.91069865282065 144.242 44 Nd 0.51216725861022 0.75764653639463 0.58930134717935 144.242 *45 Nd 0.65936364669365 0.19824821212306 0.76453276044991 144.242 46 Nd 0.34063635330635 0.19824821212306 0.73546723955009 144.242 47 Nd 0.84063635330635 0.30175178787694 0.26453276044990 144.242 48 Nd 0.15936364669365 0.30175178787694 0.23546723955009 144.242 49 Nd 0.34063635330635 0.80175178787694 0.23546723955009 144.242 50 Nd 0.65936364669365 0.80175178787694 0.26453276044990 144.242 51 Nd 0.15936364669365 0.69824821212306 0.73546723955009 144.242 52 Nd 0.84063635330635 0.69824821212306 0.76453276044991 144.242 *53 Au 0.72812175319761 0.41921075181987 0.51077484042046 196.967 54 Au 0.27187824680239 0.41921075181987 0.98922515957954 196.967 55 Au 0.77187824680239 0.08078924818013 0.01077484042046 196.967 56 Au 0.22812175319761 0.08078924818013 0.48922515957954 196.967 57 Au 0.27187824680239 0.58078924818013 0.48922515957954 196.967 58 Au 0.72812175319761 0.58078924818013 0.01077484042046 196.967 59 Au 0.22812175319761 0.91921075181987 0.98922515957954 196.967 60 Au 0.77187824680239 0.91921075181987 0.51077484042046 196.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.873589850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.113699339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.913460489999999 Atomic positions (fractional): *1 O 0.61632100940104 0.05791551385076 0.94628951486727 15.999 > 1 2 O 0.38367899059896 0.05791551385076 0.55371048513273 15.999 > 2 3 O 0.88367899059896 0.44208448614924 0.44628951486727 15.999 > 3 4 O 0.11632100940104 0.44208448614924 0.05371048513273 15.999 > 4 5 O 0.38367899059896 0.94208448614924 0.05371048513273 15.999 > 5 6 O 0.61632100940104 0.94208448614924 0.44628951486727 15.999 > 6 7 O 0.11632100940104 0.55791551385076 0.55371048513273 15.999 > 7 8 O 0.88367899059896 0.55791551385076 0.94628951486727 15.999 > 8 *9 O 0.83657682646945 0.06038400426577 0.85273569813653 15.999 > 9 10 O 0.16342317353055 0.06038400426577 0.64726430186347 15.999 > 10 11 O 0.66342317353055 0.43961599573423 0.35273569813653 15.999 > 11 12 O 0.33657682646945 0.43961599573423 0.14726430186347 15.999 > 12 13 O 0.16342317353055 0.93961599573423 0.14726430186347 15.999 > 13 14 O 0.83657682646945 0.93961599573423 0.35273569813653 15.999 > 14 *15 O 0.80245141260226 0.37622606117810 0.65769067817344 15.999 > 15 16 O 0.33657682646945 0.56038400426577 0.64726430186347 15.999 > 16 *17 O 0.57701985344319 0.38578978069226 0.58826351000771 15.999 > 17 18 O 0.42298014655681 0.38578978069226 0.91173648999229 15.999 > 18 19 O 0.92298014655681 0.11421021930774 0.08826351000771 15.999 > 19 20 O 0.07701985344319 0.11421021930774 0.41173648999229 15.999 > 20 21 O 0.42298014655681 0.61421021930774 0.41173648999229 15.999 > 21 22 O 0.57701985344319 0.61421021930774 0.08826351000771 15.999 > 22 23 O 0.07701985344319 0.88578978069226 0.91173648999229 15.999 > 23 24 O 0.92298014655681 0.88578978069226 0.58826351000771 15.999 > 24 *25 O 0.50000000000000 0.97600434266555 0.75000000000000 15.999 > 25 26 O 0.00000000000000 0.52399565733445 0.25000000000000 15.999 > 26 27 O 0.50000000000000 0.02399565733445 0.25000000000000 15.999 > 27 28 O 0.00000000000000 0.47600434266555 0.75000000000000 15.999 > 28 29 O 0.69754858739774 0.87622606117810 0.65769067817344 15.999 > 29 30 O 0.30245141260226 0.87622606117810 0.84230932182656 15.999 > 30 31 O 0.80245141260226 0.62377393882190 0.15769067817344 15.999 > 31 32 O 0.19754858739774 0.62377393882190 0.34230932182656 15.999 > 32 33 O 0.30245141260226 0.12377393882190 0.34230932182656 15.999 > 33 34 O 0.69754858739774 0.12377393882190 0.15769067817344 15.999 > 34 35 O 0.19754858739774 0.37622606117810 0.84230932182656 15.999 > 35 36 O 0.66342317353055 0.56038400426577 0.85273569813653 15.999 > 36 *37 Nd 0.98783274138978 0.25764653639463 0.58930134717935 144.242 > 37 38 Nd 0.01216725861022 0.25764653639463 0.91069865282065 144.242 > 38 39 Nd 0.51216725861022 0.24235346360537 0.08930134717935 144.242 > 39 40 Nd 0.48783274138978 0.24235346360537 0.41069865282065 144.242 > 40 41 Nd 0.01216725861022 0.74235346360537 0.41069865282065 144.242 > 41 42 Nd 0.98783274138978 0.74235346360537 0.08930134717935 144.242 > 42 43 Nd 0.48783274138978 0.75764653639463 0.91069865282065 144.242 > 43 44 Nd 0.51216725861022 0.75764653639463 0.58930134717935 144.242 > 44 *45 Nd 0.65936364669365 0.19824821212306 0.76453276044991 144.242 > 45 46 Nd 0.34063635330635 0.19824821212306 0.73546723955009 144.242 > 46 47 Nd 0.84063635330635 0.30175178787694 0.26453276044990 144.242 > 47 48 Nd 0.15936364669365 0.30175178787694 0.23546723955009 144.242 > 48 49 Nd 0.34063635330635 0.80175178787694 0.23546723955009 144.242 > 49 50 Nd 0.65936364669365 0.80175178787694 0.26453276044990 144.242 > 50 51 Nd 0.15936364669365 0.69824821212306 0.73546723955009 144.242 > 51 52 Nd 0.84063635330635 0.69824821212306 0.76453276044991 144.242 > 52 *53 Au 0.72812175319761 0.41921075181987 0.51077484042046 196.967 > 53 54 Au 0.27187824680239 0.41921075181987 0.98922515957954 196.967 > 54 55 Au 0.77187824680239 0.08078924818013 0.01077484042046 196.967 > 55 56 Au 0.22812175319761 0.08078924818013 0.48922515957954 196.967 > 56 57 Au 0.27187824680239 0.58078924818013 0.48922515957954 196.967 > 57 58 Au 0.72812175319761 0.58078924818013 0.01077484042046 196.967 > 58 59 Au 0.22812175319761 0.91921075181987 0.98922515957954 196.967 > 59 60 Au 0.77187824680239 0.91921075181987 0.51077484042046 196.967 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.873589850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.227398679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.913460489999999 Atomic positions (fractional): *1 O 0.61632100940104 0.02895775692538 0.94628951486727 15.999 > 1 2 O 0.61632100940104 0.52895775692538 0.94628951486727 15.999 > 1 3 O 0.38367899059896 0.02895775692538 0.55371048513273 15.999 > 2 4 O 0.38367899059896 0.52895775692538 0.55371048513273 15.999 > 2 5 O 0.88367899059896 0.22104224307462 0.44628951486727 15.999 > 3 6 O 0.88367899059896 0.72104224307462 0.44628951486727 15.999 > 3 7 O 0.11632100940104 0.22104224307462 0.05371048513273 15.999 > 4 8 O 0.11632100940104 0.72104224307462 0.05371048513273 15.999 > 4 9 O 0.38367899059896 0.47104224307462 0.05371048513273 15.999 > 5 10 O 0.38367899059896 0.97104224307462 0.05371048513273 15.999 > 5 11 O 0.61632100940104 0.47104224307462 0.44628951486727 15.999 > 6 12 O 0.61632100940104 0.97104224307462 0.44628951486727 15.999 > 6 13 O 0.11632100940104 0.27895775692538 0.55371048513273 15.999 > 7 14 O 0.11632100940104 0.77895775692538 0.55371048513273 15.999 > 7 15 O 0.88367899059896 0.27895775692538 0.94628951486727 15.999 > 8 16 O 0.88367899059896 0.77895775692538 0.94628951486727 15.999 > 8 *17 O 0.83657682646945 0.03019200213288 0.85273569813653 15.999 > 9 18 O 0.83657682646945 0.53019200213288 0.85273569813653 15.999 > 9 19 O 0.16342317353055 0.03019200213288 0.64726430186347 15.999 > 10 20 O 0.16342317353055 0.53019200213288 0.64726430186347 15.999 > 10 21 O 0.66342317353055 0.21980799786712 0.35273569813653 15.999 > 11 22 O 0.66342317353055 0.71980799786712 0.35273569813653 15.999 > 11 23 O 0.33657682646945 0.21980799786712 0.14726430186347 15.999 > 12 24 O 0.33657682646945 0.71980799786712 0.14726430186347 15.999 > 12 25 O 0.16342317353055 0.46980799786712 0.14726430186347 15.999 > 13 26 O 0.16342317353055 0.96980799786712 0.14726430186347 15.999 > 13 27 O 0.83657682646945 0.46980799786712 0.35273569813653 15.999 > 14 28 O 0.83657682646945 0.96980799786712 0.35273569813653 15.999 > 14 *29 O 0.80245141260226 0.18811303058905 0.65769067817344 15.999 > 15 30 O 0.80245141260226 0.68811303058905 0.65769067817344 15.999 > 15 31 O 0.33657682646945 0.28019200213288 0.64726430186347 15.999 > 16 32 O 0.33657682646945 0.78019200213288 0.64726430186347 15.999 > 16 *33 O 0.57701985344319 0.19289489034613 0.58826351000771 15.999 > 17 34 O 0.57701985344319 0.69289489034613 0.58826351000771 15.999 > 17 35 O 0.42298014655681 0.19289489034613 0.91173648999229 15.999 > 18 36 O 0.42298014655681 0.69289489034613 0.91173648999229 15.999 > 18 37 O 0.92298014655681 0.05710510965387 0.08826351000771 15.999 > 19 38 O 0.92298014655681 0.55710510965387 0.08826351000771 15.999 > 19 39 O 0.07701985344319 0.05710510965387 0.41173648999229 15.999 > 20 40 O 0.07701985344319 0.55710510965387 0.41173648999229 15.999 > 20 41 O 0.42298014655681 0.30710510965387 0.41173648999229 15.999 > 21 42 O 0.42298014655681 0.80710510965387 0.41173648999229 15.999 > 21 43 O 0.57701985344319 0.30710510965387 0.08826351000771 15.999 > 22 44 O 0.57701985344319 0.80710510965387 0.08826351000771 15.999 > 22 45 O 0.07701985344319 0.44289489034613 0.91173648999229 15.999 > 23 46 O 0.07701985344319 0.94289489034613 0.91173648999229 15.999 > 23 47 O 0.92298014655681 0.44289489034613 0.58826351000771 15.999 > 24 48 O 0.92298014655681 0.94289489034613 0.58826351000771 15.999 > 24 *49 O 0.50000000000000 0.48800217133278 0.75000000000000 15.999 > 25 50 O 0.50000000000000 0.98800217133278 0.75000000000000 15.999 > 25 51 O 0.00000000000000 0.26199782866722 0.25000000000000 15.999 > 26 52 O 0.00000000000000 0.76199782866722 0.25000000000000 15.999 > 26 53 O 0.50000000000000 0.01199782866722 0.25000000000000 15.999 > 27 54 O 0.50000000000000 0.51199782866722 0.25000000000000 15.999 > 27 55 O 0.00000000000000 0.23800217133278 0.75000000000000 15.999 > 28 56 O 0.00000000000000 0.73800217133278 0.75000000000000 15.999 > 28 57 O 0.69754858739774 0.43811303058905 0.65769067817344 15.999 > 29 58 O 0.69754858739774 0.93811303058905 0.65769067817344 15.999 > 29 59 O 0.30245141260226 0.43811303058905 0.84230932182656 15.999 > 30 60 O 0.30245141260226 0.93811303058905 0.84230932182656 15.999 > 30 61 O 0.80245141260226 0.31188696941095 0.15769067817344 15.999 > 31 62 O 0.80245141260226 0.81188696941095 0.15769067817344 15.999 > 31 63 O 0.19754858739774 0.31188696941095 0.34230932182656 15.999 > 32 64 O 0.19754858739774 0.81188696941095 0.34230932182656 15.999 > 32 65 O 0.30245141260226 0.06188696941095 0.34230932182656 15.999 > 33 66 O 0.30245141260226 0.56188696941095 0.34230932182656 15.999 > 33 67 O 0.69754858739774 0.06188696941095 0.15769067817344 15.999 > 34 68 O 0.69754858739774 0.56188696941095 0.15769067817344 15.999 > 34 69 O 0.19754858739774 0.18811303058905 0.84230932182656 15.999 > 35 70 O 0.19754858739774 0.68811303058905 0.84230932182656 15.999 > 35 71 O 0.66342317353055 0.28019200213288 0.85273569813653 15.999 > 36 72 O 0.66342317353055 0.78019200213288 0.85273569813653 15.999 > 36 *73 Nd 0.98783274138978 0.12882326819732 0.58930134717935 144.242 > 37 74 Nd 0.98783274138978 0.62882326819732 0.58930134717935 144.242 > 37 75 Nd 0.01216725861022 0.12882326819732 0.91069865282065 144.242 > 38 76 Nd 0.01216725861022 0.62882326819732 0.91069865282065 144.242 > 38 77 Nd 0.51216725861022 0.12117673180268 0.08930134717935 144.242 > 39 78 Nd 0.51216725861022 0.62117673180268 0.08930134717935 144.242 > 39 79 Nd 0.48783274138978 0.12117673180268 0.41069865282065 144.242 > 40 80 Nd 0.48783274138978 0.62117673180268 0.41069865282065 144.242 > 40 81 Nd 0.01216725861022 0.37117673180268 0.41069865282065 144.242 > 41 82 Nd 0.01216725861022 0.87117673180268 0.41069865282065 144.242 > 41 83 Nd 0.98783274138978 0.37117673180268 0.08930134717935 144.242 > 42 84 Nd 0.98783274138978 0.87117673180268 0.08930134717935 144.242 > 42 85 Nd 0.48783274138978 0.37882326819732 0.91069865282065 144.242 > 43 86 Nd 0.48783274138978 0.87882326819732 0.91069865282065 144.242 > 43 87 Nd 0.51216725861022 0.37882326819732 0.58930134717935 144.242 > 44 88 Nd 0.51216725861022 0.87882326819732 0.58930134717935 144.242 > 44 *89 Nd 0.65936364669365 0.09912410606153 0.76453276044991 144.242 > 45 90 Nd 0.65936364669365 0.59912410606153 0.76453276044991 144.242 > 45 91 Nd 0.34063635330635 0.09912410606153 0.73546723955009 144.242 > 46 92 Nd 0.34063635330635 0.59912410606153 0.73546723955009 144.242 > 46 93 Nd 0.84063635330635 0.15087589393847 0.26453276044990 144.242 > 47 94 Nd 0.84063635330635 0.65087589393847 0.26453276044990 144.242 > 47 95 Nd 0.15936364669365 0.15087589393847 0.23546723955009 144.242 > 48 96 Nd 0.15936364669365 0.65087589393847 0.23546723955009 144.242 > 48 97 Nd 0.34063635330635 0.40087589393847 0.23546723955009 144.242 > 49 98 Nd 0.34063635330635 0.90087589393847 0.23546723955009 144.242 > 49 99 Nd 0.65936364669365 0.40087589393847 0.26453276044990 144.242 > 50 100 Nd 0.65936364669365 0.90087589393847 0.26453276044990 144.242 > 50 101 Nd 0.15936364669365 0.34912410606153 0.73546723955009 144.242 > 51 102 Nd 0.15936364669365 0.84912410606153 0.73546723955009 144.242 > 51 103 Nd 0.84063635330635 0.34912410606153 0.76453276044991 144.242 > 52 104 Nd 0.84063635330635 0.84912410606153 0.76453276044991 144.242 > 52 *105 Au 0.72812175319761 0.20960537590994 0.51077484042046 196.967 > 53 106 Au 0.72812175319761 0.70960537590994 0.51077484042046 196.967 > 53 107 Au 0.27187824680239 0.20960537590994 0.98922515957954 196.967 > 54 108 Au 0.27187824680239 0.70960537590994 0.98922515957954 196.967 > 54 109 Au 0.77187824680239 0.04039462409006 0.01077484042046 196.967 > 55 110 Au 0.77187824680239 0.54039462409006 0.01077484042046 196.967 > 55 111 Au 0.22812175319761 0.04039462409006 0.48922515957954 196.967 > 56 112 Au 0.22812175319761 0.54039462409006 0.48922515957954 196.967 > 56 113 Au 0.27187824680239 0.29039462409006 0.48922515957954 196.967 > 57 114 Au 0.27187824680239 0.79039462409006 0.48922515957954 196.967 > 57 115 Au 0.72812175319761 0.29039462409006 0.01077484042046 196.967 > 58 116 Au 0.72812175319761 0.79039462409006 0.01077484042046 196.967 > 58 117 Au 0.22812175319761 0.45960537590994 0.98922515957954 196.967 > 59 118 Au 0.22812175319761 0.95960537590994 0.98922515957954 196.967 > 59 119 Au 0.77187824680239 0.45960537590994 0.51077484042046 196.967 > 60 120 Au 0.77187824680239 0.95960537590994 0.51077484042046 196.967 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7083593 0.0000000 0.0000000 0.0000000 4.7594559 0.0000000 0.0000000 0.0000000 5.6186597 -------------------------- Born effective charges -------------------------- 1 O -2.7832748 -0.3385399 -0.0324024 -0.2275162 -1.6901473 -0.0381153 -0.2524999 -0.1308728 -1.8641386 2 O -2.7832748 0.3385399 -0.0324024 0.2275162 -1.6901473 0.0381153 -0.2524999 0.1308728 -1.8641386 3 O -2.7832748 -0.3385399 0.0324024 -0.2275162 -1.6901473 0.0381153 0.2524999 0.1308728 -1.8641386 4 O -2.7832748 0.3385399 0.0324024 0.2275162 -1.6901473 -0.0381153 0.2524999 -0.1308728 -1.8641386 5 O -2.7832748 -0.3385399 -0.0324024 -0.2275162 -1.6901473 -0.0381153 -0.2524999 -0.1308728 -1.8641386 6 O -2.7832748 0.3385399 -0.0324024 0.2275162 -1.6901473 0.0381153 -0.2524999 0.1308728 -1.8641386 7 O -2.7832748 -0.3385399 0.0324024 -0.2275162 -1.6901473 0.0381153 0.2524999 0.1308728 -1.8641386 8 O -2.7832748 0.3385399 0.0324024 0.2275162 -1.6901473 -0.0381153 0.2524999 -0.1308728 -1.8641386 9 O -2.0114210 0.0593221 0.2143899 -0.1063977 -1.8017105 -0.2470999 0.0319010 -0.4799388 -2.7125894 10 O -2.0114210 -0.0593221 0.2143899 0.1063977 -1.8017105 0.2470999 0.0319010 0.4799388 -2.7125894 11 O -2.0114210 0.0593221 -0.2143899 -0.1063977 -1.8017105 0.2470999 -0.0319010 0.4799388 -2.7125894 12 O -2.0114210 -0.0593221 -0.2143899 0.1063977 -1.8017105 -0.2470999 -0.0319010 -0.4799388 -2.7125894 13 O -2.0114210 0.0593221 0.2143899 -0.1063977 -1.8017105 -0.2470999 0.0319010 -0.4799388 -2.7125894 14 O -2.0114210 -0.0593221 0.2143899 0.1063977 -1.8017105 0.2470999 0.0319010 0.4799388 -2.7125894 15 O -1.6840789 -0.1040621 -0.1075161 -0.0975229 -1.7401131 -0.0520786 -0.0182582 -0.2349371 -2.6770537 16 O -2.0114210 0.0593221 -0.2143899 -0.1063977 -1.8017105 0.2470999 -0.0319010 0.4799388 -2.7125894 17 O -2.4418917 0.3095921 0.2271215 0.0373076 -1.9206492 0.0343567 0.1639695 0.0120713 -1.8340698 18 O -2.4418917 -0.3095921 0.2271215 -0.0373076 -1.9206492 -0.0343567 0.1639695 -0.0120713 -1.8340698 19 O -2.4418917 0.3095921 -0.2271215 0.0373076 -1.9206492 -0.0343567 -0.1639695 -0.0120713 -1.8340698 20 O -2.4418917 -0.3095921 -0.2271215 -0.0373076 -1.9206492 0.0343567 -0.1639695 0.0120713 -1.8340698 21 O -2.4418917 0.3095921 0.2271215 0.0373076 -1.9206492 0.0343567 0.1639695 0.0120713 -1.8340698 22 O -2.4418917 -0.3095921 0.2271215 -0.0373076 -1.9206492 -0.0343567 0.1639695 -0.0120713 -1.8340698 23 O -2.4418917 0.3095921 -0.2271215 0.0373076 -1.9206492 -0.0343567 -0.1639695 -0.0120713 -1.8340698 24 O -2.4418917 -0.3095921 -0.2271215 -0.0373076 -1.9206492 0.0343567 -0.1639695 0.0120713 -1.8340698 25 O -2.9360501 0.0000000 -0.1237780 0.0000000 -2.4567072 0.0000000 0.1922774 0.0000000 -2.9126624 26 O -2.9360501 0.0000000 0.1237780 0.0000000 -2.4567072 0.0000000 -0.1922774 0.0000000 -2.9126624 27 O -2.9360501 0.0000000 -0.1237780 0.0000000 -2.4567072 0.0000000 0.1922774 0.0000000 -2.9126624 28 O -2.9360501 0.0000000 0.1237780 0.0000000 -2.4567072 0.0000000 -0.1922774 0.0000000 -2.9126624 29 O -1.6840789 0.1040621 0.1075161 0.0975229 -1.7401131 -0.0520786 0.0182582 -0.2349371 -2.6770537 30 O -1.6840789 -0.1040621 0.1075161 -0.0975229 -1.7401131 0.0520786 0.0182582 0.2349371 -2.6770537 31 O -1.6840789 0.1040621 -0.1075161 0.0975229 -1.7401131 0.0520786 -0.0182582 0.2349371 -2.6770537 32 O -1.6840789 -0.1040621 -0.1075161 -0.0975229 -1.7401131 -0.0520786 -0.0182582 -0.2349371 -2.6770537 33 O -1.6840789 0.1040621 0.1075161 0.0975229 -1.7401131 -0.0520786 0.0182582 -0.2349371 -2.6770537 34 O -1.6840789 -0.1040621 0.1075161 -0.0975229 -1.7401131 0.0520786 0.0182582 0.2349371 -2.6770537 35 O -1.6840789 0.1040621 -0.1075161 0.0975229 -1.7401131 0.0520786 -0.0182582 0.2349371 -2.6770537 36 O -2.0114210 -0.0593221 -0.2143899 0.1063977 -1.8017105 -0.2470999 -0.0319010 -0.4799388 -2.7125894 37 Nd 4.9435399 0.2310208 0.0029552 -0.1969482 4.1404687 0.6133550 -0.0906854 0.5223349 3.2707237 38 Nd 4.9435399 -0.2310208 0.0029552 0.1969482 4.1404687 -0.6133550 -0.0906854 -0.5223349 3.2707237 39 Nd 4.9435399 0.2310208 -0.0029552 -0.1969482 4.1404687 -0.6133550 0.0906854 -0.5223349 3.2707237 40 Nd 4.9435399 -0.2310208 -0.0029552 0.1969482 4.1404687 0.6133550 0.0906854 0.5223349 3.2707237 41 Nd 4.9435399 0.2310208 0.0029552 -0.1969482 4.1404687 0.6133550 -0.0906854 0.5223349 3.2707237 42 Nd 4.9435399 -0.2310208 0.0029552 0.1969482 4.1404687 -0.6133550 -0.0906854 -0.5223349 3.2707237 43 Nd 4.9435399 0.2310208 -0.0029552 -0.1969482 4.1404687 -0.6133550 0.0906854 -0.5223349 3.2707237 44 Nd 4.9435399 -0.2310208 -0.0029552 0.1969482 4.1404687 0.6133550 0.0906854 0.5223349 3.2707237 45 Nd 3.3489207 0.3740804 -0.0796299 0.4575351 4.0806107 -0.2378978 -0.1240044 0.2777000 5.0122525 46 Nd 3.3489207 -0.3740804 -0.0796299 -0.4575351 4.0806107 0.2378978 -0.1240044 -0.2777000 5.0122525 47 Nd 3.3489207 0.3740804 0.0796299 0.4575351 4.0806107 0.2378978 0.1240044 -0.2777000 5.0122525 48 Nd 3.3489207 -0.3740804 0.0796299 -0.4575351 4.0806107 -0.2378978 0.1240044 0.2777000 5.0122525 49 Nd 3.3489207 0.3740804 -0.0796299 0.4575351 4.0806107 -0.2378978 -0.1240044 0.2777000 5.0122525 50 Nd 3.3489207 -0.3740804 -0.0796299 -0.4575351 4.0806107 0.2378978 -0.1240044 -0.2777000 5.0122525 51 Nd 3.3489207 0.3740804 0.0796299 0.4575351 4.0806107 0.2378978 0.1240044 -0.2777000 5.0122525 52 Nd 3.3489207 -0.3740804 0.0796299 -0.4575351 4.0806107 -0.2378978 0.1240044 0.2777000 5.0122525 53 Au 2.0962309 0.1243054 0.0010672 0.1607561 0.1598942 -0.2429967 -0.0176650 -0.3021762 2.2612067 54 Au 2.0962309 -0.1243054 0.0010672 -0.1607561 0.1598942 0.2429967 -0.0176650 0.3021762 2.2612067 55 Au 2.0962309 0.1243054 -0.0010672 0.1607561 0.1598942 0.2429967 0.0176650 0.3021762 2.2612067 56 Au 2.0962309 -0.1243054 -0.0010672 -0.1607561 0.1598942 -0.2429967 0.0176650 -0.3021762 2.2612067 57 Au 2.0962309 0.1243054 0.0010672 0.1607561 0.1598942 -0.2429967 -0.0176650 -0.3021762 2.2612067 58 Au 2.0962309 -0.1243054 0.0010672 -0.1607561 0.1598942 0.2429967 -0.0176650 0.3021762 2.2612067 59 Au 2.0962309 0.1243054 -0.0010672 0.1607561 0.1598942 0.2429967 0.0176650 0.3021762 2.2612067 60 Au 2.0962309 -0.1243054 -0.0010672 -0.1607561 0.1598942 -0.2429967 0.0176650 -0.3021762 2.2612067 ---------------------------------------------------------------------------- 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: 4187 Number of blocks in projector: 4187 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: 904 Use submatrix version of eigh solver. (1) Block: 500 / 904 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 904 / 904 (1) 388 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 497 Use standard eigh solver. Tree of FC basis block matrices: - (4187, 4119), data: False |-- (497, 489), data: True |-- (497, 489), data: True |-- (497, 489), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (904, 888), data: False |-- (904, 16), data: (904, 32) @ (32, 16) |-- (404, 388), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.051 Solver_block: 200 / 960 - Time: 0.979 Solver_block: 300 / 960 - Time: 0.962 Solver_block: 400 / 960 - Time: 0.962 Solver_block: 500 / 960 - Time: 0.958 Solver_block: 600 / 960 - Time: 0.977 Solver_block: 700 / 960 - Time: 0.964 Solver_block: 800 / 960 - Time: 0.967 Solver_block: 900 / 960 - Time: 0.970 Solver_block: 960 / 960 - Time: 0.640 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.671 --------------------------------- 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: 4187 Number of blocks in projector: 4187 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: 904 Use submatrix version of eigh solver. (1) Block: 500 / 904 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 904 / 904 (1) 388 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 497 Use standard eigh solver. Tree of FC basis block matrices: - (4187, 4119), data: False |-- (497, 489), data: True |-- (497, 489), data: True |-- (497, 489), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (904, 888), data: False |-- (904, 16), data: (904, 32) @ (32, 16) |-- (404, 388), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), 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 2026-01-07 19:31:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:31:27]------------------------- 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: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.873589850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.113699339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.913460489999999 Atomic positions (fractional): 1 O 0.61632100940104 0.05791551385076 0.94628951486727 15.999 2 O 0.38367899059896 0.05791551385076 0.55371048513273 15.999 3 O 0.88367899059896 0.44208448614924 0.44628951486727 15.999 4 O 0.11632100940104 0.44208448614924 0.05371048513273 15.999 5 O 0.38367899059896 0.94208448614924 0.05371048513273 15.999 6 O 0.61632100940104 0.94208448614924 0.44628951486727 15.999 7 O 0.11632100940104 0.55791551385076 0.55371048513273 15.999 8 O 0.88367899059896 0.55791551385076 0.94628951486727 15.999 9 O 0.83657682646945 0.06038400426577 0.85273569813653 15.999 10 O 0.16342317353055 0.06038400426577 0.64726430186347 15.999 11 O 0.66342317353055 0.43961599573423 0.35273569813653 15.999 12 O 0.33657682646945 0.43961599573423 0.14726430186347 15.999 13 O 0.16342317353055 0.93961599573423 0.14726430186347 15.999 14 O 0.83657682646945 0.93961599573423 0.35273569813653 15.999 15 O 0.80245141260226 0.37622606117810 0.65769067817344 15.999 16 O 0.33657682646945 0.56038400426577 0.64726430186347 15.999 17 O 0.57701985344319 0.38578978069226 0.58826351000771 15.999 18 O 0.42298014655681 0.38578978069226 0.91173648999229 15.999 19 O 0.92298014655681 0.11421021930774 0.08826351000771 15.999 20 O 0.07701985344319 0.11421021930774 0.41173648999229 15.999 21 O 0.42298014655681 0.61421021930774 0.41173648999229 15.999 22 O 0.57701985344319 0.61421021930774 0.08826351000771 15.999 23 O 0.07701985344319 0.88578978069226 0.91173648999229 15.999 24 O 0.92298014655681 0.88578978069226 0.58826351000771 15.999 25 O 0.50000000000000 0.97600434266555 0.75000000000000 15.999 26 O 0.00000000000000 0.52399565733445 0.25000000000000 15.999 27 O 0.50000000000000 0.02399565733445 0.25000000000000 15.999 28 O 0.00000000000000 0.47600434266555 0.75000000000000 15.999 29 O 0.69754858739774 0.87622606117810 0.65769067817344 15.999 30 O 0.30245141260226 0.87622606117810 0.84230932182656 15.999 31 O 0.80245141260226 0.62377393882190 0.15769067817344 15.999 32 O 0.19754858739774 0.62377393882190 0.34230932182656 15.999 33 O 0.30245141260226 0.12377393882190 0.34230932182656 15.999 34 O 0.69754858739774 0.12377393882190 0.15769067817344 15.999 35 O 0.19754858739774 0.37622606117810 0.84230932182656 15.999 36 O 0.66342317353055 0.56038400426577 0.85273569813653 15.999 37 Nd 0.98783274138978 0.25764653639463 0.58930134717935 144.242 38 Nd 0.01216725861022 0.25764653639463 0.91069865282065 144.242 39 Nd 0.51216725861022 0.24235346360537 0.08930134717935 144.242 40 Nd 0.48783274138978 0.24235346360537 0.41069865282065 144.242 41 Nd 0.01216725861022 0.74235346360537 0.41069865282065 144.242 42 Nd 0.98783274138978 0.74235346360537 0.08930134717935 144.242 43 Nd 0.48783274138978 0.75764653639463 0.91069865282065 144.242 44 Nd 0.51216725861022 0.75764653639463 0.58930134717935 144.242 45 Nd 0.65936364669365 0.19824821212306 0.76453276044991 144.242 46 Nd 0.34063635330635 0.19824821212306 0.73546723955009 144.242 47 Nd 0.84063635330635 0.30175178787694 0.26453276044990 144.242 48 Nd 0.15936364669365 0.30175178787694 0.23546723955009 144.242 49 Nd 0.34063635330635 0.80175178787694 0.23546723955009 144.242 50 Nd 0.65936364669365 0.80175178787694 0.26453276044990 144.242 51 Nd 0.15936364669365 0.69824821212306 0.73546723955009 144.242 52 Nd 0.84063635330635 0.69824821212306 0.76453276044991 144.242 53 Au 0.72812175319761 0.41921075181987 0.51077484042046 196.967 54 Au 0.27187824680239 0.41921075181987 0.98922515957954 196.967 55 Au 0.77187824680239 0.08078924818013 0.01077484042046 196.967 56 Au 0.22812175319761 0.08078924818013 0.48922515957954 196.967 57 Au 0.27187824680239 0.58078924818013 0.48922515957954 196.967 58 Au 0.72812175319761 0.58078924818013 0.01077484042046 196.967 59 Au 0.22812175319761 0.91921075181987 0.98922515957954 196.967 60 Au 0.77187824680239 0.91921075181987 0.51077484042046 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.873589850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.227398679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.913460489999999 Atomic positions (fractional): 1 O 0.61632100940104 0.02895775692538 0.94628951486727 15.999 > 1 2 O 0.61632100940104 0.52895775692538 0.94628951486727 15.999 > 1 3 O 0.38367899059896 0.02895775692538 0.55371048513273 15.999 > 3 4 O 0.38367899059896 0.52895775692538 0.55371048513273 15.999 > 3 5 O 0.88367899059896 0.22104224307462 0.44628951486727 15.999 > 5 6 O 0.88367899059896 0.72104224307462 0.44628951486727 15.999 > 5 7 O 0.11632100940104 0.22104224307462 0.05371048513273 15.999 > 7 8 O 0.11632100940104 0.72104224307462 0.05371048513273 15.999 > 7 9 O 0.38367899059896 0.47104224307462 0.05371048513273 15.999 > 9 10 O 0.38367899059896 0.97104224307462 0.05371048513273 15.999 > 9 11 O 0.61632100940104 0.47104224307462 0.44628951486727 15.999 > 11 12 O 0.61632100940104 0.97104224307462 0.44628951486727 15.999 > 11 13 O 0.11632100940104 0.27895775692538 0.55371048513273 15.999 > 13 14 O 0.11632100940104 0.77895775692538 0.55371048513273 15.999 > 13 15 O 0.88367899059896 0.27895775692538 0.94628951486727 15.999 > 15 16 O 0.88367899059896 0.77895775692538 0.94628951486727 15.999 > 15 17 O 0.83657682646945 0.03019200213288 0.85273569813653 15.999 > 17 18 O 0.83657682646945 0.53019200213288 0.85273569813653 15.999 > 17 19 O 0.16342317353055 0.03019200213288 0.64726430186347 15.999 > 19 20 O 0.16342317353055 0.53019200213288 0.64726430186347 15.999 > 19 21 O 0.66342317353055 0.21980799786712 0.35273569813653 15.999 > 21 22 O 0.66342317353055 0.71980799786712 0.35273569813653 15.999 > 21 23 O 0.33657682646945 0.21980799786712 0.14726430186347 15.999 > 23 24 O 0.33657682646945 0.71980799786712 0.14726430186347 15.999 > 23 25 O 0.16342317353055 0.46980799786712 0.14726430186347 15.999 > 25 26 O 0.16342317353055 0.96980799786712 0.14726430186347 15.999 > 25 27 O 0.83657682646945 0.46980799786712 0.35273569813653 15.999 > 27 28 O 0.83657682646945 0.96980799786712 0.35273569813653 15.999 > 27 29 O 0.80245141260226 0.18811303058905 0.65769067817344 15.999 > 29 30 O 0.80245141260226 0.68811303058905 0.65769067817344 15.999 > 29 31 O 0.33657682646945 0.28019200213288 0.64726430186347 15.999 > 31 32 O 0.33657682646945 0.78019200213288 0.64726430186347 15.999 > 31 33 O 0.57701985344319 0.19289489034613 0.58826351000771 15.999 > 33 34 O 0.57701985344319 0.69289489034613 0.58826351000771 15.999 > 33 35 O 0.42298014655681 0.19289489034613 0.91173648999229 15.999 > 35 36 O 0.42298014655681 0.69289489034613 0.91173648999229 15.999 > 35 37 O 0.92298014655681 0.05710510965387 0.08826351000771 15.999 > 37 38 O 0.92298014655681 0.55710510965387 0.08826351000771 15.999 > 37 39 O 0.07701985344319 0.05710510965387 0.41173648999229 15.999 > 39 40 O 0.07701985344319 0.55710510965387 0.41173648999229 15.999 > 39 41 O 0.42298014655681 0.30710510965387 0.41173648999229 15.999 > 41 42 O 0.42298014655681 0.80710510965387 0.41173648999229 15.999 > 41 43 O 0.57701985344319 0.30710510965387 0.08826351000771 15.999 > 43 44 O 0.57701985344319 0.80710510965387 0.08826351000771 15.999 > 43 45 O 0.07701985344319 0.44289489034613 0.91173648999229 15.999 > 45 46 O 0.07701985344319 0.94289489034613 0.91173648999229 15.999 > 45 47 O 0.92298014655681 0.44289489034613 0.58826351000771 15.999 > 47 48 O 0.92298014655681 0.94289489034613 0.58826351000771 15.999 > 47 49 O 0.50000000000000 0.48800217133278 0.75000000000000 15.999 > 49 50 O 0.50000000000000 0.98800217133278 0.75000000000000 15.999 > 49 51 O 0.00000000000000 0.26199782866722 0.25000000000000 15.999 > 51 52 O 0.00000000000000 0.76199782866722 0.25000000000000 15.999 > 51 53 O 0.50000000000000 0.01199782866722 0.25000000000000 15.999 > 53 54 O 0.50000000000000 0.51199782866722 0.25000000000000 15.999 > 53 55 O 0.00000000000000 0.23800217133278 0.75000000000000 15.999 > 55 56 O 0.00000000000000 0.73800217133278 0.75000000000000 15.999 > 55 57 O 0.69754858739774 0.43811303058905 0.65769067817344 15.999 > 57 58 O 0.69754858739774 0.93811303058905 0.65769067817344 15.999 > 57 59 O 0.30245141260226 0.43811303058905 0.84230932182656 15.999 > 59 60 O 0.30245141260226 0.93811303058905 0.84230932182656 15.999 > 59 61 O 0.80245141260226 0.31188696941095 0.15769067817344 15.999 > 61 62 O 0.80245141260226 0.81188696941095 0.15769067817344 15.999 > 61 63 O 0.19754858739774 0.31188696941095 0.34230932182656 15.999 > 63 64 O 0.19754858739774 0.81188696941095 0.34230932182656 15.999 > 63 65 O 0.30245141260226 0.06188696941095 0.34230932182656 15.999 > 65 66 O 0.30245141260226 0.56188696941095 0.34230932182656 15.999 > 65 67 O 0.69754858739774 0.06188696941095 0.15769067817344 15.999 > 67 68 O 0.69754858739774 0.56188696941095 0.15769067817344 15.999 > 67 69 O 0.19754858739774 0.18811303058905 0.84230932182656 15.999 > 69 70 O 0.19754858739774 0.68811303058905 0.84230932182656 15.999 > 69 71 O 0.66342317353055 0.28019200213288 0.85273569813653 15.999 > 71 72 O 0.66342317353055 0.78019200213288 0.85273569813653 15.999 > 71 73 Nd 0.98783274138978 0.12882326819732 0.58930134717935 144.242 > 73 74 Nd 0.98783274138978 0.62882326819732 0.58930134717935 144.242 > 73 75 Nd 0.01216725861022 0.12882326819732 0.91069865282065 144.242 > 75 76 Nd 0.01216725861022 0.62882326819732 0.91069865282065 144.242 > 75 77 Nd 0.51216725861022 0.12117673180268 0.08930134717935 144.242 > 77 78 Nd 0.51216725861022 0.62117673180268 0.08930134717935 144.242 > 77 79 Nd 0.48783274138978 0.12117673180268 0.41069865282065 144.242 > 79 80 Nd 0.48783274138978 0.62117673180268 0.41069865282065 144.242 > 79 81 Nd 0.01216725861022 0.37117673180268 0.41069865282065 144.242 > 81 82 Nd 0.01216725861022 0.87117673180268 0.41069865282065 144.242 > 81 83 Nd 0.98783274138978 0.37117673180268 0.08930134717935 144.242 > 83 84 Nd 0.98783274138978 0.87117673180268 0.08930134717935 144.242 > 83 85 Nd 0.48783274138978 0.37882326819732 0.91069865282065 144.242 > 85 86 Nd 0.48783274138978 0.87882326819732 0.91069865282065 144.242 > 85 87 Nd 0.51216725861022 0.37882326819732 0.58930134717935 144.242 > 87 88 Nd 0.51216725861022 0.87882326819732 0.58930134717935 144.242 > 87 89 Nd 0.65936364669365 0.09912410606153 0.76453276044991 144.242 > 89 90 Nd 0.65936364669365 0.59912410606153 0.76453276044991 144.242 > 89 91 Nd 0.34063635330635 0.09912410606153 0.73546723955009 144.242 > 91 92 Nd 0.34063635330635 0.59912410606153 0.73546723955009 144.242 > 91 93 Nd 0.84063635330635 0.15087589393847 0.26453276044990 144.242 > 93 94 Nd 0.84063635330635 0.65087589393847 0.26453276044990 144.242 > 93 95 Nd 0.15936364669365 0.15087589393847 0.23546723955009 144.242 > 95 96 Nd 0.15936364669365 0.65087589393847 0.23546723955009 144.242 > 95 97 Nd 0.34063635330635 0.40087589393847 0.23546723955009 144.242 > 97 98 Nd 0.34063635330635 0.90087589393847 0.23546723955009 144.242 > 97 99 Nd 0.65936364669365 0.40087589393847 0.26453276044990 144.242 > 99 100 Nd 0.65936364669365 0.90087589393847 0.26453276044990 144.242 > 99 101 Nd 0.15936364669365 0.34912410606153 0.73546723955009 144.242 > 101 102 Nd 0.15936364669365 0.84912410606153 0.73546723955009 144.242 > 101 103 Nd 0.84063635330635 0.34912410606153 0.76453276044991 144.242 > 103 104 Nd 0.84063635330635 0.84912410606153 0.76453276044991 144.242 > 103 105 Au 0.72812175319761 0.20960537590994 0.51077484042046 196.967 > 105 106 Au 0.72812175319761 0.70960537590994 0.51077484042046 196.967 > 105 107 Au 0.27187824680239 0.20960537590994 0.98922515957954 196.967 > 107 108 Au 0.27187824680239 0.70960537590994 0.98922515957954 196.967 > 107 109 Au 0.77187824680239 0.04039462409006 0.01077484042046 196.967 > 109 110 Au 0.77187824680239 0.54039462409006 0.01077484042046 196.967 > 109 111 Au 0.22812175319761 0.04039462409006 0.48922515957954 196.967 > 111 112 Au 0.22812175319761 0.54039462409006 0.48922515957954 196.967 > 111 113 Au 0.27187824680239 0.29039462409006 0.48922515957954 196.967 > 113 114 Au 0.27187824680239 0.79039462409006 0.48922515957954 196.967 > 113 115 Au 0.72812175319761 0.29039462409006 0.01077484042046 196.967 > 115 116 Au 0.72812175319761 0.79039462409006 0.01077484042046 196.967 > 115 117 Au 0.22812175319761 0.45960537590994 0.98922515957954 196.967 > 117 118 Au 0.22812175319761 0.95960537590994 0.98922515957954 196.967 > 117 119 Au 0.77187824680239 0.45960537590994 0.51077484042046 196.967 > 119 120 Au 0.77187824680239 0.95960537590994 0.51077484042046 196.967 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7083593 0.0000000 0.0000000 0.0000000 4.7594559 0.0000000 0.0000000 0.0000000 5.6186597 -------------------------- Born effective charges -------------------------- 1 O -2.7832748 -0.3385399 -0.0324024 -0.2275162 -1.6901473 -0.0381153 -0.2524999 -0.1308728 -1.8641386 2 O -2.7832748 0.3385399 -0.0324024 0.2275162 -1.6901473 0.0381153 -0.2524999 0.1308728 -1.8641386 3 O -2.7832748 -0.3385399 0.0324024 -0.2275162 -1.6901473 0.0381153 0.2524999 0.1308728 -1.8641386 4 O -2.7832748 0.3385399 0.0324024 0.2275162 -1.6901473 -0.0381153 0.2524999 -0.1308728 -1.8641386 5 O -2.7832748 -0.3385399 -0.0324024 -0.2275162 -1.6901473 -0.0381153 -0.2524999 -0.1308728 -1.8641386 6 O -2.7832748 0.3385399 -0.0324024 0.2275162 -1.6901473 0.0381153 -0.2524999 0.1308728 -1.8641386 7 O -2.7832748 -0.3385399 0.0324024 -0.2275162 -1.6901473 0.0381153 0.2524999 0.1308728 -1.8641386 8 O -2.7832748 0.3385399 0.0324024 0.2275162 -1.6901473 -0.0381153 0.2524999 -0.1308728 -1.8641386 9 O -2.0114210 0.0593221 0.2143899 -0.1063977 -1.8017105 -0.2470999 0.0319010 -0.4799388 -2.7125894 10 O -2.0114210 -0.0593221 0.2143899 0.1063977 -1.8017105 0.2470999 0.0319010 0.4799388 -2.7125894 11 O -2.0114210 0.0593221 -0.2143899 -0.1063977 -1.8017105 0.2470999 -0.0319010 0.4799388 -2.7125894 12 O -2.0114210 -0.0593221 -0.2143899 0.1063977 -1.8017105 -0.2470999 -0.0319010 -0.4799388 -2.7125894 13 O -2.0114210 0.0593221 0.2143899 -0.1063977 -1.8017105 -0.2470999 0.0319010 -0.4799388 -2.7125894 14 O -2.0114210 -0.0593221 0.2143899 0.1063977 -1.8017105 0.2470999 0.0319010 0.4799388 -2.7125894 15 O -1.6840789 -0.1040621 -0.1075161 -0.0975229 -1.7401131 -0.0520786 -0.0182582 -0.2349371 -2.6770537 16 O -2.0114210 0.0593221 -0.2143899 -0.1063977 -1.8017105 0.2470999 -0.0319010 0.4799388 -2.7125894 17 O -2.4418917 0.3095921 0.2271215 0.0373076 -1.9206492 0.0343567 0.1639695 0.0120713 -1.8340698 18 O -2.4418917 -0.3095921 0.2271215 -0.0373076 -1.9206492 -0.0343567 0.1639695 -0.0120713 -1.8340698 19 O -2.4418917 0.3095921 -0.2271215 0.0373076 -1.9206492 -0.0343567 -0.1639695 -0.0120713 -1.8340698 20 O -2.4418917 -0.3095921 -0.2271215 -0.0373076 -1.9206492 0.0343567 -0.1639695 0.0120713 -1.8340698 21 O -2.4418917 0.3095921 0.2271215 0.0373076 -1.9206492 0.0343567 0.1639695 0.0120713 -1.8340698 22 O -2.4418917 -0.3095921 0.2271215 -0.0373076 -1.9206492 -0.0343567 0.1639695 -0.0120713 -1.8340698 23 O -2.4418917 0.3095921 -0.2271215 0.0373076 -1.9206492 -0.0343567 -0.1639695 -0.0120713 -1.8340698 24 O -2.4418917 -0.3095921 -0.2271215 -0.0373076 -1.9206492 0.0343567 -0.1639695 0.0120713 -1.8340698 25 O -2.9360501 0.0000000 -0.1237780 0.0000000 -2.4567072 0.0000000 0.1922774 0.0000000 -2.9126624 26 O -2.9360501 0.0000000 0.1237780 0.0000000 -2.4567072 0.0000000 -0.1922774 0.0000000 -2.9126624 27 O -2.9360501 0.0000000 -0.1237780 0.0000000 -2.4567072 0.0000000 0.1922774 0.0000000 -2.9126624 28 O -2.9360501 0.0000000 0.1237780 0.0000000 -2.4567072 0.0000000 -0.1922774 0.0000000 -2.9126624 29 O -1.6840789 0.1040621 0.1075161 0.0975229 -1.7401131 -0.0520786 0.0182582 -0.2349371 -2.6770537 30 O -1.6840789 -0.1040621 0.1075161 -0.0975229 -1.7401131 0.0520786 0.0182582 0.2349371 -2.6770537 31 O -1.6840789 0.1040621 -0.1075161 0.0975229 -1.7401131 0.0520786 -0.0182582 0.2349371 -2.6770537 32 O -1.6840789 -0.1040621 -0.1075161 -0.0975229 -1.7401131 -0.0520786 -0.0182582 -0.2349371 -2.6770537 33 O -1.6840789 0.1040621 0.1075161 0.0975229 -1.7401131 -0.0520786 0.0182582 -0.2349371 -2.6770537 34 O -1.6840789 -0.1040621 0.1075161 -0.0975229 -1.7401131 0.0520786 0.0182582 0.2349371 -2.6770537 35 O -1.6840789 0.1040621 -0.1075161 0.0975229 -1.7401131 0.0520786 -0.0182582 0.2349371 -2.6770537 36 O -2.0114210 -0.0593221 -0.2143899 0.1063977 -1.8017105 -0.2470999 -0.0319010 -0.4799388 -2.7125894 37 Nd 4.9435399 0.2310208 0.0029552 -0.1969482 4.1404687 0.6133550 -0.0906854 0.5223349 3.2707237 38 Nd 4.9435399 -0.2310208 0.0029552 0.1969482 4.1404687 -0.6133550 -0.0906854 -0.5223349 3.2707237 39 Nd 4.9435399 0.2310208 -0.0029552 -0.1969482 4.1404687 -0.6133550 0.0906854 -0.5223349 3.2707237 40 Nd 4.9435399 -0.2310208 -0.0029552 0.1969482 4.1404687 0.6133550 0.0906854 0.5223349 3.2707237 41 Nd 4.9435399 0.2310208 0.0029552 -0.1969482 4.1404687 0.6133550 -0.0906854 0.5223349 3.2707237 42 Nd 4.9435399 -0.2310208 0.0029552 0.1969482 4.1404687 -0.6133550 -0.0906854 -0.5223349 3.2707237 43 Nd 4.9435399 0.2310208 -0.0029552 -0.1969482 4.1404687 -0.6133550 0.0906854 -0.5223349 3.2707237 44 Nd 4.9435399 -0.2310208 -0.0029552 0.1969482 4.1404687 0.6133550 0.0906854 0.5223349 3.2707237 45 Nd 3.3489207 0.3740804 -0.0796299 0.4575351 4.0806107 -0.2378978 -0.1240044 0.2777000 5.0122525 46 Nd 3.3489207 -0.3740804 -0.0796299 -0.4575351 4.0806107 0.2378978 -0.1240044 -0.2777000 5.0122525 47 Nd 3.3489207 0.3740804 0.0796299 0.4575351 4.0806107 0.2378978 0.1240044 -0.2777000 5.0122525 48 Nd 3.3489207 -0.3740804 0.0796299 -0.4575351 4.0806107 -0.2378978 0.1240044 0.2777000 5.0122525 49 Nd 3.3489207 0.3740804 -0.0796299 0.4575351 4.0806107 -0.2378978 -0.1240044 0.2777000 5.0122525 50 Nd 3.3489207 -0.3740804 -0.0796299 -0.4575351 4.0806107 0.2378978 -0.1240044 -0.2777000 5.0122525 51 Nd 3.3489207 0.3740804 0.0796299 0.4575351 4.0806107 0.2378978 0.1240044 -0.2777000 5.0122525 52 Nd 3.3489207 -0.3740804 0.0796299 -0.4575351 4.0806107 -0.2378978 0.1240044 0.2777000 5.0122525 53 Au 2.0962309 0.1243054 0.0010672 0.1607561 0.1598942 -0.2429967 -0.0176650 -0.3021762 2.2612067 54 Au 2.0962309 -0.1243054 0.0010672 -0.1607561 0.1598942 0.2429967 -0.0176650 0.3021762 2.2612067 55 Au 2.0962309 0.1243054 -0.0010672 0.1607561 0.1598942 0.2429967 0.0176650 0.3021762 2.2612067 56 Au 2.0962309 -0.1243054 -0.0010672 -0.1607561 0.1598942 -0.2429967 0.0176650 -0.3021762 2.2612067 57 Au 2.0962309 0.1243054 0.0010672 0.1607561 0.1598942 -0.2429967 -0.0176650 -0.3021762 2.2612067 58 Au 2.0962309 -0.1243054 0.0010672 -0.1607561 0.1598942 0.2429967 -0.0176650 0.3021762 2.2612067 59 Au 2.0962309 0.1243054 -0.0010672 0.1607561 0.1598942 0.2429967 0.0176650 0.3021762 2.2612067 60 Au 2.0962309 -0.1243054 -0.0010672 -0.1607561 0.1598942 -0.2429967 0.0176650 -0.3021762 2.2612067 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:32:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:32:14]------------------------- 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: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.873589850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.113699339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.913460489999999 Atomic positions (fractional): 1 O 0.61632100940104 0.05791551385076 0.94628951486727 15.999 2 O 0.38367899059896 0.05791551385076 0.55371048513273 15.999 3 O 0.88367899059896 0.44208448614924 0.44628951486727 15.999 4 O 0.11632100940104 0.44208448614924 0.05371048513273 15.999 5 O 0.38367899059896 0.94208448614924 0.05371048513273 15.999 6 O 0.61632100940104 0.94208448614924 0.44628951486727 15.999 7 O 0.11632100940104 0.55791551385076 0.55371048513273 15.999 8 O 0.88367899059896 0.55791551385076 0.94628951486727 15.999 9 O 0.83657682646945 0.06038400426577 0.85273569813653 15.999 10 O 0.16342317353055 0.06038400426577 0.64726430186347 15.999 11 O 0.66342317353055 0.43961599573423 0.35273569813653 15.999 12 O 0.33657682646945 0.43961599573423 0.14726430186347 15.999 13 O 0.16342317353055 0.93961599573423 0.14726430186347 15.999 14 O 0.83657682646945 0.93961599573423 0.35273569813653 15.999 15 O 0.80245141260226 0.37622606117810 0.65769067817344 15.999 16 O 0.33657682646945 0.56038400426577 0.64726430186347 15.999 17 O 0.57701985344319 0.38578978069226 0.58826351000771 15.999 18 O 0.42298014655681 0.38578978069226 0.91173648999229 15.999 19 O 0.92298014655681 0.11421021930774 0.08826351000771 15.999 20 O 0.07701985344319 0.11421021930774 0.41173648999229 15.999 21 O 0.42298014655681 0.61421021930774 0.41173648999229 15.999 22 O 0.57701985344319 0.61421021930774 0.08826351000771 15.999 23 O 0.07701985344319 0.88578978069226 0.91173648999229 15.999 24 O 0.92298014655681 0.88578978069226 0.58826351000771 15.999 25 O 0.50000000000000 0.97600434266555 0.75000000000000 15.999 26 O 0.00000000000000 0.52399565733445 0.25000000000000 15.999 27 O 0.50000000000000 0.02399565733445 0.25000000000000 15.999 28 O 0.00000000000000 0.47600434266555 0.75000000000000 15.999 29 O 0.69754858739774 0.87622606117810 0.65769067817344 15.999 30 O 0.30245141260226 0.87622606117810 0.84230932182656 15.999 31 O 0.80245141260226 0.62377393882190 0.15769067817344 15.999 32 O 0.19754858739774 0.62377393882190 0.34230932182656 15.999 33 O 0.30245141260226 0.12377393882190 0.34230932182656 15.999 34 O 0.69754858739774 0.12377393882190 0.15769067817344 15.999 35 O 0.19754858739774 0.37622606117810 0.84230932182656 15.999 36 O 0.66342317353055 0.56038400426577 0.85273569813653 15.999 37 Nd 0.98783274138978 0.25764653639463 0.58930134717935 144.242 38 Nd 0.01216725861022 0.25764653639463 0.91069865282065 144.242 39 Nd 0.51216725861022 0.24235346360537 0.08930134717935 144.242 40 Nd 0.48783274138978 0.24235346360537 0.41069865282065 144.242 41 Nd 0.01216725861022 0.74235346360537 0.41069865282065 144.242 42 Nd 0.98783274138978 0.74235346360537 0.08930134717935 144.242 43 Nd 0.48783274138978 0.75764653639463 0.91069865282065 144.242 44 Nd 0.51216725861022 0.75764653639463 0.58930134717935 144.242 45 Nd 0.65936364669365 0.19824821212306 0.76453276044991 144.242 46 Nd 0.34063635330635 0.19824821212306 0.73546723955009 144.242 47 Nd 0.84063635330635 0.30175178787694 0.26453276044990 144.242 48 Nd 0.15936364669365 0.30175178787694 0.23546723955009 144.242 49 Nd 0.34063635330635 0.80175178787694 0.23546723955009 144.242 50 Nd 0.65936364669365 0.80175178787694 0.26453276044990 144.242 51 Nd 0.15936364669365 0.69824821212306 0.73546723955009 144.242 52 Nd 0.84063635330635 0.69824821212306 0.76453276044991 144.242 53 Au 0.72812175319761 0.41921075181987 0.51077484042046 196.967 54 Au 0.27187824680239 0.41921075181987 0.98922515957954 196.967 55 Au 0.77187824680239 0.08078924818013 0.01077484042046 196.967 56 Au 0.22812175319761 0.08078924818013 0.48922515957954 196.967 57 Au 0.27187824680239 0.58078924818013 0.48922515957954 196.967 58 Au 0.72812175319761 0.58078924818013 0.01077484042046 196.967 59 Au 0.22812175319761 0.91921075181987 0.98922515957954 196.967 60 Au 0.77187824680239 0.91921075181987 0.51077484042046 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.873589850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.227398679999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.913460489999999 Atomic positions (fractional): 1 O 0.61632100940104 0.02895775692538 0.94628951486727 15.999 > 1 2 O 0.61632100940104 0.52895775692538 0.94628951486727 15.999 > 1 3 O 0.38367899059896 0.02895775692538 0.55371048513273 15.999 > 3 4 O 0.38367899059896 0.52895775692538 0.55371048513273 15.999 > 3 5 O 0.88367899059896 0.22104224307462 0.44628951486727 15.999 > 5 6 O 0.88367899059896 0.72104224307462 0.44628951486727 15.999 > 5 7 O 0.11632100940104 0.22104224307462 0.05371048513273 15.999 > 7 8 O 0.11632100940104 0.72104224307462 0.05371048513273 15.999 > 7 9 O 0.38367899059896 0.47104224307462 0.05371048513273 15.999 > 9 10 O 0.38367899059896 0.97104224307462 0.05371048513273 15.999 > 9 11 O 0.61632100940104 0.47104224307462 0.44628951486727 15.999 > 11 12 O 0.61632100940104 0.97104224307462 0.44628951486727 15.999 > 11 13 O 0.11632100940104 0.27895775692538 0.55371048513273 15.999 > 13 14 O 0.11632100940104 0.77895775692538 0.55371048513273 15.999 > 13 15 O 0.88367899059896 0.27895775692538 0.94628951486727 15.999 > 15 16 O 0.88367899059896 0.77895775692538 0.94628951486727 15.999 > 15 17 O 0.83657682646945 0.03019200213288 0.85273569813653 15.999 > 17 18 O 0.83657682646945 0.53019200213288 0.85273569813653 15.999 > 17 19 O 0.16342317353055 0.03019200213288 0.64726430186347 15.999 > 19 20 O 0.16342317353055 0.53019200213288 0.64726430186347 15.999 > 19 21 O 0.66342317353055 0.21980799786712 0.35273569813653 15.999 > 21 22 O 0.66342317353055 0.71980799786712 0.35273569813653 15.999 > 21 23 O 0.33657682646945 0.21980799786712 0.14726430186347 15.999 > 23 24 O 0.33657682646945 0.71980799786712 0.14726430186347 15.999 > 23 25 O 0.16342317353055 0.46980799786712 0.14726430186347 15.999 > 25 26 O 0.16342317353055 0.96980799786712 0.14726430186347 15.999 > 25 27 O 0.83657682646945 0.46980799786712 0.35273569813653 15.999 > 27 28 O 0.83657682646945 0.96980799786712 0.35273569813653 15.999 > 27 29 O 0.80245141260226 0.18811303058905 0.65769067817344 15.999 > 29 30 O 0.80245141260226 0.68811303058905 0.65769067817344 15.999 > 29 31 O 0.33657682646945 0.28019200213288 0.64726430186347 15.999 > 31 32 O 0.33657682646945 0.78019200213288 0.64726430186347 15.999 > 31 33 O 0.57701985344319 0.19289489034613 0.58826351000771 15.999 > 33 34 O 0.57701985344319 0.69289489034613 0.58826351000771 15.999 > 33 35 O 0.42298014655681 0.19289489034613 0.91173648999229 15.999 > 35 36 O 0.42298014655681 0.69289489034613 0.91173648999229 15.999 > 35 37 O 0.92298014655681 0.05710510965387 0.08826351000771 15.999 > 37 38 O 0.92298014655681 0.55710510965387 0.08826351000771 15.999 > 37 39 O 0.07701985344319 0.05710510965387 0.41173648999229 15.999 > 39 40 O 0.07701985344319 0.55710510965387 0.41173648999229 15.999 > 39 41 O 0.42298014655681 0.30710510965387 0.41173648999229 15.999 > 41 42 O 0.42298014655681 0.80710510965387 0.41173648999229 15.999 > 41 43 O 0.57701985344319 0.30710510965387 0.08826351000771 15.999 > 43 44 O 0.57701985344319 0.80710510965387 0.08826351000771 15.999 > 43 45 O 0.07701985344319 0.44289489034613 0.91173648999229 15.999 > 45 46 O 0.07701985344319 0.94289489034613 0.91173648999229 15.999 > 45 47 O 0.92298014655681 0.44289489034613 0.58826351000771 15.999 > 47 48 O 0.92298014655681 0.94289489034613 0.58826351000771 15.999 > 47 49 O 0.50000000000000 0.48800217133278 0.75000000000000 15.999 > 49 50 O 0.50000000000000 0.98800217133278 0.75000000000000 15.999 > 49 51 O 0.00000000000000 0.26199782866722 0.25000000000000 15.999 > 51 52 O 0.00000000000000 0.76199782866722 0.25000000000000 15.999 > 51 53 O 0.50000000000000 0.01199782866722 0.25000000000000 15.999 > 53 54 O 0.50000000000000 0.51199782866722 0.25000000000000 15.999 > 53 55 O 0.00000000000000 0.23800217133278 0.75000000000000 15.999 > 55 56 O 0.00000000000000 0.73800217133278 0.75000000000000 15.999 > 55 57 O 0.69754858739774 0.43811303058905 0.65769067817344 15.999 > 57 58 O 0.69754858739774 0.93811303058905 0.65769067817344 15.999 > 57 59 O 0.30245141260226 0.43811303058905 0.84230932182656 15.999 > 59 60 O 0.30245141260226 0.93811303058905 0.84230932182656 15.999 > 59 61 O 0.80245141260226 0.31188696941095 0.15769067817344 15.999 > 61 62 O 0.80245141260226 0.81188696941095 0.15769067817344 15.999 > 61 63 O 0.19754858739774 0.31188696941095 0.34230932182656 15.999 > 63 64 O 0.19754858739774 0.81188696941095 0.34230932182656 15.999 > 63 65 O 0.30245141260226 0.06188696941095 0.34230932182656 15.999 > 65 66 O 0.30245141260226 0.56188696941095 0.34230932182656 15.999 > 65 67 O 0.69754858739774 0.06188696941095 0.15769067817344 15.999 > 67 68 O 0.69754858739774 0.56188696941095 0.15769067817344 15.999 > 67 69 O 0.19754858739774 0.18811303058905 0.84230932182656 15.999 > 69 70 O 0.19754858739774 0.68811303058905 0.84230932182656 15.999 > 69 71 O 0.66342317353055 0.28019200213288 0.85273569813653 15.999 > 71 72 O 0.66342317353055 0.78019200213288 0.85273569813653 15.999 > 71 73 Nd 0.98783274138978 0.12882326819732 0.58930134717935 144.242 > 73 74 Nd 0.98783274138978 0.62882326819732 0.58930134717935 144.242 > 73 75 Nd 0.01216725861022 0.12882326819732 0.91069865282065 144.242 > 75 76 Nd 0.01216725861022 0.62882326819732 0.91069865282065 144.242 > 75 77 Nd 0.51216725861022 0.12117673180268 0.08930134717935 144.242 > 77 78 Nd 0.51216725861022 0.62117673180268 0.08930134717935 144.242 > 77 79 Nd 0.48783274138978 0.12117673180268 0.41069865282065 144.242 > 79 80 Nd 0.48783274138978 0.62117673180268 0.41069865282065 144.242 > 79 81 Nd 0.01216725861022 0.37117673180268 0.41069865282065 144.242 > 81 82 Nd 0.01216725861022 0.87117673180268 0.41069865282065 144.242 > 81 83 Nd 0.98783274138978 0.37117673180268 0.08930134717935 144.242 > 83 84 Nd 0.98783274138978 0.87117673180268 0.08930134717935 144.242 > 83 85 Nd 0.48783274138978 0.37882326819732 0.91069865282065 144.242 > 85 86 Nd 0.48783274138978 0.87882326819732 0.91069865282065 144.242 > 85 87 Nd 0.51216725861022 0.37882326819732 0.58930134717935 144.242 > 87 88 Nd 0.51216725861022 0.87882326819732 0.58930134717935 144.242 > 87 89 Nd 0.65936364669365 0.09912410606153 0.76453276044991 144.242 > 89 90 Nd 0.65936364669365 0.59912410606153 0.76453276044991 144.242 > 89 91 Nd 0.34063635330635 0.09912410606153 0.73546723955009 144.242 > 91 92 Nd 0.34063635330635 0.59912410606153 0.73546723955009 144.242 > 91 93 Nd 0.84063635330635 0.15087589393847 0.26453276044990 144.242 > 93 94 Nd 0.84063635330635 0.65087589393847 0.26453276044990 144.242 > 93 95 Nd 0.15936364669365 0.15087589393847 0.23546723955009 144.242 > 95 96 Nd 0.15936364669365 0.65087589393847 0.23546723955009 144.242 > 95 97 Nd 0.34063635330635 0.40087589393847 0.23546723955009 144.242 > 97 98 Nd 0.34063635330635 0.90087589393847 0.23546723955009 144.242 > 97 99 Nd 0.65936364669365 0.40087589393847 0.26453276044990 144.242 > 99 100 Nd 0.65936364669365 0.90087589393847 0.26453276044990 144.242 > 99 101 Nd 0.15936364669365 0.34912410606153 0.73546723955009 144.242 > 101 102 Nd 0.15936364669365 0.84912410606153 0.73546723955009 144.242 > 101 103 Nd 0.84063635330635 0.34912410606153 0.76453276044991 144.242 > 103 104 Nd 0.84063635330635 0.84912410606153 0.76453276044991 144.242 > 103 105 Au 0.72812175319761 0.20960537590994 0.51077484042046 196.967 > 105 106 Au 0.72812175319761 0.70960537590994 0.51077484042046 196.967 > 105 107 Au 0.27187824680239 0.20960537590994 0.98922515957954 196.967 > 107 108 Au 0.27187824680239 0.70960537590994 0.98922515957954 196.967 > 107 109 Au 0.77187824680239 0.04039462409006 0.01077484042046 196.967 > 109 110 Au 0.77187824680239 0.54039462409006 0.01077484042046 196.967 > 109 111 Au 0.22812175319761 0.04039462409006 0.48922515957954 196.967 > 111 112 Au 0.22812175319761 0.54039462409006 0.48922515957954 196.967 > 111 113 Au 0.27187824680239 0.29039462409006 0.48922515957954 196.967 > 113 114 Au 0.27187824680239 0.79039462409006 0.48922515957954 196.967 > 113 115 Au 0.72812175319761 0.29039462409006 0.01077484042046 196.967 > 115 116 Au 0.72812175319761 0.79039462409006 0.01077484042046 196.967 > 115 117 Au 0.22812175319761 0.45960537590994 0.98922515957954 196.967 > 117 118 Au 0.22812175319761 0.95960537590994 0.98922515957954 196.967 > 117 119 Au 0.77187824680239 0.45960537590994 0.51077484042046 196.967 > 119 120 Au 0.77187824680239 0.95960537590994 0.51077484042046 196.967 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7083593 0.0000000 0.0000000 0.0000000 4.7594559 0.0000000 0.0000000 0.0000000 5.6186597 -------------------------- Born effective charges -------------------------- 1 O -2.7832748 -0.3385399 -0.0324024 -0.2275162 -1.6901473 -0.0381153 -0.2524999 -0.1308728 -1.8641386 2 O -2.7832748 0.3385399 -0.0324024 0.2275162 -1.6901473 0.0381153 -0.2524999 0.1308728 -1.8641386 3 O -2.7832748 -0.3385399 0.0324024 -0.2275162 -1.6901473 0.0381153 0.2524999 0.1308728 -1.8641386 4 O -2.7832748 0.3385399 0.0324024 0.2275162 -1.6901473 -0.0381153 0.2524999 -0.1308728 -1.8641386 5 O -2.7832748 -0.3385399 -0.0324024 -0.2275162 -1.6901473 -0.0381153 -0.2524999 -0.1308728 -1.8641386 6 O -2.7832748 0.3385399 -0.0324024 0.2275162 -1.6901473 0.0381153 -0.2524999 0.1308728 -1.8641386 7 O -2.7832748 -0.3385399 0.0324024 -0.2275162 -1.6901473 0.0381153 0.2524999 0.1308728 -1.8641386 8 O -2.7832748 0.3385399 0.0324024 0.2275162 -1.6901473 -0.0381153 0.2524999 -0.1308728 -1.8641386 9 O -2.0114210 0.0593221 0.2143899 -0.1063977 -1.8017105 -0.2470999 0.0319010 -0.4799388 -2.7125894 10 O -2.0114210 -0.0593221 0.2143899 0.1063977 -1.8017105 0.2470999 0.0319010 0.4799388 -2.7125894 11 O -2.0114210 0.0593221 -0.2143899 -0.1063977 -1.8017105 0.2470999 -0.0319010 0.4799388 -2.7125894 12 O -2.0114210 -0.0593221 -0.2143899 0.1063977 -1.8017105 -0.2470999 -0.0319010 -0.4799388 -2.7125894 13 O -2.0114210 0.0593221 0.2143899 -0.1063977 -1.8017105 -0.2470999 0.0319010 -0.4799388 -2.7125894 14 O -2.0114210 -0.0593221 0.2143899 0.1063977 -1.8017105 0.2470999 0.0319010 0.4799388 -2.7125894 15 O -1.6840789 -0.1040621 -0.1075161 -0.0975229 -1.7401131 -0.0520786 -0.0182582 -0.2349371 -2.6770537 16 O -2.0114210 0.0593221 -0.2143899 -0.1063977 -1.8017105 0.2470999 -0.0319010 0.4799388 -2.7125894 17 O -2.4418917 0.3095921 0.2271215 0.0373076 -1.9206492 0.0343567 0.1639695 0.0120713 -1.8340698 18 O -2.4418917 -0.3095921 0.2271215 -0.0373076 -1.9206492 -0.0343567 0.1639695 -0.0120713 -1.8340698 19 O -2.4418917 0.3095921 -0.2271215 0.0373076 -1.9206492 -0.0343567 -0.1639695 -0.0120713 -1.8340698 20 O -2.4418917 -0.3095921 -0.2271215 -0.0373076 -1.9206492 0.0343567 -0.1639695 0.0120713 -1.8340698 21 O -2.4418917 0.3095921 0.2271215 0.0373076 -1.9206492 0.0343567 0.1639695 0.0120713 -1.8340698 22 O -2.4418917 -0.3095921 0.2271215 -0.0373076 -1.9206492 -0.0343567 0.1639695 -0.0120713 -1.8340698 23 O -2.4418917 0.3095921 -0.2271215 0.0373076 -1.9206492 -0.0343567 -0.1639695 -0.0120713 -1.8340698 24 O -2.4418917 -0.3095921 -0.2271215 -0.0373076 -1.9206492 0.0343567 -0.1639695 0.0120713 -1.8340698 25 O -2.9360501 0.0000000 -0.1237780 0.0000000 -2.4567072 0.0000000 0.1922774 0.0000000 -2.9126624 26 O -2.9360501 0.0000000 0.1237780 0.0000000 -2.4567072 0.0000000 -0.1922774 0.0000000 -2.9126624 27 O -2.9360501 0.0000000 -0.1237780 0.0000000 -2.4567072 0.0000000 0.1922774 0.0000000 -2.9126624 28 O -2.9360501 0.0000000 0.1237780 0.0000000 -2.4567072 0.0000000 -0.1922774 0.0000000 -2.9126624 29 O -1.6840789 0.1040621 0.1075161 0.0975229 -1.7401131 -0.0520786 0.0182582 -0.2349371 -2.6770537 30 O -1.6840789 -0.1040621 0.1075161 -0.0975229 -1.7401131 0.0520786 0.0182582 0.2349371 -2.6770537 31 O -1.6840789 0.1040621 -0.1075161 0.0975229 -1.7401131 0.0520786 -0.0182582 0.2349371 -2.6770537 32 O -1.6840789 -0.1040621 -0.1075161 -0.0975229 -1.7401131 -0.0520786 -0.0182582 -0.2349371 -2.6770537 33 O -1.6840789 0.1040621 0.1075161 0.0975229 -1.7401131 -0.0520786 0.0182582 -0.2349371 -2.6770537 34 O -1.6840789 -0.1040621 0.1075161 -0.0975229 -1.7401131 0.0520786 0.0182582 0.2349371 -2.6770537 35 O -1.6840789 0.1040621 -0.1075161 0.0975229 -1.7401131 0.0520786 -0.0182582 0.2349371 -2.6770537 36 O -2.0114210 -0.0593221 -0.2143899 0.1063977 -1.8017105 -0.2470999 -0.0319010 -0.4799388 -2.7125894 37 Nd 4.9435399 0.2310208 0.0029552 -0.1969482 4.1404687 0.6133550 -0.0906854 0.5223349 3.2707237 38 Nd 4.9435399 -0.2310208 0.0029552 0.1969482 4.1404687 -0.6133550 -0.0906854 -0.5223349 3.2707237 39 Nd 4.9435399 0.2310208 -0.0029552 -0.1969482 4.1404687 -0.6133550 0.0906854 -0.5223349 3.2707237 40 Nd 4.9435399 -0.2310208 -0.0029552 0.1969482 4.1404687 0.6133550 0.0906854 0.5223349 3.2707237 41 Nd 4.9435399 0.2310208 0.0029552 -0.1969482 4.1404687 0.6133550 -0.0906854 0.5223349 3.2707237 42 Nd 4.9435399 -0.2310208 0.0029552 0.1969482 4.1404687 -0.6133550 -0.0906854 -0.5223349 3.2707237 43 Nd 4.9435399 0.2310208 -0.0029552 -0.1969482 4.1404687 -0.6133550 0.0906854 -0.5223349 3.2707237 44 Nd 4.9435399 -0.2310208 -0.0029552 0.1969482 4.1404687 0.6133550 0.0906854 0.5223349 3.2707237 45 Nd 3.3489207 0.3740804 -0.0796299 0.4575351 4.0806107 -0.2378978 -0.1240044 0.2777000 5.0122525 46 Nd 3.3489207 -0.3740804 -0.0796299 -0.4575351 4.0806107 0.2378978 -0.1240044 -0.2777000 5.0122525 47 Nd 3.3489207 0.3740804 0.0796299 0.4575351 4.0806107 0.2378978 0.1240044 -0.2777000 5.0122525 48 Nd 3.3489207 -0.3740804 0.0796299 -0.4575351 4.0806107 -0.2378978 0.1240044 0.2777000 5.0122525 49 Nd 3.3489207 0.3740804 -0.0796299 0.4575351 4.0806107 -0.2378978 -0.1240044 0.2777000 5.0122525 50 Nd 3.3489207 -0.3740804 -0.0796299 -0.4575351 4.0806107 0.2378978 -0.1240044 -0.2777000 5.0122525 51 Nd 3.3489207 0.3740804 0.0796299 0.4575351 4.0806107 0.2378978 0.1240044 -0.2777000 5.0122525 52 Nd 3.3489207 -0.3740804 0.0796299 -0.4575351 4.0806107 -0.2378978 0.1240044 0.2777000 5.0122525 53 Au 2.0962309 0.1243054 0.0010672 0.1607561 0.1598942 -0.2429967 -0.0176650 -0.3021762 2.2612067 54 Au 2.0962309 -0.1243054 0.0010672 -0.1607561 0.1598942 0.2429967 -0.0176650 0.3021762 2.2612067 55 Au 2.0962309 0.1243054 -0.0010672 0.1607561 0.1598942 0.2429967 0.0176650 0.3021762 2.2612067 56 Au 2.0962309 -0.1243054 -0.0010672 -0.1607561 0.1598942 -0.2429967 0.0176650 -0.3021762 2.2612067 57 Au 2.0962309 0.1243054 0.0010672 0.1607561 0.1598942 -0.2429967 -0.0176650 -0.3021762 2.2612067 58 Au 2.0962309 -0.1243054 0.0010672 -0.1607561 0.1598942 0.2429967 -0.0176650 0.3021762 2.2612067 59 Au 2.0962309 0.1243054 -0.0010672 0.1607561 0.1598942 0.2429967 0.0176650 0.3021762 2.2612067 60 Au 2.0962309 -0.1243054 -0.0010672 -0.1607561 0.1598942 -0.2429967 0.0176650 -0.3021762 2.2612067 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 ... [ 4 8 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 301, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 1.754 ( 0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 0.000) 0.000 2.050 ( 0.000 0.000 0.000) 0.000 2.074 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.817 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.359 ( 0.000 0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 3.894 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.040 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.204 ( 0.000 0.000 0.000) 0.000 4.219 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.969 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.103 ( 0.000 0.000 0.000) 0.000 5.243 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 0.000) 0.000 5.305 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 5.669 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 6.309 ( 0.000 0.000 0.000) 0.000 7.354 ( 0.000 0.000 0.000) 0.000 7.427 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 7.579 ( 0.000 0.000 0.000) 0.000 7.752 ( 0.000 0.000 0.000) 0.000 8.119 ( 0.000 0.000 0.000) 0.000 8.129 ( 0.000 0.000 0.000) 0.000 8.184 ( 0.000 0.000 0.000) 0.000 8.404 ( 0.000 0.000 0.000) 0.000 8.574 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.653 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 8.720 ( 0.000 0.000 0.000) 0.000 8.723 ( 0.000 0.000 0.000) 0.000 8.846 ( 0.000 0.000 0.000) 0.000 8.909 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 9.075 ( 0.000 0.000 0.000) 0.000 9.103 ( 0.000 0.000 0.000) 0.000 9.257 ( 0.000 0.000 0.000) 0.000 9.282 ( 0.000 0.000 0.000) 0.000 9.289 ( 0.000 0.000 0.000) 0.000 9.307 ( 0.000 0.000 0.000) 0.000 9.401 ( 0.000 0.000 0.000) 0.000 9.542 ( 0.000 0.000 0.000) 0.000 9.682 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 0.000) 0.000 9.822 ( 0.000 0.000 0.000) 0.000 9.839 ( 0.000 0.000 0.000) 0.000 9.845 ( 0.000 0.000 0.000) 0.000 9.938 ( 0.000 0.000 0.000) 0.000 9.994 ( 0.000 0.000 0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 10.030 ( 0.000 0.000 0.000) 0.000 10.108 ( 0.000 0.000 0.000) 0.000 10.162 ( 0.000 0.000 0.000) 0.000 10.205 ( 0.000 0.000 0.000) 0.000 10.245 ( 0.000 0.000 0.000) 0.000 10.367 ( 0.000 0.000 0.000) 0.000 10.515 ( 0.000 0.000 0.000) 0.000 10.596 ( 0.000 0.000 0.000) 0.000 10.607 ( 0.000 0.000 0.000) 0.000 10.838 ( 0.000 0.000 0.000) 0.000 10.874 ( 0.000 0.000 0.000) 0.000 11.044 ( 0.000 0.000 0.000) 0.000 11.366 ( 0.000 0.000 0.000) 0.000 11.492 ( 0.000 0.000 0.000) 0.000 11.513 ( 0.000 0.000 0.000) 0.000 11.529 ( 0.000 0.000 0.000) 0.000 11.534 ( 0.000 0.000 0.000) 0.000 11.557 ( 0.000 0.000 0.000) 0.000 11.616 ( 0.000 0.000 0.000) 0.000 11.634 ( 0.000 0.000 0.000) 0.000 11.948 ( 0.000 0.000 0.000) 0.000 11.967 ( 0.000 0.000 0.000) 0.000 12.036 ( 0.000 0.000 0.000) 0.000 12.044 ( 0.000 0.000 0.000) 0.000 12.200 ( 0.000 0.000 0.000) 0.000 12.472 ( 0.000 0.000 0.000) 0.000 12.526 ( 0.000 0.000 0.000) 0.000 12.764 ( 0.000 0.000 0.000) 0.000 13.027 ( 0.000 0.000 0.000) 0.000 13.115 ( 0.000 0.000 0.000) 0.000 13.263 ( 0.000 0.000 0.000) 0.000 13.611 ( 0.000 0.000 0.000) 0.000 13.819 ( 0.000 0.000 0.000) 0.000 13.836 ( 0.000 0.000 0.000) 0.000 13.887 ( 0.000 0.000 0.000) 0.000 13.944 ( 0.000 0.000 0.000) 0.000 14.233 ( 0.000 0.000 0.000) 0.000 14.288 ( 0.000 0.000 0.000) 0.000 14.436 ( 0.000 0.000 0.000) 0.000 14.750 ( 0.000 0.000 0.000) 0.000 14.888 ( 0.000 0.000 0.000) 0.000 14.899 ( 0.000 0.000 0.000) 0.000 15.305 ( 0.000 0.000 0.000) 0.000 15.350 ( 0.000 0.000 0.000) 0.000 15.376 ( 0.000 0.000 0.000) 0.000 15.407 ( 0.000 0.000 0.000) 0.000 15.411 ( 0.000 0.000 0.000) 0.000 15.456 ( 0.000 0.000 0.000) 0.000 15.572 ( 0.000 0.000 0.000) 0.000 15.853 ( 0.000 0.000 0.000) 0.000 15.875 ( 0.000 0.000 0.000) 0.000 15.881 ( 0.000 0.000 0.000) 0.000 15.973 ( 0.000 0.000 0.000) 0.000 16.140 ( 0.000 0.000 0.000) 0.000 16.144 ( 0.000 0.000 0.000) 0.000 16.363 ( 0.000 0.000 0.000) 0.000 16.552 ( 0.000 0.000 0.000) 0.000 16.764 ( 0.000 0.000 0.000) 0.000 17.390 ( 0.000 0.000 0.000) 0.000 17.553 ( 0.000 0.000 0.000) 0.000 17.556 ( 0.000 0.000 0.000) 0.000 17.869 ( 0.000 0.000 0.000) 0.000 17.990 ( 0.000 0.000 0.000) 0.000 17.994 ( 0.000 0.000 0.000) 0.000 18.069 ( 0.000 0.000 0.000) 0.000 18.210 ( 0.000 0.000 0.000) 0.000 18.234 ( 0.000 0.000 0.000) 0.000 18.547 ( 0.000 0.000 0.000) 0.000 18.562 ( 0.000 0.000 0.000) 0.000 18.735 ( 0.000 0.000 0.000) 0.000 18.736 ( 0.000 0.000 0.000) 0.000 19.021 ( 0.000 0.000 0.000) 0.000 19.409 ( 0.000 0.000 0.000) 0.000 19.417 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 23.123 0.000 0.000) 23.123 0.502 ( 24.446 0.000 0.000) 24.446 1.084 ( 48.825 0.000 0.000) 48.825 1.451 ( -19.724 0.000 0.000) 19.724 1.574 ( -24.159 0.000 0.000) 24.159 1.820 ( 14.956 0.000 0.000) 14.956 2.082 ( 2.917 0.000 0.000) 2.917 2.129 ( 4.805 0.000 0.000) 4.805 2.135 ( 4.130 0.000 0.000) 4.130 2.267 ( 0.508 0.000 0.000) 0.508 2.364 ( -0.263 0.000 0.000) 0.263 2.386 ( -6.636 0.000 0.000) 6.636 2.450 ( -7.490 0.000 0.000) 7.490 2.542 ( -3.237 0.000 0.000) 3.237 2.557 ( 7.011 0.000 0.000) 7.011 2.589 ( 9.546 0.000 0.000) 9.546 2.656 ( 3.364 0.000 0.000) 3.364 2.690 ( -10.194 0.000 0.000) 10.194 2.749 ( -15.587 0.000 0.000) 15.587 2.903 ( -10.478 0.000 0.000) 10.478 2.951 ( 10.290 0.000 0.000) 10.290 2.966 ( -2.364 0.000 0.000) 2.364 3.044 ( 5.831 0.000 0.000) 5.831 3.123 ( -10.451 0.000 0.000) 10.451 3.150 ( 0.647 0.000 0.000) 0.647 3.185 ( 9.292 0.000 0.000) 9.292 3.245 ( -6.562 0.000 0.000) 6.562 3.249 ( 9.070 0.000 0.000) 9.070 3.302 ( 6.862 0.000 0.000) 6.862 3.309 ( 2.634 0.000 0.000) 2.634 3.351 ( -0.514 0.000 0.000) 0.514 3.385 ( -2.676 0.000 0.000) 2.676 3.390 ( 8.471 0.000 0.000) 8.471 3.391 ( 2.610 0.000 0.000) 2.610 3.480 ( -7.894 0.000 0.000) 7.894 3.565 ( 0.726 0.000 0.000) 0.726 3.599 ( -3.596 0.000 0.000) 3.596 3.728 ( -2.543 0.000 0.000) 2.543 3.745 ( -3.828 0.000 0.000) 3.828 3.769 ( -5.998 0.000 0.000) 5.998 3.855 ( 0.324 0.000 0.000) 0.324 3.892 ( 1.250 0.000 0.000) 1.250 3.916 ( -2.073 0.000 0.000) 2.073 3.949 ( 9.005 0.000 0.000) 9.005 3.950 ( -7.720 0.000 0.000) 7.720 3.987 ( -1.477 0.000 0.000) 1.477 4.117 ( -6.084 0.000 0.000) 6.084 4.121 ( 7.610 0.000 0.000) 7.610 4.209 ( -2.621 0.000 0.000) 2.621 4.221 ( -0.575 0.000 0.000) 0.575 4.259 ( -4.306 0.000 0.000) 4.306 4.260 ( 6.282 0.000 0.000) 6.282 4.336 ( 4.897 0.000 0.000) 4.897 4.383 ( -2.114 0.000 0.000) 2.114 4.389 ( -4.689 0.000 0.000) 4.689 4.563 ( 6.795 0.000 0.000) 6.795 4.754 ( -7.837 0.000 0.000) 7.837 4.883 ( -7.966 0.000 0.000) 7.966 4.945 ( 8.538 0.000 0.000) 8.538 4.956 ( -1.788 0.000 0.000) 1.788 4.979 ( -2.521 0.000 0.000) 2.521 5.037 ( 3.406 0.000 0.000) 3.406 5.041 ( -3.375 0.000 0.000) 3.375 5.301 ( 9.218 0.000 0.000) 9.218 5.306 ( -3.552 0.000 0.000) 3.552 5.328 ( 5.576 0.000 0.000) 5.576 5.527 ( -1.815 0.000 0.000) 1.815 5.660 ( -4.226 0.000 0.000) 4.226 5.721 ( 3.964 0.000 0.000) 3.964 5.849 ( -1.452 0.000 0.000) 1.452 5.873 ( 7.773 0.000 0.000) 7.773 6.244 ( -5.960 0.000 0.000) 5.960 7.404 ( 4.620 0.000 0.000) 4.620 7.432 ( 0.404 0.000 0.000) 0.404 7.477 ( -2.182 0.000 0.000) 2.182 7.680 ( -6.022 0.000 0.000) 6.022 7.707 ( 7.691 0.000 0.000) 7.691 8.058 ( -6.351 0.000 0.000) 6.351 8.141 ( 1.596 0.000 0.000) 1.596 8.182 ( -0.267 0.000 0.000) 0.267 8.395 ( -0.349 0.000 0.000) 0.349 8.514 ( -6.094 0.000 0.000) 6.094 8.600 ( 2.186 0.000 0.000) 2.186 8.674 ( -0.521 0.000 0.000) 0.521 8.688 ( 2.316 0.000 0.000) 2.316 8.746 ( 2.243 0.000 0.000) 2.243 8.786 ( 2.199 0.000 0.000) 2.199 8.858 ( -4.055 0.000 0.000) 4.055 8.918 ( 3.376 0.000 0.000) 3.376 9.025 ( 4.226 0.000 0.000) 4.226 9.060 ( -3.883 0.000 0.000) 3.883 9.114 ( 3.397 0.000 0.000) 3.397 9.231 ( -2.864 0.000 0.000) 2.864 9.243 ( -1.365 0.000 0.000) 1.365 9.319 ( 0.376 0.000 0.000) 0.376 9.358 ( 4.159 0.000 0.000) 4.159 9.428 ( 0.032 0.000 0.000) 0.032 9.513 ( -2.556 0.000 0.000) 2.556 9.628 ( -3.568 0.000 0.000) 3.568 9.641 ( -3.743 0.000 0.000) 3.743 9.802 ( -1.164 0.000 0.000) 1.164 9.835 ( -0.676 0.000 0.000) 0.676 9.884 ( 2.143 0.000 0.000) 2.143 9.931 ( -0.469 0.000 0.000) 0.469 10.045 ( 2.794 0.000 0.000) 2.794 10.048 ( 2.117 0.000 0.000) 2.117 10.114 ( -2.010 0.000 0.000) 2.010 10.144 ( 1.863 0.000 0.000) 1.863 10.156 ( -0.821 0.000 0.000) 0.821 10.192 ( -9.589 0.000 0.000) 9.589 10.324 ( 10.079 0.000 0.000) 10.079 10.430 ( 4.605 0.000 0.000) 4.605 10.493 ( -0.783 0.000 0.000) 0.783 10.531 ( -4.829 0.000 0.000) 4.829 10.658 ( -9.235 0.000 0.000) 9.235 10.729 ( 2.393 0.000 0.000) 2.393 11.016 ( 6.289 0.000 0.000) 6.289 11.062 ( 3.041 0.000 0.000) 3.041 11.259 ( -8.800 0.000 0.000) 8.800 11.320 ( -4.625 0.000 0.000) 4.625 11.386 ( -4.654 0.000 0.000) 4.654 11.517 ( -8.178 0.000 0.000) 8.178 11.664 ( 4.494 0.000 0.000) 4.494 11.708 ( 8.198 0.000 0.000) 8.198 11.838 ( 11.293 0.000 0.000) 11.293 11.919 ( -4.585 0.000 0.000) 4.585 11.994 ( -3.826 0.000 0.000) 3.826 12.007 ( 4.664 0.000 0.000) 4.664 12.038 ( -0.591 0.000 0.000) 0.591 12.137 ( 1.899 0.000 0.000) 1.899 12.465 ( -0.447 0.000 0.000) 0.447 12.470 ( 9.204 0.000 0.000) 9.204 12.507 ( -1.919 0.000 0.000) 1.919 12.924 ( 14.203 0.000 0.000) 14.203 13.013 ( -9.751 0.000 0.000) 9.751 13.118 ( 7.886 0.000 0.000) 7.886 13.269 ( 0.030 0.000 0.000) 0.030 13.521 ( -7.793 0.000 0.000) 7.793 13.765 ( 0.843 0.000 0.000) 0.843 13.883 ( 0.719 0.000 0.000) 0.719 14.026 ( -6.512 0.000 0.000) 6.512 14.126 ( 10.899 0.000 0.000) 10.899 14.210 ( -4.690 0.000 0.000) 4.690 14.420 ( -2.066 0.000 0.000) 2.066 14.740 ( -0.221 0.000 0.000) 0.221 14.746 ( -0.327 0.000 0.000) 0.327 14.766 ( -8.045 0.000 0.000) 8.045 14.834 ( -4.680 0.000 0.000) 4.680 15.302 ( -0.107 0.000 0.000) 0.107 15.336 ( -1.190 0.000 0.000) 1.190 15.368 ( -0.982 0.000 0.000) 0.982 15.397 ( -1.141 0.000 0.000) 1.141 15.486 ( 2.616 0.000 0.000) 2.616 15.667 ( -5.848 0.000 0.000) 5.848 15.722 ( 9.828 0.000 0.000) 9.828 15.871 ( 1.401 0.000 0.000) 1.401 15.890 ( 0.552 0.000 0.000) 0.552 15.997 ( 7.614 0.000 0.000) 7.614 16.062 ( -5.003 0.000 0.000) 5.003 16.230 ( 5.585 0.000 0.000) 5.585 16.295 ( -5.481 0.000 0.000) 5.481 16.605 ( -11.167 0.000 0.000) 11.167 16.610 ( 4.467 0.000 0.000) 4.467 16.786 ( -2.662 0.000 0.000) 2.662 17.582 ( 13.812 0.000 0.000) 13.812 17.600 ( 4.158 0.000 0.000) 4.158 17.816 ( -4.326 0.000 0.000) 4.326 18.021 ( -4.856 0.000 0.000) 4.856 18.024 ( 2.353 0.000 0.000) 2.353 18.031 ( 3.437 0.000 0.000) 3.437 18.152 ( -3.072 0.000 0.000) 3.072 18.178 ( -2.710 0.000 0.000) 2.710 18.293 ( 5.722 0.000 0.000) 5.722 18.585 ( 3.137 0.000 0.000) 3.137 18.655 ( -7.152 0.000 0.000) 7.152 18.715 ( -1.960 0.000 0.000) 1.960 18.978 ( 0.569 0.000 0.000) 0.569 19.013 ( -0.713 0.000 0.000) 0.713 19.402 ( -0.472 0.000 0.000) 0.472 19.408 ( -0.677 0.000 0.000) 0.677 ======================= Grid point 2 (3/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -22.793 0.000 0.000) 22.793 0.972 ( 22.793 0.000 0.000) 22.793 1.033 ( -25.885 0.000 0.000) 25.885 1.033 ( 25.885 0.000 0.000) 25.885 2.056 ( -33.813 0.000 0.000) 33.813 2.056 ( 33.813 0.000 0.000) 33.813 2.163 ( -10.706 0.000 0.000) 10.706 2.163 ( 10.706 0.000 0.000) 10.706 2.198 ( -1.391 0.000 0.000) 1.391 2.198 ( 1.391 0.000 0.000) 1.391 2.255 ( -7.431 0.000 0.000) 7.431 2.255 ( 7.431 0.000 0.000) 7.431 2.320 ( -1.369 0.000 0.000) 1.369 2.320 ( 1.369 0.000 0.000) 1.369 2.484 ( -5.594 0.000 0.000) 5.594 2.484 ( 5.594 0.000 0.000) 5.594 2.712 ( -6.540 0.000 0.000) 6.540 2.712 ( 6.540 0.000 0.000) 6.540 2.839 ( -9.275 0.000 0.000) 9.275 2.839 ( 9.275 0.000 0.000) 9.275 2.850 ( -13.219 0.000 0.000) 13.219 2.850 ( 13.219 0.000 0.000) 13.219 3.131 ( -2.431 0.000 0.000) 2.431 3.131 ( 2.431 0.000 0.000) 2.431 3.169 ( -8.489 0.000 0.000) 8.489 3.169 ( 8.489 0.000 0.000) 8.489 3.324 ( -2.361 0.000 0.000) 2.361 3.324 ( 2.361 0.000 0.000) 2.361 3.358 ( -1.947 0.000 0.000) 1.947 3.358 ( 1.947 0.000 0.000) 1.947 3.375 ( -2.678 0.000 0.000) 2.678 3.375 ( 2.678 0.000 0.000) 2.678 3.451 ( -4.589 0.000 0.000) 4.589 3.451 ( 4.589 0.000 0.000) 4.589 3.539 ( -2.990 0.000 0.000) 2.990 3.539 ( 2.990 0.000 0.000) 2.990 3.604 ( -4.075 0.000 0.000) 4.075 3.604 ( 4.075 0.000 0.000) 4.075 3.648 ( -5.510 0.000 0.000) 5.510 3.648 ( 5.510 0.000 0.000) 5.510 3.867 ( -1.269 0.000 0.000) 1.269 3.867 ( 1.269 0.000 0.000) 1.269 3.889 ( -0.511 0.000 0.000) 0.511 3.889 ( 0.511 0.000 0.000) 0.511 3.993 ( -4.077 0.000 0.000) 4.077 3.993 ( 4.077 0.000 0.000) 4.077 4.131 ( -7.701 0.000 0.000) 7.701 4.131 ( 7.701 0.000 0.000) 7.701 4.212 ( -0.299 0.000 0.000) 0.299 4.212 ( 0.299 0.000 0.000) 0.299 4.263 ( -6.481 0.000 0.000) 6.481 4.263 ( 6.481 0.000 0.000) 6.481 4.376 ( -0.765 0.000 0.000) 0.765 4.376 ( 0.765 0.000 0.000) 0.765 4.499 ( -13.736 0.000 0.000) 13.736 4.499 ( 13.736 0.000 0.000) 13.736 4.702 ( -7.592 0.000 0.000) 7.592 4.702 ( 7.592 0.000 0.000) 7.592 4.981 ( -2.010 0.000 0.000) 2.010 4.981 ( 2.010 0.000 0.000) 2.010 5.001 ( -3.150 0.000 0.000) 3.150 5.001 ( 3.150 0.000 0.000) 3.150 5.158 ( -8.858 0.000 0.000) 8.858 5.158 ( 8.858 0.000 0.000) 8.858 5.456 ( -5.256 0.000 0.000) 5.256 5.456 ( 5.256 0.000 0.000) 5.256 5.513 ( -9.413 0.000 0.000) 9.413 5.513 ( 9.413 0.000 0.000) 9.413 5.801 ( -3.186 0.000 0.000) 3.186 5.801 ( 3.186 0.000 0.000) 3.186 6.073 ( -9.762 0.000 0.000) 9.762 6.073 ( 9.762 0.000 0.000) 9.762 7.446 ( -0.976 0.000 0.000) 0.976 7.446 ( 0.976 0.000 0.000) 0.976 7.534 ( -7.173 0.000 0.000) 7.173 7.534 ( 7.173 0.000 0.000) 7.173 7.888 ( -9.021 0.000 0.000) 9.021 7.888 ( 9.021 0.000 0.000) 9.021 8.170 ( -0.969 0.000 0.000) 0.969 8.170 ( 0.969 0.000 0.000) 0.969 8.416 ( -2.787 0.000 0.000) 2.787 8.416 ( 2.787 0.000 0.000) 2.787 8.650 ( -2.057 0.000 0.000) 2.057 8.650 ( 2.057 0.000 0.000) 2.057 8.757 ( -3.996 0.000 0.000) 3.996 8.757 ( 3.996 0.000 0.000) 3.996 8.795 ( -1.901 0.000 0.000) 1.901 8.795 ( 1.901 0.000 0.000) 1.901 8.969 ( -3.599 0.000 0.000) 3.599 8.969 ( 3.599 0.000 0.000) 3.599 9.166 ( -4.984 0.000 0.000) 4.984 9.166 ( 4.984 0.000 0.000) 4.984 9.193 ( -3.425 0.000 0.000) 3.425 9.193 ( 3.425 0.000 0.000) 3.425 9.363 ( -4.551 0.000 0.000) 4.551 9.363 ( 4.551 0.000 0.000) 4.551 9.447 ( -3.723 0.000 0.000) 3.723 9.447 ( 3.723 0.000 0.000) 3.723 9.585 ( -0.279 0.000 0.000) 0.279 9.585 ( 0.279 0.000 0.000) 0.279 9.805 ( -1.541 0.000 0.000) 1.541 9.805 ( 1.541 0.000 0.000) 1.541 9.916 ( -1.054 0.000 0.000) 1.054 9.916 ( 1.054 0.000 0.000) 1.054 10.088 ( -0.642 0.000 0.000) 0.642 10.088 ( 0.642 0.000 0.000) 0.642 10.102 ( -0.894 0.000 0.000) 0.894 10.102 ( 0.894 0.000 0.000) 0.894 10.133 ( -1.443 0.000 0.000) 1.443 10.133 ( 1.443 0.000 0.000) 1.443 10.463 ( -2.612 0.000 0.000) 2.612 10.463 ( 2.612 0.000 0.000) 2.612 10.505 ( -3.930 0.000 0.000) 3.930 10.505 ( 3.930 0.000 0.000) 3.930 10.611 ( -10.870 0.000 0.000) 10.870 10.611 ( 10.870 0.000 0.000) 10.870 11.130 ( -4.896 0.000 0.000) 4.896 11.130 ( 4.896 0.000 0.000) 4.896 11.192 ( -7.339 0.000 0.000) 7.339 11.192 ( 7.339 0.000 0.000) 7.339 11.376 ( -3.816 0.000 0.000) 3.816 11.376 ( 3.816 0.000 0.000) 3.816 11.791 ( -6.879 0.000 0.000) 6.879 11.791 ( 6.879 0.000 0.000) 6.879 11.876 ( -7.226 0.000 0.000) 7.226 11.876 ( 7.226 0.000 0.000) 7.226 11.995 ( -4.179 0.000 0.000) 4.179 11.995 ( 4.179 0.000 0.000) 4.179 12.105 ( -3.888 0.000 0.000) 3.888 12.105 ( 3.888 0.000 0.000) 3.888 12.469 ( -1.147 0.000 0.000) 1.147 12.469 ( 1.147 0.000 0.000) 1.147 12.742 ( -14.545 0.000 0.000) 14.545 12.742 ( 14.545 0.000 0.000) 14.545 13.205 ( -8.309 0.000 0.000) 8.309 13.205 ( 8.309 0.000 0.000) 8.309 13.320 ( -10.467 0.000 0.000) 10.467 13.320 ( 10.467 0.000 0.000) 10.467 13.867 ( -7.506 0.000 0.000) 7.506 13.867 ( 7.506 0.000 0.000) 7.506 13.997 ( -11.135 0.000 0.000) 11.135 13.997 ( 11.135 0.000 0.000) 11.135 14.324 ( -7.240 0.000 0.000) 7.240 14.324 ( 7.240 0.000 0.000) 7.240 14.730 ( -3.760 0.000 0.000) 3.760 14.730 ( 3.760 0.000 0.000) 3.760 14.739 ( -0.230 0.000 0.000) 0.230 14.739 ( 0.230 0.000 0.000) 0.230 15.310 ( -0.968 0.000 0.000) 0.968 15.310 ( 0.968 0.000 0.000) 0.968 15.373 ( -0.982 0.000 0.000) 0.982 15.373 ( 0.982 0.000 0.000) 0.982 15.559 ( -4.321 0.000 0.000) 4.321 15.559 ( 4.321 0.000 0.000) 4.321 15.887 ( -1.672 0.000 0.000) 1.672 15.887 ( 1.672 0.000 0.000) 1.672 15.925 ( -7.164 0.000 0.000) 7.164 15.925 ( 7.164 0.000 0.000) 7.164 16.157 ( -7.324 0.000 0.000) 7.324 16.157 ( 7.324 0.000 0.000) 7.324 16.385 ( -9.117 0.000 0.000) 9.117 16.385 ( 9.117 0.000 0.000) 9.117 16.709 ( -4.468 0.000 0.000) 4.468 16.709 ( 4.468 0.000 0.000) 4.468 17.708 ( -5.563 0.000 0.000) 5.563 17.708 ( 5.563 0.000 0.000) 5.563 17.854 ( -10.889 0.000 0.000) 10.889 17.854 ( 10.889 0.000 0.000) 10.889 18.083 ( -3.189 0.000 0.000) 3.189 18.083 ( 3.189 0.000 0.000) 3.189 18.109 ( -3.659 0.000 0.000) 3.659 18.109 ( 3.659 0.000 0.000) 3.659 18.465 ( -9.786 0.000 0.000) 9.786 18.465 ( 9.786 0.000 0.000) 9.786 18.657 ( -3.320 0.000 0.000) 3.320 18.657 ( 3.320 0.000 0.000) 3.320 18.995 ( -0.918 0.000 0.000) 0.918 18.995 ( 0.918 0.000 0.000) 0.918 19.397 ( -0.175 0.000 0.000) 0.175 19.397 ( 0.175 0.000 0.000) 0.175 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 0.000 23.817 0.000) 23.817 0.494 ( 0.000 23.688 0.000) 23.688 0.910 ( 0.000 43.251 0.000) 43.251 1.656 ( 0.000 3.701 0.000) 3.701 1.787 ( 0.000 3.057 0.000) 3.057 2.011 ( 0.000 1.970 0.000) 1.970 2.046 ( 0.000 -1.650 0.000) 1.650 2.073 ( 0.000 1.959 0.000) 1.959 2.078 ( 0.000 -1.269 0.000) 1.269 2.176 ( 0.000 3.584 0.000) 3.584 2.189 ( 0.000 -4.899 0.000) 4.899 2.361 ( 0.000 -1.794 0.000) 1.794 2.439 ( 0.000 -3.310 0.000) 3.310 2.451 ( 0.000 -3.613 0.000) 3.613 2.549 ( 0.000 -2.327 0.000) 2.327 2.638 ( 0.000 -6.310 0.000) 6.310 2.706 ( 0.000 6.296 0.000) 6.296 2.779 ( 0.000 1.934 0.000) 1.934 2.792 ( 0.000 -1.428 0.000) 1.428 2.963 ( 0.000 3.535 0.000) 3.535 2.993 ( 0.000 1.349 0.000) 1.349 2.999 ( 0.000 4.500 0.000) 4.500 3.011 ( 0.000 -3.927 0.000) 3.927 3.048 ( 0.000 -2.180 0.000) 2.180 3.149 ( 0.000 -2.017 0.000) 2.017 3.171 ( 0.000 3.789 0.000) 3.789 3.203 ( 0.000 -6.178 0.000) 6.178 3.206 ( 0.000 -1.943 0.000) 1.943 3.297 ( 0.000 -2.025 0.000) 2.025 3.305 ( 0.000 -4.786 0.000) 4.786 3.311 ( 0.000 1.132 0.000) 1.132 3.393 ( 0.000 -3.463 0.000) 3.463 3.443 ( 0.000 3.754 0.000) 3.754 3.460 ( 0.000 -3.370 0.000) 3.370 3.500 ( 0.000 -5.155 0.000) 5.155 3.608 ( 0.000 1.653 0.000) 1.653 3.639 ( 0.000 -0.125 0.000) 0.125 3.655 ( 0.000 -11.776 0.000) 11.776 3.776 ( 0.000 -4.546 0.000) 4.546 3.801 ( 0.000 2.111 0.000) 2.111 3.837 ( 0.000 -0.414 0.000) 0.414 3.873 ( 0.000 0.028 0.000) 0.028 3.873 ( 0.000 0.734 0.000) 0.734 3.930 ( 0.000 3.928 0.000) 3.928 3.981 ( 0.000 -15.003 0.000) 15.003 4.020 ( 0.000 3.237 0.000) 3.237 4.029 ( 0.000 3.163 0.000) 3.163 4.033 ( 0.000 -5.981 0.000) 5.981 4.111 ( 0.000 -6.924 0.000) 6.924 4.242 ( 0.000 2.147 0.000) 2.147 4.265 ( 0.000 1.518 0.000) 1.518 4.367 ( 0.000 -3.031 0.000) 3.031 4.368 ( 0.000 3.414 0.000) 3.414 4.428 ( 0.000 3.578 0.000) 3.578 4.480 ( 0.000 5.875 0.000) 5.875 4.536 ( 0.000 3.475 0.000) 3.475 4.718 ( 0.000 -7.544 0.000) 7.544 4.809 ( 0.000 0.814 0.000) 0.814 4.845 ( 0.000 2.743 0.000) 2.743 4.992 ( 0.000 2.524 0.000) 2.524 5.012 ( 0.000 1.776 0.000) 1.776 5.055 ( 0.000 -4.112 0.000) 4.112 5.122 ( 0.000 1.294 0.000) 1.294 5.194 ( 0.000 6.963 0.000) 6.963 5.234 ( 0.000 -5.653 0.000) 5.653 5.273 ( 0.000 2.412 0.000) 2.412 5.283 ( 0.000 -0.471 0.000) 0.471 5.494 ( 0.000 -5.074 0.000) 5.074 5.646 ( 0.000 -2.230 0.000) 2.230 5.760 ( 0.000 4.298 0.000) 4.298 5.884 ( 0.000 1.828 0.000) 1.828 6.208 ( 0.000 -9.337 0.000) 9.337 7.497 ( 0.000 12.713 0.000) 12.713 7.546 ( 0.000 11.217 0.000) 11.217 7.652 ( 0.000 6.397 0.000) 6.397 7.652 ( 0.000 11.674 0.000) 11.674 7.809 ( 0.000 5.845 0.000) 5.845 8.140 ( 0.000 1.178 0.000) 1.178 8.204 ( 0.000 1.722 0.000) 1.722 8.229 ( 0.000 -0.736 0.000) 0.736 8.414 ( 0.000 1.185 0.000) 1.185 8.571 ( 0.000 -2.521 0.000) 2.521 8.585 ( 0.000 0.867 0.000) 0.867 8.632 ( 0.000 -2.896 0.000) 2.896 8.706 ( 0.000 -1.323 0.000) 1.323 8.707 ( 0.000 3.205 0.000) 3.205 8.717 ( 0.000 -3.749 0.000) 3.749 8.803 ( 0.000 -4.026 0.000) 4.026 8.862 ( 0.000 -4.196 0.000) 4.196 9.018 ( 0.000 0.627 0.000) 0.627 9.121 ( 0.000 1.583 0.000) 1.583 9.209 ( 0.000 -7.345 0.000) 7.345 9.258 ( 0.000 -2.281 0.000) 2.281 9.306 ( 0.000 1.257 0.000) 1.257 9.327 ( 0.000 6.597 0.000) 6.597 9.382 ( 0.000 0.897 0.000) 0.897 9.431 ( 0.000 -0.028 0.000) 0.028 9.546 ( 0.000 -2.018 0.000) 2.018 9.697 ( 0.000 0.129 0.000) 0.129 9.728 ( 0.000 3.328 0.000) 3.328 9.807 ( 0.000 -1.121 0.000) 1.121 9.904 ( 0.000 6.069 0.000) 6.069 9.946 ( 0.000 1.470 0.000) 1.470 9.947 ( 0.000 -3.926 0.000) 3.926 10.008 ( 0.000 -0.835 0.000) 0.835 10.015 ( 0.000 1.120 0.000) 1.120 10.070 ( 0.000 -4.557 0.000) 4.557 10.184 ( 0.000 1.759 0.000) 1.759 10.249 ( 0.000 1.074 0.000) 1.074 10.261 ( 0.000 5.439 0.000) 5.439 10.329 ( 0.000 -3.216 0.000) 3.216 10.471 ( 0.000 -4.278 0.000) 4.278 10.533 ( 0.000 -5.762 0.000) 5.762 10.582 ( 0.000 -1.871 0.000) 1.871 10.830 ( 0.000 -3.954 0.000) 3.954 10.875 ( 0.000 3.141 0.000) 3.141 11.043 ( 0.000 -0.111 0.000) 0.111 11.286 ( 0.000 -7.102 0.000) 7.102 11.329 ( 0.000 -6.262 0.000) 6.262 11.403 ( 0.000 -5.902 0.000) 5.902 11.471 ( 0.000 -4.048 0.000) 4.048 11.530 ( 0.000 -2.270 0.000) 2.270 11.555 ( 0.000 0.909 0.000) 0.909 11.615 ( 0.000 -2.016 0.000) 2.016 11.687 ( 0.000 4.867 0.000) 4.867 11.945 ( 0.000 0.441 0.000) 0.441 11.994 ( 0.000 1.671 0.000) 1.671 12.029 ( 0.000 -1.405 0.000) 1.405 12.030 ( 0.000 -0.568 0.000) 0.568 12.206 ( 0.000 0.308 0.000) 0.308 12.501 ( 0.000 2.681 0.000) 2.681 12.542 ( 0.000 1.304 0.000) 1.304 12.803 ( 0.000 3.734 0.000) 3.734 13.002 ( 0.000 1.438 0.000) 1.438 13.139 ( 0.000 2.352 0.000) 2.352 13.299 ( 0.000 3.122 0.000) 3.122 13.522 ( 0.000 -6.692 0.000) 6.692 13.724 ( 0.000 0.060 0.000) 0.060 13.855 ( 0.000 1.699 0.000) 1.699 13.882 ( 0.000 -4.967 0.000) 4.967 13.895 ( 0.000 5.341 0.000) 5.341 13.943 ( 0.000 -4.366 0.000) 4.366 14.256 ( 0.000 1.693 0.000) 1.693 14.275 ( 0.000 -1.015 0.000) 1.015 14.428 ( 0.000 -0.806 0.000) 0.806 14.669 ( 0.000 -6.304 0.000) 6.304 14.898 ( 0.000 0.888 0.000) 0.888 14.952 ( 0.000 3.418 0.000) 3.418 15.310 ( 0.000 0.556 0.000) 0.556 15.345 ( 0.000 -0.311 0.000) 0.311 15.367 ( 0.000 0.789 0.000) 0.789 15.433 ( 0.000 2.331 0.000) 2.331 15.473 ( 0.000 1.672 0.000) 1.672 15.487 ( 0.000 5.400 0.000) 5.400 15.594 ( 0.000 1.973 0.000) 1.973 15.883 ( 0.000 1.388 0.000) 1.388 15.924 ( 0.000 6.299 0.000) 6.299 15.957 ( 0.000 -1.445 0.000) 1.445 15.970 ( 0.000 6.911 0.000) 6.911 16.163 ( 0.000 2.038 0.000) 2.038 16.200 ( 0.000 -0.536 0.000) 0.536 16.293 ( 0.000 -6.477 0.000) 6.477 16.559 ( 0.000 0.716 0.000) 0.716 16.681 ( 0.000 -7.448 0.000) 7.448 17.399 ( 0.000 1.001 0.000) 1.001 17.557 ( 0.000 0.482 0.000) 0.482 17.567 ( 0.000 1.017 0.000) 1.017 17.847 ( 0.000 -2.034 0.000) 2.034 17.981 ( 0.000 -1.254 0.000) 1.254 17.990 ( 0.000 0.077 0.000) 0.077 18.109 ( 0.000 -3.811 0.000) 3.811 18.215 ( 0.000 0.319 0.000) 0.319 18.249 ( 0.000 1.508 0.000) 1.508 18.534 ( 0.000 -1.200 0.000) 1.200 18.559 ( 0.000 -0.239 0.000) 0.239 18.708 ( 0.000 -2.307 0.000) 2.307 18.723 ( 0.000 -1.287 0.000) 1.287 18.956 ( 0.000 -6.094 0.000) 6.094 19.332 ( 0.000 -7.381 0.000) 7.381 19.355 ( 0.000 -5.842 0.000) 5.842 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 15.617 16.160 0.000) 22.473 0.768 ( 16.354 18.993 0.000) 25.064 1.347 ( 32.509 23.061 0.000) 39.857 1.507 ( -14.783 5.908 0.000) 15.920 1.620 ( -22.058 4.568 0.000) 22.526 1.844 ( 14.849 2.481 0.000) 15.055 2.095 ( 2.494 1.139 0.000) 2.742 2.099 ( 4.636 -1.893 0.000) 5.008 2.161 ( 4.918 1.229 0.000) 5.069 2.278 ( 0.023 1.082 0.000) 1.083 2.327 ( -0.120 -3.013 0.000) 3.015 2.366 ( -5.055 -1.618 0.000) 5.307 2.383 ( -2.530 -2.616 0.000) 3.639 2.474 ( 2.840 -4.475 0.000) 5.300 2.586 ( 0.978 0.205 0.000) 0.999 2.593 ( 6.316 -1.359 0.000) 6.461 2.653 ( -3.751 2.662 0.000) 4.600 2.733 ( -5.398 2.331 0.000) 5.880 2.752 ( -10.580 0.257 0.000) 10.583 2.939 ( 4.412 0.378 0.000) 4.428 2.966 ( 0.647 -1.158 0.000) 1.327 3.020 ( 1.669 -0.948 0.000) 1.920 3.025 ( 0.628 2.049 0.000) 2.143 3.098 ( -8.466 0.247 0.000) 8.469 3.172 ( -1.513 -2.283 0.000) 2.739 3.172 ( 0.187 -0.476 0.000) 0.512 3.240 ( -4.223 0.331 0.000) 4.236 3.246 ( 6.582 -1.303 0.000) 6.710 3.293 ( 0.496 -4.423 0.000) 4.451 3.304 ( 0.698 -0.191 0.000) 0.724 3.341 ( 3.032 -1.598 0.000) 3.427 3.350 ( 6.204 1.419 0.000) 6.364 3.361 ( -1.885 -2.152 0.000) 2.861 3.439 ( 2.619 2.372 0.000) 3.534 3.457 ( -5.603 -2.464 0.000) 6.121 3.539 ( 0.425 -0.266 0.000) 0.501 3.588 ( -3.380 -1.298 0.000) 3.621 3.653 ( 0.781 -6.854 0.000) 6.898 3.707 ( -9.551 -5.354 0.000) 10.950 3.754 ( -3.531 -1.753 0.000) 3.942 3.846 ( -2.061 -2.332 0.000) 3.113 3.862 ( -0.713 -3.835 0.000) 3.901 3.908 ( 1.157 -0.967 0.000) 1.508 3.933 ( 1.448 2.230 0.000) 2.659 3.935 ( 3.529 -0.202 0.000) 3.535 4.004 ( -1.046 3.230 0.000) 3.395 4.056 ( -4.858 -6.037 0.000) 7.749 4.093 ( 4.015 0.243 0.000) 4.022 4.102 ( 1.651 -10.743 0.000) 10.869 4.224 ( 0.450 2.235 0.000) 2.280 4.225 ( -3.036 1.585 0.000) 3.425 4.324 ( -1.406 3.083 0.000) 3.389 4.368 ( -1.045 3.377 0.000) 3.534 4.456 ( 6.046 4.490 0.000) 7.530 4.459 ( -5.762 1.399 0.000) 5.929 4.570 ( 4.196 1.549 0.000) 4.473 4.776 ( -2.938 -6.695 0.000) 7.311 4.784 ( -4.404 1.439 0.000) 4.633 4.868 ( 1.175 -3.930 0.000) 4.102 5.002 ( -1.484 1.649 0.000) 2.219 5.026 ( 3.866 2.506 0.000) 4.608 5.066 ( -6.097 1.785 0.000) 6.352 5.091 ( 2.776 3.565 0.000) 4.519 5.262 ( 8.323 -3.260 0.000) 8.939 5.299 ( -3.645 -0.946 0.000) 3.766 5.312 ( 4.501 -1.361 0.000) 4.703 5.399 ( 8.862 -10.018 0.000) 13.375 5.480 ( -1.578 -4.747 0.000) 5.002 5.747 ( 6.089 0.405 0.000) 6.102 5.824 ( 6.486 -1.382 0.000) 6.632 5.874 ( -1.047 2.267 0.000) 2.497 6.149 ( -5.371 -8.807 0.000) 10.316 7.526 ( 1.988 10.605 0.000) 10.790 7.565 ( 2.369 12.360 0.000) 12.585 7.592 ( -2.099 10.138 0.000) 10.353 7.722 ( 0.587 5.664 0.000) 5.694 7.830 ( 3.208 8.364 0.000) 8.958 8.084 ( -4.893 2.575 0.000) 5.529 8.204 ( -1.194 1.734 0.000) 2.105 8.204 ( -0.195 1.892 0.000) 1.902 8.406 ( -0.249 1.251 0.000) 1.276 8.516 ( -4.349 -0.200 0.000) 4.354 8.606 ( 1.835 0.276 0.000) 1.855 8.660 ( 2.530 -2.470 0.000) 3.535 8.674 ( -0.888 -0.491 0.000) 1.015 8.733 ( 2.278 -1.246 0.000) 2.597 8.778 ( 1.952 -0.924 0.000) 2.160 8.824 ( -3.242 -3.136 0.000) 4.510 8.872 ( 4.358 -4.284 0.000) 6.111 9.031 ( 3.186 0.577 0.000) 3.237 9.069 ( -4.592 0.608 0.000) 4.632 9.198 ( -1.524 -2.739 0.000) 3.135 9.269 ( -2.510 3.403 0.000) 4.229 9.273 ( 1.683 -3.369 0.000) 3.766 9.350 ( -1.476 1.696 0.000) 2.248 9.356 ( 2.676 5.921 0.000) 6.497 9.420 ( -1.845 -2.136 0.000) 2.822 9.535 ( -1.890 1.006 0.000) 2.141 9.645 ( -3.172 0.524 0.000) 3.215 9.661 ( -4.182 3.075 0.000) 5.191 9.804 ( -1.554 0.504 0.000) 1.634 9.810 ( -5.208 0.736 0.000) 5.260 9.912 ( 1.079 3.406 0.000) 3.572 9.993 ( -1.631 0.841 0.000) 1.835 10.026 ( 1.104 -2.213 0.000) 2.473 10.079 ( 2.407 -1.024 0.000) 2.616 10.107 ( -0.439 -1.503 0.000) 1.566 10.177 ( -2.054 0.451 0.000) 2.103 10.192 ( 5.554 1.311 0.000) 5.707 10.234 ( -2.610 5.075 0.000) 5.707 10.368 ( 3.089 1.917 0.000) 3.635 10.423 ( -1.991 -5.411 0.000) 5.766 10.460 ( -4.022 -2.833 0.000) 4.920 10.670 ( -6.754 -0.316 0.000) 6.761 10.704 ( 1.627 -2.117 0.000) 2.670 10.770 ( -20.462 23.293 0.000) 31.004 10.994 ( 5.288 -1.512 0.000) 5.500 11.050 ( 2.001 -1.126 0.000) 2.296 11.220 ( -7.122 -3.931 0.000) 8.135 11.305 ( -7.286 0.426 0.000) 7.299 11.367 ( -3.003 -1.668 0.000) 3.436 11.532 ( -9.267 1.834 0.000) 9.447 11.671 ( 4.549 0.118 0.000) 4.550 11.682 ( 8.411 -2.278 0.000) 8.714 11.801 ( 12.466 -2.804 0.000) 12.777 11.923 ( -3.756 0.202 0.000) 3.762 11.990 ( -3.813 -0.324 0.000) 3.827 12.012 ( 1.053 -0.038 0.000) 1.053 12.043 ( 2.716 0.876 0.000) 2.854 12.168 ( -0.900 2.318 0.000) 2.487 12.442 ( -2.078 -0.513 0.000) 2.141 12.481 ( -1.497 1.527 0.000) 2.139 12.646 ( -3.089 10.764 0.000) 11.199 12.951 ( 11.136 2.542 0.000) 11.423 13.020 ( -10.586 0.620 0.000) 10.604 13.135 ( 7.231 1.791 0.000) 7.449 13.288 ( -1.204 1.686 0.000) 2.072 13.491 ( -4.575 -2.484 0.000) 5.206 13.772 ( -0.010 0.299 0.000) 0.299 13.852 ( 1.852 -2.744 0.000) 3.311 14.051 ( -6.863 2.210 0.000) 7.210 14.104 ( 9.965 -1.745 0.000) 10.116 14.212 ( -5.943 0.001 0.000) 5.943 14.399 ( -2.752 -2.251 0.000) 3.556 14.662 ( 4.561 -6.174 0.000) 7.676 14.666 ( 0.394 -4.318 0.000) 4.336 14.835 ( -7.224 3.193 0.000) 7.898 14.861 ( -4.770 1.959 0.000) 5.157 15.300 ( -0.571 0.205 0.000) 0.607 15.331 ( -1.267 -0.286 0.000) 1.298 15.411 ( -0.075 3.534 0.000) 3.534 15.451 ( -1.421 4.410 0.000) 4.633 15.510 ( 2.958 2.339 0.000) 3.771 15.670 ( -1.986 -0.936 0.000) 2.195 15.738 ( 9.677 1.404 0.000) 9.779 15.913 ( 2.201 1.636 0.000) 2.743 15.937 ( 1.044 5.957 0.000) 6.047 15.980 ( 5.264 -0.903 0.000) 5.341 16.088 ( -3.527 2.030 0.000) 4.069 16.194 ( 5.778 -2.643 0.000) 6.354 16.242 ( -4.350 -5.227 0.000) 6.800 16.531 ( -7.926 -5.032 0.000) 9.389 16.569 ( 13.297 -14.526 0.000) 19.693 16.611 ( 0.921 -1.100 0.000) 1.435 17.567 ( 12.644 -1.234 0.000) 12.704 17.599 ( 3.737 -0.034 0.000) 3.737 17.797 ( -4.051 -1.687 0.000) 4.388 17.865 ( 11.095 -11.496 0.000) 15.976 17.985 ( 1.015 -2.535 0.000) 2.731 18.048 ( 3.860 0.547 0.000) 3.899 18.055 ( -4.695 -4.915 0.000) 6.797 18.193 ( -2.128 0.249 0.000) 2.143 18.304 ( 5.310 1.078 0.000) 5.419 18.569 ( 3.297 -1.639 0.000) 3.682 18.634 ( -5.968 -1.903 0.000) 6.264 18.701 ( -1.974 -1.298 0.000) 2.363 18.704 ( 9.527 -10.617 0.000) 14.265 18.934 ( -2.046 -7.073 0.000) 7.363 19.329 ( -0.089 -6.880 0.000) 6.881 19.347 ( -0.693 -5.823 0.000) 5.864 ======================= Grid point 7 (6/45) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -18.513 8.643 0.000) 20.431 1.066 ( 18.513 8.643 0.000) 20.431 1.161 ( -19.403 11.455 0.000) 22.532 1.161 ( 19.403 11.455 0.000) 22.532 2.116 ( -15.779 4.293 0.000) 16.353 2.116 ( 15.779 4.293 0.000) 16.353 2.143 ( -4.462 -1.369 0.000) 4.667 2.143 ( 4.462 -1.369 0.000) 4.667 2.235 ( -7.781 3.770 0.000) 8.646 2.235 ( 7.781 3.770 0.000) 8.646 2.266 ( -3.422 2.256 0.000) 4.099 2.266 ( 3.422 2.256 0.000) 4.099 2.359 ( -2.690 1.043 0.000) 2.885 2.359 ( 2.690 1.043 0.000) 2.885 2.445 ( -1.724 -0.494 0.000) 1.794 2.445 ( 1.724 -0.494 0.000) 1.794 2.717 ( -2.673 -0.332 0.000) 2.694 2.717 ( 2.673 -0.332 0.000) 2.694 2.837 ( -11.712 -0.915 0.000) 11.748 2.837 ( 11.712 -0.915 0.000) 11.748 2.891 ( -3.398 3.327 0.000) 4.755 2.891 ( 3.398 3.327 0.000) 4.755 3.120 ( -3.279 -1.819 0.000) 3.750 3.120 ( 3.279 -1.819 0.000) 3.750 3.158 ( -4.957 -0.788 0.000) 5.020 3.158 ( 4.957 -0.788 0.000) 5.020 3.274 ( -0.093 -5.629 0.000) 5.630 3.274 ( 0.093 -5.629 0.000) 5.630 3.315 ( -3.071 -2.889 0.000) 4.216 3.315 ( 3.071 -2.889 0.000) 4.216 3.351 ( -0.605 -1.613 0.000) 1.723 3.351 ( 0.605 -1.613 0.000) 1.723 3.480 ( -2.832 1.558 0.000) 3.232 3.480 ( 2.832 1.558 0.000) 3.232 3.496 ( -2.941 -4.097 0.000) 5.043 3.496 ( 2.941 -4.097 0.000) 5.043 3.601 ( -7.731 -0.281 0.000) 7.736 3.601 ( 7.731 -0.281 0.000) 7.736 3.613 ( -5.188 -2.524 0.000) 5.769 3.613 ( 5.188 -2.524 0.000) 5.769 3.837 ( -0.844 -1.258 0.000) 1.515 3.837 ( 0.844 -1.258 0.000) 1.515 3.944 ( -4.115 -3.863 0.000) 5.644 3.944 ( 4.115 -3.863 0.000) 5.644 3.970 ( -1.466 5.266 0.000) 5.466 3.970 ( 1.466 5.266 0.000) 5.466 4.064 ( -5.116 -5.774 0.000) 7.715 4.064 ( 5.116 -5.774 0.000) 7.715 4.167 ( -2.498 -1.733 0.000) 3.040 4.167 ( 2.498 -1.733 0.000) 3.040 4.263 ( -5.676 -0.293 0.000) 5.683 4.263 ( 5.676 -0.293 0.000) 5.683 4.383 ( -2.980 2.360 0.000) 3.801 4.383 ( 2.980 2.360 0.000) 3.801 4.619 ( -9.019 6.317 0.000) 11.011 4.619 ( 9.019 6.317 0.000) 11.011 4.666 ( -5.736 -2.093 0.000) 6.106 4.666 ( 5.736 -2.093 0.000) 6.106 4.943 ( -5.366 -2.622 0.000) 5.973 4.943 ( 5.366 -2.622 0.000) 5.973 5.039 ( -3.185 2.658 0.000) 4.149 5.039 ( 3.185 2.658 0.000) 4.149 5.171 ( -6.609 0.434 0.000) 6.624 5.171 ( 6.609 0.434 0.000) 6.624 5.412 ( -5.062 -4.658 0.000) 6.879 5.412 ( 5.062 -4.658 0.000) 6.879 5.437 ( -4.427 -4.193 0.000) 6.098 5.437 ( 4.427 -4.193 0.000) 6.098 5.835 ( -2.808 3.018 0.000) 4.122 5.835 ( 2.808 3.018 0.000) 4.122 5.997 ( -8.540 -7.071 0.000) 11.088 5.997 ( 8.540 -7.071 0.000) 11.088 7.557 ( -1.359 10.040 0.000) 10.131 7.557 ( 1.359 10.040 0.000) 10.131 7.654 ( -5.111 9.844 0.000) 11.092 7.654 ( 5.111 9.844 0.000) 11.092 7.953 ( -6.959 6.105 0.000) 9.257 7.953 ( 6.959 6.105 0.000) 9.257 8.197 ( -0.281 1.917 0.000) 1.938 8.197 ( 0.281 1.917 0.000) 1.938 8.430 ( -2.902 1.459 0.000) 3.248 8.430 ( 2.902 1.459 0.000) 3.248 8.649 ( -1.827 -0.432 0.000) 1.877 8.649 ( 1.827 -0.432 0.000) 1.877 8.733 ( -4.180 -2.159 0.000) 4.705 8.733 ( 4.180 -2.159 0.000) 4.705 8.781 ( -1.803 -1.264 0.000) 2.202 8.781 ( 1.803 -1.264 0.000) 2.202 8.960 ( -4.837 -1.201 0.000) 4.984 8.960 ( 4.837 -1.201 0.000) 4.984 9.151 ( -4.545 -1.030 0.000) 4.661 9.151 ( 4.545 -1.030 0.000) 4.661 9.260 ( -1.981 1.044 0.000) 2.239 9.260 ( 1.981 1.044 0.000) 2.239 9.356 ( -2.372 -1.006 0.000) 2.577 9.356 ( 2.372 -1.006 0.000) 2.577 9.450 ( -5.313 3.374 0.000) 6.294 9.450 ( 5.313 3.374 0.000) 6.294 9.609 ( -0.373 1.993 0.000) 2.028 9.609 ( 0.373 1.993 0.000) 2.028 9.771 ( -0.756 -0.792 0.000) 1.095 9.771 ( 0.756 -0.792 0.000) 1.095 9.948 ( -2.374 2.056 0.000) 3.140 9.948 ( 2.374 2.056 0.000) 3.140 10.045 ( -1.994 -2.679 0.000) 3.339 10.045 ( 1.994 -2.679 0.000) 3.339 10.137 ( -2.247 -0.305 0.000) 2.268 10.137 ( 2.247 -0.305 0.000) 2.268 10.257 ( -2.424 9.929 0.000) 10.221 10.257 ( 2.424 9.929 0.000) 10.221 10.382 ( -1.460 -4.542 0.000) 4.771 10.382 ( 1.460 -4.542 0.000) 4.771 10.522 ( -6.854 -0.122 0.000) 6.855 10.522 ( 6.854 -0.122 0.000) 6.855 10.641 ( -3.777 3.617 0.000) 5.230 10.641 ( 3.777 3.617 0.000) 5.230 11.096 ( -4.799 -2.647 0.000) 5.480 11.096 ( 4.799 -2.647 0.000) 5.480 11.166 ( -7.263 -2.177 0.000) 7.582 11.166 ( 7.263 -2.177 0.000) 7.582 11.381 ( -4.143 0.301 0.000) 4.154 11.381 ( 4.143 0.301 0.000) 4.154 11.784 ( -4.556 -0.535 0.000) 4.587 11.784 ( 4.556 -0.535 0.000) 4.587 11.875 ( -5.327 -0.331 0.000) 5.337 11.875 ( 5.327 -0.331 0.000) 5.337 11.979 ( -4.266 -1.297 0.000) 4.459 11.979 ( 4.266 -1.297 0.000) 4.459 12.126 ( -3.519 1.841 0.000) 3.972 12.126 ( 3.519 1.841 0.000) 3.972 12.458 ( -0.678 -1.091 0.000) 1.285 12.458 ( 0.678 -1.091 0.000) 1.285 12.762 ( -11.797 1.991 0.000) 11.964 12.762 ( 11.797 1.991 0.000) 11.964 13.200 ( -8.700 -0.585 0.000) 8.719 13.200 ( 8.700 -0.585 0.000) 8.719 13.325 ( -9.648 0.628 0.000) 9.669 13.325 ( 9.648 0.628 0.000) 9.669 13.879 ( -8.086 1.018 0.000) 8.149 13.879 ( 8.086 1.018 0.000) 8.149 13.982 ( -10.960 -1.508 0.000) 11.063 13.982 ( 10.960 -1.508 0.000) 11.063 14.297 ( -6.991 -2.363 0.000) 7.380 14.297 ( 6.991 -2.363 0.000) 7.380 14.716 ( -0.916 -1.655 0.000) 1.891 14.716 ( 0.916 -1.655 0.000) 1.891 14.751 ( -1.756 1.568 0.000) 2.354 14.751 ( 1.756 1.568 0.000) 2.354 15.303 ( -0.959 -0.142 0.000) 0.969 15.303 ( 0.959 -0.142 0.000) 0.969 15.423 ( -1.046 4.101 0.000) 4.232 15.423 ( 1.046 4.101 0.000) 4.232 15.589 ( -4.252 2.536 0.000) 4.950 15.589 ( 4.252 2.536 0.000) 4.950 15.913 ( -4.489 1.545 0.000) 4.748 15.913 ( 4.489 1.545 0.000) 4.748 15.966 ( -3.133 4.345 0.000) 5.357 15.966 ( 3.133 4.345 0.000) 5.357 16.129 ( -5.981 -3.031 0.000) 6.705 16.129 ( 5.981 -3.031 0.000) 6.705 16.342 ( -8.375 -3.546 0.000) 9.094 16.342 ( 8.375 -3.546 0.000) 9.094 16.651 ( -1.004 -4.578 0.000) 4.687 16.651 ( 1.004 -4.578 0.000) 4.687 17.697 ( -5.103 -0.978 0.000) 5.195 17.697 ( 5.103 -0.978 0.000) 5.195 17.827 ( -10.409 -2.518 0.000) 10.709 17.827 ( 10.409 -2.518 0.000) 10.709 18.005 ( -0.552 -5.745 0.000) 5.771 18.005 ( 0.552 -5.745 0.000) 5.771 18.130 ( -3.629 0.644 0.000) 3.686 18.130 ( 3.629 0.644 0.000) 3.686 18.462 ( -8.959 -0.196 0.000) 8.962 18.462 ( 8.959 -0.196 0.000) 8.962 18.644 ( -3.368 -1.357 0.000) 3.631 18.644 ( 3.368 -1.357 0.000) 3.631 18.863 ( -5.029 -10.232 0.000) 11.401 18.863 ( 5.029 -10.232 0.000) 11.401 19.333 ( -0.472 -6.101 0.000) 6.119 19.333 ( 0.472 -6.101 0.000) 6.119 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.000 21.463 0.000) 21.463 0.967 ( 0.000 22.400 0.000) 22.400 1.732 ( 0.000 35.333 0.000) 35.333 1.758 ( 0.000 5.940 0.000) 5.940 1.871 ( 0.000 5.073 0.000) 5.073 2.010 ( 0.000 -5.416 0.000) 5.416 2.062 ( 0.000 4.771 0.000) 4.771 2.069 ( 0.000 3.391 0.000) 3.391 2.129 ( 0.000 3.840 0.000) 3.840 2.155 ( 0.000 2.834 0.000) 2.834 2.244 ( 0.000 2.951 0.000) 2.951 2.312 ( 0.000 -2.871 0.000) 2.871 2.357 ( 0.000 -5.105 0.000) 5.105 2.470 ( 0.000 5.087 0.000) 5.087 2.472 ( 0.000 -8.079 0.000) 8.079 2.483 ( 0.000 -3.644 0.000) 3.644 2.781 ( 0.000 0.332 0.000) 0.332 2.805 ( 0.000 -0.289 0.000) 0.289 2.838 ( 0.000 6.562 0.000) 6.562 2.918 ( 0.000 -5.368 0.000) 5.368 2.948 ( 0.000 -8.392 0.000) 8.392 2.966 ( 0.000 -3.034 0.000) 3.034 3.033 ( 0.000 -4.135 0.000) 4.135 3.038 ( 0.000 -9.196 0.000) 9.196 3.059 ( 0.000 4.529 0.000) 4.529 3.120 ( 0.000 -11.189 0.000) 11.189 3.130 ( 0.000 2.358 0.000) 2.358 3.168 ( 0.000 -1.845 0.000) 1.845 3.239 ( 0.000 0.812 0.000) 0.812 3.270 ( 0.000 -4.548 0.000) 4.548 3.271 ( 0.000 -1.395 0.000) 1.395 3.323 ( 0.000 -16.147 0.000) 16.147 3.325 ( 0.000 -4.181 0.000) 4.181 3.407 ( 0.000 -1.659 0.000) 1.659 3.426 ( 0.000 -0.645 0.000) 0.645 3.505 ( 0.000 0.022 0.000) 0.022 3.585 ( 0.000 -5.737 0.000) 5.737 3.656 ( 0.000 -2.606 0.000) 2.606 3.738 ( 0.000 4.743 0.000) 4.743 3.784 ( 0.000 -4.246 0.000) 4.246 3.790 ( 0.000 -3.990 0.000) 3.990 3.801 ( 0.000 3.088 0.000) 3.088 3.848 ( 0.000 -2.105 0.000) 2.105 3.906 ( 0.000 -0.242 0.000) 0.242 3.948 ( 0.000 -7.092 0.000) 7.092 3.958 ( 0.000 -1.123 0.000) 1.123 4.023 ( 0.000 3.823 0.000) 3.823 4.084 ( 0.000 2.111 0.000) 2.111 4.143 ( 0.000 5.820 0.000) 5.820 4.243 ( 0.000 -0.564 0.000) 0.564 4.269 ( 0.000 -5.709 0.000) 5.709 4.273 ( 0.000 -0.404 0.000) 0.404 4.367 ( 0.000 -4.080 0.000) 4.080 4.535 ( 0.000 8.540 0.000) 8.540 4.547 ( 0.000 -2.036 0.000) 2.036 4.643 ( 0.000 9.138 0.000) 9.138 4.667 ( 0.000 3.312 0.000) 3.312 4.810 ( 0.000 -1.666 0.000) 1.666 4.927 ( 0.000 4.720 0.000) 4.720 4.947 ( 0.000 -6.058 0.000) 6.058 5.043 ( 0.000 1.039 0.000) 1.039 5.076 ( 0.000 4.586 0.000) 4.586 5.136 ( 0.000 -2.574 0.000) 2.574 5.148 ( 0.000 2.040 0.000) 2.040 5.241 ( 0.000 -4.821 0.000) 4.821 5.291 ( 0.000 1.728 0.000) 1.728 5.336 ( 0.000 3.695 0.000) 3.695 5.348 ( 0.000 -9.052 0.000) 9.052 5.579 ( 0.000 -4.187 0.000) 4.187 5.857 ( 0.000 4.907 0.000) 4.907 5.931 ( 0.000 2.108 0.000) 2.108 5.966 ( 0.000 -12.559 0.000) 12.559 7.794 ( 0.000 14.073 0.000) 14.073 7.802 ( 0.000 7.825 0.000) 7.825 7.853 ( 0.000 17.484 0.000) 17.484 7.938 ( 0.000 13.968 0.000) 13.968 7.999 ( 0.000 12.281 0.000) 12.281 8.187 ( 0.000 3.842 0.000) 3.842 8.225 ( 0.000 1.177 0.000) 1.177 8.245 ( 0.000 2.316 0.000) 2.316 8.465 ( 0.000 4.193 0.000) 4.193 8.531 ( 0.000 -1.391 0.000) 1.391 8.555 ( 0.000 -4.292 0.000) 4.292 8.593 ( 0.000 -0.682 0.000) 0.682 8.629 ( 0.000 -4.703 0.000) 4.703 8.677 ( 0.000 -1.167 0.000) 1.167 8.702 ( 0.000 -4.861 0.000) 4.861 8.748 ( 0.000 -3.010 0.000) 3.010 8.784 ( 0.000 1.098 0.000) 1.098 9.036 ( 0.000 1.007 0.000) 1.007 9.038 ( 0.000 -8.971 0.000) 8.971 9.155 ( 0.000 1.265 0.000) 1.265 9.197 ( 0.000 -3.436 0.000) 3.436 9.317 ( 0.000 -1.082 0.000) 1.082 9.350 ( 0.000 -4.180 0.000) 4.180 9.357 ( 0.000 -6.765 0.000) 6.765 9.510 ( 0.000 10.512 0.000) 10.512 9.547 ( 0.000 2.067 0.000) 2.067 9.698 ( 0.000 -0.229 0.000) 0.229 9.776 ( 0.000 -1.942 0.000) 1.942 9.789 ( 0.000 2.325 0.000) 2.325 9.830 ( 0.000 -7.788 0.000) 7.788 9.970 ( 0.000 -3.112 0.000) 3.112 9.973 ( 0.000 -2.478 0.000) 2.478 9.980 ( 0.000 0.583 0.000) 0.583 10.063 ( 0.000 4.867 0.000) 4.867 10.096 ( 0.000 11.833 0.000) 11.833 10.169 ( 0.000 -4.438 0.000) 4.438 10.279 ( 0.000 0.759 0.000) 0.759 10.313 ( 0.000 3.155 0.000) 3.155 10.349 ( 0.000 -7.129 0.000) 7.129 10.388 ( 0.000 -7.065 0.000) 7.065 10.413 ( 0.000 8.827 0.000) 8.827 10.546 ( 0.000 -1.516 0.000) 1.516 10.731 ( 0.000 -5.177 0.000) 5.177 10.948 ( 0.000 3.668 0.000) 3.668 11.039 ( 0.000 -0.223 0.000) 0.223 11.109 ( 0.000 -9.540 0.000) 9.540 11.160 ( 0.000 -9.821 0.000) 9.821 11.280 ( 0.000 -5.962 0.000) 5.962 11.358 ( 0.000 -6.473 0.000) 6.473 11.487 ( 0.000 -1.507 0.000) 1.507 11.547 ( 0.000 -4.632 0.000) 4.632 11.562 ( 0.000 -0.302 0.000) 0.302 11.783 ( 0.000 4.292 0.000) 4.292 11.958 ( 0.000 0.290 0.000) 0.290 11.993 ( 0.000 -1.887 0.000) 1.887 12.012 ( 0.000 -1.197 0.000) 1.197 12.029 ( 0.000 2.052 0.000) 2.052 12.203 ( 0.000 -0.657 0.000) 0.657 12.568 ( 0.000 3.435 0.000) 3.435 12.573 ( 0.000 1.680 0.000) 1.680 12.903 ( 0.000 5.568 0.000) 5.568 13.050 ( 0.000 3.368 0.000) 3.368 13.209 ( 0.000 4.314 0.000) 4.314 13.363 ( 0.000 2.406 0.000) 2.406 13.376 ( 0.000 -7.237 0.000) 7.237 13.712 ( 0.000 -1.892 0.000) 1.892 13.786 ( 0.000 -3.565 0.000) 3.565 13.844 ( 0.000 -4.302 0.000) 4.302 13.900 ( 0.000 2.556 0.000) 2.556 13.993 ( 0.000 3.732 0.000) 3.732 14.258 ( 0.000 -0.465 0.000) 0.465 14.287 ( 0.000 1.237 0.000) 1.237 14.402 ( 0.000 -1.631 0.000) 1.631 14.525 ( 0.000 -7.358 0.000) 7.358 14.920 ( 0.000 1.118 0.000) 1.118 15.004 ( 0.000 1.372 0.000) 1.372 15.328 ( 0.000 1.087 0.000) 1.087 15.343 ( 0.000 0.139 0.000) 0.139 15.414 ( 0.000 3.627 0.000) 3.627 15.497 ( 0.000 3.917 0.000) 3.917 15.524 ( 0.000 3.182 0.000) 3.182 15.602 ( 0.000 5.348 0.000) 5.348 15.642 ( 0.000 2.466 0.000) 2.466 15.892 ( 0.000 -1.405 0.000) 1.405 15.920 ( 0.000 -2.101 0.000) 2.101 16.073 ( 0.000 7.317 0.000) 7.317 16.112 ( 0.000 5.183 0.000) 5.183 16.125 ( 0.000 -9.212 0.000) 9.212 16.214 ( 0.000 2.797 0.000) 2.797 16.237 ( 0.000 5.820 0.000) 5.820 16.509 ( 0.000 -8.023 0.000) 8.023 16.576 ( 0.000 0.656 0.000) 0.656 17.435 ( 0.000 2.647 0.000) 2.647 17.575 ( 0.000 1.325 0.000) 1.325 17.595 ( 0.000 1.692 0.000) 1.692 17.794 ( 0.000 -2.911 0.000) 2.911 17.943 ( 0.000 -2.430 0.000) 2.430 17.996 ( 0.000 0.652 0.000) 0.652 18.004 ( 0.000 -6.159 0.000) 6.159 18.212 ( 0.000 -0.986 0.000) 0.986 18.301 ( 0.000 3.735 0.000) 3.735 18.503 ( 0.000 -1.667 0.000) 1.667 18.556 ( 0.000 0.041 0.000) 0.041 18.662 ( 0.000 -1.513 0.000) 1.513 18.685 ( 0.000 -2.334 0.000) 2.334 18.795 ( 0.000 -8.878 0.000) 8.878 19.127 ( 0.000 -12.014 0.000) 12.014 19.193 ( 0.000 -9.541 0.000) 9.541 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 8.350 18.129 0.000) 19.960 1.165 ( 13.528 19.366 0.000) 23.623 1.616 ( -15.464 6.738 0.000) 16.868 1.767 ( -16.186 9.872 0.000) 18.959 1.924 ( 13.651 5.227 0.000) 14.617 1.926 ( 17.398 26.170 0.000) 31.425 2.072 ( 2.872 -1.311 0.000) 3.157 2.126 ( 1.529 2.070 0.000) 2.573 2.161 ( 6.727 2.323 0.000) 7.117 2.269 ( -0.174 -2.324 0.000) 2.330 2.312 ( 1.440 2.213 0.000) 2.640 2.340 ( -1.401 -0.393 0.000) 1.455 2.390 ( 2.963 -4.222 0.000) 5.158 2.431 ( -1.883 6.561 0.000) 6.826 2.524 ( 5.265 -4.063 0.000) 6.650 2.567 ( 8.607 -2.253 0.000) 8.897 2.723 ( -12.760 2.190 0.000) 12.946 2.766 ( -0.324 1.319 0.000) 1.358 2.766 ( -4.119 0.392 0.000) 4.137 2.875 ( -0.262 -4.244 0.000) 4.252 2.913 ( -0.401 -3.580 0.000) 3.602 2.945 ( -2.660 -5.599 0.000) 6.198 3.026 ( 2.647 -6.795 0.000) 7.293 3.050 ( 2.026 -4.686 0.000) 5.105 3.095 ( -3.779 -2.379 0.000) 4.465 3.141 ( 0.443 -6.856 0.000) 6.870 3.150 ( 0.247 -3.357 0.000) 3.366 3.196 ( 2.550 -6.975 0.000) 7.426 3.237 ( 0.280 -5.549 0.000) 5.556 3.267 ( 2.406 -4.067 0.000) 4.726 3.293 ( -10.265 -1.319 0.000) 10.349 3.317 ( 1.054 -1.230 0.000) 1.620 3.379 ( 7.400 0.212 0.000) 7.403 3.384 ( -3.799 -1.933 0.000) 4.263 3.455 ( 4.221 -0.270 0.000) 4.230 3.498 ( 2.088 -4.909 0.000) 5.335 3.522 ( -5.392 -4.798 0.000) 7.218 3.589 ( -0.284 -0.138 0.000) 0.315 3.668 ( -6.772 7.993 0.000) 10.476 3.722 ( -2.972 0.483 0.000) 3.011 3.776 ( -2.684 -4.252 0.000) 5.029 3.811 ( 0.976 -2.400 0.000) 2.591 3.849 ( 2.549 -3.440 0.000) 4.281 3.905 ( -2.489 -7.802 0.000) 8.189 3.945 ( 1.311 -2.590 0.000) 2.903 3.988 ( -1.719 3.937 0.000) 4.296 4.004 ( 4.148 2.641 0.000) 4.918 4.102 ( 0.599 4.431 0.000) 4.471 4.153 ( -1.737 5.031 0.000) 5.322 4.244 ( -2.780 0.002 0.000) 2.780 4.271 ( 3.637 2.178 0.000) 4.239 4.338 ( -0.172 -1.463 0.000) 1.473 4.348 ( -4.396 -5.220 0.000) 6.825 4.473 ( 4.702 -0.012 0.000) 4.702 4.503 ( -2.360 3.087 0.000) 3.886 4.694 ( 3.067 8.543 0.000) 9.077 4.703 ( 0.385 0.168 0.000) 0.420 4.772 ( -3.325 -2.339 0.000) 4.065 4.829 ( -3.029 0.012 0.000) 3.029 5.022 ( -1.177 0.012 0.000) 1.177 5.050 ( 4.324 -0.192 0.000) 4.328 5.068 ( -4.827 -1.006 0.000) 4.931 5.143 ( -0.015 -0.158 0.000) 0.159 5.193 ( 4.362 -3.648 0.000) 5.687 5.252 ( -3.759 -1.946 0.000) 4.233 5.289 ( 6.641 0.599 0.000) 6.668 5.339 ( -0.945 -6.944 0.000) 7.008 5.386 ( 3.100 2.026 0.000) 3.704 5.662 ( 6.539 -6.320 0.000) 9.094 5.878 ( 1.783 4.344 0.000) 4.696 5.919 ( -4.147 -12.483 0.000) 13.154 5.932 ( -0.218 3.122 0.000) 3.129 7.781 ( -0.709 12.396 0.000) 12.416 7.792 ( -0.820 8.318 0.000) 8.359 7.877 ( 1.715 16.839 0.000) 16.926 7.932 ( -0.599 13.491 0.000) 13.504 8.043 ( 3.545 12.009 0.000) 12.522 8.167 ( -1.580 5.693 0.000) 5.908 8.222 ( -0.052 1.243 0.000) 1.244 8.247 ( -0.283 2.338 0.000) 2.355 8.458 ( -0.037 4.201 0.000) 4.201 8.520 ( -1.058 0.959 0.000) 1.428 8.569 ( 1.524 -3.931 0.000) 4.216 8.627 ( 2.694 -0.737 0.000) 2.793 8.630 ( -0.256 -3.360 0.000) 3.370 8.704 ( 2.213 -1.324 0.000) 2.579 8.725 ( 0.075 -5.446 0.000) 5.446 8.764 ( 1.765 -4.703 0.000) 5.023 8.798 ( 1.854 1.107 0.000) 2.159 9.042 ( -3.140 -5.769 0.000) 6.569 9.044 ( 1.672 0.470 0.000) 1.737 9.116 ( -0.242 -2.361 0.000) 2.374 9.207 ( 1.296 -2.771 0.000) 3.059 9.273 ( -3.102 -2.805 0.000) 4.182 9.312 ( -4.022 -7.197 0.000) 8.245 9.330 ( -2.053 -2.557 0.000) 3.279 9.526 ( 1.340 8.152 0.000) 8.262 9.568 ( 1.406 2.112 0.000) 2.537 9.663 ( -1.435 1.557 0.000) 2.117 9.714 ( -4.269 1.821 0.000) 4.641 9.798 ( 0.209 -1.778 0.000) 1.791 9.832 ( -2.409 -1.034 0.000) 2.621 9.962 ( -0.754 -3.269 0.000) 3.355 9.979 ( 1.128 -2.081 0.000) 2.367 10.002 ( 1.648 -2.929 0.000) 3.360 10.053 ( -2.827 9.374 0.000) 9.791 10.101 ( 0.245 1.392 0.000) 1.413 10.141 ( -2.244 -3.551 0.000) 4.201 10.208 ( -0.270 -0.732 0.000) 0.780 10.314 ( -2.054 -4.064 0.000) 4.554 10.341 ( -2.497 -2.413 0.000) 3.473 10.386 ( 6.217 8.030 0.000) 10.155 10.475 ( 3.390 4.283 0.000) 5.462 10.603 ( 0.485 -5.148 0.000) 5.171 10.664 ( -3.197 -2.408 0.000) 4.003 10.955 ( -8.847 -0.882 0.000) 8.891 10.981 ( 2.209 0.459 0.000) 2.256 11.031 ( 1.617 -0.109 0.000) 1.621 11.090 ( -2.518 -8.079 0.000) 8.462 11.326 ( 0.300 -2.122 0.000) 2.143 11.351 ( -5.312 0.503 0.000) 5.336 11.584 ( -7.086 1.314 0.000) 7.207 11.630 ( 9.356 -2.357 0.000) 9.648 11.630 ( 10.524 -3.757 0.000) 11.174 11.777 ( 3.709 1.073 0.000) 3.861 11.917 ( -3.604 -0.992 0.000) 3.738 11.985 ( -3.079 -0.127 0.000) 3.082 11.999 ( -0.793 -0.945 0.000) 1.234 12.078 ( 4.753 2.290 0.000) 5.276 12.201 ( -0.420 0.622 0.000) 0.750 12.453 ( -8.214 1.483 0.000) 8.347 12.520 ( -4.039 1.930 0.000) 4.476 12.872 ( -7.871 8.845 0.000) 11.840 13.031 ( -11.930 0.157 0.000) 11.931 13.032 ( -2.037 5.740 0.000) 6.090 13.199 ( 3.421 4.692 0.000) 5.807 13.323 ( -4.124 1.299 0.000) 4.324 13.445 ( 0.643 -1.456 0.000) 1.592 13.761 ( 1.225 -1.559 0.000) 1.983 13.782 ( 4.170 -3.898 0.000) 5.709 14.065 ( 3.293 -1.927 0.000) 3.816 14.101 ( -7.714 2.125 0.000) 8.001 14.211 ( -5.431 0.067 0.000) 5.432 14.321 ( -1.918 -5.121 0.000) 5.468 14.546 ( 10.615 -4.112 0.000) 11.384 14.585 ( 5.161 -3.398 0.000) 6.179 14.885 ( -7.916 1.743 0.000) 8.106 14.898 ( -4.171 1.340 0.000) 4.381 15.314 ( -0.835 1.037 0.000) 1.332 15.330 ( -1.052 0.247 0.000) 1.081 15.497 ( 1.053 4.638 0.000) 4.756 15.537 ( 0.945 2.562 0.000) 2.730 15.576 ( 3.016 3.968 0.000) 4.984 15.621 ( 3.798 -1.137 0.000) 3.964 15.767 ( 9.177 1.115 0.000) 9.244 15.936 ( 2.612 0.361 0.000) 2.636 15.965 ( 3.471 -1.393 0.000) 3.740 16.079 ( 0.355 6.763 0.000) 6.773 16.096 ( -2.540 -8.051 0.000) 8.442 16.129 ( -1.423 1.986 0.000) 2.443 16.193 ( 1.651 3.003 0.000) 3.427 16.408 ( 11.905 -1.358 0.000) 11.982 16.422 ( -6.541 -4.978 0.000) 8.219 16.590 ( 0.533 -0.692 0.000) 0.874 17.547 ( 9.204 -0.333 0.000) 9.210 17.604 ( 2.600 0.599 0.000) 2.668 17.719 ( 9.283 -3.441 0.000) 9.900 17.755 ( -3.207 -2.231 0.000) 3.907 17.926 ( -1.060 -3.270 0.000) 3.438 17.943 ( -5.733 -6.053 0.000) 8.338 18.055 ( 4.045 0.311 0.000) 4.057 18.190 ( -1.912 -0.710 0.000) 2.039 18.343 ( 4.088 2.950 0.000) 5.041 18.524 ( 2.484 -2.261 0.000) 3.359 18.592 ( 2.167 -1.878 0.000) 2.867 18.605 ( -4.218 -1.325 0.000) 4.421 18.663 ( -2.034 -2.398 0.000) 3.144 18.762 ( -3.063 -8.799 0.000) 9.317 19.139 ( 1.042 -11.082 0.000) 11.131 19.185 ( -0.724 -9.486 0.000) 9.513 ======================= Grid point 12 (9/45) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -13.039 11.877 0.000) 17.637 1.287 ( 13.039 11.877 0.000) 17.637 1.456 ( -12.714 16.380 0.000) 20.735 1.456 ( 12.714 16.380 0.000) 20.735 2.106 ( -0.557 -1.955 0.000) 2.033 2.106 ( 0.557 -1.955 0.000) 2.033 2.195 ( -1.096 3.789 0.000) 3.944 2.195 ( 1.096 3.789 0.000) 3.944 2.317 ( -2.130 0.749 0.000) 2.257 2.317 ( 2.130 0.749 0.000) 2.257 2.328 ( -0.028 3.239 0.000) 3.239 2.328 ( 0.028 3.239 0.000) 3.239 2.380 ( -2.874 5.492 0.000) 6.198 2.380 ( 2.874 5.492 0.000) 6.198 2.532 ( -9.936 6.440 0.000) 11.841 2.532 ( 9.936 6.440 0.000) 11.841 2.683 ( -6.671 -2.718 0.000) 7.204 2.683 ( 6.671 -2.718 0.000) 7.204 2.809 ( -3.047 -2.069 0.000) 3.683 2.809 ( 3.047 -2.069 0.000) 3.683 2.921 ( -3.365 -1.498 0.000) 3.683 2.921 ( 3.365 -1.498 0.000) 3.683 3.029 ( -2.596 -6.541 0.000) 7.037 3.029 ( 2.596 -6.541 0.000) 7.037 3.094 ( -1.603 -5.759 0.000) 5.978 3.094 ( 1.603 -5.759 0.000) 5.978 3.169 ( -4.544 -6.394 0.000) 7.844 3.169 ( 4.544 -6.394 0.000) 7.844 3.227 ( -1.899 -3.135 0.000) 3.666 3.227 ( 1.899 -3.135 0.000) 3.666 3.301 ( -0.904 -4.207 0.000) 4.303 3.301 ( 0.904 -4.207 0.000) 4.303 3.403 ( -3.218 -3.520 0.000) 4.769 3.403 ( 3.218 -3.520 0.000) 4.769 3.507 ( -1.466 -0.481 0.000) 1.543 3.507 ( 1.466 -0.481 0.000) 1.543 3.584 ( -7.942 -1.503 0.000) 8.083 3.584 ( 7.942 -1.503 0.000) 8.083 3.604 ( -0.035 4.441 0.000) 4.441 3.604 ( 0.035 4.441 0.000) 4.441 3.776 ( -3.229 -4.671 0.000) 5.679 3.776 ( 3.229 -4.671 0.000) 5.679 3.899 ( -1.287 -1.333 0.000) 1.853 3.899 ( 1.287 -1.333 0.000) 1.853 3.973 ( -0.069 -0.019 0.000) 0.071 3.973 ( 0.069 -0.019 0.000) 0.071 4.086 ( -2.541 4.054 0.000) 4.785 4.086 ( 2.541 4.054 0.000) 4.785 4.149 ( -4.214 0.954 0.000) 4.320 4.149 ( 4.214 0.954 0.000) 4.320 4.259 ( -0.608 -1.131 0.000) 1.284 4.259 ( 0.608 -1.131 0.000) 1.284 4.434 ( -5.232 2.957 0.000) 6.010 4.434 ( 5.232 2.957 0.000) 6.010 4.624 ( -6.795 -1.522 0.000) 6.964 4.624 ( 6.795 -1.522 0.000) 6.964 4.722 ( -0.718 3.330 0.000) 3.407 4.722 ( 0.718 3.330 0.000) 3.407 4.913 ( -8.746 -0.162 0.000) 8.748 4.913 ( 8.746 -0.162 0.000) 8.748 5.056 ( -3.384 -2.030 0.000) 3.946 5.056 ( 3.384 -2.030 0.000) 3.946 5.158 ( -4.089 -1.402 0.000) 4.323 5.158 ( 4.089 -1.402 0.000) 4.323 5.292 ( -3.695 -6.554 0.000) 7.524 5.292 ( 3.695 -6.554 0.000) 7.524 5.409 ( -2.443 1.459 0.000) 2.846 5.409 ( 2.443 1.459 0.000) 2.846 5.803 ( -6.446 -9.984 0.000) 11.884 5.803 ( 6.446 -9.984 0.000) 11.884 5.916 ( -1.428 3.614 0.000) 3.886 5.916 ( 1.428 3.614 0.000) 3.886 7.777 ( -0.386 9.782 0.000) 9.789 7.777 ( 0.386 9.782 0.000) 9.789 7.911 ( -1.374 14.801 0.000) 14.865 7.911 ( 1.374 14.801 0.000) 14.865 8.119 ( -3.150 9.616 0.000) 10.119 8.119 ( 3.150 9.616 0.000) 10.119 8.230 ( -0.890 1.571 0.000) 1.806 8.230 ( 0.890 1.571 0.000) 1.806 8.483 ( -2.138 4.061 0.000) 4.590 8.483 ( 2.138 4.061 0.000) 4.590 8.608 ( -1.756 -3.679 0.000) 4.077 8.608 ( 1.756 -3.679 0.000) 4.077 8.691 ( -2.918 -1.713 0.000) 3.384 8.691 ( 2.918 -1.713 0.000) 3.384 8.750 ( -1.857 -1.895 0.000) 2.653 8.750 ( 1.857 -1.895 0.000) 2.653 8.909 ( -6.989 -3.714 0.000) 7.915 8.909 ( 6.989 -3.714 0.000) 7.915 9.118 ( -3.346 -1.791 0.000) 3.795 9.118 ( 3.346 -1.791 0.000) 3.795 9.220 ( -0.604 -4.575 0.000) 4.614 9.220 ( 0.604 -4.575 0.000) 4.614 9.276 ( -2.540 -4.412 0.000) 5.091 9.276 ( 2.540 -4.412 0.000) 5.091 9.564 ( -1.899 3.953 0.000) 4.386 9.564 ( 1.899 3.953 0.000) 4.386 9.657 ( -0.886 3.299 0.000) 3.416 9.657 ( 0.886 3.299 0.000) 3.416 9.789 ( -0.176 0.363 0.000) 0.403 9.789 ( 0.176 0.363 0.000) 0.403 9.982 ( -2.208 -2.306 0.000) 3.193 9.982 ( 2.208 -2.306 0.000) 3.193 10.014 ( -0.456 4.077 0.000) 4.102 10.014 ( 0.456 4.077 0.000) 4.102 10.077 ( -3.719 -4.786 0.000) 6.061 10.077 ( 3.719 -4.786 0.000) 6.061 10.285 ( -1.059 -2.742 0.000) 2.940 10.285 ( 1.059 -2.742 0.000) 2.940 10.393 ( -7.379 1.180 0.000) 7.473 10.393 ( 7.379 1.180 0.000) 7.473 10.538 ( -2.793 1.423 0.000) 3.135 10.538 ( 2.793 1.423 0.000) 3.135 10.745 ( -10.047 3.470 0.000) 10.629 10.745 ( 10.047 3.470 0.000) 10.629 11.033 ( -2.780 -3.300 0.000) 4.316 11.033 ( 2.780 -3.300 0.000) 4.316 11.180 ( -10.758 5.914 0.000) 12.277 11.180 ( 10.758 5.914 0.000) 12.277 11.377 ( -5.202 -0.855 0.000) 5.272 11.377 ( 5.202 -0.855 0.000) 5.272 11.776 ( -2.225 -0.156 0.000) 2.230 11.776 ( 2.225 -0.156 0.000) 2.230 11.849 ( -3.003 -2.429 0.000) 3.863 11.849 ( 3.003 -2.429 0.000) 3.863 11.952 ( -4.014 -1.250 0.000) 4.204 11.952 ( 4.014 -1.250 0.000) 4.204 12.171 ( -2.999 2.398 0.000) 3.839 12.171 ( 2.999 2.398 0.000) 3.839 12.428 ( -3.774 -1.685 0.000) 4.133 12.428 ( 3.774 -1.685 0.000) 4.133 12.822 ( -5.417 3.856 0.000) 6.650 12.822 ( 5.417 3.856 0.000) 6.650 13.177 ( -9.167 -1.731 0.000) 9.329 13.177 ( 9.167 -1.731 0.000) 9.329 13.351 ( -7.628 1.946 0.000) 7.872 13.351 ( 7.628 1.946 0.000) 7.872 13.897 ( -9.680 0.059 0.000) 9.680 13.897 ( 9.680 0.059 0.000) 9.680 13.935 ( -9.883 -2.517 0.000) 10.198 13.935 ( 9.883 -2.517 0.000) 10.198 14.246 ( -4.718 -2.265 0.000) 5.234 14.246 ( 4.718 -2.265 0.000) 5.234 14.680 ( -0.838 -1.611 0.000) 1.816 14.680 ( 0.838 -1.611 0.000) 1.816 14.787 ( -2.283 1.648 0.000) 2.815 14.787 ( 2.283 1.648 0.000) 2.815 15.310 ( -0.537 0.711 0.000) 0.891 15.310 ( 0.537 0.711 0.000) 0.891 15.520 ( -1.073 5.115 0.000) 5.227 15.520 ( 1.073 5.115 0.000) 5.227 15.637 ( -2.009 1.483 0.000) 2.498 15.637 ( 2.009 1.483 0.000) 2.498 15.932 ( -4.680 0.140 0.000) 4.682 15.932 ( 4.680 0.140 0.000) 4.682 16.033 ( -2.977 -3.232 0.000) 4.394 16.033 ( 2.977 -3.232 0.000) 4.394 16.085 ( -0.716 4.100 0.000) 4.162 16.085 ( 0.716 4.100 0.000) 4.162 16.282 ( -6.019 -1.397 0.000) 6.179 16.282 ( 6.019 -1.397 0.000) 6.179 16.571 ( -3.271 -2.543 0.000) 4.143 16.571 ( 3.271 -2.543 0.000) 4.143 17.674 ( -3.582 -1.159 0.000) 3.765 17.674 ( 3.582 -1.159 0.000) 3.765 17.763 ( -9.286 -3.381 0.000) 9.882 17.763 ( 9.286 -3.381 0.000) 9.882 17.880 ( -3.816 -5.787 0.000) 6.932 17.880 ( 3.816 -5.787 0.000) 6.932 18.135 ( -3.284 -0.086 0.000) 3.285 18.135 ( 3.284 -0.086 0.000) 3.285 18.466 ( -6.999 0.853 0.000) 7.051 18.466 ( 6.999 0.853 0.000) 7.051 18.601 ( -3.767 -2.938 0.000) 4.777 18.601 ( 3.767 -2.938 0.000) 4.777 18.676 ( -4.519 -6.722 0.000) 8.100 18.676 ( 4.519 -6.722 0.000) 8.100 19.164 ( -1.188 -9.834 0.000) 9.906 19.164 ( 1.188 -9.834 0.000) 9.906 ======================= Grid point 15 (10/45) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.000 17.301 0.000) 17.301 1.403 ( 0.000 20.012 0.000) 20.012 1.871 ( 0.000 -8.141 0.000) 8.141 1.888 ( 0.000 6.461 0.000) 6.461 1.966 ( 0.000 4.167 0.000) 4.167 2.083 ( 0.000 -8.432 0.000) 8.432 2.110 ( 0.000 4.803 0.000) 4.803 2.225 ( 0.000 -2.719 0.000) 2.719 2.232 ( 0.000 3.022 0.000) 3.022 2.251 ( 0.000 5.820 0.000) 5.820 2.316 ( 0.000 4.507 0.000) 4.507 2.336 ( 0.000 11.278 0.000) 11.278 2.412 ( 0.000 13.183 0.000) 13.183 2.419 ( 0.000 2.417 0.000) 2.417 2.473 ( 0.000 14.240 0.000) 14.240 2.564 ( 0.000 -0.556 0.000) 0.556 2.730 ( 0.000 -11.182 0.000) 11.182 2.734 ( 0.000 -6.464 0.000) 6.464 2.778 ( 0.000 -8.192 0.000) 8.192 2.794 ( 0.000 0.155 0.000) 0.155 2.840 ( 0.000 -8.596 0.000) 8.596 2.855 ( 0.000 -6.447 0.000) 6.447 2.906 ( 0.000 -6.230 0.000) 6.230 2.912 ( 0.000 -1.845 0.000) 1.845 3.027 ( 0.000 5.821 0.000) 5.821 3.032 ( 0.000 -11.380 0.000) 11.380 3.048 ( 0.000 -10.894 0.000) 10.894 3.089 ( 0.000 -3.263 0.000) 3.263 3.095 ( 0.000 -6.575 0.000) 6.575 3.182 ( 0.000 -2.777 0.000) 2.777 3.255 ( 0.000 -0.013 0.000) 0.013 3.262 ( 0.000 -0.993 0.000) 0.993 3.276 ( 0.000 5.344 0.000) 5.344 3.386 ( 0.000 -0.509 0.000) 0.509 3.434 ( 0.000 0.094 0.000) 0.094 3.513 ( 0.000 0.274 0.000) 0.274 3.561 ( 0.000 -3.706 0.000) 3.706 3.572 ( 0.000 4.336 0.000) 4.336 3.686 ( 0.000 -4.270 0.000) 4.270 3.705 ( 0.000 -3.147 0.000) 3.147 3.788 ( 0.000 -3.274 0.000) 3.274 3.797 ( 0.000 -6.009 0.000) 6.009 3.820 ( 0.000 -7.577 0.000) 7.577 3.864 ( 0.000 -0.489 0.000) 0.489 3.980 ( 0.000 0.575 0.000) 0.575 3.994 ( 0.000 2.656 0.000) 2.656 3.997 ( 0.000 13.230 0.000) 13.230 4.113 ( 0.000 -0.076 0.000) 0.076 4.166 ( 0.000 -2.945 0.000) 2.945 4.246 ( 0.000 6.667 0.000) 6.667 4.265 ( 0.000 -4.768 0.000) 4.768 4.305 ( 0.000 3.861 0.000) 3.861 4.382 ( 0.000 9.417 0.000) 9.417 4.445 ( 0.000 -7.193 0.000) 7.193 4.713 ( 0.000 3.007 0.000) 3.007 4.730 ( 0.000 -5.644 0.000) 5.644 4.785 ( 0.000 6.779 0.000) 6.779 4.828 ( 0.000 8.446 0.000) 8.446 4.839 ( 0.000 -1.012 0.000) 1.012 4.984 ( 0.000 -0.606 0.000) 0.606 5.041 ( 0.000 -1.521 0.000) 1.521 5.073 ( 0.000 -9.156 0.000) 9.156 5.125 ( 0.000 -4.613 0.000) 4.613 5.140 ( 0.000 -6.586 0.000) 6.586 5.142 ( 0.000 3.667 0.000) 3.667 5.247 ( 0.000 6.125 0.000) 6.125 5.289 ( 0.000 -1.657 0.000) 1.657 5.382 ( 0.000 0.448 0.000) 0.448 5.502 ( 0.000 -1.921 0.000) 1.921 5.719 ( 0.000 -10.209 0.000) 10.209 5.948 ( 0.000 3.625 0.000) 3.625 5.983 ( 0.000 1.841 0.000) 1.841 7.966 ( 0.000 7.985 0.000) 7.985 8.000 ( 0.000 6.106 0.000) 6.106 8.097 ( 0.000 1.522 0.000) 1.522 8.135 ( 0.000 5.089 0.000) 5.089 8.268 ( 0.000 12.832 0.000) 12.832 8.293 ( 0.000 5.232 0.000) 5.232 8.322 ( 0.000 5.905 0.000) 5.905 8.356 ( 0.000 10.780 0.000) 10.780 8.474 ( 0.000 -3.106 0.000) 3.106 8.508 ( 0.000 -1.083 0.000) 1.083 8.525 ( 0.000 -4.985 0.000) 4.985 8.560 ( 0.000 -1.722 0.000) 1.722 8.607 ( 0.000 9.590 0.000) 9.590 8.657 ( 0.000 -0.730 0.000) 0.730 8.671 ( 0.000 3.179 0.000) 3.179 8.682 ( 0.000 -1.379 0.000) 1.379 8.846 ( 0.000 3.796 0.000) 3.796 8.871 ( 0.000 -6.194 0.000) 6.194 9.045 ( 0.000 -0.832 0.000) 0.832 9.099 ( 0.000 -5.390 0.000) 5.390 9.179 ( 0.000 -9.811 0.000) 9.811 9.180 ( 0.000 0.392 0.000) 0.392 9.209 ( 0.000 -10.300 0.000) 10.300 9.246 ( 0.000 -4.993 0.000) 4.993 9.594 ( 0.000 2.041 0.000) 2.041 9.676 ( 0.000 -2.051 0.000) 2.051 9.694 ( 0.000 -3.562 0.000) 3.562 9.721 ( 0.000 2.598 0.000) 2.598 9.741 ( 0.000 5.582 0.000) 5.582 9.831 ( 0.000 2.243 0.000) 2.243 9.926 ( 0.000 -1.730 0.000) 1.730 9.952 ( 0.000 0.604 0.000) 0.604 9.979 ( 0.000 -0.159 0.000) 0.159 10.060 ( 0.000 -5.149 0.000) 5.149 10.184 ( 0.000 -7.559 0.000) 7.559 10.194 ( 0.000 6.956 0.000) 6.956 10.201 ( 0.000 -6.833 0.000) 6.833 10.331 ( 0.000 9.300 0.000) 9.300 10.358 ( 0.000 2.175 0.000) 2.175 10.382 ( 0.000 0.938 0.000) 0.938 10.543 ( 0.000 2.864 0.000) 2.864 10.601 ( 0.000 8.851 0.000) 8.851 10.649 ( 0.000 -1.598 0.000) 1.598 10.912 ( 0.000 -9.505 0.000) 9.505 10.951 ( 0.000 -9.684 0.000) 9.684 10.988 ( 0.000 -1.665 0.000) 1.665 11.039 ( 0.000 0.517 0.000) 0.517 11.163 ( 0.000 -5.301 0.000) 5.301 11.254 ( 0.000 -1.665 0.000) 1.665 11.434 ( 0.000 -6.127 0.000) 6.127 11.480 ( 0.000 0.804 0.000) 0.804 11.544 ( 0.000 -1.374 0.000) 1.374 11.858 ( 0.000 3.024 0.000) 3.024 11.946 ( 0.000 -1.341 0.000) 1.341 11.962 ( 0.000 -0.950 0.000) 0.950 11.983 ( 0.000 -1.518 0.000) 1.518 12.081 ( 0.000 2.790 0.000) 2.790 12.178 ( 0.000 -1.724 0.000) 1.724 12.609 ( 0.000 1.739 0.000) 1.739 12.625 ( 0.000 1.804 0.000) 1.804 13.016 ( 0.000 5.274 0.000) 5.274 13.137 ( 0.000 4.923 0.000) 4.923 13.236 ( 0.000 -6.309 0.000) 6.309 13.287 ( 0.000 1.462 0.000) 1.462 13.394 ( 0.000 2.187 0.000) 2.187 13.625 ( 0.000 -6.064 0.000) 6.064 13.754 ( 0.000 0.289 0.000) 0.289 13.794 ( 0.000 -1.052 0.000) 1.052 13.956 ( 0.000 2.864 0.000) 2.864 14.036 ( 0.000 0.387 0.000) 0.387 14.262 ( 0.000 0.934 0.000) 0.934 14.309 ( 0.000 1.037 0.000) 1.037 14.366 ( 0.000 -1.796 0.000) 1.796 14.386 ( 0.000 -5.780 0.000) 5.780 14.944 ( 0.000 1.344 0.000) 1.344 15.006 ( 0.000 -1.001 0.000) 1.001 15.348 ( 0.000 0.756 0.000) 0.756 15.350 ( 0.000 0.447 0.000) 0.447 15.503 ( 0.000 4.715 0.000) 4.715 15.588 ( 0.000 2.362 0.000) 2.362 15.591 ( 0.000 5.212 0.000) 5.212 15.688 ( 0.000 2.012 0.000) 2.012 15.691 ( 0.000 3.219 0.000) 3.219 15.821 ( 0.000 -5.033 0.000) 5.033 15.872 ( 0.000 -2.426 0.000) 2.426 15.946 ( 0.000 -7.534 0.000) 7.534 16.188 ( 0.000 2.942 0.000) 2.942 16.192 ( 0.000 3.849 0.000) 3.849 16.272 ( 0.000 2.692 0.000) 2.692 16.384 ( 0.000 -4.160 0.000) 4.160 16.397 ( 0.000 7.852 0.000) 7.852 16.576 ( 0.000 -0.963 0.000) 0.963 17.510 ( 0.000 4.498 0.000) 4.498 17.609 ( 0.000 1.609 0.000) 1.609 17.634 ( 0.000 2.081 0.000) 2.081 17.734 ( 0.000 -2.837 0.000) 2.837 17.877 ( 0.000 -5.563 0.000) 5.563 17.882 ( 0.000 -3.408 0.000) 3.408 18.023 ( 0.000 2.108 0.000) 2.108 18.164 ( 0.000 -3.556 0.000) 3.556 18.405 ( 0.000 6.336 0.000) 6.336 18.476 ( 0.000 -0.664 0.000) 0.664 18.563 ( 0.000 0.688 0.000) 0.688 18.628 ( 0.000 -6.351 0.000) 6.351 18.633 ( 0.000 -2.536 0.000) 2.536 18.677 ( 0.000 3.399 0.000) 3.399 18.867 ( 0.000 -12.816 0.000) 12.816 18.986 ( 0.000 -10.180 0.000) 10.180 ======================= Grid point 16 (11/45) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 3.508 14.714 0.000) 15.126 1.544 ( 10.180 17.026 0.000) 19.837 1.719 ( -8.577 2.415 0.000) 8.911 1.973 ( -5.246 6.561 0.000) 8.401 2.023 ( 1.595 -0.830 0.000) 1.798 2.050 ( 7.083 6.436 0.000) 9.571 2.170 ( -0.034 0.953 0.000) 0.954 2.196 ( 6.832 3.839 0.000) 7.837 2.258 ( 4.352 -5.052 0.000) 6.668 2.276 ( 1.563 3.978 0.000) 4.274 2.358 ( 2.078 4.602 0.000) 5.049 2.384 ( 1.658 4.776 0.000) 5.055 2.439 ( 3.661 3.410 0.000) 5.003 2.506 ( 2.369 11.633 0.000) 11.872 2.554 ( 10.631 2.280 0.000) 10.873 2.580 ( -0.574 6.319 0.000) 6.345 2.690 ( -3.749 -4.321 0.000) 5.721 2.724 ( -2.364 -4.138 0.000) 4.765 2.753 ( -0.438 -4.007 0.000) 4.031 2.795 ( 0.569 -8.251 0.000) 8.271 2.818 ( -4.154 -5.263 0.000) 6.705 2.833 ( -5.625 -1.209 0.000) 5.754 2.882 ( 2.132 -5.497 0.000) 5.896 2.939 ( 1.300 -2.534 0.000) 2.848 2.969 ( -4.088 -8.746 0.000) 9.654 2.984 ( 1.762 -8.815 0.000) 8.990 3.012 ( -2.500 -7.504 0.000) 7.909 3.042 ( -0.837 -5.204 0.000) 5.271 3.129 ( -1.697 -6.398 0.000) 6.619 3.188 ( -3.354 -6.901 0.000) 7.673 3.260 ( 0.810 3.491 0.000) 3.584 3.306 ( 3.911 0.102 0.000) 3.912 3.366 ( 5.002 -1.044 0.000) 5.110 3.368 ( -6.578 -0.716 0.000) 6.616 3.438 ( 2.965 -0.731 0.000) 3.054 3.454 ( -1.713 -0.366 0.000) 1.752 3.498 ( -3.745 0.853 0.000) 3.841 3.560 ( 2.033 -1.806 0.000) 2.719 3.687 ( -2.574 -3.389 0.000) 4.256 3.753 ( -3.416 -5.049 0.000) 6.097 3.759 ( 5.442 -2.451 0.000) 5.969 3.762 ( 1.124 -3.167 0.000) 3.361 3.833 ( -1.945 6.364 0.000) 6.654 3.902 ( -3.051 9.427 0.000) 9.909 3.946 ( 4.155 3.645 0.000) 5.527 4.037 ( 3.218 1.527 0.000) 3.562 4.048 ( 3.550 0.575 0.000) 3.597 4.142 ( 3.279 -0.388 0.000) 3.302 4.198 ( -2.319 -4.895 0.000) 5.417 4.215 ( 0.799 1.282 0.000) 1.511 4.301 ( 1.479 0.509 0.000) 1.564 4.311 ( -2.136 3.646 0.000) 4.226 4.400 ( 2.108 8.426 0.000) 8.686 4.513 ( 3.791 -2.426 0.000) 4.501 4.530 ( -6.481 4.961 0.000) 8.161 4.665 ( -5.311 -5.048 0.000) 7.327 4.790 ( -0.019 4.590 0.000) 4.590 4.807 ( -1.816 -1.060 0.000) 2.103 4.882 ( 1.029 7.647 0.000) 7.716 4.975 ( -4.725 -4.861 0.000) 6.779 4.981 ( -1.699 -9.005 0.000) 9.164 5.063 ( 0.579 -4.368 0.000) 4.406 5.066 ( -4.557 -0.030 0.000) 4.557 5.123 ( -1.662 -9.322 0.000) 9.469 5.154 ( 1.656 1.865 0.000) 2.495 5.260 ( -2.017 -1.167 0.000) 2.330 5.360 ( 7.260 4.560 0.000) 8.573 5.427 ( 2.785 0.970 0.000) 2.949 5.551 ( 3.433 -3.442 0.000) 4.862 5.688 ( -2.830 -9.443 0.000) 9.858 5.960 ( 1.116 3.281 0.000) 3.466 5.988 ( 0.283 1.985 0.000) 2.005 7.952 ( -0.937 7.025 0.000) 7.087 7.972 ( -1.956 6.092 0.000) 6.399 8.119 ( 1.457 2.988 0.000) 3.324 8.144 ( 0.350 5.185 0.000) 5.197 8.265 ( 0.328 8.706 0.000) 8.713 8.308 ( 1.159 6.598 0.000) 6.699 8.338 ( 0.835 10.000 0.000) 10.035 8.347 ( -1.425 9.341 0.000) 9.449 8.480 ( 1.632 -2.469 0.000) 2.959 8.532 ( 1.858 -1.324 0.000) 2.282 8.566 ( 3.351 -5.066 0.000) 6.074 8.583 ( 1.942 2.066 0.000) 2.835 8.621 ( 1.235 3.439 0.000) 3.654 8.640 ( -1.221 2.580 0.000) 2.854 8.683 ( 1.539 0.917 0.000) 1.792 8.702 ( 0.237 -1.119 0.000) 1.144 8.839 ( -0.659 2.738 0.000) 2.817 8.892 ( 0.545 -6.455 0.000) 6.478 9.038 ( 0.092 -1.689 0.000) 1.692 9.065 ( -3.499 -4.662 0.000) 5.829 9.133 ( 1.029 -5.130 0.000) 5.232 9.171 ( -3.071 -4.365 0.000) 5.337 9.175 ( -3.121 -5.281 0.000) 6.134 9.236 ( -1.239 -7.947 0.000) 8.043 9.604 ( 0.598 1.327 0.000) 1.455 9.631 ( -2.554 1.493 0.000) 2.959 9.700 ( 0.402 -3.007 0.000) 3.033 9.735 ( -0.224 -3.692 0.000) 3.699 9.743 ( 0.868 6.387 0.000) 6.446 9.805 ( -2.174 1.953 0.000) 2.922 9.913 ( -0.640 -1.398 0.000) 1.538 9.949 ( -1.526 -1.209 0.000) 1.946 9.989 ( 1.536 -1.053 0.000) 1.862 10.024 ( -3.013 -5.549 0.000) 6.315 10.099 ( -3.936 -1.568 0.000) 4.237 10.214 ( 1.664 3.690 0.000) 4.048 10.229 ( 1.180 -4.210 0.000) 4.372 10.269 ( -3.993 7.600 0.000) 8.585 10.354 ( 0.552 2.789 0.000) 2.843 10.485 ( 6.165 -3.025 0.000) 6.867 10.545 ( -1.223 4.061 0.000) 4.241 10.565 ( -2.270 3.557 0.000) 4.220 10.612 ( -2.521 -1.647 0.000) 3.011 10.868 ( -5.905 -8.204 0.000) 10.108 10.958 ( 3.366 -2.130 0.000) 3.984 11.001 ( 0.286 0.702 0.000) 0.758 11.068 ( 8.385 3.877 0.000) 9.238 11.294 ( 2.362 -0.150 0.000) 2.367 11.301 ( 3.143 -4.720 0.000) 5.670 11.489 ( 9.362 -7.015 0.000) 11.698 11.601 ( 9.584 -0.372 0.000) 9.591 11.617 ( 3.881 -0.113 0.000) 3.883 11.813 ( -3.339 1.832 0.000) 3.809 11.886 ( -4.307 -1.849 0.000) 4.687 11.980 ( -1.336 -0.388 0.000) 1.391 11.981 ( -0.498 -0.711 0.000) 0.868 12.127 ( 4.298 2.338 0.000) 4.893 12.196 ( 1.634 -0.913 0.000) 1.872 12.493 ( -9.518 2.189 0.000) 9.766 12.547 ( -6.869 0.423 0.000) 6.882 12.978 ( -1.361 2.633 0.000) 2.964 13.025 ( -10.088 -0.588 0.000) 10.105 13.161 ( -7.956 5.661 0.000) 9.764 13.319 ( -6.107 -1.871 0.000) 6.387 13.330 ( -7.228 7.548 0.000) 10.451 13.449 ( 1.766 1.680 0.000) 2.437 13.700 ( 6.482 -3.956 0.000) 7.594 13.705 ( 1.705 -3.823 0.000) 4.186 14.037 ( -2.206 -0.390 0.000) 2.240 14.110 ( -6.874 -1.786 0.000) 7.102 14.216 ( -3.648 0.299 0.000) 3.660 14.235 ( -0.332 -2.123 0.000) 2.148 14.499 ( 10.938 -0.866 0.000) 10.972 14.529 ( 8.615 -2.067 0.000) 8.859 14.908 ( -7.037 0.534 0.000) 7.058 14.912 ( -4.045 0.212 0.000) 4.051 15.335 ( -0.832 0.856 0.000) 1.194 15.339 ( -0.832 0.488 0.000) 0.964 15.560 ( 4.129 1.615 0.000) 4.433 15.584 ( 1.567 3.242 0.000) 3.601 15.662 ( -1.732 2.981 0.000) 3.447 15.663 ( 0.960 4.185 0.000) 4.293 15.776 ( 8.652 -0.058 0.000) 8.652 15.904 ( 5.736 -4.260 0.000) 7.145 15.922 ( 2.839 -1.582 0.000) 3.250 15.948 ( 0.411 -5.458 0.000) 5.473 16.173 ( -1.990 2.066 0.000) 2.869 16.183 ( -1.115 2.860 0.000) 3.070 16.271 ( 0.672 3.708 0.000) 3.768 16.352 ( -2.541 -1.715 0.000) 3.066 16.453 ( 4.836 4.205 0.000) 6.409 16.576 ( -0.220 -1.074 0.000) 1.096 17.563 ( 4.639 1.878 0.000) 5.005 17.622 ( 1.194 0.896 0.000) 1.493 17.685 ( 4.331 -0.414 0.000) 4.351 17.713 ( -1.768 -1.774 0.000) 2.504 17.824 ( -4.675 -4.853 0.000) 6.739 17.852 ( -2.345 -3.787 0.000) 4.454 18.067 ( 3.202 1.063 0.000) 3.374 18.157 ( -0.781 -2.470 0.000) 2.590 18.429 ( 2.342 5.253 0.000) 5.751 18.489 ( 1.194 -1.050 0.000) 1.590 18.569 ( 0.725 -0.263 0.000) 0.771 18.595 ( -2.571 -4.439 0.000) 5.130 18.616 ( -4.675 2.009 0.000) 5.088 18.626 ( -1.033 -3.288 0.000) 3.447 18.908 ( 2.818 -10.483 0.000) 10.855 18.982 ( -0.535 -9.815 0.000) 9.829 ======================= Grid point 17 (12/45) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -7.557 9.022 0.000) 11.769 1.510 ( 7.557 9.022 0.000) 11.769 1.792 ( -9.591 15.466 0.000) 18.198 1.792 ( 9.591 15.466 0.000) 18.198 2.062 ( -2.305 -2.054 0.000) 3.088 2.062 ( 2.305 -2.054 0.000) 3.088 2.280 ( -0.926 1.376 0.000) 1.659 2.280 ( 0.926 1.376 0.000) 1.659 2.345 ( -2.866 1.900 0.000) 3.439 2.345 ( 2.866 1.900 0.000) 3.439 2.400 ( -11.882 6.532 0.000) 13.559 2.400 ( 11.882 6.532 0.000) 13.559 2.490 ( -9.909 5.226 0.000) 11.203 2.490 ( 9.909 5.226 0.000) 11.203 2.593 ( -8.763 -3.320 0.000) 9.371 2.593 ( 8.763 -3.320 0.000) 9.371 2.670 ( -6.016 3.268 0.000) 6.846 2.670 ( 6.016 3.268 0.000) 6.846 2.764 ( -2.467 -2.956 0.000) 3.850 2.764 ( 2.467 -2.956 0.000) 3.850 2.805 ( -0.702 -4.664 0.000) 4.716 2.805 ( 0.702 -4.664 0.000) 4.716 2.907 ( -0.310 -9.128 0.000) 9.133 2.907 ( 0.310 -9.128 0.000) 9.133 2.963 ( -6.658 -7.342 0.000) 9.911 2.963 ( 6.658 -7.342 0.000) 9.911 3.025 ( -4.433 -3.504 0.000) 5.650 3.025 ( 4.433 -3.504 0.000) 5.650 3.106 ( -5.184 -8.520 0.000) 9.973 3.106 ( 5.184 -8.520 0.000) 9.973 3.265 ( -1.400 0.703 0.000) 1.567 3.265 ( 1.400 0.703 0.000) 1.567 3.367 ( -2.741 0.006 0.000) 2.741 3.367 ( 2.741 0.006 0.000) 2.741 3.462 ( -0.227 -2.919 0.000) 2.927 3.462 ( 0.227 -2.919 0.000) 2.927 3.565 ( -5.314 -0.079 0.000) 5.314 3.565 ( 5.314 -0.079 0.000) 5.314 3.666 ( -3.811 -3.398 0.000) 5.106 3.666 ( 3.811 -3.398 0.000) 5.106 3.777 ( -3.205 5.617 0.000) 6.467 3.777 ( 3.205 5.617 0.000) 6.467 3.871 ( -0.409 1.272 0.000) 1.336 3.871 ( 0.409 1.272 0.000) 1.336 4.050 ( -2.907 4.602 0.000) 5.444 4.050 ( 2.907 4.602 0.000) 5.444 4.107 ( -5.509 1.947 0.000) 5.843 4.107 ( 5.509 1.947 0.000) 5.843 4.230 ( -2.514 0.005 0.000) 2.514 4.230 ( 2.514 0.005 0.000) 2.514 4.246 ( -1.498 3.896 0.000) 4.174 4.246 ( 1.498 3.896 0.000) 4.174 4.484 ( -6.086 1.324 0.000) 6.229 4.484 ( 6.086 1.324 0.000) 6.229 4.573 ( -3.579 -2.556 0.000) 4.398 4.573 ( 3.579 -2.556 0.000) 4.398 4.786 ( -0.082 2.385 0.000) 2.386 4.786 ( 0.082 2.385 0.000) 2.386 4.912 ( -1.484 -4.439 0.000) 4.680 4.912 ( 1.484 -4.439 0.000) 4.680 4.964 ( -2.964 -1.960 0.000) 3.554 4.964 ( 2.964 -1.960 0.000) 3.554 5.085 ( -1.447 -5.897 0.000) 6.072 5.085 ( 1.447 -5.897 0.000) 6.072 5.210 ( -2.901 -0.459 0.000) 2.937 5.210 ( 2.901 -0.459 0.000) 2.937 5.457 ( -1.098 2.044 0.000) 2.321 5.457 ( 1.098 2.044 0.000) 2.321 5.618 ( -3.204 -6.766 0.000) 7.486 5.618 ( 3.204 -6.766 0.000) 7.486 5.984 ( -0.789 2.540 0.000) 2.659 5.984 ( 0.789 2.540 0.000) 2.659 7.944 ( -0.441 6.267 0.000) 6.282 7.944 ( 0.441 6.267 0.000) 6.282 8.141 ( -0.587 4.826 0.000) 4.862 8.141 ( 0.587 4.826 0.000) 4.862 8.293 ( -2.125 6.132 0.000) 6.490 8.293 ( 2.125 6.132 0.000) 6.490 8.341 ( -0.620 10.480 0.000) 10.499 8.341 ( 0.620 10.480 0.000) 10.499 8.533 ( -2.270 -2.163 0.000) 3.135 8.533 ( 2.270 -2.163 0.000) 3.135 8.605 ( -0.301 4.600 0.000) 4.610 8.605 ( 0.301 4.600 0.000) 4.610 8.656 ( -0.344 -0.371 0.000) 0.506 8.656 ( 0.344 -0.371 0.000) 0.506 8.692 ( -0.239 -2.393 0.000) 2.404 8.692 ( 0.239 -2.393 0.000) 2.404 8.843 ( -2.390 -1.732 0.000) 2.952 8.843 ( 2.390 -1.732 0.000) 2.952 9.071 ( -1.289 -6.997 0.000) 7.115 9.071 ( 1.289 -6.997 0.000) 7.115 9.098 ( -1.757 -1.301 0.000) 2.186 9.098 ( 1.757 -1.301 0.000) 2.186 9.188 ( -2.930 -6.126 0.000) 6.790 9.188 ( 2.930 -6.126 0.000) 6.790 9.605 ( -0.065 1.120 0.000) 1.122 9.605 ( 0.065 1.120 0.000) 1.122 9.714 ( -1.051 -1.742 0.000) 2.034 9.714 ( 1.051 -1.742 0.000) 2.034 9.766 ( -1.161 2.280 0.000) 2.558 9.766 ( 1.161 2.280 0.000) 2.558 9.932 ( -2.137 -2.201 0.000) 3.068 9.932 ( 2.137 -2.201 0.000) 3.068 9.963 ( -1.325 -4.593 0.000) 4.781 9.963 ( 1.325 -4.593 0.000) 4.781 10.152 ( -5.785 5.697 0.000) 8.120 10.152 ( 5.785 5.697 0.000) 8.120 10.244 ( -0.547 -0.515 0.000) 0.751 10.244 ( 0.547 -0.515 0.000) 0.751 10.417 ( -5.612 2.246 0.000) 6.045 10.417 ( 5.612 2.246 0.000) 6.045 10.551 ( -0.979 -0.061 0.000) 0.981 10.551 ( 0.979 -0.061 0.000) 0.981 10.705 ( -9.032 -6.004 0.000) 10.845 10.705 ( 9.032 -6.004 0.000) 10.845 11.000 ( -0.493 0.218 0.000) 0.539 11.000 ( 0.493 0.218 0.000) 0.539 11.320 ( -0.245 0.589 0.000) 0.638 11.320 ( 0.245 0.589 0.000) 0.638 11.389 ( -17.214 6.813 0.000) 18.514 11.389 ( 17.214 6.813 0.000) 18.514 11.757 ( -7.873 -3.401 0.000) 8.576 11.757 ( 7.873 -3.401 0.000) 8.576 11.800 ( -6.051 -0.459 0.000) 6.068 11.800 ( 6.051 -0.459 0.000) 6.068 11.930 ( -2.578 -0.874 0.000) 2.722 11.930 ( 2.578 -0.874 0.000) 2.722 12.215 ( -2.210 1.735 0.000) 2.810 12.215 ( 2.210 1.735 0.000) 2.810 12.396 ( -3.979 -1.259 0.000) 4.174 12.396 ( 3.979 -1.259 0.000) 4.174 12.912 ( -0.853 4.586 0.000) 4.664 12.912 ( 0.853 4.586 0.000) 4.664 13.130 ( -8.040 -2.768 0.000) 8.503 13.130 ( 8.040 -2.768 0.000) 8.503 13.399 ( -4.847 2.403 0.000) 5.410 13.399 ( 4.847 2.403 0.000) 5.410 13.841 ( -0.840 -3.771 0.000) 3.864 13.841 ( 0.840 -3.771 0.000) 3.864 13.926 ( -1.032 0.343 0.000) 1.087 13.926 ( 1.032 0.343 0.000) 1.087 14.213 ( -1.591 -0.956 0.000) 1.856 14.213 ( 1.591 -0.956 0.000) 1.856 14.655 ( -0.948 -0.796 0.000) 1.238 14.655 ( 0.948 -0.796 0.000) 1.238 14.811 ( -1.593 0.648 0.000) 1.720 14.811 ( 1.593 0.648 0.000) 1.720 15.327 ( -0.137 0.760 0.000) 0.772 15.327 ( 0.137 0.760 0.000) 0.772 15.622 ( -1.340 4.265 0.000) 4.471 15.622 ( 1.340 4.265 0.000) 4.471 15.641 ( -2.289 -0.358 0.000) 2.317 15.641 ( 2.289 -0.358 0.000) 2.317 15.929 ( -3.306 0.022 0.000) 3.306 15.929 ( 3.306 0.022 0.000) 3.306 15.967 ( -0.862 -3.068 0.000) 3.187 15.967 ( 0.862 -3.068 0.000) 3.187 16.145 ( -1.265 1.368 0.000) 1.863 16.145 ( 1.265 1.368 0.000) 1.863 16.302 ( -1.989 2.507 0.000) 3.200 16.302 ( 1.989 2.507 0.000) 3.200 16.547 ( -2.989 -0.198 0.000) 2.996 16.547 ( 2.989 -0.198 0.000) 2.996 17.650 ( -0.190 -1.203 0.000) 1.218 17.650 ( 0.190 -1.203 0.000) 1.218 17.705 ( -4.495 -1.833 0.000) 4.855 17.705 ( 4.495 -1.833 0.000) 4.855 17.785 ( -4.107 -3.357 0.000) 5.304 17.785 ( 4.107 -3.357 0.000) 5.304 18.127 ( -2.146 -0.600 0.000) 2.228 18.127 ( 2.146 -0.600 0.000) 2.228 18.501 ( -3.523 1.564 0.000) 3.855 18.501 ( 3.523 1.564 0.000) 3.855 18.539 ( -1.447 -1.138 0.000) 1.841 18.539 ( 1.447 -1.138 0.000) 1.841 18.596 ( -1.574 -2.000 0.000) 2.545 18.596 ( 1.574 -2.000 0.000) 2.545 18.958 ( -1.778 -9.472 0.000) 9.637 18.958 ( 1.778 -9.472 0.000) 9.637 ======================= Grid point 20 (13/45) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.000 -10.926 0.000) 10.926 1.655 ( 0.000 10.926 0.000) 10.926 1.794 ( 0.000 -15.805 0.000) 15.805 1.794 ( 0.000 15.805 0.000) 15.805 1.994 ( 0.000 -2.665 0.000) 2.665 1.994 ( 0.000 2.665 0.000) 2.665 2.157 ( 0.000 -2.525 0.000) 2.525 2.157 ( 0.000 2.525 0.000) 2.525 2.366 ( 0.000 -5.204 0.000) 5.204 2.366 ( 0.000 5.204 0.000) 5.204 2.420 ( 0.000 -7.870 0.000) 7.870 2.420 ( 0.000 7.870 0.000) 7.870 2.516 ( 0.000 -7.028 0.000) 7.028 2.516 ( 0.000 7.028 0.000) 7.028 2.555 ( 0.000 -5.278 0.000) 5.278 2.555 ( 0.000 5.278 0.000) 5.278 2.637 ( 0.000 -10.093 0.000) 10.093 2.637 ( 0.000 10.093 0.000) 10.093 2.671 ( 0.000 -2.355 0.000) 2.355 2.671 ( 0.000 2.355 0.000) 2.355 2.858 ( 0.000 -5.514 0.000) 5.514 2.858 ( 0.000 5.514 0.000) 5.514 2.893 ( 0.000 -6.002 0.000) 6.002 2.893 ( 0.000 6.002 0.000) 6.002 2.921 ( 0.000 -5.257 0.000) 5.257 2.921 ( 0.000 5.257 0.000) 5.257 2.932 ( 0.000 -8.199 0.000) 8.199 2.932 ( 0.000 8.199 0.000) 8.199 3.131 ( 0.000 -3.258 0.000) 3.258 3.131 ( 0.000 3.258 0.000) 3.258 3.261 ( 0.000 -0.001 0.000) 0.001 3.261 ( 0.000 0.001 0.000) 0.001 3.402 ( 0.000 -2.367 0.000) 2.367 3.402 ( 0.000 2.367 0.000) 2.367 3.404 ( 0.000 -6.768 0.000) 6.768 3.404 ( 0.000 6.768 0.000) 6.768 3.642 ( 0.000 -6.381 0.000) 6.381 3.642 ( 0.000 6.381 0.000) 6.381 3.657 ( 0.000 -1.464 0.000) 1.464 3.657 ( 0.000 1.464 0.000) 1.464 3.714 ( 0.000 -6.867 0.000) 6.867 3.714 ( 0.000 6.867 0.000) 6.867 3.739 ( 0.000 -0.673 0.000) 0.673 3.739 ( 0.000 0.673 0.000) 0.673 4.056 ( 0.000 -3.416 0.000) 3.416 4.056 ( 0.000 3.416 0.000) 3.416 4.132 ( 0.000 -5.919 0.000) 5.919 4.132 ( 0.000 5.919 0.000) 5.919 4.186 ( 0.000 -2.905 0.000) 2.905 4.186 ( 0.000 2.905 0.000) 2.905 4.337 ( 0.000 -1.063 0.000) 1.063 4.337 ( 0.000 1.063 0.000) 1.063 4.454 ( 0.000 -8.191 0.000) 8.191 4.454 ( 0.000 8.191 0.000) 8.191 4.622 ( 0.000 -1.924 0.000) 1.924 4.622 ( 0.000 1.924 0.000) 1.924 4.914 ( 0.000 -5.397 0.000) 5.397 4.914 ( 0.000 5.397 0.000) 5.397 4.927 ( 0.000 -7.102 0.000) 7.102 4.927 ( 0.000 7.102 0.000) 7.102 4.972 ( 0.000 -5.340 0.000) 5.340 4.972 ( 0.000 5.340 0.000) 5.340 5.064 ( 0.000 -6.051 0.000) 6.051 5.064 ( 0.000 6.051 0.000) 6.051 5.229 ( 0.000 -4.015 0.000) 4.015 5.229 ( 0.000 4.015 0.000) 4.015 5.350 ( 0.000 -3.514 0.000) 3.514 5.350 ( 0.000 3.514 0.000) 3.514 5.550 ( 0.000 -6.174 0.000) 6.174 5.550 ( 0.000 6.174 0.000) 6.174 5.995 ( 0.000 -0.834 0.000) 0.834 5.995 ( 0.000 0.834 0.000) 0.834 8.082 ( 0.000 -2.389 0.000) 2.389 8.082 ( 0.000 2.389 0.000) 2.389 8.109 ( 0.000 -5.224 0.000) 5.224 8.109 ( 0.000 5.224 0.000) 5.224 8.362 ( 0.000 -1.192 0.000) 1.192 8.362 ( 0.000 1.192 0.000) 1.192 8.453 ( 0.000 -1.480 0.000) 1.480 8.453 ( 0.000 1.480 0.000) 1.480 8.469 ( 0.000 -2.816 0.000) 2.816 8.469 ( 0.000 2.816 0.000) 2.816 8.500 ( 0.000 -3.371 0.000) 3.371 8.500 ( 0.000 3.371 0.000) 3.371 8.688 ( 0.000 -0.017 0.000) 0.017 8.688 ( 0.000 0.017 0.000) 0.017 8.757 ( 0.000 -0.582 0.000) 0.582 8.757 ( 0.000 0.582 0.000) 0.582 8.884 ( 0.000 -6.820 0.000) 6.820 8.884 ( 0.000 6.820 0.000) 6.820 9.008 ( 0.000 -0.533 0.000) 0.533 9.008 ( 0.000 0.533 0.000) 0.533 9.013 ( 0.000 -2.040 0.000) 2.040 9.013 ( 0.000 2.040 0.000) 2.040 9.187 ( 0.000 -0.800 0.000) 0.800 9.187 ( 0.000 0.800 0.000) 0.800 9.631 ( 0.000 -1.913 0.000) 1.913 9.631 ( 0.000 1.913 0.000) 1.913 9.684 ( 0.000 -1.514 0.000) 1.514 9.684 ( 0.000 1.514 0.000) 1.514 9.886 ( 0.000 -2.701 0.000) 2.701 9.886 ( 0.000 2.701 0.000) 2.701 9.920 ( 0.000 -6.301 0.000) 6.301 9.920 ( 0.000 6.301 0.000) 6.301 9.988 ( 0.000 -1.543 0.000) 1.543 9.988 ( 0.000 1.543 0.000) 1.543 10.099 ( 0.000 -1.667 0.000) 1.667 10.099 ( 0.000 1.667 0.000) 1.667 10.324 ( 0.000 -5.338 0.000) 5.338 10.324 ( 0.000 5.338 0.000) 5.338 10.403 ( 0.000 -1.272 0.000) 1.272 10.403 ( 0.000 1.272 0.000) 1.272 10.661 ( 0.000 -5.675 0.000) 5.675 10.661 ( 0.000 5.675 0.000) 5.675 10.726 ( 0.000 -8.158 0.000) 8.158 10.726 ( 0.000 8.158 0.000) 8.158 10.881 ( 0.000 -5.435 0.000) 5.435 10.881 ( 0.000 5.435 0.000) 5.435 11.074 ( 0.000 -3.124 0.000) 3.124 11.074 ( 0.000 3.124 0.000) 3.124 11.310 ( 0.000 -5.498 0.000) 5.498 11.310 ( 0.000 5.498 0.000) 5.498 11.510 ( 0.000 -1.820 0.000) 1.820 11.510 ( 0.000 1.820 0.000) 1.820 11.910 ( 0.000 -2.132 0.000) 2.132 11.910 ( 0.000 2.132 0.000) 2.132 11.958 ( 0.000 -0.645 0.000) 0.645 11.958 ( 0.000 0.645 0.000) 0.645 12.135 ( 0.000 -2.443 0.000) 2.443 12.135 ( 0.000 2.443 0.000) 2.443 12.636 ( 0.000 -0.618 0.000) 0.618 12.636 ( 0.000 0.618 0.000) 0.618 13.120 ( 0.000 -5.147 0.000) 5.147 13.120 ( 0.000 5.147 0.000) 5.147 13.239 ( 0.000 -4.597 0.000) 4.597 13.239 ( 0.000 4.597 0.000) 4.597 13.493 ( 0.000 -6.358 0.000) 6.358 13.493 ( 0.000 6.358 0.000) 6.358 13.774 ( 0.000 -1.137 0.000) 1.137 13.774 ( 0.000 1.137 0.000) 1.137 14.012 ( 0.000 -2.392 0.000) 2.392 14.012 ( 0.000 2.392 0.000) 2.392 14.299 ( 0.000 -2.817 0.000) 2.817 14.299 ( 0.000 2.817 0.000) 2.817 14.333 ( 0.000 -1.394 0.000) 1.394 14.333 ( 0.000 1.394 0.000) 1.394 14.976 ( 0.000 -1.699 0.000) 1.699 14.976 ( 0.000 1.699 0.000) 1.699 15.356 ( 0.000 -0.027 0.000) 0.027 15.356 ( 0.000 0.027 0.000) 0.027 15.586 ( 0.000 -2.679 0.000) 2.679 15.586 ( 0.000 2.679 0.000) 2.679 15.706 ( 0.000 -5.848 0.000) 5.848 15.706 ( 0.000 5.848 0.000) 5.848 15.723 ( 0.000 -0.581 0.000) 0.581 15.723 ( 0.000 0.581 0.000) 0.581 15.848 ( 0.000 -1.375 0.000) 1.375 15.848 ( 0.000 1.375 0.000) 1.375 16.226 ( 0.000 -0.374 0.000) 0.374 16.226 ( 0.000 0.374 0.000) 0.374 16.323 ( 0.000 -2.395 0.000) 2.395 16.323 ( 0.000 2.395 0.000) 2.395 16.524 ( 0.000 -4.334 0.000) 4.334 16.524 ( 0.000 4.334 0.000) 4.334 17.600 ( 0.000 -3.283 0.000) 3.283 17.600 ( 0.000 3.283 0.000) 3.283 17.680 ( 0.000 -2.448 0.000) 2.448 17.680 ( 0.000 2.448 0.000) 2.448 17.824 ( 0.000 -1.134 0.000) 1.134 17.824 ( 0.000 1.134 0.000) 1.134 18.084 ( 0.000 -3.770 0.000) 3.770 18.084 ( 0.000 3.770 0.000) 3.770 18.482 ( 0.000 -0.670 0.000) 0.670 18.482 ( 0.000 0.670 0.000) 0.670 18.588 ( 0.000 -1.760 0.000) 1.760 18.588 ( 0.000 1.760 0.000) 1.760 18.633 ( 0.000 -8.688 0.000) 8.688 18.633 ( 0.000 8.688 0.000) 8.688 18.796 ( 0.000 -7.953 0.000) 7.953 18.796 ( 0.000 7.953 0.000) 7.953 ======================= Grid point 22 (14/45) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -1.485 -7.810 0.000) 7.950 1.629 ( -1.485 7.810 0.000) 7.950 1.891 ( 7.585 -12.916 0.000) 14.979 1.891 ( 7.585 12.916 0.000) 14.979 2.051 ( -0.019 -2.164 0.000) 2.164 2.051 ( -0.019 2.164 0.000) 2.164 2.196 ( 6.823 -1.732 0.000) 7.040 2.196 ( 6.823 1.732 0.000) 7.040 2.334 ( -1.753 -8.307 0.000) 8.490 2.334 ( -1.753 8.307 0.000) 8.490 2.447 ( 2.810 -4.745 0.000) 5.515 2.447 ( 2.810 4.745 0.000) 5.515 2.530 ( 2.141 -5.644 0.000) 6.037 2.530 ( 2.141 5.644 0.000) 6.037 2.598 ( -1.285 -3.332 0.000) 3.571 2.598 ( -1.285 3.332 0.000) 3.571 2.621 ( 2.431 -5.529 0.000) 6.039 2.621 ( 2.431 5.529 0.000) 6.039 2.730 ( 3.663 -3.566 0.000) 5.112 2.730 ( 3.663 3.566 0.000) 5.112 2.808 ( -2.871 -0.017 0.000) 2.871 2.808 ( -2.871 0.017 0.000) 2.871 2.850 ( -4.123 -1.763 0.000) 4.484 2.850 ( -4.123 1.763 0.000) 4.484 2.906 ( -2.607 -8.633 0.000) 9.018 2.906 ( -2.607 8.633 0.000) 9.018 2.943 ( 0.663 -7.068 0.000) 7.099 2.943 ( 0.663 7.068 0.000) 7.099 3.062 ( -4.521 -4.724 0.000) 6.539 3.062 ( -4.521 4.724 0.000) 6.539 3.324 ( 2.979 -0.018 0.000) 2.979 3.324 ( 2.979 0.018 0.000) 2.979 3.346 ( -1.733 -0.101 0.000) 1.736 3.346 ( -1.733 0.101 0.000) 1.736 3.436 ( -0.662 -0.299 0.000) 0.726 3.436 ( -0.662 0.299 0.000) 0.726 3.531 ( -2.293 -0.921 0.000) 2.472 3.531 ( -2.293 0.921 0.000) 2.472 3.669 ( -1.381 -0.904 0.000) 1.650 3.669 ( -1.381 0.904 0.000) 1.650 3.726 ( 5.353 -0.025 0.000) 5.354 3.726 ( 5.353 0.025 0.000) 5.354 3.932 ( 6.161 -0.466 0.000) 6.179 3.932 ( 6.161 0.466 0.000) 6.179 4.037 ( -1.361 -0.322 0.000) 1.398 4.037 ( -1.361 0.322 0.000) 1.398 4.108 ( 1.308 -4.205 0.000) 4.404 4.108 ( 1.308 4.205 0.000) 4.404 4.197 ( 3.410 -2.061 0.000) 3.984 4.197 ( 3.410 2.061 0.000) 3.984 4.363 ( -3.945 -1.504 0.000) 4.222 4.363 ( -3.945 1.504 0.000) 4.222 4.490 ( 4.878 -0.987 0.000) 4.977 4.490 ( 4.878 0.987 0.000) 4.977 4.574 ( -4.183 -2.004 0.000) 4.638 4.574 ( -4.183 2.004 0.000) 4.638 4.842 ( -5.460 -3.883 0.000) 6.700 4.842 ( -5.460 3.883 0.000) 6.700 4.859 ( -3.818 -0.156 0.000) 3.821 4.859 ( -3.818 0.156 0.000) 3.821 4.979 ( 1.582 -0.373 0.000) 1.625 4.979 ( 1.582 0.373 0.000) 1.625 5.041 ( -2.681 -2.665 0.000) 3.780 5.041 ( -2.681 2.665 0.000) 3.780 5.217 ( -0.564 -2.702 0.000) 2.760 5.217 ( -0.564 2.702 0.000) 2.760 5.429 ( 4.380 -0.423 0.000) 4.400 5.429 ( 4.380 0.423 0.000) 4.400 5.547 ( -0.001 -3.617 0.000) 3.617 5.547 ( -0.001 3.617 0.000) 3.617 6.002 ( 0.599 -0.518 0.000) 0.791 6.002 ( 0.599 0.518 0.000) 0.791 8.037 ( -2.130 -0.119 0.000) 2.134 8.037 ( -2.130 0.119 0.000) 2.134 8.151 ( 1.930 -1.589 0.000) 2.500 8.151 ( 1.930 1.589 0.000) 2.500 8.376 ( 0.342 -2.433 0.000) 2.457 8.376 ( 0.342 2.433 0.000) 2.457 8.441 ( 1.120 -5.597 0.000) 5.708 8.441 ( 1.120 5.597 0.000) 5.708 8.512 ( 3.058 -0.179 0.000) 3.063 8.512 ( 3.058 0.179 0.000) 3.063 8.529 ( 1.562 -5.883 0.000) 6.087 8.529 ( 1.562 5.883 0.000) 6.087 8.666 ( -2.465 -2.748 0.000) 3.692 8.666 ( -2.465 2.748 0.000) 3.692 8.748 ( 0.930 -2.573 0.000) 2.736 8.748 ( 0.930 2.573 0.000) 2.736 8.893 ( -1.821 -1.704 0.000) 2.494 8.893 ( -1.821 1.704 0.000) 2.494 8.999 ( 0.649 -0.332 0.000) 0.729 8.999 ( 0.649 0.332 0.000) 0.729 9.021 ( 0.709 -0.540 0.000) 0.891 9.021 ( 0.709 0.540 0.000) 0.891 9.141 ( -3.518 -0.017 0.000) 3.518 9.141 ( -3.518 0.017 0.000) 3.518 9.628 ( -0.441 -0.506 0.000) 0.672 9.628 ( -0.441 0.506 0.000) 0.672 9.680 ( -0.318 -0.718 0.000) 0.786 9.680 ( -0.318 0.718 0.000) 0.786 9.854 ( -2.430 -0.182 0.000) 2.437 9.854 ( -2.430 0.182 0.000) 2.437 9.909 ( -0.272 -2.789 0.000) 2.802 9.909 ( -0.272 2.789 0.000) 2.802 9.941 ( -3.502 -1.285 0.000) 3.730 9.941 ( -3.502 1.285 0.000) 3.730 10.138 ( 3.430 -3.977 0.000) 5.252 10.138 ( 3.430 3.977 0.000) 5.252 10.297 ( -2.033 -2.997 0.000) 3.622 10.297 ( -2.033 2.997 0.000) 3.622 10.425 ( 2.378 -1.857 0.000) 3.017 10.425 ( 2.378 1.857 0.000) 3.017 10.597 ( -4.405 -0.089 0.000) 4.406 10.597 ( -4.405 0.089 0.000) 4.406 10.682 ( -4.265 -7.533 0.000) 8.656 10.682 ( -4.265 7.533 0.000) 8.656 10.977 ( 4.283 -0.512 0.000) 4.314 10.977 ( 4.283 0.512 0.000) 4.314 11.181 ( 10.051 -6.243 0.000) 11.832 11.181 ( 10.051 6.243 0.000) 11.832 11.352 ( 4.800 -4.695 0.000) 6.714 11.352 ( 4.800 4.695 0.000) 6.714 11.607 ( 7.880 -0.147 0.000) 7.881 11.607 ( 7.880 0.147 0.000) 7.881 11.848 ( -4.886 -0.236 0.000) 4.892 11.848 ( -4.886 0.236 0.000) 4.892 11.974 ( -0.380 -0.000 0.000) 0.380 11.974 ( -0.380 0.000 0.000) 0.380 12.169 ( 3.153 -0.572 0.000) 3.204 12.169 ( 3.153 0.572 0.000) 3.204 12.534 ( -8.871 -0.592 0.000) 8.891 12.534 ( -8.871 0.592 0.000) 8.891 13.010 ( -5.215 -0.396 0.000) 5.230 13.010 ( -5.215 0.396 0.000) 5.230 13.258 ( -5.677 -2.372 0.000) 6.153 13.258 ( -5.677 2.372 0.000) 6.153 13.456 ( -7.315 -2.090 0.000) 7.608 13.456 ( -7.315 2.090 0.000) 7.608 13.646 ( 6.028 -0.000 0.000) 6.028 13.646 ( 6.028 0.000 0.000) 6.028 14.058 ( -3.517 -0.313 0.000) 3.531 14.058 ( -3.517 0.313 0.000) 3.531 14.220 ( -2.766 -0.005 0.000) 2.766 14.220 ( -2.766 0.005 0.000) 2.766 14.500 ( 10.234 -0.266 0.000) 10.238 14.500 ( 10.234 0.266 0.000) 10.238 14.913 ( -5.322 -0.006 0.000) 5.322 14.913 ( -5.322 0.006 0.000) 5.322 15.344 ( -0.767 -0.031 0.000) 0.767 15.344 ( -0.767 0.031 0.000) 0.767 15.602 ( 1.483 -1.394 0.000) 2.035 15.602 ( 1.483 1.394 0.000) 2.035 15.707 ( -1.276 -0.264 0.000) 1.303 15.707 ( -1.276 0.264 0.000) 1.303 15.809 ( 7.498 -3.881 0.000) 8.443 15.809 ( 7.498 3.881 0.000) 8.443 15.896 ( 3.403 -0.032 0.000) 3.403 15.896 ( 3.403 0.032 0.000) 3.403 16.202 ( -2.338 -0.041 0.000) 2.339 16.202 ( -2.338 0.041 0.000) 2.339 16.327 ( 0.444 -0.408 0.000) 0.603 16.327 ( 0.444 0.408 0.000) 0.603 16.534 ( 0.889 -3.069 0.000) 3.195 16.534 ( 0.889 3.069 0.000) 3.195 17.613 ( 1.158 -2.226 0.000) 2.510 17.613 ( 1.158 2.226 0.000) 2.510 17.687 ( 0.451 -0.145 0.000) 0.474 17.687 ( 0.451 0.145 0.000) 0.474 17.787 ( -2.758 -0.643 0.000) 2.832 17.787 ( -2.758 0.643 0.000) 2.832 18.103 ( 1.285 -1.972 0.000) 2.354 18.103 ( 1.285 1.972 0.000) 2.354 18.486 ( 0.421 -0.458 0.000) 0.622 18.486 ( 0.421 0.458 0.000) 0.622 18.579 ( -0.774 -0.405 0.000) 0.873 18.579 ( -0.774 0.405 0.000) 0.873 18.604 ( -1.914 -4.301 0.000) 4.708 18.604 ( -1.914 4.301 0.000) 4.708 18.819 ( 1.502 -4.072 0.000) 4.340 18.819 ( 1.502 4.072 0.000) 4.340 ======================= Grid point 24 (15/45) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 0.000 0.000 0.000) 0.000 1.613 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 -0.000 0.000) 0.000 2.005 ( -0.000 0.000 0.000) 0.000 2.031 ( 0.000 0.000 0.000) 0.000 2.031 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.445 ( -0.000 -0.000 0.000) 0.000 2.445 ( -0.000 0.000 0.000) 0.000 2.456 ( 0.000 -0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.560 ( -0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 -0.000 0.000) 0.000 2.689 ( 0.000 -0.000 0.000) 0.000 2.701 ( -0.000 -0.000 0.000) 0.000 2.701 ( 0.000 -0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.859 ( 0.000 0.000 0.000) 0.000 2.859 ( -0.000 0.000 0.000) 0.000 2.867 ( 0.000 -0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.874 ( -0.000 -0.000 0.000) 0.000 2.874 ( -0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.385 ( -0.000 -0.000 0.000) 0.000 3.385 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.926 ( 0.000 0.000 0.000) 0.000 3.926 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.242 ( -0.000 -0.000 0.000) 0.000 4.242 ( -0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.501 ( -0.000 -0.000 0.000) 0.000 4.501 ( -0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 4.783 ( -0.000 0.000 0.000) 0.000 4.817 ( 0.000 0.000 0.000) 0.000 4.817 ( 0.000 0.000 0.000) 0.000 4.986 ( -0.000 0.000 0.000) 0.000 4.986 ( -0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 8.013 ( 0.000 0.000 0.000) 0.000 8.013 ( 0.000 0.000 0.000) 0.000 8.173 ( 0.000 0.000 0.000) 0.000 8.173 ( 0.000 0.000 0.000) 0.000 8.372 ( -0.000 -0.000 0.000) 0.000 8.372 ( 0.000 -0.000 0.000) 0.000 8.482 ( 0.000 0.000 0.000) 0.000 8.482 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.566 ( 0.000 -0.000 0.000) 0.000 8.566 ( 0.000 0.000 0.000) 0.000 8.619 ( 0.000 0.000 0.000) 0.000 8.619 ( 0.000 0.000 0.000) 0.000 8.806 ( -0.000 -0.000 0.000) 0.000 8.806 ( 0.000 -0.000 0.000) 0.000 8.815 ( -0.000 0.000 0.000) 0.000 8.815 ( 0.000 0.000 0.000) 0.000 9.013 ( 0.000 -0.000 0.000) 0.000 9.013 ( 0.000 -0.000 0.000) 0.000 9.033 ( 0.000 0.000 0.000) 0.000 9.033 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 9.675 ( 0.000 0.000 0.000) 0.000 9.675 ( 0.000 0.000 0.000) 0.000 9.827 ( 0.000 0.000 0.000) 0.000 9.827 ( 0.000 0.000 0.000) 0.000 9.892 ( 0.000 -0.000 0.000) 0.000 9.892 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 -0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 10.192 ( 0.000 0.000 0.000) 0.000 10.192 ( 0.000 0.000 0.000) 0.000 10.263 ( 0.000 0.000 0.000) 0.000 10.263 ( 0.000 0.000 0.000) 0.000 10.477 ( 0.000 0.000 0.000) 0.000 10.477 ( 0.000 0.000 0.000) 0.000 10.557 ( 0.000 -0.000 0.000) 0.000 10.557 ( 0.000 0.000 0.000) 0.000 10.589 ( -0.000 -0.000 0.000) 0.000 10.589 ( -0.000 0.000 0.000) 0.000 11.010 ( 0.000 0.000 0.000) 0.000 11.010 ( 0.000 0.000 0.000) 0.000 11.304 ( 0.000 0.000 0.000) 0.000 11.304 ( 0.000 0.000 0.000) 0.000 11.499 ( 0.000 0.000 0.000) 0.000 11.499 ( 0.000 0.000 0.000) 0.000 11.693 ( -0.000 -0.000 0.000) 0.000 11.693 ( -0.000 0.000 0.000) 0.000 11.804 ( -0.000 0.000 0.000) 0.000 11.804 ( -0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 12.234 ( -0.000 0.000 0.000) 0.000 12.234 ( 0.000 0.000 0.000) 0.000 12.382 ( 0.000 0.000 0.000) 0.000 12.382 ( 0.000 0.000 0.000) 0.000 12.976 ( -0.000 0.000 0.000) 0.000 12.976 ( 0.000 0.000 0.000) 0.000 13.086 ( 0.000 -0.000 0.000) 0.000 13.086 ( 0.000 0.000 0.000) 0.000 13.429 ( -0.000 0.000 0.000) 0.000 13.429 ( 0.000 0.000 0.000) 0.000 13.795 ( -0.000 0.000 0.000) 0.000 13.795 ( -0.000 0.000 0.000) 0.000 13.929 ( 0.000 0.000 0.000) 0.000 13.929 ( 0.000 0.000 0.000) 0.000 14.204 ( 0.000 0.000 0.000) 0.000 14.204 ( 0.000 0.000 0.000) 0.000 14.647 ( 0.000 0.000 0.000) 0.000 14.647 ( 0.000 0.000 0.000) 0.000 14.816 ( -0.000 0.000 0.000) 0.000 14.816 ( 0.000 0.000 0.000) 0.000 15.335 ( 0.000 0.000 0.000) 0.000 15.335 ( 0.000 0.000 0.000) 0.000 15.630 ( 0.000 0.000 0.000) 0.000 15.630 ( 0.000 0.000 0.000) 0.000 15.681 ( 0.000 0.000 0.000) 0.000 15.681 ( 0.000 0.000 0.000) 0.000 15.917 ( 0.000 0.000 0.000) 0.000 15.917 ( 0.000 0.000 0.000) 0.000 15.939 ( 0.000 0.000 0.000) 0.000 15.939 ( 0.000 0.000 0.000) 0.000 16.158 ( 0.000 0.000 0.000) 0.000 16.158 ( 0.000 0.000 0.000) 0.000 16.334 ( 0.000 0.000 0.000) 0.000 16.334 ( 0.000 0.000 0.000) 0.000 16.548 ( 0.000 0.000 0.000) 0.000 16.548 ( 0.000 0.000 0.000) 0.000 17.634 ( 0.000 0.000 0.000) 0.000 17.634 ( 0.000 0.000 0.000) 0.000 17.690 ( 0.000 0.000 0.000) 0.000 17.690 ( 0.000 0.000 0.000) 0.000 17.749 ( 0.000 0.000 0.000) 0.000 17.749 ( 0.000 0.000 0.000) 0.000 18.119 ( 0.000 0.000 0.000) 0.000 18.119 ( 0.000 0.000 0.000) 0.000 18.495 ( -0.000 0.000 0.000) 0.000 18.495 ( -0.000 0.000 0.000) 0.000 18.563 ( 0.000 0.000 0.000) 0.000 18.563 ( 0.000 0.000 0.000) 0.000 18.584 ( 0.000 0.000 0.000) 0.000 18.584 ( 0.000 0.000 0.000) 0.000 18.838 ( 0.000 0.000 0.000) 0.000 18.838 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 0.000 0.000 23.207) 23.207 0.509 ( 0.000 0.000 24.390) 24.390 1.062 ( 0.000 0.000 48.802) 48.802 1.399 ( 0.000 0.000 -17.668) 17.668 1.553 ( 0.000 0.000 -24.615) 24.615 1.915 ( 0.000 0.000 14.101) 14.101 2.031 ( 0.000 0.000 3.633) 3.633 2.132 ( 0.000 0.000 0.713) 0.713 2.139 ( 0.000 0.000 3.369) 3.369 2.224 ( 0.000 0.000 -1.654) 1.654 2.323 ( 0.000 0.000 -8.589) 8.589 2.434 ( 0.000 0.000 -9.927) 9.927 2.489 ( 0.000 0.000 15.501) 15.501 2.520 ( 0.000 0.000 11.164) 11.164 2.590 ( 0.000 0.000 -13.400) 13.400 2.640 ( 0.000 0.000 4.647) 4.647 2.714 ( 0.000 0.000 8.152) 8.152 2.746 ( 0.000 0.000 -16.164) 16.164 2.779 ( 0.000 0.000 0.622) 0.622 2.864 ( 0.000 0.000 -11.688) 11.688 2.887 ( 0.000 0.000 6.247) 6.247 2.963 ( 0.000 0.000 6.750) 6.750 2.993 ( 0.000 0.000 -1.761) 1.761 3.001 ( 0.000 0.000 -6.187) 6.187 3.162 ( 0.000 0.000 -3.404) 3.404 3.194 ( 0.000 0.000 6.647) 6.647 3.240 ( 0.000 0.000 3.574) 3.574 3.271 ( 0.000 0.000 -4.013) 4.013 3.279 ( 0.000 0.000 0.918) 0.918 3.282 ( 0.000 0.000 -2.756) 2.756 3.301 ( 0.000 0.000 0.971) 0.971 3.414 ( 0.000 0.000 9.740) 9.740 3.416 ( 0.000 0.000 -4.490) 4.490 3.486 ( 0.000 0.000 6.617) 6.617 3.501 ( 0.000 0.000 3.266) 3.266 3.667 ( 0.000 0.000 2.803) 2.803 3.702 ( 0.000 0.000 -2.019) 2.019 3.742 ( 0.000 0.000 -7.740) 7.740 3.786 ( 0.000 0.000 -5.095) 5.095 3.813 ( 0.000 0.000 2.197) 2.197 3.822 ( 0.000 0.000 -0.667) 0.667 3.858 ( 0.000 0.000 -0.362) 0.362 3.862 ( 0.000 0.000 5.247) 5.247 3.904 ( 0.000 0.000 -9.623) 9.623 3.942 ( 0.000 0.000 0.993) 0.993 3.995 ( 0.000 0.000 -2.507) 2.507 4.017 ( 0.000 0.000 -3.479) 3.479 4.053 ( 0.000 0.000 -8.136) 8.136 4.158 ( 0.000 0.000 0.907) 0.907 4.181 ( 0.000 0.000 -1.070) 1.070 4.183 ( 0.000 0.000 -1.340) 1.340 4.272 ( 0.000 0.000 -2.912) 2.912 4.329 ( 0.000 0.000 -3.577) 3.577 4.367 ( 0.000 0.000 -6.552) 6.552 4.517 ( 0.000 0.000 9.301) 9.301 4.742 ( 0.000 0.000 -0.518) 0.518 4.750 ( 0.000 0.000 13.821) 13.821 4.867 ( 0.000 0.000 1.082) 1.082 4.927 ( 0.000 0.000 -0.271) 0.271 4.945 ( 0.000 0.000 -2.240) 2.240 5.072 ( 0.000 0.000 -0.335) 0.335 5.137 ( 0.000 0.000 4.651) 4.651 5.167 ( 0.000 0.000 4.985) 4.985 5.182 ( 0.000 0.000 -4.153) 4.153 5.302 ( 0.000 0.000 -0.156) 0.156 5.321 ( 0.000 0.000 2.770) 2.770 5.516 ( 0.000 0.000 -2.735) 2.735 5.519 ( 0.000 0.000 -5.405) 5.405 5.666 ( 0.000 0.000 -0.046) 0.046 5.696 ( 0.000 0.000 -0.773) 0.773 5.953 ( 0.000 0.000 7.358) 7.358 6.258 ( 0.000 0.000 -4.724) 4.724 7.384 ( 0.000 0.000 2.847) 2.847 7.546 ( 0.000 0.000 -3.004) 3.004 7.572 ( 0.000 0.000 5.909) 5.909 7.604 ( 0.000 0.000 7.259) 7.259 7.804 ( 0.000 0.000 4.717) 4.717 7.993 ( 0.000 0.000 -10.456) 10.456 8.059 ( 0.000 0.000 -10.540) 10.540 8.069 ( 0.000 0.000 -5.362) 5.362 8.434 ( 0.000 0.000 2.744) 2.744 8.606 ( 0.000 0.000 -4.010) 4.010 8.662 ( 0.000 0.000 -0.671) 0.671 8.675 ( 0.000 0.000 5.626) 5.626 8.734 ( 0.000 0.000 -2.899) 2.899 8.746 ( 0.000 0.000 7.284) 7.284 8.837 ( 0.000 0.000 4.750) 4.750 8.860 ( 0.000 0.000 0.960) 0.960 8.945 ( 0.000 0.000 3.366) 3.366 8.998 ( 0.000 0.000 -3.905) 3.905 9.005 ( 0.000 0.000 -0.835) 0.835 9.028 ( 0.000 0.000 -7.076) 7.076 9.145 ( 0.000 0.000 -7.951) 7.951 9.227 ( 0.000 0.000 -8.796) 8.796 9.310 ( 0.000 0.000 3.990) 3.990 9.399 ( 0.000 0.000 -0.336) 0.336 9.451 ( 0.000 0.000 9.852) 9.852 9.579 ( 0.000 0.000 3.905) 3.905 9.677 ( 0.000 0.000 -0.389) 0.389 9.718 ( 0.000 0.000 3.992) 3.992 9.755 ( 0.000 0.000 -2.201) 2.201 9.818 ( 0.000 0.000 -5.943) 5.943 9.890 ( 0.000 0.000 -4.479) 4.479 9.948 ( 0.000 0.000 5.636) 5.636 9.955 ( 0.000 0.000 -4.875) 4.875 10.069 ( 0.000 0.000 2.644) 2.644 10.095 ( 0.000 0.000 -0.524) 0.524 10.136 ( 0.000 0.000 9.902) 9.902 10.159 ( 0.000 0.000 -3.914) 3.914 10.210 ( 0.000 0.000 3.016) 3.016 10.236 ( 0.000 0.000 1.608) 1.608 10.482 ( 0.000 0.000 7.622) 7.622 10.543 ( 0.000 0.000 -0.946) 0.946 10.595 ( 0.000 0.000 0.173) 0.173 10.615 ( 0.000 0.000 1.107) 1.107 10.789 ( 0.000 0.000 -4.472) 4.472 10.841 ( 0.000 0.000 -2.744) 2.744 10.900 ( 0.000 0.000 -10.431) 10.431 11.206 ( 0.000 0.000 -4.586) 4.586 11.463 ( 0.000 0.000 -8.026) 8.026 11.536 ( 0.000 0.000 0.529) 0.529 11.538 ( 0.000 0.000 4.009) 4.009 11.584 ( 0.000 0.000 -2.544) 2.544 11.614 ( 0.000 0.000 0.848) 0.848 11.806 ( 0.000 0.000 3.191) 3.191 11.827 ( 0.000 0.000 18.958) 18.958 11.948 ( 0.000 0.000 -1.872) 1.872 12.032 ( 0.000 0.000 0.162) 0.162 12.168 ( 0.000 0.000 -2.840) 2.840 12.213 ( 0.000 0.000 9.741) 9.741 12.431 ( 0.000 0.000 -3.327) 3.327 12.453 ( 0.000 0.000 11.056) 11.056 12.520 ( 0.000 0.000 -6.342) 6.342 12.751 ( 0.000 0.000 3.231) 3.231 13.037 ( 0.000 0.000 -6.260) 6.260 13.046 ( 0.000 0.000 -4.342) 4.342 13.289 ( 0.000 0.000 2.931) 2.931 13.560 ( 0.000 0.000 5.399) 5.399 13.667 ( 0.000 0.000 -13.201) 13.201 13.997 ( 0.000 0.000 6.184) 6.184 14.069 ( 0.000 0.000 11.912) 11.912 14.209 ( 0.000 0.000 -2.324) 2.324 14.308 ( 0.000 0.000 -13.643) 13.643 14.459 ( 0.000 0.000 11.285) 11.285 14.477 ( 0.000 0.000 -7.025) 7.025 14.832 ( 0.000 0.000 -5.277) 5.277 14.860 ( 0.000 0.000 -1.021) 1.021 14.886 ( 0.000 0.000 -1.112) 1.112 15.308 ( 0.000 0.000 0.210) 0.210 15.326 ( 0.000 0.000 -1.993) 1.993 15.392 ( 0.000 0.000 3.367) 3.367 15.413 ( 0.000 0.000 3.556) 3.556 15.542 ( 0.000 0.000 -2.716) 2.716 15.543 ( 0.000 0.000 5.383) 5.383 15.764 ( 0.000 0.000 -5.171) 5.171 15.876 ( 0.000 0.000 0.078) 0.078 15.880 ( 0.000 0.000 -0.077) 0.077 15.920 ( 0.000 0.000 -4.848) 4.848 16.134 ( 0.000 0.000 -0.590) 0.590 16.217 ( 0.000 0.000 -4.712) 4.712 16.243 ( 0.000 0.000 7.440) 7.440 16.511 ( 0.000 0.000 -3.785) 3.785 16.792 ( 0.000 0.000 2.247) 2.247 16.873 ( 0.000 0.000 -1.414) 1.414 17.416 ( 0.000 0.000 2.359) 2.359 17.533 ( 0.000 0.000 -2.046) 2.046 17.657 ( 0.000 0.000 7.756) 7.756 17.928 ( 0.000 0.000 -4.608) 4.608 18.007 ( 0.000 0.000 1.314) 1.314 18.106 ( 0.000 0.000 2.244) 2.244 18.119 ( 0.000 0.000 -4.062) 4.062 18.170 ( 0.000 0.000 -0.789) 0.789 18.349 ( 0.000 0.000 6.029) 6.029 18.537 ( 0.000 0.000 -2.407) 2.407 18.658 ( 0.000 0.000 10.099) 10.099 18.770 ( 0.000 0.000 3.315) 3.315 18.975 ( 0.000 0.000 -4.167) 4.167 19.216 ( 0.000 0.000 -11.965) 11.965 19.499 ( 0.000 0.000 0.654) 0.654 19.500 ( 0.000 0.000 1.985) 1.985 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 16.768 0.000 16.984) 23.867 0.801 ( 18.434 0.000 19.576) 26.889 1.433 ( 28.010 0.000 28.909) 40.252 1.569 ( 2.798 0.000 -9.089) 9.510 1.595 ( -2.558 0.000 -5.984) 6.508 1.637 ( -5.431 0.000 -2.010) 5.791 1.666 ( -9.809 0.000 -2.680) 10.169 2.062 ( -12.657 0.000 -12.554) 17.827 2.163 ( 1.713 0.000 -1.405) 2.215 2.340 ( -9.520 0.000 -4.845) 10.682 2.392 ( 10.196 0.000 0.940) 10.239 2.438 ( -3.020 0.000 -0.055) 3.021 2.500 ( 1.747 0.000 10.209) 10.357 2.556 ( 4.822 0.000 8.211) 9.522 2.617 ( 8.189 0.000 0.624) 8.213 2.689 ( 4.856 0.000 5.074) 7.023 2.713 ( 0.424 0.000 8.902) 8.913 2.792 ( -3.043 0.000 0.742) 3.132 2.796 ( -3.227 0.000 7.553) 8.213 2.883 ( 0.592 0.000 1.998) 2.084 2.906 ( 4.903 0.000 -13.970) 14.805 3.023 ( 4.068 0.000 -1.563) 4.358 3.050 ( -14.292 0.000 -1.089) 14.333 3.073 ( 4.375 0.000 -1.205) 4.538 3.085 ( 0.844 0.000 -1.186) 1.455 3.156 ( 6.240 0.000 -4.036) 7.432 3.213 ( -1.608 0.000 -0.300) 1.636 3.268 ( -0.679 0.000 -0.392) 0.784 3.283 ( 4.700 0.000 -0.418) 4.719 3.307 ( -0.913 0.000 -1.443) 1.708 3.309 ( 2.650 0.000 1.478) 3.034 3.373 ( -4.984 0.000 3.027) 5.832 3.433 ( -4.540 0.000 -1.377) 4.745 3.480 ( 3.846 0.000 5.484) 6.698 3.522 ( -7.320 0.000 3.724) 8.213 3.530 ( 3.926 0.000 0.239) 3.934 3.628 ( -2.467 0.000 -0.345) 2.491 3.702 ( -8.451 0.000 -1.560) 8.594 3.721 ( -2.664 0.000 -2.486) 3.644 3.739 ( -1.644 0.000 -5.331) 5.579 3.826 ( -2.974 0.000 -1.147) 3.187 3.845 ( 0.592 0.000 0.459) 0.749 3.901 ( 4.294 0.000 -2.513) 4.975 3.911 ( -5.789 0.000 -3.866) 6.961 3.940 ( 0.156 0.000 -6.253) 6.255 3.956 ( -2.222 0.000 2.602) 3.422 4.030 ( 1.138 0.000 -2.163) 2.444 4.044 ( 0.391 0.000 -7.216) 7.227 4.105 ( -1.080 0.000 -4.122) 4.261 4.154 ( -5.187 0.000 1.398) 5.372 4.219 ( -0.856 0.000 -5.709) 5.773 4.240 ( 4.389 0.000 1.063) 4.516 4.319 ( -2.041 0.000 -4.372) 4.825 4.390 ( 3.056 0.000 -0.676) 3.130 4.554 ( 3.847 0.000 3.707) 5.342 4.672 ( -4.973 0.000 11.675) 12.690 4.722 ( -5.178 0.000 -1.975) 5.542 4.855 ( 3.250 0.000 -2.329) 3.998 4.875 ( -6.327 0.000 0.436) 6.342 4.967 ( -1.078 0.000 -2.580) 2.797 5.005 ( -0.799 0.000 1.284) 1.512 5.074 ( 0.621 0.000 1.349) 1.485 5.097 ( -2.066 0.000 4.474) 4.928 5.234 ( -3.342 0.000 -2.896) 4.422 5.364 ( 9.539 0.000 6.033) 11.286 5.426 ( 6.092 0.000 3.906) 7.237 5.520 ( 0.113 0.000 -0.754) 0.763 5.642 ( 0.046 0.000 -2.667) 2.667 5.722 ( 4.715 0.000 0.479) 4.739 5.822 ( 10.420 0.000 -3.730) 11.068 5.921 ( -3.005 0.000 6.133) 6.830 6.196 ( -5.692 0.000 -4.456) 7.229 7.437 ( 4.814 0.000 2.974) 5.659 7.522 ( -0.800 0.000 3.974) 4.054 7.539 ( -1.668 0.000 6.842) 7.043 7.693 ( 6.658 0.000 0.551) 6.680 7.724 ( -6.424 0.000 3.575) 7.351 8.009 ( -5.560 0.000 -4.427) 7.107 8.022 ( 1.838 0.000 -9.480) 9.657 8.059 ( -0.115 0.000 -10.338) 10.339 8.426 ( -0.141 0.000 2.929) 2.932 8.552 ( -5.699 0.000 3.476) 6.676 8.615 ( 0.895 0.000 -3.965) 4.065 8.661 ( -2.911 0.000 1.031) 3.089 8.741 ( 1.553 0.000 3.685) 3.999 8.763 ( 3.069 0.000 4.360) 5.332 8.852 ( -0.087 0.000 4.073) 4.074 8.899 ( -3.315 0.000 3.652) 4.932 8.911 ( 2.441 0.000 -0.744) 2.552 8.997 ( -0.837 0.000 -4.441) 4.519 9.019 ( 1.795 0.000 -1.768) 2.520 9.070 ( 6.071 0.000 -2.454) 6.548 9.128 ( -1.330 0.000 -7.538) 7.654 9.214 ( -0.450 0.000 -9.071) 9.082 9.294 ( -2.002 0.000 3.694) 4.201 9.393 ( -1.681 0.000 -1.624) 2.337 9.469 ( 1.548 0.000 8.132) 8.278 9.554 ( -2.131 0.000 4.011) 4.542 9.667 ( -0.680 0.000 1.760) 1.887 9.701 ( -2.481 0.000 4.279) 4.946 9.763 ( 1.130 0.000 -1.228) 1.668 9.824 ( 0.887 0.000 -4.541) 4.627 9.849 ( -1.053 0.000 -5.873) 5.967 9.894 ( -3.100 0.000 0.992) 3.255 10.020 ( 4.010 0.000 -0.419) 4.032 10.100 ( -2.209 0.000 -1.334) 2.580 10.126 ( 2.108 0.000 4.224) 4.721 10.146 ( 1.105 0.000 4.473) 4.608 10.201 ( -1.650 0.000 2.728) 3.188 10.219 ( -1.244 0.000 -0.501) 1.341 10.290 ( 5.914 0.000 -2.801) 6.544 10.382 ( 0.792 0.000 0.654) 1.027 10.519 ( -4.964 0.000 -0.923) 5.049 10.540 ( 0.305 0.000 3.702) 3.714 10.647 ( -7.858 0.000 -0.933) 7.913 10.684 ( -1.695 0.000 -6.388) 6.609 10.965 ( 6.781 0.000 -5.264) 8.585 10.976 ( 7.067 0.000 -3.190) 7.753 11.181 ( -2.265 0.000 -4.322) 4.880 11.262 ( -8.527 0.000 -0.922) 8.577 11.497 ( -3.523 0.000 1.135) 3.702 11.566 ( -4.037 0.000 7.938) 8.906 11.625 ( 5.371 0.000 -3.664) 6.502 11.789 ( 6.549 0.000 -2.953) 7.184 11.842 ( 7.622 0.000 6.694) 10.144 11.937 ( -0.122 0.000 0.279) 0.304 12.001 ( 8.104 0.000 6.932) 10.664 12.026 ( -0.538 0.000 -0.188) 0.570 12.127 ( -4.033 0.000 0.642) 4.083 12.192 ( -1.359 0.000 8.858) 8.962 12.432 ( 0.489 0.000 -3.013) 3.053 12.506 ( -1.516 0.000 -3.158) 3.503 12.522 ( 9.487 0.000 8.585) 12.795 12.906 ( 13.469 0.000 -0.135) 13.470 13.096 ( -2.494 0.000 -0.362) 2.520 13.101 ( 5.270 0.000 -5.993) 7.981 13.290 ( -0.863 0.000 2.722) 2.855 13.483 ( -6.486 0.000 4.022) 7.632 13.694 ( -4.588 0.000 -9.152) 10.238 13.731 ( -4.117 0.000 -6.429) 7.634 14.038 ( -1.649 0.000 10.593) 10.720 14.208 ( -2.879 0.000 0.240) 2.889 14.396 ( -0.514 0.000 -2.827) 2.874 14.407 ( -0.920 0.000 8.335) 8.385 14.535 ( 4.928 0.000 -11.588) 12.592 14.727 ( -6.740 0.000 -3.634) 7.657 14.742 ( -5.972 0.000 -0.612) 6.003 14.815 ( -4.900 0.000 -1.762) 5.207 15.302 ( -0.218 0.000 0.169) 0.276 15.334 ( 0.807 0.000 -1.565) 1.761 15.359 ( -1.918 0.000 2.236) 2.946 15.427 ( -3.932 0.000 0.754) 4.003 15.490 ( 4.011 0.000 2.414) 4.681 15.687 ( -7.531 0.000 0.316) 7.538 15.688 ( 5.597 0.000 -2.803) 6.260 15.763 ( 0.178 0.000 -6.593) 6.596 15.932 ( 4.241 0.000 3.201) 5.314 16.041 ( 5.002 0.000 0.714) 5.053 16.114 ( -2.455 0.000 1.956) 3.139 16.210 ( -1.918 0.000 -4.834) 5.201 16.286 ( 4.475 0.000 5.689) 7.238 16.553 ( 3.856 0.000 -4.562) 5.973 16.634 ( -10.788 0.000 2.481) 11.070 16.760 ( -5.473 0.000 -2.659) 6.084 17.619 ( 14.153 0.000 3.293) 14.531 17.708 ( 4.499 0.000 8.051) 9.222 17.793 ( 9.621 0.000 -2.860) 10.037 17.963 ( 2.225 0.000 -3.481) 4.131 18.006 ( 0.179 0.000 -0.103) 0.206 18.065 ( -3.014 0.000 0.764) 3.109 18.111 ( -4.323 0.000 -1.396) 4.542 18.119 ( -0.857 0.000 -3.336) 3.445 18.377 ( 3.505 0.000 5.826) 6.799 18.609 ( 5.510 0.000 -4.842) 7.335 18.693 ( -6.877 0.000 3.569) 7.748 18.693 ( 2.555 0.000 9.127) 9.478 18.963 ( -0.526 0.000 -3.993) 4.027 19.234 ( -15.143 0.000 11.036) 18.737 19.247 ( 2.895 0.000 -10.224) 10.626 19.445 ( -4.671 0.000 -0.625) 4.713 ======================= Grid point 47 (18/45) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -22.567 0.000 9.448) 24.465 1.136 ( 22.567 0.000 9.448) 24.465 1.188 ( -18.813 0.000 17.411) 25.633 1.188 ( 18.813 0.000 17.411) 25.633 1.788 ( -9.982 0.000 -19.144) 21.590 1.788 ( 9.982 0.000 -19.144) 21.590 1.982 ( -17.013 0.000 -16.954) 24.018 1.982 ( 17.013 0.000 -16.954) 24.018 2.260 ( -34.691 0.000 15.095) 37.833 2.260 ( 34.691 0.000 15.095) 37.833 2.314 ( -6.530 0.000 6.804) 9.430 2.314 ( 6.530 0.000 6.804) 9.430 2.517 ( -0.558 0.000 6.257) 6.282 2.517 ( 0.558 0.000 6.257) 6.282 2.657 ( -5.464 0.000 7.993) 9.682 2.657 ( 5.464 0.000 7.993) 9.682 2.771 ( -4.491 0.000 6.471) 7.877 2.771 ( 4.491 0.000 6.471) 7.877 2.862 ( -10.838 0.000 1.332) 10.919 2.862 ( 10.838 0.000 1.332) 10.919 2.876 ( -7.040 0.000 1.783) 7.262 2.876 ( 7.040 0.000 1.783) 7.262 3.109 ( -3.512 0.000 -3.036) 4.643 3.109 ( 3.512 0.000 -3.036) 4.643 3.181 ( -9.921 0.000 -1.605) 10.050 3.181 ( 9.921 0.000 -1.605) 10.050 3.243 ( -3.314 0.000 -9.224) 9.801 3.243 ( 3.314 0.000 -9.224) 9.801 3.350 ( -1.598 0.000 -1.261) 2.036 3.350 ( 1.598 0.000 -1.261) 2.036 3.366 ( -6.604 0.000 3.528) 7.487 3.366 ( 6.604 0.000 3.528) 7.487 3.389 ( -1.427 0.000 -5.400) 5.586 3.389 ( 1.427 0.000 -5.400) 5.586 3.477 ( -4.094 0.000 1.994) 4.553 3.477 ( 4.094 0.000 1.994) 4.553 3.658 ( -4.760 0.000 -0.458) 4.782 3.658 ( 4.760 0.000 -0.458) 4.782 3.682 ( -3.055 0.000 -0.215) 3.062 3.682 ( 3.055 0.000 -0.215) 3.062 3.810 ( -4.032 0.000 -4.418) 5.981 3.810 ( 4.032 0.000 -4.418) 5.981 3.883 ( -3.233 0.000 1.240) 3.463 3.883 ( 3.233 0.000 1.240) 3.463 3.977 ( -3.545 0.000 1.416) 3.817 3.977 ( 3.545 0.000 1.416) 3.817 3.999 ( -4.289 0.000 -8.529) 9.547 3.999 ( 4.289 0.000 -8.529) 9.547 4.101 ( -2.003 0.000 -5.341) 5.704 4.101 ( 2.003 0.000 -5.341) 5.704 4.217 ( -2.271 0.000 -5.061) 5.548 4.217 ( 2.271 0.000 -5.061) 5.548 4.493 ( -6.683 0.000 2.949) 7.305 4.493 ( 6.683 0.000 2.949) 7.305 4.504 ( -12.708 0.000 0.255) 12.710 4.504 ( 12.708 0.000 0.255) 12.710 4.724 ( -6.946 0.000 4.729) 8.403 4.724 ( 6.946 0.000 4.729) 8.403 4.939 ( -3.039 0.000 -3.640) 4.742 4.939 ( 3.039 0.000 -3.640) 4.742 5.039 ( -2.972 0.000 3.606) 4.673 5.039 ( 2.972 0.000 3.606) 4.673 5.141 ( -4.712 0.000 -1.879) 5.073 5.141 ( 4.712 0.000 -1.879) 5.073 5.497 ( -3.096 0.000 3.488) 4.663 5.497 ( 3.096 0.000 3.488) 4.663 5.567 ( -6.360 0.000 2.570) 6.859 5.567 ( 6.360 0.000 2.570) 6.859 5.832 ( -5.152 0.000 3.184) 6.056 5.832 ( 5.152 0.000 3.184) 6.056 6.032 ( -9.383 0.000 -3.746) 10.103 6.032 ( 9.383 0.000 -3.746) 10.103 7.519 ( -0.369 0.000 6.183) 6.194 7.519 ( 0.369 0.000 6.183) 6.194 7.571 ( -7.438 0.000 3.219) 8.105 7.571 ( 7.438 0.000 3.219) 8.105 7.856 ( -8.218 0.000 -2.552) 8.606 7.856 ( 8.218 0.000 -2.552) 8.606 8.050 ( -0.789 0.000 -9.808) 9.840 8.050 ( 0.789 0.000 -9.808) 9.840 8.454 ( -3.113 0.000 3.539) 4.713 8.454 ( 3.113 0.000 3.539) 4.713 8.634 ( -0.732 0.000 -2.181) 2.301 8.634 ( 0.732 0.000 -2.181) 2.301 8.788 ( -2.608 0.000 3.452) 4.326 8.788 ( 2.608 0.000 3.452) 4.326 8.845 ( -2.028 0.000 3.715) 4.232 8.845 ( 2.028 0.000 3.715) 4.232 8.940 ( -2.190 0.000 -2.539) 3.353 8.940 ( 2.190 0.000 -2.539) 3.353 9.103 ( -1.810 0.000 -5.968) 6.236 9.103 ( 1.810 0.000 -5.968) 6.236 9.209 ( -6.047 0.000 1.089) 6.144 9.209 ( 6.047 0.000 1.089) 6.144 9.286 ( -7.343 0.000 -4.179) 8.449 9.286 ( 7.343 0.000 -4.179) 8.449 9.507 ( -2.045 0.000 5.377) 5.752 9.507 ( 2.045 0.000 5.377) 5.752 9.660 ( -0.600 0.000 4.441) 4.481 9.660 ( 0.600 0.000 4.441) 4.481 9.816 ( -3.801 0.000 0.239) 3.808 9.816 ( 3.801 0.000 0.239) 3.808 9.836 ( -0.396 0.000 -5.934) 5.947 9.836 ( 0.396 0.000 -5.934) 5.947 10.117 ( -3.692 0.000 1.649) 4.044 10.117 ( 3.692 0.000 1.649) 4.044 10.121 ( -5.171 0.000 0.824) 5.236 10.121 ( 5.171 0.000 0.824) 5.236 10.158 ( -0.748 0.000 3.721) 3.795 10.158 ( 0.748 0.000 3.721) 3.795 10.413 ( -1.469 0.000 -4.621) 4.849 10.413 ( 1.469 0.000 -4.621) 4.849 10.504 ( -4.317 0.000 0.191) 4.321 10.504 ( 4.317 0.000 0.191) 4.321 10.581 ( -5.106 0.000 -2.426) 5.653 10.581 ( 5.106 0.000 -2.426) 5.653 11.108 ( -5.189 0.000 -4.418) 6.815 11.108 ( 5.189 0.000 -4.418) 6.815 11.116 ( -6.299 0.000 -1.469) 6.468 11.116 ( 6.299 0.000 -1.469) 6.468 11.477 ( -2.503 0.000 7.821) 8.212 11.477 ( 2.503 0.000 7.821) 8.212 11.759 ( -6.150 0.000 -3.251) 6.956 11.759 ( 6.150 0.000 -3.251) 6.956 11.992 ( -3.001 0.000 0.012) 3.001 11.992 ( 3.001 0.000 0.012) 3.001 12.003 ( -7.215 0.000 4.897) 8.720 12.003 ( 7.215 0.000 4.897) 8.720 12.134 ( -4.492 0.000 6.750) 8.108 12.134 ( 4.492 0.000 6.750) 8.108 12.462 ( -2.196 0.000 -1.613) 2.725 12.462 ( 2.196 0.000 -1.613) 2.725 12.835 ( -17.464 0.000 7.621) 19.055 12.835 ( 17.464 0.000 7.621) 19.055 13.167 ( -7.351 0.000 -5.554) 9.213 13.167 ( 7.351 0.000 -5.554) 9.213 13.310 ( -9.377 0.000 2.398) 9.679 13.310 ( 9.377 0.000 2.398) 9.679 13.691 ( -3.914 0.000 -12.680) 13.270 13.691 ( 3.914 0.000 -12.680) 13.270 14.070 ( -6.065 0.000 6.444) 8.849 14.070 ( 6.065 0.000 6.444) 8.849 14.389 ( -1.277 0.000 0.532) 1.384 14.389 ( 1.277 0.000 0.532) 1.384 14.638 ( -4.608 0.000 -5.211) 6.957 14.638 ( 4.608 0.000 -5.211) 6.957 14.709 ( -4.014 0.000 -1.957) 4.466 14.709 ( 4.014 0.000 -1.957) 4.466 15.315 ( -1.647 0.000 0.669) 1.777 15.315 ( 1.647 0.000 0.669) 1.777 15.364 ( -2.164 0.000 -0.827) 2.316 15.364 ( 2.164 0.000 -0.827) 2.316 15.572 ( -4.122 0.000 1.724) 4.468 15.572 ( 4.122 0.000 1.724) 4.468 15.758 ( -1.271 0.000 -6.599) 6.720 15.758 ( 1.271 0.000 -6.599) 6.720 16.033 ( -4.826 0.000 4.649) 6.701 16.033 ( 4.826 0.000 4.649) 6.701 16.140 ( -4.302 0.000 -1.345) 4.508 16.140 ( 4.302 0.000 -1.345) 4.508 16.425 ( -8.490 0.000 3.838) 9.317 16.425 ( 8.490 0.000 3.838) 9.317 16.653 ( -5.058 0.000 -4.753) 6.940 16.653 ( 5.058 0.000 -4.753) 6.940 17.816 ( -4.520 0.000 7.966) 9.159 17.816 ( 4.520 0.000 7.966) 9.159 17.883 ( -9.671 0.000 2.538) 9.999 17.883 ( 9.671 0.000 2.538) 9.999 18.037 ( -2.524 0.000 -3.623) 4.415 18.037 ( 2.524 0.000 -3.623) 4.415 18.075 ( -2.930 0.000 -3.243) 4.371 18.075 ( 2.930 0.000 -3.243) 4.371 18.514 ( -8.845 0.000 4.465) 9.908 18.514 ( 8.845 0.000 4.465) 9.908 18.706 ( -2.458 0.000 0.951) 2.635 18.706 ( 2.458 0.000 0.951) 2.635 19.008 ( -6.181 0.000 3.687) 7.197 19.008 ( 6.181 0.000 3.687) 7.197 19.334 ( -5.169 0.000 -5.840) 7.799 19.334 ( 5.169 0.000 -5.840) 7.799 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 0.000 16.360 15.865) 22.789 0.756 ( 0.000 17.898 17.127) 24.772 1.343 ( 0.000 24.914 35.025) 42.982 1.459 ( 0.000 5.590 -16.181) 17.119 1.602 ( 0.000 4.889 -21.557) 22.104 1.931 ( 0.000 1.653 12.878) 12.983 2.054 ( 0.000 2.164 3.310) 3.955 2.093 ( 0.000 -1.910 2.795) 3.385 2.178 ( 0.000 1.624 1.855) 2.465 2.227 ( 0.000 1.040 0.848) 1.342 2.324 ( 0.000 -0.006 -7.437) 7.437 2.408 ( 0.000 -6.038 7.714) 9.796 2.448 ( 0.000 -1.777 1.886) 2.591 2.507 ( 0.000 1.829 -1.528) 2.383 2.544 ( 0.000 -4.348 -2.425) 4.979 2.631 ( 0.000 -0.306 6.135) 6.142 2.688 ( 0.000 -3.418 2.290) 4.114 2.750 ( 0.000 0.225 -10.390) 10.392 2.787 ( 0.000 0.451 -0.564) 0.722 2.846 ( 0.000 -2.371 3.815) 4.492 2.927 ( 0.000 4.251 -15.091) 15.678 2.938 ( 0.000 0.043 1.394) 1.395 3.019 ( 0.000 0.274 -0.624) 0.682 3.060 ( 0.000 3.330 -4.216) 5.373 3.154 ( 0.000 -3.749 3.692) 5.262 3.171 ( 0.000 -0.015 -1.955) 1.955 3.213 ( 0.000 -5.366 0.234) 5.371 3.254 ( 0.000 -0.816 1.930) 2.095 3.261 ( 0.000 -2.119 -2.220) 3.069 3.284 ( 0.000 -1.712 -1.464) 2.252 3.318 ( 0.000 1.239 1.200) 1.725 3.372 ( 0.000 -3.365 -4.624) 5.719 3.406 ( 0.000 -1.217 4.191) 4.364 3.471 ( 0.000 -1.432 5.356) 5.544 3.508 ( 0.000 1.388 5.340) 5.517 3.624 ( 0.000 -3.124 -3.057) 4.371 3.689 ( 0.000 -7.263 1.907) 7.509 3.719 ( 0.000 -0.541 6.326) 6.349 3.750 ( 0.000 -2.607 -7.743) 8.170 3.764 ( 0.000 -4.729 0.961) 4.826 3.794 ( 0.000 0.808 -4.003) 4.084 3.836 ( 0.000 -3.946 -6.101) 7.266 3.851 ( 0.000 -1.606 1.425) 2.147 3.889 ( 0.000 3.107 -2.886) 4.241 3.954 ( 0.000 0.534 2.208) 2.272 3.981 ( 0.000 1.408 -2.531) 2.896 4.034 ( 0.000 3.151 -1.422) 3.457 4.043 ( 0.000 -2.978 -0.013) 2.978 4.128 ( 0.000 -5.957 1.058) 6.050 4.206 ( 0.000 1.280 -2.306) 2.637 4.208 ( 0.000 1.740 -1.533) 2.318 4.268 ( 0.000 7.624 -5.686) 9.511 4.328 ( 0.000 -3.684 -4.182) 5.573 4.419 ( 0.000 4.105 -3.978) 5.716 4.534 ( 0.000 1.331 8.029) 8.138 4.721 ( 0.000 1.485 0.016) 1.485 4.741 ( 0.000 -7.593 2.875) 8.119 4.747 ( 0.000 -3.941 4.858) 6.256 4.946 ( 0.000 1.559 -1.733) 2.331 4.954 ( 0.000 -1.661 -3.765) 4.115 5.127 ( 0.000 -2.404 8.794) 9.116 5.128 ( 0.000 0.032 2.769) 2.769 5.165 ( 0.000 4.361 0.089) 4.362 5.209 ( 0.000 -5.811 6.694) 8.864 5.235 ( 0.000 3.115 -1.376) 3.405 5.317 ( 0.000 0.954 0.454) 1.057 5.345 ( 0.000 -5.794 6.270) 8.537 5.472 ( 0.000 -4.619 -2.061) 5.058 5.646 ( 0.000 -1.934 0.295) 1.956 5.728 ( 0.000 3.685 -2.750) 4.598 5.944 ( 0.000 -0.654 5.047) 5.089 6.167 ( 0.000 -8.285 -3.695) 9.072 7.521 ( 0.000 12.306 2.298) 12.519 7.639 ( 0.000 8.495 -1.554) 8.636 7.644 ( 0.000 9.205 7.653) 11.971 7.726 ( 0.000 10.972 6.945) 12.985 7.849 ( 0.000 4.480 3.935) 5.963 8.054 ( 0.000 3.968 -9.789) 10.563 8.088 ( 0.000 1.892 -4.756) 5.119 8.165 ( 0.000 4.537 -8.976) 10.058 8.444 ( 0.000 1.086 2.716) 2.925 8.584 ( 0.000 -1.487 -0.722) 1.652 8.644 ( 0.000 -1.842 2.569) 3.161 8.655 ( 0.000 -1.515 1.272) 1.978 8.688 ( 0.000 -0.935 4.433) 4.531 8.729 ( 0.000 0.061 4.927) 4.927 8.786 ( 0.000 -3.727 1.223) 3.922 8.812 ( 0.000 -3.862 1.461) 4.130 8.896 ( 0.000 -4.289 3.250) 5.381 9.000 ( 0.000 0.070 -1.426) 1.428 9.042 ( 0.000 1.217 -7.437) 7.536 9.097 ( 0.000 0.267 -8.825) 8.829 9.123 ( 0.000 -2.079 -8.420) 8.673 9.215 ( 0.000 -1.452 -9.710) 9.818 9.367 ( 0.000 -0.309 2.258) 2.279 9.373 ( 0.000 2.487 1.522) 2.916 9.479 ( 0.000 -1.112 3.795) 3.954 9.600 ( 0.000 -0.991 4.646) 4.751 9.716 ( 0.000 -0.251 4.160) 4.167 9.736 ( 0.000 0.379 -0.766) 0.854 9.762 ( 0.000 4.018 -1.962) 4.471 9.870 ( 0.000 1.896 -3.837) 4.280 9.929 ( 0.000 4.836 -2.056) 5.255 9.942 ( 0.000 -1.213 -4.387) 4.552 10.014 ( 0.000 -3.425 2.714) 4.370 10.112 ( 0.000 1.376 7.492) 7.617 10.114 ( 0.000 0.920 -2.162) 2.349 10.205 ( 0.000 -2.003 5.502) 5.855 10.251 ( 0.000 7.830 0.903) 7.882 10.253 ( 0.000 1.058 1.231) 1.623 10.437 ( 0.000 -2.981 7.075) 7.678 10.458 ( 0.000 5.065 -5.341) 7.361 10.537 ( 0.000 -4.143 0.814) 4.223 10.597 ( 0.000 -2.515 1.832) 3.111 10.633 ( 0.000 23.367 -27.783) 36.303 10.820 ( 0.000 2.682 -5.056) 5.723 10.820 ( 0.000 1.995 -6.133) 6.450 10.903 ( 0.000 0.884 -10.651) 10.688 11.131 ( 0.000 -6.775 -4.639) 8.211 11.369 ( 0.000 -6.531 -5.411) 8.481 11.495 ( 0.000 -3.378 1.102) 3.554 11.571 ( 0.000 1.089 2.244) 2.494 11.601 ( 0.000 0.907 -3.756) 3.864 11.655 ( 0.000 3.263 -0.968) 3.403 11.784 ( 0.000 -3.930 18.474) 18.888 11.815 ( 0.000 1.864 -0.203) 1.875 11.925 ( 0.000 -2.149 -2.163) 3.049 12.040 ( 0.000 0.675 2.040) 2.149 12.173 ( 0.000 0.300 -2.911) 2.927 12.228 ( 0.000 0.978 9.972) 10.020 12.463 ( 0.000 3.055 -3.600) 4.721 12.524 ( 0.000 0.474 -6.705) 6.722 12.553 ( 0.000 9.884 -0.557) 9.900 12.791 ( 0.000 3.656 3.010) 4.735 13.066 ( 0.000 2.070 -5.371) 5.756 13.070 ( 0.000 3.187 -5.742) 6.568 13.315 ( 0.000 2.316 2.140) 3.154 13.510 ( 0.000 -4.432 6.252) 7.664 13.656 ( 0.000 -1.249 -12.953) 13.014 13.980 ( 0.000 -1.046 7.051) 7.128 14.028 ( 0.000 -3.991 10.659) 11.381 14.222 ( 0.000 1.027 -2.905) 3.081 14.283 ( 0.000 -2.399 -12.725) 12.950 14.450 ( 0.000 -2.353 -5.388) 5.879 14.452 ( 0.000 -0.542 11.690) 11.702 14.824 ( 0.000 -2.881 3.494) 4.528 14.840 ( 0.000 0.753 -5.429) 5.481 14.924 ( 0.000 2.576 -2.234) 3.410 15.318 ( 0.000 1.086 0.735) 1.311 15.357 ( 0.000 2.753 -1.427) 3.101 15.390 ( 0.000 -0.081 3.629) 3.630 15.432 ( 0.000 1.917 3.121) 3.663 15.556 ( 0.000 1.269 -3.138) 3.384 15.570 ( 0.000 2.437 3.917) 4.614 15.816 ( 0.000 4.434 -5.875) 7.360 15.896 ( 0.000 2.013 1.286) 2.389 15.918 ( 0.000 0.077 -4.100) 4.100 15.961 ( 0.000 6.361 -0.938) 6.430 16.081 ( 0.000 -6.102 5.688) 8.342 16.181 ( 0.000 -2.168 -3.154) 3.828 16.270 ( 0.000 2.493 7.433) 7.840 16.498 ( 0.000 -25.836 16.568) 30.691 16.524 ( 0.000 1.098 -3.406) 3.579 16.687 ( 0.000 -9.428 0.330) 9.434 17.425 ( 0.000 0.910 2.304) 2.477 17.543 ( 0.000 0.922 -2.133) 2.324 17.651 ( 0.000 -0.376 7.258) 7.268 17.920 ( 0.000 -0.895 -4.196) 4.291 17.998 ( 0.000 -0.874 1.658) 1.874 18.016 ( 0.000 -6.507 6.126) 8.937 18.118 ( 0.000 -3.832 -0.070) 3.833 18.125 ( 0.000 0.607 -4.279) 4.322 18.357 ( 0.000 0.827 5.866) 5.924 18.536 ( 0.000 -0.006 -2.191) 2.191 18.636 ( 0.000 -2.007 9.412) 9.624 18.738 ( 0.000 -2.852 2.788) 3.989 18.915 ( 0.000 -5.564 -3.664) 6.662 19.069 ( 0.000 -17.247 13.394) 21.837 19.186 ( 0.000 -7.764 -4.438) 8.943 19.408 ( 0.000 -8.466 0.322) 8.472 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 12.762 14.833 13.772) 23.928 0.945 ( 16.226 12.852 15.830) 26.058 1.585 ( 7.481 11.092 15.334) 20.350 1.625 ( 0.525 4.859 -6.402) 8.054 1.650 ( 1.938 5.798 -8.350) 10.349 1.707 ( -5.618 5.910 2.063) 8.411 1.711 ( 5.289 7.829 3.848) 10.202 2.073 ( -10.430 1.385 -9.421) 14.123 2.182 ( 1.253 1.446 -1.597) 2.492 2.344 ( -3.808 0.198 0.576) 3.857 2.371 ( 0.394 -1.599 -1.794) 2.435 2.456 ( 5.753 -1.491 3.742) 7.023 2.478 ( -0.446 -1.186 8.252) 8.348 2.512 ( 5.473 -2.009 4.919) 7.628 2.583 ( 5.696 -2.279 1.321) 6.276 2.657 ( 0.405 -1.942 6.002) 6.322 2.695 ( 2.119 -1.184 5.746) 6.237 2.766 ( -1.607 -2.068 0.241) 2.630 2.784 ( -2.370 -1.099 3.693) 4.524 2.868 ( 2.160 -1.666 -6.127) 6.707 2.918 ( 5.614 -0.169 -5.161) 7.627 2.999 ( -0.667 -1.381 -1.780) 2.350 3.037 ( -4.303 -0.329 -1.793) 4.674 3.104 ( 1.057 0.635 -3.761) 3.957 3.139 ( -2.443 -1.071 -5.468) 6.084 3.175 ( 0.943 1.168 -1.019) 1.814 3.188 ( -1.972 -0.441 0.824) 2.183 3.231 ( 0.930 -1.937 0.192) 2.157 3.258 ( 3.125 -2.768 -3.051) 5.171 3.286 ( 1.148 -3.576 -1.418) 4.014 3.307 ( 1.818 -0.994 1.161) 2.375 3.374 ( -5.932 0.239 4.103) 7.217 3.408 ( -3.416 0.356 2.249) 4.105 3.474 ( 3.375 -1.465 1.953) 4.165 3.490 ( 0.822 -0.848 0.963) 1.524 3.545 ( -2.411 0.842 1.743) 3.092 3.623 ( -6.789 -2.947 0.018) 7.401 3.664 ( -0.184 -3.284 1.351) 3.556 3.696 ( -5.091 -2.109 1.662) 5.756 3.733 ( -1.148 -0.071 -1.448) 1.850 3.806 ( 0.492 -2.357 -4.361) 4.982 3.824 ( -1.653 -1.828 -0.063) 2.465 3.864 ( 2.959 -2.079 -2.353) 4.314 3.931 ( 0.397 0.576 -3.918) 3.980 3.960 ( 0.232 3.456 -1.669) 3.845 3.995 ( 0.652 2.199 0.822) 2.436 4.028 ( -1.382 -1.832 -2.903) 3.701 4.046 ( -1.334 -1.382 -2.264) 2.969 4.068 ( -4.918 1.751 -4.432) 6.848 4.117 ( -0.108 -4.450 0.987) 4.560 4.224 ( -6.623 1.272 -3.347) 7.529 4.255 ( -3.262 -0.125 -0.283) 3.277 4.281 ( 5.324 1.000 -6.730) 8.640 4.394 ( -0.043 -0.577 -4.687) 4.723 4.553 ( 1.175 -0.918 2.225) 2.678 4.617 ( -8.125 -4.120 1.749) 9.276 4.743 ( 0.035 0.110 0.437) 0.452 4.800 ( 3.983 0.718 1.715) 4.396 4.916 ( -0.943 -0.231 2.207) 2.411 5.010 ( 2.066 2.696 0.321) 3.412 5.060 ( -4.170 6.408 0.867) 7.694 5.100 ( -0.926 0.425 4.000) 4.128 5.132 ( -0.373 2.557 2.843) 3.842 5.246 ( -2.222 0.578 -1.217) 2.599 5.330 ( 7.794 -3.747 4.548) 9.771 5.391 ( 5.996 -2.894 2.128) 6.990 5.453 ( 3.685 -9.439 2.638) 10.470 5.477 ( 0.228 -5.992 0.748) 6.043 5.735 ( 6.069 0.158 -0.715) 6.113 5.796 ( 6.809 -1.049 -2.456) 7.314 5.918 ( -2.381 0.008 3.861) 4.536 6.111 ( -5.114 -7.753 -3.435) 9.903 7.561 ( 3.425 10.853 2.668) 11.689 7.634 ( 0.293 10.138 4.281) 11.009 7.636 ( -0.812 9.301 4.733) 10.467 7.763 ( 0.833 7.275 4.111) 8.398 7.832 ( 0.444 8.236 0.938) 8.302 8.038 ( -4.072 3.177 -4.311) 6.728 8.074 ( 1.441 3.913 -8.194) 9.194 8.147 ( -1.692 5.373 -8.047) 9.823 8.438 ( -0.125 1.173 2.921) 3.150 8.537 ( -4.007 -0.876 2.941) 5.047 8.621 ( 0.411 -0.099 -2.302) 2.341 8.651 ( -0.378 -0.285 1.187) 1.278 8.722 ( 0.912 -2.352 5.321) 5.889 8.752 ( 2.972 -0.566 2.103) 3.684 8.823 ( 0.971 -2.576 2.646) 3.818 8.857 ( -1.401 -3.570 1.928) 4.293 8.872 ( 2.469 -3.703 1.160) 4.599 9.001 ( -2.347 0.731 -5.448) 5.977 9.019 ( 2.123 0.150 -1.489) 2.597 9.111 ( -0.846 -1.539 -7.221) 7.431 9.138 ( 3.618 1.582 -6.487) 7.594 9.194 ( -0.727 -2.261 -9.454) 9.748 9.339 ( -3.041 1.251 0.837) 3.393 9.365 ( -1.644 -0.352 -0.777) 1.852 9.478 ( 0.594 -0.259 5.986) 6.021 9.587 ( -1.943 1.011 4.673) 5.161 9.689 ( -1.145 -0.551 1.585) 2.031 9.711 ( -1.899 2.117 3.182) 4.267 9.766 ( -1.469 2.975 -1.060) 3.483 9.806 ( -4.153 -0.346 -1.560) 4.450 9.884 ( 0.277 4.015 -2.478) 4.726 9.933 ( -0.743 -0.592 -4.150) 4.257 10.074 ( 1.910 1.074 1.690) 2.768 10.089 ( -0.046 -0.235 0.700) 0.740 10.147 ( 0.113 1.025 2.547) 2.748 10.188 ( -0.123 2.636 2.328) 3.519 10.219 ( -1.208 -2.671 3.599) 4.642 10.279 ( -3.415 6.034 1.728) 7.146 10.354 ( 2.686 2.068 -0.913) 3.511 10.428 ( -4.852 6.162 -5.898) 9.813 10.445 ( -3.075 -2.418 0.399) 3.932 10.570 ( -2.438 7.524 -3.996) 8.861 10.664 ( -3.584 -0.102 -1.870) 4.044 10.677 ( -2.647 0.074 -3.147) 4.113 10.930 ( 4.991 -2.184 -5.478) 7.725 10.965 ( 6.255 -1.169 -4.767) 7.951 11.113 ( -1.709 -5.975 -4.203) 7.503 11.246 ( -8.130 -0.953 -3.415) 8.870 11.500 ( -1.209 -0.715 -0.081) 1.407 11.526 ( -3.151 -1.823 6.738) 7.659 11.632 ( 2.672 -0.774 -1.898) 3.368 11.771 ( 6.206 -1.272 -1.680) 6.554 11.840 ( 8.321 -0.294 7.767) 11.386 11.912 ( -0.171 -2.367 -0.137) 2.377 12.007 ( 8.829 0.601 3.950) 9.691 12.029 ( -0.912 0.348 2.143) 2.355 12.144 ( -3.425 1.341 0.102) 3.680 12.194 ( -2.065 0.066 8.372) 8.623 12.440 ( -0.971 1.048 -2.971) 3.297 12.477 ( -0.909 -0.865 -0.112) 1.259 12.604 ( 5.808 5.862 2.283) 8.562 12.926 ( 11.723 1.881 0.359) 11.878 13.108 ( 1.875 1.283 -5.447) 5.902 13.136 ( -0.504 3.220 -0.787) 3.353 13.304 ( -1.769 1.146 2.307) 3.126 13.446 ( -4.400 -3.068 4.049) 6.721 13.670 ( -3.504 -2.202 -8.909) 9.823 13.747 ( -4.154 1.112 -7.677) 8.800 14.019 ( -0.997 -1.647 10.851) 11.021 14.202 ( -3.719 -0.852 -0.311) 3.828 14.389 ( -0.034 -0.677 -3.524) 3.589 14.407 ( -1.033 0.111 9.785) 9.840 14.498 ( 5.362 -2.860 -10.115) 11.800 14.674 ( -5.850 -3.695 0.728) 6.957 14.785 ( -6.612 2.491 -3.718) 7.984 14.831 ( -5.413 1.284 -2.331) 6.032 15.309 ( -0.456 0.914 0.904) 1.364 15.359 ( -1.555 0.418 2.341) 2.842 15.374 ( 0.754 3.158 -1.797) 3.711 15.454 ( -2.454 2.359 0.167) 3.408 15.520 ( 3.546 2.834 1.968) 4.947 15.683 ( 1.109 0.563 -2.176) 2.507 15.729 ( -2.363 2.401 -0.063) 3.369 15.810 ( -0.612 4.149 -7.161) 8.299 15.973 ( 4.535 3.483 3.380) 6.642 16.053 ( 3.261 0.176 3.222) 4.588 16.113 ( 0.564 0.005 0.004) 0.564 16.187 ( -1.076 -1.724 -3.283) 3.861 16.282 ( 2.178 0.112 7.359) 7.675 16.531 ( -2.436 -3.243 -1.323) 4.266 16.575 ( -2.783 -5.514 -0.528) 6.200 16.606 ( 2.132 -11.234 0.150) 11.436 17.598 ( 12.726 -1.677 2.881) 13.156 17.695 ( 4.439 -1.275 6.902) 8.305 17.760 ( 11.425 -2.844 -2.564) 12.049 17.921 ( -1.419 -3.950 1.522) 4.464 17.993 ( 0.260 -3.473 -0.737) 3.560 18.006 ( -1.066 -2.227 1.065) 2.688 18.070 ( -3.137 -2.366 -0.571) 3.970 18.125 ( -0.846 -0.034 -4.229) 4.313 18.382 ( 3.092 0.547 5.419) 6.263 18.585 ( 4.524 -1.942 -3.602) 6.100 18.666 ( -5.266 -2.247 3.561) 6.743 18.677 ( 1.720 -1.759 8.040) 8.408 18.891 ( -1.762 -6.500 -3.432) 7.559 19.010 ( -5.342 -13.651 14.907) 20.907 19.196 ( 2.027 -5.422 -8.794) 10.528 19.363 ( -3.861 -7.597 -1.728) 8.695 ======================= Grid point 52 (21/45) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -17.534 9.103 9.895) 22.096 1.241 ( 17.534 9.103 9.895) 22.096 1.283 ( -14.726 9.115 15.064) 22.954 1.283 ( 14.726 9.115 15.064) 22.954 1.817 ( -8.998 2.988 -16.685) 19.190 1.817 ( 8.998 2.988 -16.685) 19.190 2.025 ( -15.992 3.988 -15.343) 22.518 2.025 ( 15.992 3.988 -15.343) 22.518 2.308 ( -7.350 -0.055 6.612) 9.887 2.308 ( 7.350 -0.055 6.612) 9.887 2.342 ( -25.681 6.498 12.370) 29.236 2.342 ( 25.681 6.498 12.370) 29.236 2.514 ( -1.227 -0.081 6.337) 6.455 2.514 ( 1.227 -0.081 6.337) 6.455 2.606 ( -3.711 -3.889 8.869) 10.371 2.606 ( 3.711 -3.889 8.869) 10.371 2.749 ( -2.192 -1.677 2.500) 3.724 2.749 ( 2.192 -1.677 2.500) 3.724 2.830 ( -9.032 -2.609 0.577) 9.419 2.830 ( 9.032 -2.609 0.577) 9.419 2.903 ( -2.781 0.936 -0.387) 2.960 2.903 ( 2.781 0.936 -0.387) 2.960 3.082 ( -4.118 -3.564 -3.594) 6.525 3.082 ( 4.118 -3.564 -3.594) 6.525 3.187 ( -4.414 0.616 -2.877) 5.304 3.187 ( 4.414 0.616 -2.877) 5.304 3.218 ( -2.210 -3.140 -6.847) 7.850 3.218 ( 2.210 -3.140 -6.847) 7.850 3.291 ( -1.911 -3.357 -0.147) 3.865 3.291 ( 1.911 -3.357 -0.147) 3.865 3.342 ( -3.845 -1.064 3.933) 5.602 3.342 ( 3.845 -1.064 3.933) 5.602 3.404 ( -5.447 -0.265 -2.946) 6.198 3.404 ( 5.447 -0.265 -2.946) 6.198 3.506 ( -4.350 1.498 1.585) 4.866 3.506 ( 4.350 1.498 1.585) 4.866 3.632 ( -4.272 -1.322 0.957) 4.573 3.632 ( 4.272 -1.322 0.957) 4.573 3.679 ( -2.995 -0.864 2.194) 3.811 3.679 ( 2.995 -0.864 2.194) 3.811 3.804 ( -0.549 -0.988 -2.532) 2.773 3.804 ( 0.549 -0.988 -2.532) 2.773 3.894 ( -0.913 1.075 -0.647) 1.551 3.894 ( 0.913 1.075 -0.647) 1.551 3.986 ( -0.479 0.216 -1.909) 1.980 3.986 ( 0.479 0.216 -1.909) 1.980 4.031 ( -1.753 -2.808 -5.812) 6.688 4.031 ( 1.753 -2.808 -5.812) 6.688 4.066 ( -5.491 4.301 -4.228) 8.157 4.066 ( 5.491 4.301 -4.228) 8.157 4.161 ( -3.126 -4.482 -2.956) 6.213 4.161 ( 3.126 -4.482 -2.956) 6.213 4.436 ( -6.266 -3.359 -0.138) 7.111 4.436 ( 6.266 -3.359 -0.138) 7.111 4.489 ( -6.770 -2.186 -5.978) 9.293 4.489 ( 6.770 -2.186 -5.978) 9.293 4.785 ( -3.707 5.054 7.110) 9.478 4.785 ( 3.707 5.054 7.110) 9.478 4.979 ( -5.009 1.815 0.067) 5.328 4.979 ( 5.009 1.815 0.067) 5.328 5.052 ( -2.682 2.260 3.262) 4.790 5.052 ( 2.682 2.260 3.262) 4.790 5.174 ( -3.549 1.901 -0.668) 4.081 5.174 ( 3.549 1.901 -0.668) 4.081 5.447 ( -2.987 -4.906 2.691) 6.343 5.447 ( 2.987 -4.906 2.691) 6.343 5.481 ( -2.339 -6.507 2.642) 7.402 5.481 ( 2.339 -6.507 2.642) 7.402 5.844 ( -4.476 1.260 1.247) 4.814 5.844 ( 4.476 1.260 1.247) 4.814 5.967 ( -8.106 -5.966 -2.717) 10.425 5.967 ( 8.106 -5.966 -2.717) 10.425 7.616 ( -1.193 8.816 5.046) 10.228 7.616 ( 1.193 8.816 5.046) 10.228 7.690 ( -4.968 9.840 2.992) 11.422 7.690 ( 4.968 9.840 2.992) 11.422 7.927 ( -6.015 6.783 -1.931) 9.269 7.927 ( 6.015 6.783 -1.931) 9.269 8.108 ( -1.735 4.632 -7.793) 9.230 8.108 ( 1.735 4.632 -7.793) 9.230 8.461 ( -2.574 0.755 3.241) 4.207 8.461 ( 2.574 0.755 3.241) 4.207 8.638 ( -0.802 0.240 -1.548) 1.760 8.638 ( 0.802 0.240 -1.548) 1.760 8.766 ( -2.759 -2.075 3.260) 4.748 8.766 ( 2.759 -2.075 3.260) 4.748 8.821 ( -1.235 -2.052 3.000) 3.838 8.821 ( 1.235 -2.052 3.000) 3.838 8.933 ( -2.972 -0.826 -2.148) 3.759 8.933 ( 2.972 -0.826 -2.148) 3.759 9.089 ( -1.731 -0.998 -5.943) 6.270 9.089 ( 1.731 -0.998 -5.943) 6.270 9.232 ( -5.166 -2.219 -1.608) 5.848 9.232 ( 5.166 -2.219 -1.608) 5.848 9.270 ( -4.740 0.715 -4.587) 6.635 9.270 ( 4.740 0.715 -4.587) 6.635 9.522 ( -3.273 1.885 5.636) 6.784 9.522 ( 3.273 1.885 5.636) 6.784 9.681 ( -0.555 1.217 3.959) 4.179 9.681 ( 0.555 1.217 3.959) 4.179 9.755 ( -1.461 -0.641 -1.059) 1.915 9.755 ( 1.461 -0.641 -1.059) 1.915 9.909 ( -1.689 2.421 -3.808) 4.818 9.909 ( 1.689 2.421 -3.808) 4.818 10.077 ( -0.884 -1.406 3.110) 3.525 10.077 ( 0.884 -1.406 3.110) 3.525 10.179 ( -0.822 1.133 3.333) 3.615 10.179 ( 0.822 1.133 3.333) 3.615 10.223 ( -3.566 6.402 -2.390) 7.708 10.223 ( 3.566 6.402 -2.390) 7.708 10.369 ( -1.042 -2.961 -2.197) 3.832 10.369 ( 1.042 -2.961 -2.197) 3.832 10.504 ( -4.771 0.530 -0.340) 4.812 10.504 ( 4.771 0.530 -0.340) 4.812 10.613 ( -2.548 3.193 -2.310) 4.693 10.613 ( 2.548 3.193 -2.310) 4.693 11.046 ( -4.716 -4.840 -3.569) 7.642 11.046 ( 4.716 -4.840 -3.569) 7.642 11.104 ( -6.225 -1.600 -3.250) 7.202 11.104 ( 6.225 -1.600 -3.250) 7.202 11.473 ( -1.174 -0.345 6.926) 7.033 11.473 ( 1.174 -0.345 6.926) 7.033 11.744 ( -5.789 -1.434 -3.778) 7.060 11.744 ( 5.789 -1.434 -3.778) 7.060 11.974 ( -2.780 -1.546 2.283) 3.915 11.974 ( 2.780 -1.546 2.283) 3.915 12.020 ( -6.403 1.195 4.985) 8.202 12.020 ( 6.403 1.195 4.985) 8.202 12.144 ( -3.701 1.024 4.833) 6.172 12.144 ( 3.701 1.024 4.833) 6.172 12.449 ( -1.469 -1.274 -1.709) 2.589 12.449 ( 1.469 -1.274 -1.709) 2.589 12.856 ( -15.964 1.990 7.644) 17.811 12.856 ( 15.964 1.990 7.644) 17.811 13.177 ( -7.475 0.916 -4.820) 8.941 13.177 ( 7.475 0.916 -4.820) 8.941 13.302 ( -8.563 -0.706 1.902) 8.801 13.302 ( 8.563 -0.706 1.902) 8.801 13.692 ( -4.302 0.073 -13.178) 13.862 13.692 ( 4.302 0.073 -13.178) 13.862 14.061 ( -6.083 -0.961 6.742) 9.131 14.061 ( 6.083 -0.961 6.742) 9.131 14.384 ( -1.282 -0.422 1.729) 2.194 14.384 ( 1.282 -0.422 1.729) 2.194 14.610 ( -3.553 -2.398 -5.210) 6.747 14.610 ( 3.553 -2.398 -5.210) 6.747 14.724 ( -2.806 1.291 -2.552) 4.007 14.724 ( 2.806 1.291 -2.552) 4.007 15.318 ( -1.509 0.551 1.451) 2.165 15.318 ( 1.509 0.551 1.451) 2.165 15.405 ( -1.926 3.418 -1.640) 4.252 15.405 ( 1.926 3.418 -1.640) 4.252 15.602 ( -3.998 2.621 1.647) 5.056 15.602 ( 3.998 2.621 1.647) 5.056 15.786 ( -2.182 2.510 -6.758) 7.533 15.786 ( 2.182 2.510 -6.758) 7.533 16.060 ( -3.072 2.011 4.028) 5.451 16.060 ( 3.072 2.011 4.028) 5.451 16.140 ( -2.794 0.130 0.235) 2.806 16.140 ( 2.794 0.130 0.235) 2.806 16.381 ( -6.908 -3.839 4.038) 8.875 16.381 ( 6.908 -3.839 4.038) 8.875 16.607 ( -1.933 -3.797 -4.043) 5.874 16.607 ( 1.933 -3.797 -4.043) 5.874 17.795 ( -4.600 -2.119 7.212) 8.813 17.795 ( 4.600 -2.119 7.212) 8.813 17.855 ( -8.348 -2.407 2.765) 9.117 17.855 ( 8.348 -2.407 2.765) 9.117 17.974 ( -1.737 -4.847 -2.547) 5.745 17.974 ( 1.737 -4.847 -2.547) 5.745 18.084 ( -2.669 0.180 -4.035) 4.841 18.084 ( 2.669 0.180 -4.035) 4.841 18.504 ( -7.943 -0.791 3.867) 8.870 18.504 ( 7.943 -0.791 3.867) 8.870 18.685 ( -3.197 -2.108 -0.076) 3.830 18.685 ( 3.197 -2.108 -0.076) 3.830 18.898 ( -3.721 -8.780 5.992) 11.262 18.898 ( 3.721 -8.780 5.992) 11.262 19.269 ( -4.459 -6.118 -5.959) 9.634 19.269 ( 4.459 -6.118 -5.959) 9.634 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.000 19.223 8.880) 21.175 1.132 ( 0.000 18.232 13.311) 22.574 1.610 ( 0.000 8.766 -12.562) 15.318 1.755 ( 0.000 9.954 -15.291) 18.245 1.908 ( 0.000 21.987 13.622) 25.864 1.987 ( 0.000 7.827 11.340) 13.778 2.068 ( 0.000 -1.225 6.524) 6.638 2.118 ( 0.000 4.102 2.597) 4.855 2.206 ( 0.000 2.060 2.021) 2.886 2.264 ( 0.000 2.437 2.682) 3.624 2.277 ( 0.000 -5.435 -0.826) 5.497 2.329 ( 0.000 0.002 -1.151) 1.151 2.379 ( 0.000 -2.859 7.915) 8.416 2.436 ( 0.000 -5.282 2.074) 5.675 2.599 ( 0.000 5.138 -9.591) 10.880 2.605 ( 0.000 -3.631 7.996) 8.782 2.630 ( 0.000 -0.200 4.322) 4.327 2.741 ( 0.000 -1.224 -9.035) 9.117 2.792 ( 0.000 -0.123 -1.774) 1.779 2.804 ( 0.000 -1.707 -2.246) 2.821 2.930 ( 0.000 -3.122 0.569) 3.173 2.986 ( 0.000 1.309 -8.170) 8.274 3.002 ( 0.000 -3.413 -1.788) 3.853 3.049 ( 0.000 -5.970 0.123) 5.971 3.079 ( 0.000 -5.079 -0.273) 5.086 3.098 ( 0.000 0.085 -5.021) 5.021 3.125 ( 0.000 -7.235 -7.160) 10.179 3.144 ( 0.000 -8.012 1.872) 8.227 3.205 ( 0.000 -6.402 -2.086) 6.733 3.206 ( 0.000 0.616 7.415) 7.441 3.315 ( 0.000 -2.446 -4.550) 5.166 3.316 ( 0.000 -4.380 4.153) 6.036 3.368 ( 0.000 0.594 2.871) 2.932 3.435 ( 0.000 -7.916 3.751) 8.760 3.467 ( 0.000 0.408 3.786) 3.808 3.534 ( 0.000 -2.014 1.224) 2.357 3.612 ( 0.000 -5.349 -7.991) 9.616 3.646 ( 0.000 -6.549 0.510) 6.569 3.672 ( 0.000 2.491 1.746) 3.041 3.751 ( 0.000 -2.769 -4.833) 5.570 3.761 ( 0.000 -4.093 -0.734) 4.159 3.818 ( 0.000 3.836 3.441) 5.153 3.822 ( 0.000 0.238 -1.333) 1.354 3.904 ( 0.000 -7.032 -2.334) 7.409 3.968 ( 0.000 4.022 1.548) 4.310 3.971 ( 0.000 -0.508 3.686) 3.721 4.046 ( 0.000 1.385 2.074) 2.494 4.093 ( 0.000 2.648 -0.394) 2.677 4.137 ( 0.000 6.039 0.130) 6.041 4.182 ( 0.000 -1.687 -2.526) 3.038 4.232 ( 0.000 1.840 -0.533) 1.916 4.319 ( 0.000 2.685 -9.060) 9.449 4.420 ( 0.000 4.851 0.594) 4.888 4.503 ( 0.000 -6.261 9.382) 11.279 4.525 ( 0.000 7.510 -2.116) 7.802 4.630 ( 0.000 -1.344 0.217) 1.362 4.700 ( 0.000 2.822 0.449) 2.858 4.774 ( 0.000 2.090 -1.133) 2.378 4.886 ( 0.000 -4.600 -4.507) 6.440 4.973 ( 0.000 0.069 -6.935) 6.935 5.038 ( 0.000 -2.847 7.320) 7.854 5.103 ( 0.000 -2.184 4.496) 4.998 5.177 ( 0.000 -2.669 3.457) 4.367 5.214 ( 0.000 -1.426 -0.363) 1.472 5.281 ( 0.000 -0.319 5.628) 5.637 5.291 ( 0.000 0.259 -2.476) 2.489 5.321 ( 0.000 0.627 -0.875) 1.076 5.345 ( 0.000 -7.277 0.083) 7.278 5.608 ( 0.000 -1.381 3.266) 3.546 5.817 ( 0.000 4.755 -3.666) 6.004 5.940 ( 0.000 0.303 0.727) 0.788 5.961 ( 0.000 -10.234 -0.336) 10.240 7.817 ( 0.000 14.209 2.535) 14.434 7.849 ( 0.000 10.923 3.017) 11.332 7.911 ( 0.000 15.224 4.953) 16.009 7.981 ( 0.000 11.957 3.897) 12.576 8.000 ( 0.000 10.666 0.415) 10.674 8.150 ( 0.000 4.358 -3.579) 5.639 8.152 ( 0.000 5.722 -4.649) 7.373 8.227 ( 0.000 2.600 -4.066) 4.826 8.485 ( 0.000 3.193 1.978) 3.756 8.558 ( 0.000 -1.071 1.530) 1.868 8.608 ( 0.000 -2.352 2.158) 3.192 8.615 ( 0.000 -4.742 5.732) 7.439 8.635 ( 0.000 -0.864 2.155) 2.321 8.702 ( 0.000 -4.819 0.094) 4.820 8.719 ( 0.000 -3.628 1.405) 3.890 8.769 ( 0.000 2.367 0.067) 2.368 8.797 ( 0.000 -4.293 3.995) 5.864 8.991 ( 0.000 -2.698 -1.975) 3.344 9.043 ( 0.000 -3.061 -1.726) 3.514 9.051 ( 0.000 -2.738 -9.335) 9.728 9.084 ( 0.000 0.676 -7.901) 7.930 9.154 ( 0.000 -4.800 -12.201) 13.111 9.330 ( 0.000 -3.184 -0.582) 3.237 9.374 ( 0.000 -5.873 -0.393) 5.887 9.509 ( 0.000 7.167 1.974) 7.433 9.591 ( 0.000 0.540 3.221) 3.266 9.705 ( 0.000 -0.870 4.273) 4.360 9.708 ( 0.000 -1.457 -3.175) 3.494 9.837 ( 0.000 1.355 0.869) 1.610 9.911 ( 0.000 -1.769 -2.626) 3.167 9.926 ( 0.000 4.680 -3.178) 5.657 9.956 ( 0.000 -2.129 3.066) 3.733 10.059 ( 0.000 6.084 -2.743) 6.674 10.099 ( 0.000 -6.208 8.577) 10.588 10.130 ( 0.000 -1.432 -4.348) 4.578 10.171 ( 0.000 4.937 8.665) 9.973 10.244 ( 0.000 -1.220 0.095) 1.224 10.369 ( 0.000 -4.988 2.103) 5.414 10.386 ( 0.000 -3.660 3.175) 4.845 10.479 ( 0.000 10.705 4.765) 11.718 10.485 ( 0.000 0.544 8.961) 8.978 10.527 ( 0.000 -3.467 -1.155) 3.654 10.670 ( 0.000 -4.787 -4.560) 6.611 10.886 ( 0.000 3.339 -5.509) 6.442 10.897 ( 0.000 0.780 -11.867) 11.893 10.962 ( 0.000 -8.538 -4.607) 9.702 11.061 ( 0.000 3.326 -11.555) 12.024 11.228 ( 0.000 -7.009 -6.379) 9.477 11.427 ( 0.000 -2.635 0.218) 2.644 11.573 ( 0.000 -1.097 4.297) 4.435 11.586 ( 0.000 -2.203 -0.558) 2.272 11.678 ( 0.000 -5.465 13.724) 14.772 11.718 ( 0.000 2.166 0.692) 2.274 11.863 ( 0.000 -2.292 -2.332) 3.270 11.912 ( 0.000 5.166 -7.555) 9.153 12.059 ( 0.000 1.277 4.979) 5.140 12.171 ( 0.000 -0.654 -3.077) 3.146 12.233 ( 0.000 -0.628 10.131) 10.151 12.540 ( 0.000 1.110 -7.380) 7.463 12.542 ( 0.000 4.104 -2.897) 5.024 12.797 ( 0.000 11.066 -17.334) 20.565 12.880 ( 0.000 4.477 2.231) 5.002 13.141 ( 0.000 5.668 -10.384) 11.830 13.162 ( 0.000 5.543 -4.728) 7.286 13.370 ( 0.000 2.696 1.077) 2.903 13.407 ( 0.000 -5.022 7.891) 9.354 13.612 ( 0.000 -2.943 -11.319) 11.695 13.912 ( 0.000 -7.060 7.230) 10.105 13.978 ( 0.000 1.116 6.527) 6.621 14.219 ( 0.000 -3.556 -8.520) 9.232 14.243 ( 0.000 0.874 -3.804) 3.903 14.392 ( 0.000 -3.049 -4.002) 5.031 14.446 ( 0.000 0.182 12.642) 12.643 14.741 ( 0.000 -5.149 12.073) 13.125 14.861 ( 0.000 1.207 -5.531) 5.661 14.969 ( 0.000 1.323 -2.948) 3.232 15.350 ( 0.000 1.827 1.922) 2.652 15.392 ( 0.000 0.301 4.114) 4.125 15.431 ( 0.000 4.280 -0.125) 4.281 15.490 ( 0.000 3.745 1.722) 4.122 15.586 ( 0.000 1.422 -3.689) 3.953 15.630 ( 0.000 3.086 1.097) 3.275 15.868 ( 0.000 -6.637 15.061) 16.459 15.876 ( 0.000 0.202 -3.288) 3.294 15.932 ( 0.000 -4.074 7.459) 8.499 15.966 ( 0.000 5.086 -6.053) 7.906 16.063 ( 0.000 -1.735 -2.156) 2.767 16.162 ( 0.000 -3.899 3.587) 5.298 16.214 ( 0.000 5.890 -2.075) 6.245 16.331 ( 0.000 3.091 7.144) 7.784 16.469 ( 0.000 -9.994 -3.826) 10.702 16.549 ( 0.000 1.099 -2.598) 2.821 17.457 ( 0.000 2.323 1.992) 3.060 17.570 ( 0.000 1.660 -2.241) 2.788 17.645 ( 0.000 -0.265 5.758) 5.765 17.879 ( 0.000 -3.044 3.218) 4.430 17.913 ( 0.000 -3.842 -1.992) 4.327 17.972 ( 0.000 -1.724 2.635) 3.149 18.037 ( 0.000 -3.224 0.002) 3.224 18.139 ( 0.000 0.400 -4.567) 4.585 18.382 ( 0.000 1.623 5.142) 5.392 18.539 ( 0.000 0.334 -1.713) 1.745 18.582 ( 0.000 -3.066 7.344) 7.958 18.675 ( 0.000 -2.450 1.334) 2.790 18.770 ( 0.000 -7.761 -2.165) 8.058 18.826 ( 0.000 -7.872 10.348) 13.002 19.021 ( 0.000 -9.395 -7.227) 11.853 19.192 ( 0.000 -11.674 -2.056) 11.854 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 8.425 16.105 12.681) 22.163 1.264 ( 14.023 17.004 9.413) 23.966 1.737 ( -8.424 6.165 4.970) 11.562 1.773 ( 7.937 8.281 -7.444) 13.674 1.805 ( -6.774 9.666 -1.630) 11.915 1.843 ( -1.869 8.983 -5.072) 10.484 2.028 ( 2.303 11.627 1.523) 11.950 2.160 ( 7.026 9.371 8.536) 14.492 2.210 ( -1.089 2.960 -2.548) 4.055 2.319 ( 1.837 -2.671 -2.623) 4.170 2.331 ( -1.482 -2.894 6.306) 7.095 2.376 ( 3.450 -2.847 5.019) 6.723 2.435 ( 9.098 -2.317 4.826) 10.556 2.521 ( 4.140 0.288 1.550) 4.430 2.585 ( -2.059 2.201 2.261) 3.768 2.609 ( -0.832 -1.446 2.959) 3.397 2.667 ( 3.286 -2.181 1.701) 4.295 2.734 ( -1.531 -1.216 -3.312) 3.846 2.761 ( -3.243 -1.068 -0.878) 3.526 2.820 ( 0.800 -3.345 -5.462) 6.455 2.884 ( 3.557 -2.589 -0.033) 4.400 2.969 ( -4.305 -1.486 -1.457) 4.782 2.990 ( -3.657 -7.248 -3.774) 8.953 3.019 ( -0.810 -3.368 -1.329) 3.710 3.093 ( -1.470 -5.120 -0.630) 5.364 3.098 ( -2.714 -8.310 -3.702) 9.493 3.156 ( 4.739 -5.815 -2.345) 7.859 3.162 ( -1.937 -2.439 -1.075) 3.295 3.187 ( 3.103 -3.293 -1.920) 4.915 3.222 ( 3.639 -1.428 -0.331) 3.923 3.311 ( 0.389 0.921 0.857) 1.317 3.329 ( -0.864 -4.415 3.820) 5.902 3.435 ( -5.210 -0.331 3.467) 6.267 3.450 ( 2.941 -0.954 -1.231) 3.328 3.489 ( 1.302 -2.459 2.479) 3.727 3.502 ( 3.765 -2.115 2.803) 5.148 3.562 ( -5.451 -3.610 -1.434) 6.694 3.612 ( -0.968 -3.360 2.600) 4.357 3.624 ( -1.879 -1.576 0.497) 2.503 3.741 ( -1.675 -1.993 0.099) 2.606 3.759 ( -1.280 -1.867 -1.655) 2.803 3.777 ( 2.709 1.819 0.019) 3.263 3.831 ( -1.047 -3.210 -2.107) 3.980 3.910 ( -1.288 0.361 1.561) 2.056 3.957 ( 2.192 -0.547 0.468) 2.307 4.030 ( -1.646 1.919 2.780) 3.758 4.043 ( 2.895 1.984 2.175) 4.129 4.091 ( -1.409 2.708 -1.067) 3.234 4.112 ( -3.295 2.609 -3.204) 5.285 4.154 ( -2.641 5.338 -5.663) 8.218 4.191 ( -2.849 2.851 -3.092) 5.080 4.272 ( -1.190 -0.736 -4.081) 4.315 4.375 ( -3.239 4.616 -4.400) 7.153 4.415 ( -4.256 5.228 -5.490) 8.694 4.472 ( -1.992 -6.652 0.780) 6.987 4.549 ( -6.104 -0.541 -4.845) 7.812 4.797 ( 4.088 3.767 2.740) 6.198 4.823 ( 6.689 0.797 2.678) 7.249 4.894 ( 1.294 -2.259 5.351) 5.951 5.053 ( -1.300 -1.265 2.892) 3.414 5.080 ( 2.024 -0.781 1.186) 2.472 5.128 ( 3.096 -3.303 4.331) 6.265 5.161 ( -4.178 1.447 2.001) 4.853 5.230 ( 0.552 -2.506 0.321) 2.586 5.232 ( 3.356 -4.297 -1.314) 5.608 5.293 ( 2.102 -4.600 -0.545) 5.087 5.348 ( -0.319 -5.664 1.103) 5.780 5.383 ( 1.545 0.226 0.423) 1.617 5.681 ( 6.015 -3.649 2.102) 7.342 5.838 ( 1.992 3.738 -3.378) 5.417 5.919 ( -3.810 -9.647 0.024) 10.372 5.931 ( -1.003 1.199 -0.190) 1.575 7.812 ( -0.230 11.994 2.966) 12.357 7.842 ( -0.919 9.865 4.059) 10.707 7.904 ( 0.389 14.718 1.859) 14.840 7.969 ( -1.067 11.915 2.823) 12.291 8.051 ( 3.400 12.367 0.988) 12.864 8.135 ( -0.803 6.135 -3.186) 6.959 8.167 ( 1.192 5.261 -3.449) 6.403 8.229 ( -0.416 3.200 -3.396) 4.684 8.480 ( -0.207 3.079 2.206) 3.793 8.529 ( -2.309 0.160 2.566) 3.456 8.594 ( 0.971 -2.618 0.833) 2.914 8.646 ( 0.479 -0.516 1.650) 1.794 8.656 ( 2.022 -3.549 4.060) 5.759 8.733 ( 1.741 -2.034 0.696) 2.767 8.754 ( 2.252 -5.154 -0.235) 5.629 8.780 ( -0.529 -4.027 3.504) 5.364 8.797 ( 2.201 -0.309 1.443) 2.650 9.006 ( -3.973 -1.241 -4.915) 6.440 9.022 ( 2.336 -0.721 -1.628) 2.937 9.057 ( 0.603 -3.517 -5.870) 6.870 9.099 ( 2.821 -3.354 -6.203) 7.595 9.126 ( -1.669 -4.277 -10.607) 11.557 9.287 ( -4.037 -4.155 -0.878) 5.859 9.337 ( -3.840 -5.622 -1.074) 6.892 9.532 ( 2.100 6.073 2.139) 6.772 9.594 ( 0.182 0.725 2.643) 2.746 9.677 ( -0.848 -0.408 -0.623) 1.129 9.728 ( 0.364 0.187 3.435) 3.460 9.806 ( -2.602 0.439 -1.253) 2.921 9.864 ( -3.089 3.194 1.712) 4.762 9.911 ( -0.767 0.214 -2.263) 2.399 9.976 ( 0.150 2.566 -2.965) 3.925 10.076 ( -0.111 -0.971 -1.254) 1.590 10.096 ( 0.197 -2.245 5.499) 5.943 10.119 ( 0.518 -0.514 4.593) 4.650 10.170 ( 0.749 1.206 1.335) 1.949 10.220 ( -2.633 0.403 3.857) 4.688 10.310 ( -2.256 -3.148 0.395) 3.892 10.343 ( -2.677 -2.196 -0.323) 3.478 10.462 ( 0.752 6.099 5.082) 7.974 10.505 ( 1.379 4.687 3.507) 6.013 10.607 ( 1.153 -4.518 -0.740) 4.721 10.673 ( -2.437 -1.295 1.054) 2.954 10.771 ( -4.589 2.492 -11.725) 12.835 10.918 ( 1.006 -2.369 -5.418) 5.999 10.956 ( -1.670 0.087 -5.510) 5.758 10.986 ( 1.556 -2.430 -6.182) 6.822 11.272 ( -6.758 3.843 -11.755) 14.093 11.438 ( 3.859 -4.057 2.850) 6.283 11.525 ( -4.053 -0.240 4.335) 5.939 11.587 ( 2.337 -2.643 -1.342) 3.774 11.735 ( 4.990 -2.500 2.257) 6.020 11.836 ( 8.466 -0.045 6.211) 10.500 11.854 ( -1.123 -2.805 -0.983) 3.177 12.026 ( 7.708 1.158 -0.716) 7.828 12.043 ( -0.881 1.053 4.689) 4.886 12.169 ( -0.813 0.913 -1.405) 1.862 12.187 ( -3.224 -0.911 8.986) 9.590 12.466 ( -4.487 -0.128 -2.251) 5.022 12.484 ( -5.120 2.873 -3.858) 7.026 12.748 ( 2.076 7.788 -1.486) 8.196 12.974 ( 8.403 2.442 1.479) 8.875 13.149 ( -0.320 2.772 -7.865) 8.345 13.212 ( -4.343 3.433 2.053) 5.904 13.332 ( -1.795 1.630 0.955) 2.606 13.383 ( -1.762 -2.455 3.699) 4.776 13.614 ( -0.163 -2.997 -9.294) 9.766 13.754 ( -3.421 -0.882 -8.622) 9.318 13.983 ( -0.432 -1.493 10.219) 10.337 14.171 ( -4.723 -1.926 -0.290) 5.109 14.371 ( 1.203 -0.953 -4.265) 4.533 14.414 ( -0.018 0.290 10.967) 10.971 14.442 ( 5.425 -2.272 -7.810) 9.777 14.591 ( -5.949 -4.050 5.359) 8.973 14.832 ( -5.593 1.870 -4.866) 7.645 14.852 ( -6.680 0.596 -3.391) 7.515 15.338 ( -0.701 1.722 2.162) 2.852 15.371 ( -1.591 0.731 3.506) 3.919 15.455 ( 1.447 4.407 -2.622) 5.328 15.514 ( -0.371 3.399 -0.611) 3.474 15.595 ( 2.949 4.040 1.058) 5.112 15.699 ( 1.499 0.778 -1.565) 2.303 15.766 ( 0.196 0.981 2.141) 2.363 15.902 ( -1.069 3.694 -6.524) 7.573 15.982 ( 3.018 -4.375 2.615) 5.924 16.037 ( 5.025 0.344 3.172) 5.953 16.126 ( 0.134 -3.437 1.739) 3.854 16.169 ( 1.141 2.975 2.881) 4.295 16.306 ( 0.209 1.907 6.841) 7.105 16.378 ( 6.134 -4.844 -2.095) 8.092 16.410 ( -0.749 -5.533 -1.158) 5.702 16.558 ( 0.296 -0.065 -3.070) 3.085 17.569 ( 9.036 -0.769 2.061) 9.300 17.664 ( 4.535 -1.250 2.501) 5.328 17.703 ( 7.740 -2.453 1.012) 8.182 17.841 ( -3.295 -2.984 6.051) 7.509 17.903 ( -1.736 -5.007 -2.204) 5.739 17.959 ( -2.659 -3.016 1.913) 4.452 18.034 ( 1.185 -0.782 -2.052) 2.495 18.125 ( -1.355 -0.145 -4.720) 4.913 18.402 ( 2.422 1.567 4.291) 5.170 18.547 ( 1.791 -1.518 -1.206) 2.639 18.618 ( -4.975 -1.967 1.668) 5.604 18.630 ( 3.252 -2.505 6.671) 7.833 18.733 ( -3.107 -7.914 -2.340) 8.818 18.803 ( -2.345 -7.099 10.476) 12.870 19.043 ( 2.126 -9.114 -7.469) 11.974 19.166 ( -2.338 -10.829 -3.193) 11.530 ======================= Grid point 57 (24/45) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -12.125 11.339 12.728) 20.919 1.457 ( 12.125 11.339 12.728) 20.919 1.539 ( -10.391 14.849 8.532) 20.031 1.539 ( 10.391 14.849 8.532) 20.031 1.914 ( -6.936 6.545 -11.161) 14.680 1.914 ( 6.936 6.545 -11.161) 14.680 2.128 ( -12.398 5.407 -12.148) 18.180 2.128 ( 12.398 5.407 -12.148) 18.180 2.287 ( -2.163 -1.609 5.995) 6.573 2.287 ( 2.163 -1.609 5.995) 6.573 2.452 ( -2.231 0.805 7.835) 8.187 2.452 ( 2.231 0.805 7.835) 8.187 2.521 ( -3.193 0.438 4.904) 5.868 2.521 ( 3.193 0.438 4.904) 5.868 2.580 ( -9.855 3.704 5.855) 12.047 2.580 ( 9.855 3.704 5.855) 12.047 2.699 ( -5.930 -3.361 -0.088) 6.817 2.699 ( 5.930 -3.361 -0.088) 6.817 2.770 ( -5.467 -2.738 -2.667) 6.670 2.770 ( 5.467 -2.738 -2.667) 6.670 2.873 ( -4.270 -4.315 -2.580) 6.596 2.873 ( 4.270 -4.315 -2.580) 6.596 2.996 ( -2.140 -3.783 -5.523) 7.028 2.996 ( 2.140 -3.783 -5.523) 7.028 3.090 ( -3.478 -7.087 0.761) 7.931 3.090 ( 3.478 -7.087 0.761) 7.931 3.170 ( -4.845 -2.941 -0.077) 5.668 3.170 ( 4.845 -2.941 -0.077) 5.668 3.237 ( -1.451 -3.749 -0.685) 4.078 3.237 ( 1.451 -3.749 -0.685) 4.078 3.335 ( -0.763 -1.210 4.155) 4.394 3.335 ( 0.763 -1.210 4.155) 4.394 3.380 ( -6.222 -0.751 -1.032) 6.351 3.380 ( 6.222 -0.751 -1.032) 6.351 3.515 ( -0.664 -1.239 -0.343) 1.447 3.515 ( 0.664 -1.239 -0.343) 1.447 3.611 ( -0.443 -3.645 2.111) 4.236 3.611 ( 0.443 -3.645 2.111) 4.236 3.637 ( -6.324 -0.736 2.435) 6.817 3.637 ( 6.324 -0.736 2.435) 6.817 3.772 ( -2.758 -0.246 1.045) 2.960 3.772 ( 2.758 -0.246 1.045) 2.960 3.882 ( -3.441 -1.326 -0.846) 3.783 3.882 ( 3.441 -1.326 -0.846) 3.783 3.985 ( -1.563 3.246 0.503) 3.637 3.985 ( 1.563 3.246 0.503) 3.637 4.073 ( -0.785 -0.571 -2.648) 2.820 4.073 ( 0.785 -0.571 -2.648) 2.820 4.095 ( -0.874 3.853 -5.489) 6.763 4.095 ( 0.874 3.853 -5.489) 6.763 4.182 ( -4.045 5.012 -3.065) 7.133 4.182 ( 4.045 5.012 -3.065) 7.133 4.383 ( -2.716 -1.143 -4.215) 5.143 4.383 ( 2.716 -1.143 -4.215) 5.143 4.453 ( -3.062 -0.284 -8.125) 8.688 4.453 ( 3.062 -0.284 -8.125) 8.688 4.879 ( -2.375 2.751 8.353) 9.110 4.879 ( 2.375 2.751 8.353) 9.110 4.981 ( -6.322 -1.675 4.203) 7.774 4.981 ( 6.322 -1.675 4.203) 7.774 5.086 ( -1.876 -0.629 2.817) 3.443 5.086 ( 1.876 -0.629 2.817) 3.443 5.183 ( -2.506 -1.721 0.411) 3.068 5.183 ( 2.506 -1.721 0.411) 3.068 5.312 ( -2.895 -7.216 1.528) 7.923 5.312 ( 2.895 -7.216 1.528) 7.923 5.382 ( -2.454 -1.924 -2.110) 3.765 5.382 ( 2.454 -1.924 -2.110) 3.765 5.810 ( -5.726 -7.196 0.951) 9.245 5.810 ( 5.726 -7.196 0.951) 9.245 5.894 ( -2.405 2.326 -1.924) 3.859 5.894 ( 2.405 2.326 -1.924) 3.859 7.818 ( -0.885 9.829 3.734) 10.552 7.818 ( 0.885 9.829 3.734) 10.552 7.934 ( -1.960 13.184 1.187) 13.382 7.934 ( 1.960 13.184 1.187) 13.382 8.111 ( -1.883 10.331 -0.427) 10.509 8.111 ( 1.883 10.331 -0.427) 10.509 8.201 ( -1.899 4.298 -3.006) 5.578 8.201 ( 1.899 4.298 -3.006) 5.578 8.490 ( -1.238 2.116 1.961) 3.140 8.490 ( 1.238 2.116 1.961) 3.140 8.628 ( -1.675 -1.697 1.124) 2.636 8.628 ( 1.675 -1.697 1.124) 2.636 8.716 ( -3.155 -2.230 1.861) 4.289 8.716 ( 3.155 -2.230 1.861) 4.289 8.772 ( -0.862 -2.620 2.019) 3.418 8.772 ( 0.862 -2.620 2.019) 3.418 8.898 ( -5.573 -2.677 -1.145) 6.288 8.898 ( 5.573 -2.677 -1.145) 6.288 9.060 ( -0.821 -2.060 -7.582) 7.900 9.060 ( 0.821 -2.060 -7.582) 7.900 9.146 ( -3.735 -4.823 -2.253) 6.503 9.146 ( 3.735 -4.823 -2.253) 6.503 9.233 ( -4.097 -4.953 -3.352) 7.250 9.233 ( 4.097 -4.953 -3.352) 7.250 9.579 ( -1.815 2.809 2.503) 4.177 9.579 ( 1.815 2.809 2.503) 4.177 9.695 ( -2.535 1.404 0.807) 3.008 9.695 ( 2.535 1.404 0.807) 3.008 9.799 ( -2.364 2.259 1.681) 3.677 9.799 ( 2.364 2.259 1.681) 3.677 9.935 ( -2.875 0.801 -3.057) 4.272 9.935 ( 2.875 0.801 -3.057) 4.272 10.072 ( -1.489 0.849 3.850) 4.214 10.072 ( 1.489 0.849 3.850) 4.214 10.152 ( -2.863 -2.659 5.510) 6.755 10.152 ( 2.863 -2.659 5.510) 6.755 10.271 ( -3.673 -1.496 -1.700) 4.315 10.271 ( 3.673 -1.496 -1.700) 4.315 10.367 ( -6.968 1.925 -2.576) 7.674 10.367 ( 6.968 1.925 -2.576) 7.674 10.549 ( -3.214 2.880 1.156) 4.468 10.549 ( 3.214 2.880 1.156) 4.468 10.706 ( -4.844 3.680 -2.329) 6.514 10.706 ( 4.844 3.680 -2.329) 6.514 10.937 ( -2.072 -4.615 -5.377) 7.383 10.937 ( 2.072 -4.615 -5.377) 7.383 11.094 ( -8.267 2.401 -6.646) 10.875 11.094 ( 8.267 2.401 -6.646) 10.875 11.466 ( -1.095 -0.278 5.719) 5.830 11.466 ( 1.095 -0.278 5.719) 5.830 11.701 ( -6.105 -2.747 -4.655) 8.154 11.701 ( 6.105 -2.747 -4.655) 8.154 11.928 ( -4.217 -2.896 4.579) 6.866 11.928 ( 4.217 -2.896 4.579) 6.866 12.048 ( -5.520 1.502 5.901) 8.219 12.048 ( 5.520 1.502 5.901) 8.219 12.170 ( -2.695 1.193 1.905) 3.510 12.170 ( 2.695 1.193 1.905) 3.510 12.417 ( -0.634 -1.561 -1.602) 2.325 12.417 ( 0.634 -1.561 -1.602) 2.325 12.912 ( -12.426 3.330 7.228) 14.756 12.912 ( 12.426 3.330 7.228) 14.756 13.196 ( -9.279 0.604 -1.392) 9.402 13.196 ( 9.279 0.604 -1.392) 9.402 13.288 ( -6.230 -0.385 -1.028) 6.326 13.288 ( 6.230 -0.385 -1.028) 6.326 13.692 ( -4.878 -0.180 -13.799) 14.637 13.692 ( 4.878 -0.180 -13.799) 14.637 14.032 ( -5.899 -1.694 7.572) 9.747 14.032 ( 5.899 -1.694 7.572) 9.747 14.377 ( -1.288 -0.131 4.682) 4.857 14.377 ( 1.288 -0.131 4.682) 4.857 14.554 ( -1.590 -2.803 -6.365) 7.135 14.554 ( 1.590 -2.803 -6.365) 7.135 14.752 ( -1.508 1.201 -3.621) 4.102 14.752 ( 1.508 1.201 -3.621) 4.102 15.339 ( -0.963 1.321 2.644) 3.108 15.339 ( 0.963 1.321 2.644) 3.108 15.487 ( -1.588 4.341 -2.854) 5.432 15.487 ( 1.588 4.341 -2.854) 5.432 15.662 ( -2.739 2.775 2.203) 4.478 15.662 ( 2.739 2.775 2.203) 4.478 15.846 ( -4.039 2.955 -6.324) 8.065 15.846 ( 4.039 2.955 -6.324) 8.065 16.054 ( -3.160 -2.888 3.761) 5.699 16.054 ( 3.160 -2.888 3.761) 5.699 16.162 ( -3.277 1.071 1.553) 3.781 16.162 ( 3.277 1.071 1.553) 3.781 16.314 ( -2.400 -1.193 4.211) 4.991 16.314 ( 2.400 -1.193 4.211) 4.991 16.537 ( -3.176 -2.331 -3.349) 5.171 16.537 ( 3.176 -2.331 -3.349) 5.171 17.735 ( -3.099 -3.355 4.100) 6.137 17.735 ( 3.099 -3.355 4.100) 6.137 17.793 ( -5.648 -3.681 2.600) 7.226 17.793 ( 5.648 -3.681 2.600) 7.226 17.875 ( -5.190 -4.023 0.327) 6.575 17.875 ( 5.190 -4.023 0.327) 6.575 18.082 ( -2.567 -0.324 -4.652) 5.324 18.082 ( 2.567 -0.324 -4.652) 5.324 18.494 ( -5.891 0.060 2.557) 6.422 18.494 ( 5.891 0.060 2.557) 6.422 18.621 ( -4.432 -3.891 -1.551) 6.098 18.621 ( 4.432 -3.891 -1.551) 6.098 18.733 ( -3.710 -6.259 7.895) 10.736 18.733 ( 3.710 -6.259 7.895) 10.736 19.104 ( -3.272 -9.466 -5.694) 11.521 19.104 ( 3.272 -9.466 -5.694) 11.521 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.000 17.518 4.457) 18.076 1.485 ( 0.000 15.886 10.621) 19.109 1.798 ( 0.000 9.118 -8.347) 12.361 1.946 ( 0.000 -2.705 0.115) 2.707 1.982 ( 0.000 -7.384 9.221) 11.813 1.996 ( 0.000 10.492 -8.688) 13.622 2.134 ( 0.000 -5.371 -5.032) 7.360 2.223 ( 0.000 4.250 4.138) 5.931 2.269 ( 0.000 1.714 0.621) 1.823 2.284 ( 0.000 2.441 5.497) 6.014 2.327 ( 0.000 0.442 7.308) 7.322 2.381 ( 0.000 3.816 0.612) 3.865 2.396 ( 0.000 8.912 2.258) 9.194 2.513 ( 0.000 14.829 4.730) 15.565 2.583 ( 0.000 4.794 8.974) 10.175 2.585 ( 0.000 -4.117 -4.535) 6.125 2.624 ( 0.000 -5.678 -1.273) 5.819 2.696 ( 0.000 -3.315 -5.016) 6.013 2.732 ( 0.000 -8.135 -3.067) 8.694 2.768 ( 0.000 -2.072 -3.420) 3.998 2.825 ( 0.000 -3.778 -0.462) 3.806 2.892 ( 0.000 -3.443 0.700) 3.514 2.915 ( 0.000 -5.355 3.349) 6.316 2.925 ( 0.000 -5.717 -2.990) 6.452 2.994 ( 0.000 -3.871 -0.379) 3.890 3.026 ( 0.000 -2.610 -1.353) 2.939 3.042 ( 0.000 -5.746 0.020) 5.746 3.111 ( 0.000 1.690 -1.012) 1.970 3.115 ( 0.000 2.420 -6.686) 7.111 3.151 ( 0.000 -10.664 5.653) 12.070 3.217 ( 0.000 -0.652 4.131) 4.182 3.267 ( 0.000 -2.070 -0.554) 2.142 3.339 ( 0.000 -3.290 -3.963) 5.151 3.384 ( 0.000 0.354 3.760) 3.777 3.459 ( 0.000 -5.033 -0.443) 5.053 3.470 ( 0.000 -3.907 -4.599) 6.034 3.502 ( 0.000 -0.086 -5.030) 5.031 3.547 ( 0.000 -2.049 3.168) 3.773 3.681 ( 0.000 -2.883 -1.938) 3.474 3.690 ( 0.000 -1.725 -1.595) 2.350 3.703 ( 0.000 -0.911 0.516) 1.047 3.783 ( 0.000 -3.593 -0.018) 3.593 3.873 ( 0.000 -1.193 -0.884) 1.485 3.886 ( 0.000 -2.917 -0.979) 3.077 3.961 ( 0.000 8.873 1.923) 9.079 4.043 ( 0.000 0.823 4.471) 4.546 4.053 ( 0.000 4.104 5.422) 6.800 4.145 ( 0.000 2.206 0.905) 2.385 4.236 ( 0.000 5.394 1.404) 5.573 4.273 ( 0.000 5.801 2.723) 6.408 4.321 ( 0.000 4.346 2.276) 4.906 4.328 ( 0.000 -3.269 -5.354) 6.273 4.402 ( 0.000 -0.574 7.013) 7.036 4.440 ( 0.000 1.793 5.575) 5.857 4.700 ( 0.000 5.461 -5.364) 7.655 4.703 ( 0.000 4.424 -2.414) 5.040 4.747 ( 0.000 -3.911 0.706) 3.974 4.795 ( 0.000 -1.417 -3.424) 3.706 4.798 ( 0.000 3.506 -2.906) 4.554 4.946 ( 0.000 0.059 -5.470) 5.470 5.017 ( 0.000 -4.876 -1.220) 5.027 5.023 ( 0.000 -5.138 -0.319) 5.148 5.095 ( 0.000 -1.928 -2.960) 3.532 5.107 ( 0.000 -6.795 0.953) 6.862 5.209 ( 0.000 -4.584 2.900) 5.424 5.240 ( 0.000 -3.299 -2.750) 4.295 5.284 ( 0.000 -0.421 0.674) 0.794 5.340 ( 0.000 -0.359 -3.531) 3.549 5.614 ( 0.000 2.204 8.629) 8.906 5.786 ( 0.000 -6.324 5.092) 8.119 5.908 ( 0.000 3.705 -3.801) 5.307 5.960 ( 0.000 0.842 -2.201) 2.356 8.029 ( 0.000 8.332 5.668) 10.077 8.057 ( 0.000 7.114 4.901) 8.639 8.129 ( 0.000 3.532 3.281) 4.820 8.159 ( 0.000 4.635 2.196) 5.129 8.254 ( 0.000 12.433 -1.854) 12.570 8.268 ( 0.000 6.267 -2.741) 6.840 8.307 ( 0.000 6.662 -3.631) 7.587 8.337 ( 0.000 10.771 -1.735) 10.910 8.515 ( 0.000 -4.110 3.828) 5.616 8.524 ( 0.000 -5.092 1.997) 5.469 8.529 ( 0.000 -1.099 1.414) 1.791 8.585 ( 0.000 -4.499 1.376) 4.705 8.595 ( 0.000 6.013 0.673) 6.051 8.643 ( 0.000 0.565 0.150) 0.585 8.695 ( 0.000 1.109 0.365) 1.168 8.741 ( 0.000 0.397 3.688) 3.710 8.838 ( 0.000 3.573 0.113) 3.575 8.864 ( 0.000 -7.283 0.890) 7.338 8.967 ( 0.000 -4.298 -10.442) 11.292 9.014 ( 0.000 -2.085 -2.333) 3.129 9.016 ( 0.000 -8.163 -10.998) 13.697 9.118 ( 0.000 1.978 -7.317) 7.580 9.210 ( 0.000 -9.431 0.886) 9.472 9.242 ( 0.000 -4.772 -0.878) 4.852 9.617 ( 0.000 2.831 2.709) 3.918 9.674 ( 0.000 3.817 -2.654) 4.649 9.686 ( 0.000 -0.785 3.537) 3.623 9.702 ( 0.000 4.110 -1.350) 4.326 9.847 ( 0.000 0.627 -0.795) 1.012 9.849 ( 0.000 -5.819 5.805) 8.220 9.892 ( 0.000 -3.527 -1.657) 3.897 10.005 ( 0.000 -3.143 2.912) 4.285 10.044 ( 0.000 6.124 2.414) 6.583 10.068 ( 0.000 -2.072 1.706) 2.683 10.167 ( 0.000 5.113 -1.969) 5.479 10.235 ( 0.000 -5.977 2.734) 6.572 10.256 ( 0.000 1.848 -4.241) 4.626 10.286 ( 0.000 -5.456 5.514) 7.757 10.296 ( 0.000 5.182 1.852) 5.503 10.429 ( 0.000 -4.490 -0.023) 4.490 10.549 ( 0.000 -3.216 -5.784) 6.618 10.558 ( 0.000 3.243 3.363) 4.672 10.727 ( 0.000 7.857 7.690) 10.994 10.786 ( 0.000 -6.367 -1.157) 6.471 10.919 ( 0.000 1.262 -9.248) 9.333 10.976 ( 0.000 3.815 -5.610) 6.784 11.031 ( 0.000 -2.524 1.538) 2.956 11.089 ( 0.000 -6.385 -7.892) 10.151 11.385 ( 0.000 -1.629 1.269) 2.065 11.499 ( 0.000 -6.085 14.486) 15.712 11.547 ( 0.000 -0.872 2.227) 2.391 11.591 ( 0.000 -2.393 5.508) 6.005 11.753 ( 0.000 1.194 -1.749) 2.118 11.811 ( 0.000 -2.248 -2.245) 3.177 12.018 ( 0.000 4.535 -6.140) 7.633 12.095 ( 0.000 2.260 6.908) 7.269 12.145 ( 0.000 -1.805 -3.160) 3.639 12.203 ( 0.000 -2.236 9.607) 9.863 12.570 ( 0.000 1.738 -7.769) 7.961 12.605 ( 0.000 1.605 -4.177) 4.475 12.943 ( 0.000 3.816 -12.686) 13.247 12.957 ( 0.000 2.750 0.379) 2.776 13.272 ( 0.000 4.055 -3.308) 5.233 13.290 ( 0.000 7.633 -13.809) 15.778 13.329 ( 0.000 -2.170 5.042) 5.490 13.422 ( 0.000 2.697 0.919) 2.849 13.549 ( 0.000 -2.573 -10.266) 10.584 13.751 ( 0.000 -8.426 3.893) 9.282 14.020 ( 0.000 2.706 4.441) 5.200 14.147 ( 0.000 -3.404 -2.944) 4.501 14.259 ( 0.000 0.895 -4.414) 4.504 14.332 ( 0.000 -2.744 -4.031) 4.876 14.468 ( 0.000 2.041 13.843) 13.992 14.629 ( 0.000 -5.416 16.012) 16.903 14.890 ( 0.000 1.718 -5.150) 5.429 14.969 ( 0.000 -1.206 -3.421) 3.627 15.385 ( 0.000 1.459 3.281) 3.591 15.401 ( 0.000 0.464 4.329) 4.354 15.523 ( 0.000 4.471 0.276) 4.480 15.582 ( 0.000 5.201 0.385) 5.216 15.606 ( 0.000 0.474 -3.180) 3.215 15.688 ( 0.000 2.703 -0.771) 2.811 15.785 ( 0.000 -1.535 12.461) 12.555 15.834 ( 0.000 -5.534 1.126) 5.647 15.860 ( 0.000 -1.309 0.113) 1.314 15.915 ( 0.000 -7.688 -2.323) 8.031 16.071 ( 0.000 4.562 -7.391) 8.685 16.185 ( 0.000 0.188 -1.451) 1.463 16.341 ( 0.000 -0.479 -2.555) 2.600 16.378 ( 0.000 1.081 5.967) 6.064 16.379 ( 0.000 7.133 -2.047) 7.421 16.556 ( 0.000 -0.774 -2.006) 2.150 17.521 ( 0.000 3.803 1.212) 3.992 17.612 ( 0.000 2.574 -1.991) 3.254 17.635 ( 0.000 -1.000 2.865) 3.035 17.804 ( 0.000 -5.682 0.885) 5.750 17.844 ( 0.000 -0.826 1.550) 1.756 17.927 ( 0.000 -2.720 3.952) 4.797 18.016 ( 0.000 1.058 -1.218) 1.614 18.124 ( 0.000 -2.093 -3.568) 4.137 18.434 ( 0.000 3.886 2.471) 4.604 18.523 ( 0.000 -2.332 4.365) 4.949 18.544 ( 0.000 -0.357 -1.774) 1.810 18.638 ( 0.000 -3.167 0.876) 3.286 18.674 ( 0.000 2.262 -0.375) 2.293 18.695 ( 0.000 -5.526 4.212) 6.948 18.814 ( 0.000 -10.185 -3.532) 10.780 18.961 ( 0.000 -10.454 -2.723) 10.803 ======================= Grid point 61 (26/45) ======================= q-point: ( 0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 5.121 13.733 11.387) 18.561 1.605 ( 11.722 15.655 5.701) 20.371 1.832 ( -5.830 1.954 9.239) 11.098 1.942 ( 9.634 8.026 -6.847) 14.287 2.025 ( -0.445 9.246 -2.190) 9.513 2.057 ( -1.699 8.415 -3.576) 9.300 2.098 ( 0.640 1.266 5.936) 6.103 2.219 ( -1.661 1.501 -1.241) 2.560 2.233 ( 6.214 -4.396 -3.876) 8.542 2.291 ( 0.646 2.732 0.816) 2.923 2.306 ( -0.933 -1.457 3.241) 3.674 2.397 ( 5.190 -1.202 0.454) 5.347 2.489 ( 0.836 1.005 2.638) 2.944 2.556 ( 2.490 5.542 1.400) 6.235 2.585 ( 0.901 0.382 1.769) 2.022 2.622 ( 2.385 1.094 -1.830) 3.199 2.665 ( -0.620 1.620 1.277) 2.154 2.676 ( -2.402 -4.576 -2.113) 5.583 2.722 ( -5.043 -2.583 -4.548) 7.266 2.736 ( 3.056 -1.441 -0.846) 3.483 2.822 ( -0.302 -5.647 0.632) 5.691 2.840 ( -0.211 -3.219 0.590) 3.280 2.904 ( -6.510 -3.910 -1.970) 7.845 2.914 ( -1.515 -5.984 0.478) 6.191 2.961 ( 0.911 -4.612 0.261) 4.709 3.006 ( 1.611 -6.323 3.118) 7.232 3.032 ( 0.787 -0.415 1.765) 1.976 3.109 ( 1.493 -5.737 -2.406) 6.398 3.151 ( -5.915 -4.971 1.982) 7.976 3.155 ( 1.266 -0.405 -0.085) 1.332 3.212 ( 3.233 -4.401 0.584) 5.492 3.332 ( 1.358 0.986 1.207) 2.067 3.375 ( 4.910 -2.454 1.375) 5.659 3.430 ( -0.136 -4.129 1.611) 4.435 3.448 ( -0.928 0.220 -0.915) 1.321 3.471 ( -0.220 -0.939 1.128) 1.484 3.503 ( -4.479 -1.083 0.021) 4.608 3.518 ( 2.285 -2.954 -1.757) 4.128 3.551 ( -0.856 -5.618 -6.495) 8.631 3.629 ( -3.426 -5.405 -4.822) 8.013 3.799 ( 1.683 -0.155 1.475) 2.243 3.835 ( 3.790 3.020 2.550) 5.476 3.866 ( 1.337 3.964 -0.042) 4.184 3.953 ( 1.993 -0.911 3.200) 3.878 3.976 ( 0.755 8.216 2.784) 8.708 4.046 ( -0.767 2.206 0.602) 2.412 4.071 ( 2.750 -1.060 1.310) 3.226 4.145 ( 0.340 0.908 0.832) 1.277 4.150 ( -2.881 2.676 -0.323) 3.946 4.249 ( -3.088 3.782 -0.543) 4.912 4.305 ( -2.479 4.334 -0.917) 5.076 4.329 ( -1.572 4.579 -1.075) 4.959 4.362 ( 0.119 0.668 2.346) 2.442 4.456 ( -6.203 3.511 -2.519) 7.559 4.558 ( -4.473 6.909 -3.303) 8.869 4.602 ( -5.194 4.009 -7.565) 10.014 4.751 ( 3.266 -4.529 0.528) 5.609 4.823 ( 2.344 -4.345 5.079) 7.083 4.897 ( 2.212 1.164 -0.262) 2.513 4.962 ( 0.142 -4.734 0.930) 4.827 5.023 ( -3.227 -8.108 1.181) 8.806 5.049 ( 3.069 -2.952 -0.288) 4.268 5.065 ( 1.522 -4.680 0.644) 4.963 5.114 ( -4.168 -7.409 -0.684) 8.528 5.178 ( 0.158 -2.937 -1.625) 3.360 5.269 ( -0.454 -1.636 1.921) 2.563 5.280 ( 5.239 2.041 -5.431) 7.817 5.413 ( 2.308 1.445 -2.130) 3.457 5.637 ( 2.166 -0.201 7.220) 7.540 5.755 ( -2.642 -5.735 5.437) 8.333 5.915 ( 0.962 3.147 -4.070) 5.234 5.960 ( -0.189 1.125 -2.761) 2.988 8.006 ( -1.347 7.414 4.938) 9.009 8.025 ( -2.139 6.646 4.621) 8.373 8.154 ( 1.352 5.982 2.574) 6.651 8.165 ( 0.569 6.915 2.306) 7.312 8.265 ( -0.013 7.017 -2.289) 7.381 8.274 ( 0.808 7.484 -2.314) 7.875 8.325 ( 1.334 8.342 -2.248) 8.742 8.335 ( 0.088 9.852 -0.983) 9.901 8.495 ( 0.214 -3.422 3.192) 4.684 8.546 ( 0.936 -1.060 0.767) 1.609 8.573 ( 0.872 0.591 0.182) 1.069 8.583 ( 1.396 -0.371 2.190) 2.623 8.623 ( 2.616 -3.687 1.017) 4.634 8.666 ( 1.355 0.998 0.419) 1.734 8.691 ( 1.052 -0.897 0.139) 1.390 8.743 ( -0.691 0.431 3.306) 3.404 8.823 ( -0.933 2.062 -1.037) 2.489 8.892 ( 1.494 -7.273 0.881) 7.477 8.968 ( -0.168 -4.161 -8.419) 9.392 9.003 ( -0.895 -3.457 -3.433) 4.954 9.009 ( -0.589 -5.904 -10.599) 12.147 9.085 ( -1.278 0.767 -5.279) 5.485 9.166 ( -4.151 -8.792 -0.294) 9.727 9.200 ( -3.571 -4.930 -1.742) 6.332 9.620 ( 0.073 2.388 3.151) 3.954 9.637 ( -1.531 1.450 0.008) 2.109 9.709 ( 1.442 3.862 -0.058) 4.122 9.728 ( 2.275 0.879 1.676) 2.959 9.817 ( -2.404 1.240 -1.407) 3.049 9.854 ( -0.680 -4.938 6.103) 7.880 9.892 ( 0.523 -1.561 -0.937) 1.894 9.979 ( -2.866 -2.913 -0.917) 4.189 10.030 ( -0.427 0.376 3.078) 3.130 10.083 ( 2.191 1.135 5.272) 5.821 10.148 ( -2.906 0.526 1.447) 3.289 10.203 ( -1.495 1.484 0.576) 2.183 10.243 ( 0.605 -3.141 2.220) 3.894 10.278 ( -1.590 5.049 3.051) 6.110 10.324 ( 2.858 1.089 -2.324) 3.841 10.480 ( 5.003 -5.839 0.340) 7.697 10.554 ( -1.947 1.211 -1.507) 2.744 10.598 ( -0.411 2.094 2.300) 3.137 10.658 ( -4.610 0.750 5.826) 7.467 10.743 ( -2.868 -6.003 -6.199) 9.094 10.850 ( 0.389 1.582 -4.805) 5.073 10.965 ( -3.122 0.766 -4.336) 5.398 11.022 ( 5.433 4.023 -6.471) 9.358 11.301 ( 8.728 -4.061 -12.693) 15.930 11.378 ( 0.331 0.550 4.111) 4.161 11.480 ( 0.186 -3.279 8.189) 8.823 11.558 ( -0.791 -0.879 -0.202) 1.200 11.678 ( 6.769 -2.541 4.021) 8.273 11.814 ( -2.635 -0.826 -3.389) 4.372 11.835 ( 6.719 -0.222 6.422) 9.297 12.044 ( 4.052 0.355 -5.390) 6.752 12.072 ( -2.122 1.763 5.652) 6.289 12.158 ( -2.298 -1.630 8.737) 9.180 12.184 ( 2.118 0.500 0.157) 2.182 12.464 ( -7.189 -0.065 -5.383) 8.981 12.540 ( -7.314 2.021 -3.291) 8.271 12.895 ( -0.574 5.982 -1.964) 6.322 13.014 ( 5.512 1.167 2.307) 6.088 13.216 ( -6.537 3.011 -7.661) 10.511 13.255 ( -3.408 1.180 1.313) 3.838 13.331 ( -0.865 -0.926 -0.488) 1.358 13.401 ( -6.382 3.039 2.458) 7.484 13.552 ( 4.228 -2.946 -8.877) 10.265 13.708 ( 1.333 -3.102 -7.757) 8.460 13.965 ( -2.077 -0.375 7.890) 8.167 14.139 ( -5.239 -0.996 0.779) 5.389 14.356 ( 3.070 -0.398 -4.280) 5.282 14.390 ( 7.550 -1.796 -5.191) 9.337 14.428 ( -2.225 0.055 10.614) 10.845 14.523 ( -5.154 -2.222 7.627) 9.470 14.851 ( -5.379 -0.253 -5.101) 7.418 14.861 ( -6.424 0.728 -4.575) 7.920 15.371 ( -0.893 1.372 3.308) 3.691 15.386 ( -1.230 0.603 4.045) 4.270 15.545 ( 1.281 4.108 -2.560) 5.007 15.582 ( 0.409 2.855 -2.025) 3.524 15.666 ( 2.059 2.440 1.753) 3.643 15.714 ( 0.468 0.891 0.417) 1.090 15.779 ( 4.369 0.771 2.642) 5.163 15.899 ( 4.834 -2.711 1.282) 5.689 15.917 ( 1.708 -2.737 -1.457) 3.540 15.987 ( 4.093 -5.668 3.946) 8.028 16.069 ( 0.814 1.716 -4.150) 4.564 16.246 ( 3.453 -1.071 -1.729) 4.008 16.274 ( -3.830 1.581 1.853) 4.538 16.387 ( -0.533 1.894 3.931) 4.396 16.421 ( 4.317 4.533 -2.708) 6.820 16.554 ( -0.457 -0.791 -2.180) 2.364 17.575 ( 4.648 1.384 1.267) 5.012 17.651 ( 1.600 -0.866 2.314) 2.943 17.663 ( 3.959 -0.680 -1.191) 4.190 17.785 ( -1.836 -5.108 0.480) 5.449 17.812 ( -2.459 -0.809 4.153) 4.894 17.899 ( -2.843 -2.817 3.540) 5.343 18.032 ( 1.566 0.580 -3.132) 3.550 18.109 ( -1.335 -1.475 -4.174) 4.624 18.453 ( 1.849 3.450 1.994) 4.393 18.523 ( 0.366 -1.000 1.308) 1.687 18.568 ( 1.282 -3.236 1.054) 3.637 18.610 ( -4.017 0.019 0.162) 4.021 18.617 ( -1.350 -1.662 1.624) 2.687 18.693 ( -1.434 -3.804 5.616) 6.933 18.850 ( 2.842 -8.768 -4.896) 10.436 18.950 ( -1.157 -9.758 -3.265) 10.354 ======================= Grid point 62 (27/45) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -7.423 8.917 13.277) 17.632 1.674 ( 7.423 8.917 13.277) 17.632 1.847 ( -9.077 14.160 4.956) 17.535 1.847 ( 9.077 14.160 4.956) 17.535 2.064 ( -3.153 6.457 -2.289) 7.542 2.064 ( 3.153 6.457 -2.289) 7.542 2.212 ( -1.385 2.219 -3.047) 4.016 2.212 ( 1.385 2.219 -3.047) 4.016 2.287 ( -5.329 3.016 -4.488) 7.592 2.287 ( 5.329 3.016 -4.488) 7.592 2.406 ( -4.921 -3.644 2.452) 6.596 2.406 ( 4.921 -3.644 2.452) 6.596 2.546 ( -3.828 0.854 -0.826) 4.008 2.546 ( 3.828 0.854 -0.826) 4.008 2.575 ( -6.431 -4.921 -0.844) 8.142 2.575 ( 6.431 -4.921 -0.844) 8.142 2.651 ( -1.600 -2.704 -3.186) 4.474 2.651 ( 1.600 -2.704 -3.186) 4.474 2.723 ( -3.762 -1.178 -0.715) 4.006 2.723 ( 3.762 -1.178 -0.715) 4.006 2.821 ( -2.043 0.398 1.332) 2.472 2.821 ( 2.043 0.398 1.332) 2.472 2.890 ( -2.762 -5.071 -0.448) 5.792 2.890 ( 2.762 -5.071 -0.448) 5.792 2.988 ( -3.656 -3.804 2.527) 5.850 2.988 ( 3.656 -3.804 2.527) 5.850 3.069 ( -3.034 -6.523 1.858) 7.430 3.069 ( 3.034 -6.523 1.858) 7.430 3.136 ( -2.819 -4.583 3.707) 6.534 3.136 ( 2.819 -4.583 3.707) 6.534 3.314 ( -4.702 0.421 1.019) 4.829 3.314 ( 4.702 0.421 1.019) 4.829 3.368 ( -2.821 -0.602 1.809) 3.405 3.368 ( 2.821 -0.602 1.809) 3.405 3.463 ( -0.990 -3.023 -0.244) 3.190 3.463 ( 0.990 -3.023 -0.244) 3.190 3.536 ( -1.087 -2.788 -3.145) 4.341 3.536 ( 1.087 -2.788 -3.145) 4.341 3.573 ( -2.558 -3.724 -4.512) 6.385 3.573 ( 2.558 -3.724 -4.512) 6.385 3.853 ( -4.254 0.871 3.785) 5.760 3.853 ( 4.254 0.871 3.785) 5.760 3.899 ( -1.761 5.627 2.704) 6.486 3.899 ( 1.761 5.627 2.704) 6.486 4.041 ( -3.041 1.858 0.550) 3.606 4.041 ( 3.041 1.858 0.550) 3.606 4.109 ( -3.257 5.477 -0.459) 6.389 4.109 ( 3.257 5.477 -0.459) 6.389 4.203 ( -5.244 2.983 -2.902) 6.695 4.203 ( 5.244 2.983 -2.902) 6.695 4.241 ( -5.560 3.061 -0.346) 6.356 4.241 ( 5.560 3.061 -0.346) 6.356 4.381 ( -2.523 0.608 -3.867) 4.657 4.381 ( 2.523 0.608 -3.867) 4.657 4.528 ( -2.009 6.423 -8.447) 10.801 4.528 ( 2.009 6.423 -8.447) 10.801 4.838 ( -2.643 -5.505 6.907) 9.219 4.838 ( 2.643 -5.505 6.907) 9.219 4.918 ( -3.069 -5.324 1.791) 6.400 4.918 ( 3.069 -5.324 1.791) 6.400 5.025 ( -2.172 -5.623 2.175) 6.409 5.025 ( 2.172 -5.623 2.175) 6.409 5.094 ( -1.411 -4.272 -0.423) 4.518 5.094 ( 1.411 -4.272 -0.423) 4.518 5.212 ( -3.549 -1.812 1.199) 4.161 5.212 ( 3.549 -1.812 1.199) 4.161 5.399 ( -3.725 2.007 -4.994) 6.545 5.399 ( 3.725 2.007 -4.994) 6.545 5.693 ( -2.952 -3.663 6.189) 7.774 5.693 ( 2.952 -3.663 6.189) 7.774 5.944 ( -1.327 1.982 -3.744) 4.439 5.944 ( 1.327 1.982 -3.744) 4.439 7.995 ( -0.436 6.810 4.570) 8.212 7.995 ( 0.436 6.810 4.570) 8.212 8.170 ( -0.383 7.986 1.556) 8.145 8.170 ( 0.383 7.986 1.556) 8.145 8.272 ( -0.726 5.654 -1.389) 5.867 8.272 ( 0.726 5.654 -1.389) 5.867 8.341 ( -0.131 9.081 -0.876) 9.124 8.341 ( 0.131 9.081 -0.876) 9.124 8.525 ( -2.015 -0.170 0.552) 2.096 8.525 ( 2.015 -0.170 0.552) 2.096 8.596 ( -1.424 -0.255 1.083) 1.807 8.596 ( 1.424 -0.255 1.083) 1.807 8.674 ( -2.821 -2.297 0.132) 3.640 8.674 ( 2.821 -2.297 0.132) 3.640 8.728 ( -0.977 -0.361 2.425) 2.639 8.728 ( 0.977 -0.361 2.425) 2.639 8.839 ( -3.920 -2.269 -0.470) 4.553 8.839 ( 3.920 -2.269 -0.470) 4.553 8.988 ( -1.245 -5.007 -9.106) 10.466 8.988 ( 1.245 -5.007 -9.106) 10.466 9.046 ( -4.694 -6.129 -2.867) 8.235 9.046 ( 4.694 -6.129 -2.867) 8.235 9.120 ( -2.879 -3.653 -2.647) 5.352 9.120 ( 2.879 -3.653 -2.647) 5.352 9.621 ( -0.439 1.477 2.267) 2.740 9.621 ( 0.439 1.477 2.267) 2.740 9.753 ( -2.588 3.771 -0.636) 4.618 9.753 ( 2.588 3.771 -0.636) 4.618 9.797 ( -3.472 -1.544 4.153) 5.629 9.797 ( 3.472 -1.544 4.153) 5.629 9.930 ( -2.542 -1.949 -1.321) 3.465 9.930 ( 2.542 -1.949 -1.321) 3.465 10.042 ( -2.618 -2.713 6.103) 7.174 10.042 ( 2.618 -2.713 6.103) 7.174 10.184 ( -3.935 2.862 2.844) 5.636 10.184 ( 3.935 2.862 2.844) 5.636 10.258 ( -1.352 2.630 0.812) 3.067 10.258 ( 1.352 2.630 0.812) 3.067 10.397 ( -6.478 1.060 -1.451) 6.723 10.397 ( 6.478 1.060 -1.451) 6.723 10.579 ( -2.305 -0.376 2.649) 3.532 10.579 ( 2.305 -0.376 2.649) 3.532 10.667 ( -5.987 -5.398 -2.155) 8.344 10.667 ( 5.987 -5.398 -2.155) 8.344 10.897 ( -3.096 -0.016 -4.985) 5.868 10.897 ( 3.096 -0.016 -4.985) 5.868 11.218 ( -10.635 7.609 -12.915) 18.379 11.218 ( 10.635 7.609 -12.915) 18.379 11.462 ( -2.407 -0.216 6.021) 6.488 11.462 ( 2.407 -0.216 6.021) 6.488 11.639 ( -8.566 -2.994 -4.646) 10.195 11.639 ( 8.566 -2.994 -4.646) 10.195 11.867 ( -6.028 -2.671 5.256) 8.432 11.867 ( 6.028 -2.671 5.256) 8.432 12.076 ( -3.647 1.059 7.068) 8.023 12.076 ( 3.647 1.059 7.068) 8.023 12.183 ( -5.569 0.088 -0.933) 5.647 12.183 ( 5.569 0.088 -0.933) 5.647 12.395 ( -3.871 -0.447 -0.771) 3.972 12.395 ( 3.871 -0.447 -0.771) 3.972 12.981 ( -8.798 3.088 5.584) 10.868 12.981 ( 8.798 3.088 5.584) 10.868 13.191 ( -9.996 -0.980 5.009) 11.224 13.191 ( 9.996 -0.980 5.009) 11.224 13.294 ( -2.334 0.763 -6.682) 7.119 13.294 ( 2.334 0.763 -6.682) 7.119 13.684 ( -5.621 -0.504 -13.211) 14.366 13.684 ( 5.621 -0.504 -13.211) 14.366 14.000 ( -6.021 -1.289 8.351) 10.376 14.000 ( 6.021 -1.289 8.351) 10.376 14.379 ( -1.385 0.268 8.882) 8.994 14.379 ( 1.385 0.268 8.882) 8.994 14.504 ( -0.934 -1.954 -9.699) 9.938 14.504 ( 0.934 -1.954 -9.699) 9.938 14.769 ( -1.404 0.465 -4.393) 4.635 14.769 ( 1.404 0.465 -4.393) 4.635 15.365 ( -0.439 1.009 3.512) 3.680 15.365 ( 0.439 1.009 3.512) 3.680 15.571 ( -1.159 3.527 -4.211) 5.614 15.571 ( 1.159 3.527 -4.211) 5.614 15.702 ( -1.182 1.048 4.131) 4.423 15.702 ( 1.182 1.048 4.131) 4.423 15.891 ( -3.978 0.988 -4.688) 6.227 15.891 ( 3.978 0.988 -4.688) 6.227 15.992 ( -3.297 -2.171 4.276) 5.819 15.992 ( 3.297 -2.171 4.276) 5.819 16.145 ( -5.948 -1.593 -1.029) 6.243 16.145 ( 5.948 -1.593 -1.029) 6.243 16.345 ( -3.480 2.638 3.843) 5.817 16.345 ( 3.480 2.638 3.843) 5.817 16.517 ( -3.422 0.068 -2.780) 4.409 16.517 ( 3.422 0.068 -2.780) 4.409 17.673 ( -1.871 -2.463 1.660) 3.511 17.673 ( 1.871 -2.463 1.660) 3.511 17.720 ( -2.314 -2.795 0.404) 3.651 17.720 ( 2.314 -2.795 0.404) 3.651 17.820 ( -3.828 -1.640 4.117) 5.856 17.820 ( 3.828 -1.640 4.117) 5.856 18.073 ( -1.997 -0.500 -4.799) 5.222 18.073 ( 1.997 -0.500 -4.799) 5.222 18.513 ( -3.656 1.429 1.115) 4.080 18.513 ( 3.656 1.429 1.115) 4.080 18.552 ( -1.918 -1.861 0.003) 2.672 18.552 ( 1.918 -1.861 0.003) 2.672 18.644 ( -2.755 -2.723 5.191) 6.477 18.644 ( 2.755 -2.723 5.191) 6.477 18.910 ( -2.562 -8.674 -4.458) 10.083 18.910 ( 2.562 -8.674 -4.458) 10.083 ======================= Grid point 65 (28/45) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.000 -2.240 4.338) 4.883 1.741 ( 0.000 2.240 4.338) 4.883 1.798 ( 0.000 -1.243 5.894) 6.023 1.798 ( 0.000 1.243 5.894) 6.023 1.977 ( 0.000 -7.818 -5.209) 9.395 1.977 ( 0.000 7.818 -5.209) 9.395 2.226 ( 0.000 -6.822 -4.906) 8.403 2.226 ( 0.000 6.822 -4.906) 8.403 2.283 ( 0.000 -3.479 6.205) 7.113 2.283 ( 0.000 3.479 6.205) 7.113 2.420 ( 0.000 -9.536 1.311) 9.625 2.420 ( 0.000 9.536 1.311) 9.625 2.503 ( 0.000 -5.546 -0.503) 5.569 2.503 ( 0.000 5.546 -0.503) 5.569 2.580 ( 0.000 -0.054 -1.912) 1.913 2.580 ( 0.000 0.054 -1.912) 1.913 2.661 ( 0.000 -8.949 0.930) 8.997 2.661 ( 0.000 8.949 0.930) 8.997 2.689 ( 0.000 -5.630 3.254) 6.503 2.689 ( 0.000 5.630 3.254) 6.503 2.854 ( 0.000 -6.199 -2.705) 6.763 2.854 ( 0.000 6.199 -2.705) 6.763 2.871 ( 0.000 -3.735 -1.174) 3.915 2.871 ( 0.000 3.735 -1.174) 3.915 2.938 ( 0.000 -3.320 5.341) 6.289 2.938 ( 0.000 3.320 5.341) 6.289 2.986 ( 0.000 -2.483 2.997) 3.892 2.986 ( 0.000 2.483 2.997) 3.892 3.164 ( 0.000 -0.059 -4.836) 4.836 3.164 ( 0.000 0.059 -4.836) 4.836 3.220 ( 0.000 -1.532 3.062) 3.424 3.220 ( 0.000 1.532 3.062) 3.424 3.319 ( 0.000 -3.766 -7.973) 8.818 3.319 ( 0.000 3.766 -7.973) 8.818 3.417 ( 0.000 -1.569 0.637) 1.693 3.417 ( 0.000 1.569 0.637) 1.693 3.526 ( 0.000 -0.640 -2.578) 2.657 3.526 ( 0.000 0.640 -2.578) 2.657 3.656 ( 0.000 -0.217 -2.687) 2.695 3.656 ( 0.000 0.217 -2.687) 2.695 3.741 ( 0.000 -1.766 2.958) 3.445 3.741 ( 0.000 1.766 2.958) 3.445 3.821 ( 0.000 -0.058 2.331) 2.331 3.821 ( 0.000 0.058 2.331) 2.331 4.078 ( 0.000 -0.096 2.618) 2.620 4.078 ( 0.000 0.096 2.618) 2.620 4.140 ( 0.000 -2.338 1.384) 2.717 4.140 ( 0.000 2.338 1.384) 2.717 4.282 ( 0.000 -0.837 6.102) 6.159 4.282 ( 0.000 0.837 6.102) 6.159 4.397 ( 0.000 -1.172 3.993) 4.161 4.397 ( 0.000 1.172 3.993) 4.161 4.445 ( 0.000 -10.055 0.887) 10.094 4.445 ( 0.000 10.055 0.887) 10.094 4.638 ( 0.000 -2.699 1.864) 3.280 4.638 ( 0.000 2.699 1.864) 3.280 4.783 ( 0.000 -4.539 -7.997) 9.195 4.783 ( 0.000 4.539 -7.997) 9.195 4.911 ( 0.000 -4.472 -4.712) 6.496 4.911 ( 0.000 4.472 -4.712) 6.496 4.973 ( 0.000 -2.646 -2.689) 3.772 4.973 ( 0.000 2.646 -2.689) 3.772 5.042 ( 0.000 -1.920 -0.827) 2.091 5.042 ( 0.000 1.920 -0.827) 2.091 5.179 ( 0.000 -0.832 -0.492) 0.966 5.179 ( 0.000 0.832 -0.492) 0.966 5.306 ( 0.000 -1.520 -3.006) 3.369 5.306 ( 0.000 1.520 -3.006) 3.369 5.684 ( 0.000 -4.189 8.821) 9.766 5.684 ( 0.000 4.189 8.821) 9.766 5.959 ( 0.000 -1.159 -3.434) 3.624 5.959 ( 0.000 1.159 -3.434) 3.624 8.140 ( 0.000 -1.810 5.160) 5.468 8.140 ( 0.000 1.810 5.160) 5.468 8.164 ( 0.000 -3.097 5.169) 6.026 8.164 ( 0.000 3.097 5.169) 6.026 8.366 ( 0.000 -3.173 -3.201) 4.507 8.366 ( 0.000 3.173 -3.201) 4.507 8.417 ( 0.000 -0.062 0.854) 0.857 8.417 ( 0.000 0.062 0.854) 0.857 8.480 ( 0.000 -3.681 -0.658) 3.739 8.480 ( 0.000 3.681 -0.658) 3.739 8.519 ( 0.000 -0.112 1.042) 1.048 8.519 ( 0.000 0.112 1.042) 1.048 8.705 ( 0.000 -2.484 1.173) 2.747 8.705 ( 0.000 2.484 1.173) 2.747 8.733 ( 0.000 -4.505 -3.004) 5.415 8.733 ( 0.000 4.505 -3.004) 5.415 8.797 ( 0.000 -5.075 -4.184) 6.577 8.797 ( 0.000 5.075 -4.184) 6.577 8.936 ( 0.000 -3.698 -3.311) 4.964 8.936 ( 0.000 3.698 -3.311) 4.964 9.015 ( 0.000 -8.402 -0.610) 8.424 9.015 ( 0.000 8.402 -0.610) 8.424 9.164 ( 0.000 -2.619 -4.213) 4.961 9.164 ( 0.000 2.619 -4.213) 4.961 9.675 ( 0.000 -0.587 0.673) 0.893 9.675 ( 0.000 0.587 0.673) 0.893 9.713 ( 0.000 -5.436 6.933) 8.810 9.713 ( 0.000 5.436 6.933) 8.810 9.827 ( 0.000 -4.194 -4.429) 6.100 9.827 ( 0.000 4.194 -4.429) 6.100 9.898 ( 0.000 -5.035 -0.328) 5.045 9.898 ( 0.000 5.035 -0.328) 5.045 10.113 ( 0.000 -4.120 4.848) 6.362 10.113 ( 0.000 4.120 4.848) 6.362 10.171 ( 0.000 -4.946 6.358) 8.055 10.171 ( 0.000 4.946 6.358) 8.055 10.263 ( 0.000 -3.035 -4.258) 5.229 10.263 ( 0.000 3.035 -4.258) 5.229 10.359 ( 0.000 -1.019 -3.004) 3.172 10.359 ( 0.000 1.019 -3.004) 3.172 10.549 ( 0.000 -3.032 -4.074) 5.078 10.549 ( 0.000 3.032 -4.074) 5.078 10.762 ( 0.000 -2.415 6.349) 6.793 10.762 ( 0.000 2.415 6.349) 6.793 10.969 ( 0.000 -3.242 -8.305) 8.915 10.969 ( 0.000 3.242 -8.305) 8.915 11.029 ( 0.000 -0.075 -1.028) 1.031 11.029 ( 0.000 0.075 -1.028) 1.031 11.389 ( 0.000 -3.108 10.908) 11.342 11.389 ( 0.000 3.108 10.908) 11.342 11.555 ( 0.000 -1.165 3.047) 3.262 11.555 ( 0.000 1.165 3.047) 3.262 11.775 ( 0.000 -1.140 -1.948) 2.257 11.775 ( 0.000 1.140 -1.948) 2.257 12.095 ( 0.000 -2.551 -4.480) 5.155 12.095 ( 0.000 2.551 -4.480) 5.155 12.149 ( 0.000 -2.750 8.790) 9.211 12.149 ( 0.000 2.750 8.790) 9.211 12.604 ( 0.000 -0.837 -6.808) 6.859 12.604 ( 0.000 0.837 -6.808) 6.859 12.983 ( 0.000 -0.253 -4.605) 4.612 12.983 ( 0.000 0.253 -4.605) 4.612 13.306 ( 0.000 -0.065 3.546) 3.547 13.306 ( 0.000 0.065 3.546) 3.547 13.421 ( 0.000 -4.238 -14.185) 14.805 13.421 ( 0.000 4.238 -14.185) 14.805 13.586 ( 0.000 -6.684 0.897) 6.744 13.586 ( 0.000 6.684 0.897) 6.744 14.081 ( 0.000 -1.770 1.547) 2.350 14.081 ( 0.000 1.770 1.547) 2.350 14.285 ( 0.000 -1.407 -4.427) 4.645 14.285 ( 0.000 1.407 -4.427) 4.645 14.530 ( 0.000 -3.792 15.295) 15.758 14.530 ( 0.000 3.792 15.295) 15.758 14.931 ( 0.000 -2.165 -4.287) 4.803 14.931 ( 0.000 2.165 -4.287) 4.803 15.404 ( 0.000 -0.329 4.168) 4.181 15.404 ( 0.000 0.329 4.168) 4.181 15.595 ( 0.000 -2.005 -1.486) 2.496 15.595 ( 0.000 2.005 -1.486) 2.496 15.699 ( 0.000 -6.028 0.562) 6.054 15.699 ( 0.000 6.028 0.562) 6.054 15.754 ( 0.000 -3.756 1.574) 4.072 15.754 ( 0.000 3.756 1.574) 4.072 15.834 ( 0.000 -0.341 1.418) 1.459 15.834 ( 0.000 0.341 1.418) 1.459 16.147 ( 0.000 -2.518 -6.612) 7.075 16.147 ( 0.000 2.518 -6.612) 7.075 16.369 ( 0.000 -1.376 3.489) 3.750 16.369 ( 0.000 1.376 3.489) 3.750 16.505 ( 0.000 -4.348 -1.887) 4.740 16.505 ( 0.000 4.348 -1.887) 4.740 17.596 ( 0.000 -2.927 0.654) 2.999 17.596 ( 0.000 2.927 0.654) 2.999 17.687 ( 0.000 -4.989 -1.182) 5.127 17.687 ( 0.000 4.989 -1.182) 5.127 17.868 ( 0.000 -2.507 4.668) 5.299 17.868 ( 0.000 2.507 4.668) 5.299 18.064 ( 0.000 -3.110 -2.197) 3.808 18.064 ( 0.000 3.110 -2.197) 3.808 18.498 ( 0.000 -0.464 1.362) 1.439 18.498 ( 0.000 0.464 1.362) 1.439 18.576 ( 0.000 -5.944 -1.508) 6.132 18.576 ( 0.000 5.944 -1.508) 6.132 18.655 ( 0.000 -4.274 2.412) 4.907 18.655 ( 0.000 4.274 2.412) 4.907 18.777 ( 0.000 -7.306 -1.876) 7.543 18.777 ( 0.000 7.306 -1.876) 7.543 ======================= Grid point 67 (29/45) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 1.767 0.000 9.790) 9.948 1.776 ( 0.408 -0.000 11.532) 11.539 1.894 ( 9.346 0.000 1.563) 9.476 1.909 ( 7.890 -0.000 4.205) 8.941 2.095 ( 8.790 0.000 -3.597) 9.497 2.121 ( 9.441 -0.000 -3.960) 10.238 2.170 ( -1.147 0.000 3.012) 3.223 2.202 ( -2.823 0.000 4.950) 5.699 2.304 ( 1.142 -0.000 -2.180) 2.461 2.317 ( 1.817 0.000 -5.687) 5.970 2.353 ( -1.032 -0.000 -1.539) 1.853 2.365 ( -3.413 0.000 -0.450) 3.442 2.473 ( -0.789 0.000 -4.168) 4.242 2.493 ( -4.968 -0.000 -6.025) 7.809 2.525 ( 0.391 0.000 -2.254) 2.288 2.622 ( -0.344 0.000 0.784) 0.856 2.679 ( 0.258 0.000 5.241) 5.248 2.689 ( 0.247 -0.000 1.268) 1.292 2.710 ( -3.543 -0.000 -8.069) 8.812 2.732 ( 5.678 0.000 2.549) 6.224 2.799 ( -0.247 -0.000 2.526) 2.538 2.808 ( -4.420 -0.000 0.822) 4.496 2.870 ( -1.398 0.000 -0.724) 1.575 2.897 ( 0.004 0.000 1.772) 1.772 2.928 ( 2.686 0.000 4.880) 5.570 2.936 ( -0.471 -0.000 2.612) 2.654 2.980 ( -3.270 -0.000 1.259) 3.504 3.008 ( 0.553 0.000 6.060) 6.085 3.048 ( -3.718 0.000 0.598) 3.766 3.132 ( -2.074 0.000 3.166) 3.784 3.233 ( 4.961 0.000 -4.598) 6.764 3.350 ( 3.359 0.000 -3.534) 4.876 3.353 ( 2.328 -0.000 1.478) 2.758 3.365 ( 1.756 0.000 0.232) 1.772 3.442 ( -0.179 -0.000 0.453) 0.487 3.449 ( 3.770 0.000 -1.255) 3.973 3.485 ( -5.820 0.000 -0.936) 5.895 3.487 ( -2.233 0.000 -3.642) 4.272 3.520 ( -1.198 0.000 -6.946) 7.049 3.563 ( -2.724 0.000 -1.841) 3.288 3.801 ( 3.047 0.000 3.078) 4.331 3.858 ( 2.476 0.000 4.239) 4.909 3.898 ( 3.372 0.000 -1.478) 3.682 3.942 ( 7.295 0.000 -1.015) 7.365 4.031 ( -0.263 0.000 1.360) 1.386 4.066 ( 3.583 0.000 -2.816) 4.557 4.138 ( -2.683 0.000 4.585) 5.312 4.140 ( -5.024 0.000 5.841) 7.704 4.208 ( 4.914 0.000 1.957) 5.289 4.285 ( -2.353 0.000 6.250) 6.678 4.357 ( -3.233 0.000 -1.056) 3.401 4.408 ( -3.500 0.000 3.827) 5.186 4.411 ( -2.224 -0.000 -3.476) 4.126 4.468 ( -2.180 0.000 -2.206) 3.102 4.632 ( -2.342 0.000 -4.141) 4.758 4.667 ( 4.191 0.000 6.181) 7.468 4.696 ( -7.338 0.000 -7.799) 10.709 4.725 ( 1.648 0.000 1.828) 2.461 4.888 ( -3.360 0.000 -3.170) 4.620 4.919 ( -2.238 0.000 -1.446) 2.664 4.933 ( -4.050 0.000 2.010) 4.521 4.953 ( 4.770 0.000 -5.994) 7.660 5.013 ( -4.737 -0.000 -1.054) 4.853 5.074 ( 1.591 0.000 2.832) 3.248 5.132 ( 1.261 0.000 -4.905) 5.064 5.249 ( 0.451 0.000 3.529) 3.558 5.311 ( 5.809 0.000 -6.928) 9.041 5.428 ( 3.635 0.000 -2.574) 4.454 5.664 ( -1.139 0.000 8.376) 8.453 5.675 ( -0.883 -0.000 8.877) 8.921 5.953 ( 0.241 0.000 -4.148) 4.155 5.968 ( 0.242 0.000 -3.658) 3.666 8.090 ( -1.947 0.000 4.989) 5.355 8.096 ( -2.411 0.000 5.398) 5.912 8.204 ( 2.620 0.000 4.771) 5.443 8.225 ( 2.130 0.000 6.256) 6.609 8.368 ( -1.090 0.000 -4.008) 4.154 8.374 ( 1.382 0.000 -4.587) 4.790 8.410 ( -2.020 -0.000 2.573) 3.271 8.441 ( 3.599 0.000 1.108) 3.766 8.481 ( 3.256 0.000 -2.571) 4.149 8.519 ( 0.423 -0.000 -0.256) 0.494 8.536 ( 1.394 0.000 0.902) 1.661 8.555 ( 2.794 0.000 1.348) 3.102 8.646 ( -3.082 0.000 -0.328) 3.099 8.678 ( -2.432 0.000 -1.543) 2.880 8.733 ( 0.013 0.000 0.624) 0.624 8.754 ( 2.291 0.000 0.487) 2.343 8.802 ( 1.644 0.000 -8.768) 8.921 8.858 ( 1.697 0.000 -4.248) 4.574 8.899 ( -1.061 -0.000 -4.144) 4.278 8.944 ( -1.830 0.000 -0.975) 2.074 8.967 ( -2.538 -0.000 -1.140) 2.783 8.998 ( -2.868 0.000 -2.954) 4.118 9.098 ( -2.797 0.000 -4.249) 5.087 9.150 ( -2.569 0.000 -3.259) 4.149 9.642 ( -1.450 0.000 2.269) 2.692 9.668 ( -1.047 0.000 2.236) 2.469 9.729 ( 1.991 0.000 6.128) 6.444 9.745 ( 1.665 0.000 5.078) 5.345 9.820 ( -0.051 0.000 -2.598) 2.598 9.839 ( 0.021 0.000 -3.586) 3.586 9.882 ( -0.313 0.000 0.229) 0.388 9.893 ( -0.813 -0.000 -0.404) 0.907 10.044 ( -4.733 0.000 4.869) 6.790 10.109 ( -4.619 0.000 10.783) 11.731 10.155 ( 1.062 -0.000 2.105) 2.358 10.178 ( 3.662 0.000 2.232) 4.289 10.273 ( 0.077 0.000 -1.906) 1.908 10.313 ( 4.279 -0.000 1.344) 4.485 10.336 ( 1.649 0.000 -2.248) 2.788 10.422 ( 2.456 0.000 -2.566) 3.552 10.575 ( 0.105 -0.000 -5.532) 5.533 10.598 ( 0.083 0.000 -0.639) 0.645 10.657 ( -7.887 0.000 0.565) 7.907 10.663 ( -4.242 -0.000 3.521) 5.513 10.890 ( -2.215 0.000 -1.233) 2.534 10.977 ( -3.788 0.000 -5.355) 6.559 11.105 ( 9.382 0.000 -8.073) 12.377 11.209 ( 13.607 0.000 -7.241) 15.414 11.407 ( 0.312 0.000 4.302) 4.314 11.425 ( 2.371 0.000 8.467) 8.793 11.546 ( -1.163 0.000 0.594) 1.306 11.650 ( 7.417 0.000 3.246) 8.096 11.809 ( -1.833 -0.000 -4.763) 5.103 11.831 ( 5.481 0.000 8.407) 10.035 12.045 ( 1.154 0.000 -8.148) 8.229 12.102 ( -3.247 0.000 4.384) 5.455 12.130 ( -1.447 0.000 12.089) 12.176 12.190 ( 4.439 0.000 -0.177) 4.443 12.464 ( -8.608 0.000 -6.778) 10.956 12.560 ( -7.194 0.000 -3.008) 7.798 12.967 ( -0.710 0.000 0.170) 0.730 13.019 ( 4.288 0.000 1.845) 4.668 13.249 ( -10.057 0.000 2.167) 10.287 13.259 ( 0.033 -0.000 -5.525) 5.525 13.342 ( -4.958 0.000 -8.925) 10.209 13.428 ( -9.855 0.000 2.725) 10.225 13.520 ( 6.515 0.000 -4.093) 7.694 13.665 ( 6.549 0.000 -8.672) 10.867 13.962 ( -3.224 0.000 7.026) 7.730 14.130 ( -5.551 0.000 1.231) 5.686 14.356 ( 3.901 0.000 -1.835) 4.311 14.366 ( 7.961 0.000 -8.983) 12.003 14.427 ( -3.547 0.000 13.902) 14.347 14.502 ( -3.783 0.000 6.924) 7.890 14.846 ( -6.326 0.000 -5.292) 8.248 14.869 ( -5.153 0.000 -4.925) 7.128 15.389 ( -1.053 0.000 3.924) 4.063 15.390 ( -1.084 -0.000 4.059) 4.201 15.602 ( 0.409 -0.000 -2.941) 2.969 15.608 ( 1.078 0.000 -3.294) 3.466 15.689 ( -0.027 0.000 3.753) 3.753 15.730 ( -0.342 0.000 1.628) 1.664 15.795 ( 5.956 0.000 -0.968) 6.034 15.853 ( 6.434 0.000 2.278) 6.826 15.887 ( 4.145 0.000 -0.875) 4.237 15.918 ( 5.107 0.000 4.540) 6.833 16.095 ( -0.959 0.000 -5.282) 5.368 16.212 ( -0.249 0.000 -6.274) 6.279 16.318 ( 0.184 0.000 5.322) 5.325 16.403 ( 0.278 0.000 3.303) 3.315 16.502 ( 0.550 0.000 -2.676) 2.732 16.521 ( 0.627 0.000 -1.658) 1.773 17.611 ( 1.456 0.000 0.586) 1.570 17.620 ( 2.116 -0.000 1.277) 2.471 17.682 ( -0.424 -0.000 0.021) 0.424 17.703 ( 1.060 0.000 -2.470) 2.688 17.817 ( -2.839 0.000 6.645) 7.226 17.859 ( -2.169 0.000 4.066) 4.608 18.048 ( 0.196 0.000 -3.826) 3.831 18.082 ( 0.041 0.000 -3.262) 3.262 18.501 ( 0.473 0.000 1.197) 1.287 18.509 ( 0.755 0.000 1.946) 2.087 18.554 ( -0.501 -0.000 -1.255) 1.351 18.586 ( -0.481 0.000 -0.815) 0.946 18.622 ( -1.679 -0.000 2.662) 3.147 18.649 ( -1.126 0.000 3.374) 3.557 18.774 ( 1.064 -0.000 -3.266) 3.435 18.805 ( 0.811 0.000 -2.214) 2.358 ======================= Grid point 69 (30/45) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -0.944 0.000 13.757) 13.789 1.777 ( 0.944 0.000 13.757) 13.789 2.029 ( -0.135 -0.000 3.940) 3.942 2.029 ( 0.135 0.000 3.940) 3.942 2.125 ( -0.790 0.000 6.010) 6.062 2.125 ( 0.790 0.000 6.010) 6.062 2.229 ( -1.158 0.000 0.277) 1.190 2.229 ( 1.158 0.000 0.277) 1.190 2.360 ( -2.456 -0.000 -5.746) 6.248 2.360 ( 2.456 0.000 -5.746) 6.248 2.377 ( -2.334 0.000 -7.117) 7.490 2.377 ( 2.335 -0.000 -7.117) 7.490 2.454 ( -1.031 0.000 -7.379) 7.450 2.454 ( 1.031 0.000 -7.379) 7.450 2.549 ( -4.381 0.000 -9.566) 10.522 2.549 ( 4.381 -0.000 -9.566) 10.522 2.629 ( -2.193 0.000 4.335) 4.858 2.629 ( 2.193 0.000 4.335) 4.858 2.717 ( -1.139 -0.000 0.836) 1.413 2.717 ( 1.139 0.000 0.836) 1.413 2.792 ( -0.036 0.000 2.313) 2.313 2.792 ( 0.036 -0.000 2.313) 2.313 2.875 ( -1.923 0.000 0.227) 1.936 2.875 ( 1.923 0.000 0.227) 1.936 2.940 ( -0.960 0.000 4.808) 4.903 2.940 ( 0.960 0.000 4.808) 4.903 2.966 ( -2.117 -0.000 5.355) 5.759 2.966 ( 2.117 -0.000 5.355) 5.759 3.095 ( -3.219 0.000 4.124) 5.232 3.095 ( 3.219 0.000 4.124) 5.232 3.334 ( -2.615 0.000 4.046) 4.818 3.334 ( 2.615 0.000 4.046) 4.818 3.368 ( -1.313 0.000 -1.873) 2.287 3.368 ( 1.313 -0.000 -1.873) 2.287 3.409 ( -2.466 0.000 -0.341) 2.490 3.409 ( 2.466 0.000 -0.341) 2.490 3.511 ( -0.087 -0.000 -7.111) 7.112 3.511 ( 0.087 0.000 -7.111) 7.112 3.532 ( -1.199 0.000 -3.086) 3.310 3.532 ( 1.199 0.000 -3.086) 3.310 3.851 ( -2.529 0.000 3.612) 4.409 3.851 ( 2.529 0.000 3.612) 4.409 3.952 ( -3.594 0.000 -0.724) 3.666 3.952 ( 3.594 0.000 -0.724) 3.666 4.094 ( -2.913 0.000 1.339) 3.207 4.094 ( 2.913 -0.000 1.339) 3.207 4.158 ( -2.990 0.000 -2.313) 3.780 4.158 ( 2.990 0.000 -2.313) 3.780 4.242 ( -3.493 0.000 4.301) 5.541 4.242 ( 3.493 0.000 4.301) 5.541 4.312 ( -2.565 0.000 1.110) 2.795 4.312 ( 2.565 0.000 1.110) 2.795 4.387 ( -3.005 -0.000 -3.977) 4.985 4.387 ( 3.005 -0.000 -3.977) 4.985 4.612 ( -1.135 0.000 -8.497) 8.573 4.612 ( 1.135 0.000 -8.497) 8.573 4.747 ( -1.463 0.000 8.006) 8.139 4.747 ( 1.463 0.000 8.006) 8.139 4.867 ( -1.536 0.000 0.922) 1.792 4.867 ( 1.536 0.000 0.922) 1.792 4.905 ( -2.614 -0.000 -1.790) 3.168 4.905 ( 2.614 -0.000 -1.790) 3.168 5.056 ( -3.391 0.000 -2.902) 4.463 5.056 ( 3.391 0.000 -2.902) 4.463 5.205 ( -3.926 0.000 2.694) 4.762 5.205 ( 3.926 0.000 2.694) 4.762 5.423 ( -3.648 0.000 -4.707) 5.955 5.423 ( 3.648 0.000 -4.707) 5.955 5.658 ( -0.541 0.000 8.329) 8.347 5.658 ( 0.541 0.000 8.329) 8.347 5.965 ( -0.551 0.000 -4.310) 4.345 5.965 ( 0.551 0.000 -4.310) 4.345 8.069 ( -0.096 0.000 5.205) 5.206 8.069 ( 0.096 0.000 5.205) 5.206 8.241 ( -0.647 0.000 5.792) 5.828 8.241 ( 0.647 0.000 5.792) 5.828 8.360 ( -0.698 -0.000 -2.672) 2.762 8.360 ( 0.698 0.000 -2.672) 2.762 8.448 ( -3.108 0.000 -1.995) 3.693 8.448 ( 3.108 0.000 -1.995) 3.693 8.539 ( -0.078 -0.000 -0.105) 0.131 8.539 ( 0.078 0.000 -0.105) 0.131 8.563 ( -2.033 0.000 0.761) 2.170 8.563 ( 2.033 -0.000 0.761) 2.170 8.626 ( -2.058 0.000 0.176) 2.065 8.626 ( 2.058 0.000 0.176) 2.065 8.796 ( -0.424 -0.000 -2.219) 2.259 8.796 ( 0.424 0.000 -2.219) 2.259 8.807 ( -3.705 0.000 -1.470) 3.986 8.807 ( 3.705 0.000 -1.470) 3.986 8.913 ( -1.150 0.000 -5.375) 5.496 8.913 ( 1.150 0.000 -5.375) 5.496 8.935 ( -0.785 -0.000 -4.035) 4.110 8.935 ( 0.785 -0.000 -4.035) 4.110 9.094 ( -1.880 0.000 -2.946) 3.495 9.094 ( 1.880 0.000 -2.946) 3.495 9.639 ( -1.125 0.000 3.068) 3.267 9.639 ( 1.125 0.000 3.068) 3.267 9.770 ( -0.351 0.000 5.204) 5.216 9.770 ( 0.351 0.000 5.204) 5.216 9.821 ( -0.189 0.000 -0.320) 0.372 9.821 ( 0.189 0.000 -0.320) 0.372 9.881 ( -0.332 -0.000 -1.305) 1.347 9.881 ( 0.332 0.000 -1.305) 1.347 10.014 ( -2.362 0.000 7.621) 7.979 10.014 ( 2.362 0.000 7.621) 7.979 10.195 ( -1.706 0.000 0.886) 1.923 10.195 ( 1.706 0.000 0.886) 1.923 10.339 ( -4.281 0.000 5.202) 6.737 10.339 ( 4.281 0.000 5.202) 6.737 10.408 ( -3.755 -0.000 -4.301) 5.709 10.408 ( 3.755 0.000 -4.301) 5.709 10.540 ( -2.821 0.000 -0.591) 2.882 10.540 ( 2.821 0.000 -0.591) 2.882 10.607 ( -0.897 0.000 0.769) 1.182 10.607 ( 0.897 0.000 0.769) 1.182 10.902 ( -2.857 0.000 -4.382) 5.231 10.902 ( 2.857 0.000 -4.382) 5.231 11.313 ( -7.571 0.000 -15.877) 17.590 11.313 ( 7.571 0.000 -15.877) 17.590 11.457 ( -0.800 0.000 6.965) 7.011 11.457 ( 0.800 0.000 6.965) 7.011 11.601 ( -12.062 0.000 -3.348) 12.517 11.601 ( 12.062 -0.000 -3.348) 12.517 11.836 ( -6.557 0.000 5.211) 8.375 11.836 ( 6.557 0.000 5.211) 8.375 12.087 ( -1.845 0.000 7.802) 8.017 12.087 ( 1.845 0.000 7.802) 8.017 12.182 ( -7.415 0.000 -2.496) 7.824 12.182 ( 7.415 0.000 -2.496) 7.824 12.393 ( -5.602 0.000 -0.194) 5.605 12.393 ( 5.602 0.000 -0.194) 5.605 13.018 ( -6.976 0.000 3.813) 7.950 13.018 ( 6.976 0.000 3.813) 7.950 13.176 ( -9.542 -0.000 7.900) 12.388 13.176 ( 9.542 0.000 7.900) 12.388 13.304 ( -0.482 0.000 -8.583) 8.596 13.304 ( 0.482 0.000 -8.583) 8.596 13.678 ( -6.395 0.000 -12.414) 13.964 13.678 ( 6.395 0.000 -12.414) 13.964 13.986 ( -6.316 0.000 8.543) 10.625 13.986 ( 6.316 0.000 8.543) 10.625 14.383 ( -0.977 0.000 12.118) 12.157 14.383 ( 0.977 0.000 12.118) 12.157 14.482 ( -0.352 0.000 -12.787) 12.792 14.482 ( 0.352 0.000 -12.787) 12.792 14.773 ( -1.692 0.000 -4.619) 4.919 14.773 ( 1.692 0.000 -4.619) 4.919 15.375 ( -0.016 0.000 3.798) 3.798 15.375 ( 0.016 0.000 3.798) 3.798 15.612 ( -0.464 0.000 -5.117) 5.138 15.612 ( 0.464 0.000 -5.117) 5.138 15.711 ( -1.490 0.000 5.218) 5.426 15.711 ( 1.490 0.000 5.218) 5.426 15.893 ( -2.333 0.000 -2.903) 3.724 15.893 ( 2.333 0.000 -2.903) 3.724 15.974 ( -1.124 0.000 3.646) 3.815 15.974 ( 1.124 0.000 3.646) 3.815 16.128 ( -4.513 0.000 -2.442) 5.131 16.128 ( 4.513 0.000 -2.442) 5.131 16.376 ( -2.824 0.000 3.360) 4.389 16.376 ( 2.824 0.000 3.360) 4.389 16.521 ( -0.775 0.000 -2.438) 2.558 16.521 ( 0.775 0.000 -2.438) 2.558 17.646 ( -1.224 0.000 1.055) 1.616 17.646 ( 1.224 0.000 1.055) 1.616 17.691 ( -2.301 0.000 -0.389) 2.334 17.691 ( 2.301 0.000 -0.389) 2.334 17.803 ( -2.127 0.000 5.166) 5.587 17.803 ( 2.127 0.000 5.166) 5.587 18.067 ( -1.194 0.000 -4.720) 4.868 18.067 ( 1.194 0.000 -4.720) 4.868 18.514 ( -0.509 0.000 1.538) 1.620 18.514 ( 0.509 0.000 1.538) 1.620 18.561 ( -1.091 0.000 -0.365) 1.151 18.561 ( 1.091 0.000 -0.365) 1.151 18.619 ( -1.175 0.000 3.352) 3.552 18.619 ( 1.175 0.000 3.352) 3.552 18.802 ( -1.049 -0.000 -3.299) 3.462 18.802 ( 1.049 0.000 -3.299) 3.462 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.000 0.000 -22.251) 22.251 0.969 ( 0.000 0.000 22.251) 22.251 1.025 ( 0.000 0.000 -24.803) 24.803 1.025 ( 0.000 0.000 24.803) 24.803 2.003 ( 0.000 0.000 -34.287) 34.287 2.003 ( 0.000 0.000 34.287) 34.287 2.160 ( 0.000 0.000 -1.229) 1.229 2.160 ( 0.000 0.000 1.229) 1.229 2.170 ( 0.000 0.000 -1.202) 1.202 2.170 ( 0.000 0.000 1.202) 1.202 2.263 ( 0.000 0.000 -5.461) 5.461 2.263 ( 0.000 0.000 5.461) 5.461 2.291 ( 0.000 0.000 -20.413) 20.413 2.291 ( 0.000 0.000 20.413) 20.413 2.698 ( 0.000 0.000 -6.211) 6.211 2.698 ( 0.000 0.000 6.211) 6.211 2.711 ( 0.000 0.000 -6.777) 6.777 2.711 ( 0.000 0.000 6.777) 6.777 2.825 ( 0.000 0.000 -11.653) 11.653 2.825 ( 0.000 0.000 11.653) 11.653 2.887 ( 0.000 0.000 -6.904) 6.904 2.887 ( 0.000 0.000 6.904) 6.904 3.045 ( 0.000 0.000 -7.604) 7.604 3.045 ( 0.000 0.000 7.604) 7.604 3.151 ( 0.000 0.000 -8.336) 8.336 3.151 ( 0.000 0.000 8.336) 8.336 3.241 ( 0.000 0.000 -0.286) 0.286 3.241 ( 0.000 0.000 0.286) 0.286 3.302 ( 0.000 0.000 -1.545) 1.545 3.302 ( 0.000 0.000 1.545) 1.545 3.347 ( 0.000 0.000 -3.487) 3.487 3.347 ( 0.000 0.000 3.487) 3.487 3.572 ( 0.000 0.000 -0.625) 0.625 3.572 ( 0.000 0.000 0.625) 0.625 3.633 ( 0.000 0.000 -3.546) 3.546 3.633 ( 0.000 0.000 3.546) 3.546 3.676 ( 0.000 0.000 -8.377) 8.377 3.676 ( 0.000 0.000 8.377) 8.377 3.744 ( 0.000 0.000 -4.349) 4.349 3.744 ( 0.000 0.000 4.349) 4.349 3.792 ( 0.000 0.000 -2.772) 2.772 3.792 ( 0.000 0.000 2.772) 2.772 3.914 ( 0.000 0.000 -1.479) 1.479 3.914 ( 0.000 0.000 1.479) 1.479 3.935 ( 0.000 0.000 -0.018) 0.018 3.935 ( 0.000 0.000 0.018) 0.018 3.965 ( 0.000 0.000 -1.219) 1.219 3.965 ( 0.000 0.000 1.219) 1.219 4.183 ( 0.000 0.000 -0.575) 0.575 4.183 ( 0.000 0.000 0.575) 0.575 4.229 ( 0.000 0.000 -5.182) 5.182 4.229 ( 0.000 0.000 5.182) 5.182 4.243 ( 0.000 0.000 -2.479) 2.479 4.243 ( 0.000 0.000 2.479) 2.479 4.701 ( 0.000 0.000 -6.321) 6.321 4.701 ( 0.000 0.000 6.321) 6.321 4.878 ( 0.000 0.000 -1.824) 1.824 4.878 ( 0.000 0.000 1.824) 1.824 4.897 ( 0.000 0.000 -1.853) 1.853 4.897 ( 0.000 0.000 1.853) 1.853 5.101 ( 0.000 0.000 -2.975) 2.975 5.101 ( 0.000 0.000 2.975) 2.975 5.264 ( 0.000 0.000 -3.492) 3.492 5.264 ( 0.000 0.000 3.492) 3.492 5.324 ( 0.000 0.000 -9.783) 9.783 5.324 ( 0.000 0.000 9.783) 9.783 5.435 ( 0.000 0.000 -3.991) 3.991 5.435 ( 0.000 0.000 3.991) 3.991 5.676 ( 0.000 0.000 -0.941) 0.941 5.676 ( 0.000 0.000 0.941) 0.941 6.122 ( 0.000 0.000 -7.843) 7.843 6.122 ( 0.000 0.000 7.843) 7.843 7.464 ( 0.000 0.000 -4.375) 4.375 7.464 ( 0.000 0.000 4.375) 4.375 7.754 ( 0.000 0.000 -10.919) 10.919 7.754 ( 0.000 0.000 10.919) 10.919 7.811 ( 0.000 0.000 -11.802) 11.802 7.811 ( 0.000 0.000 11.802) 11.802 7.932 ( 0.000 0.000 -6.932) 6.932 7.932 ( 0.000 0.000 6.932) 6.932 8.512 ( 0.000 0.000 -4.445) 4.445 8.512 ( 0.000 0.000 4.445) 4.445 8.679 ( 0.000 0.000 -1.990) 1.990 8.679 ( 0.000 0.000 1.990) 1.990 8.842 ( 0.000 0.000 -9.461) 9.461 8.842 ( 0.000 0.000 9.461) 9.461 8.880 ( 0.000 0.000 -0.559) 0.559 8.880 ( 0.000 0.000 0.559) 0.559 8.944 ( 0.000 0.000 -10.792) 10.792 8.944 ( 0.000 0.000 10.792) 10.792 8.975 ( 0.000 0.000 -1.528) 1.528 8.975 ( 0.000 0.000 1.528) 1.528 9.049 ( 0.000 0.000 -6.620) 6.620 9.049 ( 0.000 0.000 6.620) 6.620 9.378 ( 0.000 0.000 -1.979) 1.979 9.378 ( 0.000 0.000 1.979) 1.979 9.643 ( 0.000 0.000 -6.906) 6.906 9.643 ( 0.000 0.000 6.906) 6.906 9.676 ( 0.000 0.000 -3.917) 3.917 9.676 ( 0.000 0.000 3.917) 3.917 9.771 ( 0.000 0.000 -5.154) 5.154 9.771 ( 0.000 0.000 5.154) 5.154 9.834 ( 0.000 0.000 -6.180) 6.180 9.834 ( 0.000 0.000 6.180) 6.180 10.061 ( 0.000 0.000 -5.141) 5.141 10.061 ( 0.000 0.000 5.141) 5.141 10.087 ( 0.000 0.000 -0.265) 0.265 10.087 ( 0.000 0.000 0.265) 0.265 10.256 ( 0.000 0.000 -0.823) 0.823 10.256 ( 0.000 0.000 0.823) 0.823 10.395 ( 0.000 0.000 -12.641) 12.641 10.395 ( 0.000 0.000 12.641) 12.641 10.605 ( 0.000 0.000 -0.440) 0.440 10.605 ( 0.000 0.000 0.440) 0.440 10.664 ( 0.000 0.000 -6.303) 6.303 10.664 ( 0.000 0.000 6.303) 6.303 10.790 ( 0.000 0.000 -0.725) 0.725 10.790 ( 0.000 0.000 0.725) 0.725 11.261 ( 0.000 0.000 -8.695) 8.695 11.261 ( 0.000 0.000 8.695) 8.695 11.550 ( 0.000 0.000 -0.956) 0.956 11.550 ( 0.000 0.000 0.956) 0.956 11.610 ( 0.000 0.000 -1.991) 1.991 11.610 ( 0.000 0.000 1.991) 1.991 11.887 ( 0.000 0.000 -3.837) 3.837 11.887 ( 0.000 0.000 3.837) 3.837 12.072 ( 0.000 0.000 -2.618) 2.618 12.072 ( 0.000 0.000 2.618) 2.618 12.244 ( 0.000 0.000 -16.644) 16.644 12.244 ( 0.000 0.000 16.644) 16.644 12.348 ( 0.000 0.000 -4.597) 4.597 12.348 ( 0.000 0.000 4.597) 4.597 12.783 ( 0.000 0.000 -17.085) 17.085 12.783 ( 0.000 0.000 17.085) 17.085 12.890 ( 0.000 0.000 -7.538) 7.538 12.890 ( 0.000 0.000 7.538) 7.538 13.414 ( 0.000 0.000 -9.440) 9.440 13.414 ( 0.000 0.000 9.440) 9.440 13.901 ( 0.000 0.000 -21.921) 21.921 13.901 ( 0.000 0.000 21.921) 21.921 14.129 ( 0.000 0.000 -5.387) 5.387 14.129 ( 0.000 0.000 5.387) 5.387 14.303 ( 0.000 0.000 -9.802) 9.802 14.303 ( 0.000 0.000 9.802) 9.802 14.678 ( 0.000 0.000 -9.124) 9.124 14.678 ( 0.000 0.000 9.124) 9.124 14.862 ( 0.000 0.000 -0.944) 0.944 14.862 ( 0.000 0.000 0.944) 0.944 15.311 ( 0.000 0.000 -0.075) 0.075 15.311 ( 0.000 0.000 0.075) 0.075 15.470 ( 0.000 0.000 -3.815) 3.815 15.470 ( 0.000 0.000 3.815) 3.815 15.519 ( 0.000 0.000 -5.848) 5.848 15.519 ( 0.000 0.000 5.848) 5.848 15.792 ( 0.000 0.000 -6.406) 6.406 15.792 ( 0.000 0.000 6.406) 6.406 15.878 ( 0.000 0.000 -0.086) 0.086 15.878 ( 0.000 0.000 0.086) 0.086 16.142 ( 0.000 0.000 -1.844) 1.844 16.142 ( 0.000 0.000 1.844) 1.844 16.398 ( 0.000 0.000 -6.785) 6.785 16.398 ( 0.000 0.000 6.785) 6.785 16.840 ( 0.000 0.000 -1.994) 1.994 16.840 ( 0.000 0.000 1.994) 1.994 17.477 ( 0.000 0.000 -3.087) 3.087 17.477 ( 0.000 0.000 3.087) 3.087 17.812 ( 0.000 0.000 -6.490) 6.490 17.812 ( 0.000 0.000 6.490) 6.490 18.049 ( 0.000 0.000 -2.636) 2.636 18.049 ( 0.000 0.000 2.636) 2.636 18.146 ( 0.000 0.000 -1.541) 1.541 18.146 ( 0.000 0.000 1.541) 1.541 18.463 ( 0.000 0.000 -4.605) 4.605 18.463 ( 0.000 0.000 4.605) 4.605 18.866 ( 0.000 0.000 -5.493) 5.493 18.866 ( 0.000 0.000 5.493) 5.493 18.930 ( 0.000 0.000 -14.501) 14.501 18.930 ( 0.000 0.000 14.501) 14.501 19.513 ( 0.000 0.000 -0.372) 0.372 19.513 ( 0.000 0.000 0.372) 0.372 ======================= Grid point 92 (32/45) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 9.742 0.000 -20.197) 22.424 1.125 ( 9.742 0.000 20.197) 22.424 1.212 ( 18.098 0.000 -17.561) 25.217 1.212 ( 18.098 0.000 17.561) 25.217 1.789 ( -18.725 0.000 -8.947) 20.753 1.789 ( -18.725 0.000 8.947) 20.753 1.919 ( -13.910 0.000 -16.880) 21.873 1.919 ( -13.910 0.000 16.880) 21.873 2.203 ( 13.114 0.000 -26.783) 29.821 2.203 ( 13.114 0.000 26.783) 29.821 2.437 ( 6.606 0.000 -3.542) 7.496 2.437 ( 6.606 0.000 3.542) 7.496 2.476 ( 6.526 0.000 -1.821) 6.775 2.476 ( 6.526 0.000 1.821) 6.775 2.726 ( 3.139 0.000 -3.169) 4.460 2.726 ( 3.139 0.000 3.169) 4.460 2.793 ( -0.178 0.000 -6.834) 6.836 2.793 ( -0.178 0.000 6.834) 6.836 2.835 ( 9.071 0.000 -2.435) 9.393 2.835 ( 9.071 0.000 2.435) 9.393 2.955 ( 1.849 0.000 -4.161) 4.553 2.955 ( 1.849 0.000 4.161) 4.553 3.019 ( -2.469 0.000 -4.401) 5.046 3.019 ( -2.469 0.000 4.401) 5.046 3.136 ( -6.737 0.000 -4.150) 7.913 3.136 ( -6.737 0.000 4.150) 7.913 3.197 ( 0.462 0.000 -3.480) 3.510 3.197 ( 0.462 0.000 3.480) 3.510 3.296 ( 1.410 0.000 -1.074) 1.773 3.296 ( 1.410 0.000 1.074) 1.773 3.368 ( -0.943 0.000 -3.528) 3.652 3.368 ( -0.943 0.000 3.528) 3.652 3.521 ( -2.609 0.000 -2.042) 3.313 3.521 ( -2.609 0.000 2.042) 3.313 3.570 ( -5.241 0.000 -9.445) 10.801 3.570 ( -5.241 0.000 9.445) 10.801 3.639 ( -1.302 0.000 -3.156) 3.414 3.639 ( -1.302 0.000 3.156) 3.414 3.645 ( -6.496 0.000 -6.970) 9.528 3.645 ( -6.496 0.000 6.970) 9.528 3.822 ( 0.906 0.000 -6.265) 6.331 3.822 ( 0.906 0.000 6.265) 6.331 3.869 ( -2.578 0.000 -0.505) 2.627 3.869 ( -2.578 0.000 0.505) 2.627 3.918 ( 1.336 0.000 -0.257) 1.360 3.918 ( 1.336 0.000 0.257) 1.360 4.022 ( -0.718 0.000 -2.788) 2.879 4.022 ( -0.718 0.000 2.788) 2.879 4.077 ( -1.936 0.000 -5.382) 5.720 4.077 ( -1.936 0.000 5.382) 5.720 4.228 ( -6.084 0.000 -4.068) 7.319 4.228 ( -6.084 0.000 4.068) 7.319 4.305 ( 6.216 0.000 -4.253) 7.532 4.305 ( 6.216 0.000 4.253) 7.532 4.659 ( -1.564 0.000 -4.200) 4.482 4.659 ( -1.564 0.000 4.200) 4.482 4.818 ( -3.478 0.000 -3.143) 4.688 4.818 ( -3.478 0.000 3.143) 4.688 4.918 ( -1.701 0.000 -2.402) 2.943 4.918 ( -1.701 0.000 2.402) 2.943 5.035 ( 0.524 0.000 -2.566) 2.619 5.035 ( 0.524 0.000 2.566) 2.619 5.183 ( -3.686 0.000 -3.021) 4.766 5.183 ( -3.686 0.000 3.021) 4.766 5.488 ( 4.921 0.000 -1.683) 5.201 5.488 ( 4.921 0.000 1.683) 5.201 5.529 ( 6.402 0.000 -7.384) 9.772 5.529 ( 6.402 0.000 7.384) 9.772 5.752 ( 7.377 0.000 -2.473) 7.780 5.752 ( 7.377 0.000 2.473) 7.780 6.069 ( -4.842 0.000 -7.187) 8.666 6.069 ( -4.842 0.000 7.187) 8.666 7.513 ( 4.341 0.000 -3.522) 5.590 7.513 ( 4.341 0.000 3.522) 5.590 7.717 ( -3.252 0.000 -7.837) 8.485 7.717 ( -3.252 0.000 7.837) 8.485 7.821 ( 1.004 0.000 -10.614) 10.662 7.821 ( 1.004 0.000 10.614) 10.662 7.908 ( -2.184 0.000 -2.932) 3.656 7.908 ( -2.184 0.000 2.932) 3.656 8.512 ( 0.497 0.000 -4.970) 4.995 8.512 ( 0.497 0.000 4.970) 4.995 8.633 ( -3.831 0.000 -3.329) 5.076 8.633 ( -3.831 0.000 3.329) 5.076 8.835 ( 0.617 0.000 -5.846) 5.879 8.835 ( 0.617 0.000 5.846) 5.879 8.914 ( 1.484 0.000 -4.440) 4.681 8.914 ( 1.484 0.000 4.440) 4.681 8.933 ( -1.714 0.000 -6.806) 7.019 8.933 ( -1.714 0.000 6.806) 7.019 8.997 ( -0.890 0.000 -4.626) 4.711 8.997 ( -0.890 0.000 4.626) 4.711 9.055 ( 5.285 0.000 -2.804) 5.983 9.055 ( 5.285 0.000 2.804) 5.983 9.358 ( -2.783 0.000 -2.131) 3.505 9.358 ( -2.783 0.000 2.131) 3.505 9.645 ( 0.047 0.000 -7.247) 7.247 9.645 ( 0.047 0.000 7.247) 7.247 9.654 ( -1.151 0.000 -4.735) 4.873 9.654 ( -1.151 0.000 4.735) 4.873 9.767 ( 0.196 0.000 -1.974) 1.983 9.767 ( 0.196 0.000 1.974) 1.983 9.833 ( -1.176 0.000 -4.965) 5.102 9.833 ( -1.176 0.000 4.965) 5.102 10.057 ( 1.173 0.000 -2.604) 2.856 10.057 ( 1.173 0.000 2.604) 2.856 10.167 ( 5.133 0.000 -2.614) 5.760 10.167 ( 5.133 0.000 2.614) 5.760 10.246 ( -2.050 0.000 -2.117) 2.947 10.246 ( -2.050 0.000 2.117) 2.947 10.355 ( -2.834 0.000 -8.004) 8.491 10.355 ( -2.834 0.000 8.004) 8.491 10.518 ( -3.736 0.000 -3.140) 4.880 10.518 ( -3.736 0.000 3.140) 4.880 10.617 ( -3.928 0.000 -2.356) 4.581 10.617 ( -3.928 0.000 2.356) 4.581 10.921 ( 8.301 0.000 -0.920) 8.352 10.921 ( 8.301 0.000 0.920) 8.352 11.198 ( -5.022 0.000 -4.155) 6.518 11.198 ( -5.022 0.000 4.155) 6.518 11.541 ( 3.420 0.000 -3.404) 4.825 11.541 ( 3.420 0.000 3.404) 4.825 11.712 ( 1.135 0.000 -5.225) 5.347 11.712 ( 1.135 0.000 5.225) 5.347 11.912 ( 3.836 0.000 -2.172) 4.408 11.912 ( 3.836 0.000 2.172) 4.408 12.062 ( -1.299 0.000 -3.098) 3.359 12.062 ( -1.299 0.000 3.098) 3.359 12.288 ( 3.049 0.000 -13.641) 13.977 12.288 ( 3.049 0.000 13.641) 13.977 12.360 ( 1.338 0.000 -6.266) 6.407 12.360 ( 1.338 0.000 6.266) 6.407 12.806 ( 5.123 0.000 -15.350) 16.183 12.806 ( 5.123 0.000 15.350) 16.183 13.005 ( 7.244 0.000 -5.203) 8.919 13.005 ( 7.244 0.000 5.203) 8.919 13.437 ( 1.167 0.000 -10.365) 10.431 13.437 ( 1.167 0.000 10.365) 10.431 13.665 ( -15.843 0.000 -7.850) 17.681 13.665 ( -15.843 0.000 7.850) 17.681 14.214 ( 2.469 0.000 -7.062) 7.481 14.214 ( 2.469 0.000 7.062) 7.481 14.300 ( -0.827 0.000 -9.276) 9.313 14.300 ( -0.827 0.000 9.276) 9.313 14.614 ( -3.130 0.000 -7.178) 7.830 14.614 ( -3.130 0.000 7.178) 7.830 14.769 ( -5.952 0.000 -2.284) 6.376 14.769 ( -5.952 0.000 2.284) 6.376 15.311 ( 0.340 0.000 -0.700) 0.778 15.311 ( 0.340 0.000 0.700) 0.778 15.410 ( -3.672 0.000 -2.124) 4.242 15.410 ( -3.672 0.000 2.124) 4.242 15.584 ( 3.310 0.000 -5.958) 6.816 15.584 ( 3.310 0.000 5.958) 6.816 15.692 ( -3.814 0.000 -0.767) 3.891 15.692 ( -3.814 0.000 0.767) 3.891 16.004 ( 6.171 0.000 -3.269) 6.984 16.004 ( 6.171 0.000 3.269) 6.984 16.144 ( -0.480 0.000 -1.790) 1.854 16.144 ( -0.480 0.000 1.790) 1.854 16.430 ( 3.262 0.000 -6.963) 7.690 16.430 ( 3.262 0.000 6.963) 7.690 16.696 ( -8.932 0.000 -3.175) 9.479 16.696 ( -8.932 0.000 3.175) 9.479 17.706 ( 14.629 0.000 -4.641) 15.347 17.706 ( 14.629 0.000 4.641) 15.347 17.865 ( 4.742 0.000 -6.144) 7.761 17.865 ( 4.742 0.000 6.144) 7.761 18.034 ( -1.675 0.000 -2.357) 2.892 18.034 ( -1.675 0.000 2.357) 2.892 18.096 ( -4.532 0.000 -0.284) 4.541 18.096 ( -4.532 0.000 0.284) 4.541 18.501 ( 3.974 0.000 -5.629) 6.891 18.501 ( 3.974 0.000 5.629) 6.891 18.789 ( -6.103 0.000 -4.121) 7.364 18.789 ( -6.103 0.000 4.121) 7.364 19.003 ( 5.845 0.000 -11.308) 12.729 19.003 ( 5.845 0.000 11.308) 12.729 19.388 ( -10.028 0.000 -4.696) 11.073 19.388 ( -10.028 0.000 4.696) 11.073 ======================= Grid point 94 (33/45) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -16.397 0.000 -15.598) 22.630 1.407 ( 16.397 0.000 -15.598) 22.630 1.407 ( -16.397 0.000 15.598) 22.630 1.407 ( 16.397 0.000 15.598) 22.630 1.593 ( -16.812 0.000 -19.065) 25.419 1.593 ( 16.812 0.000 -19.065) 25.419 1.593 ( -16.812 0.000 19.065) 25.419 1.593 ( 16.812 0.000 19.065) 25.419 2.479 ( -4.173 0.000 -6.544) 7.762 2.479 ( 4.173 0.000 -6.544) 7.762 2.479 ( -4.173 0.000 6.544) 7.762 2.479 ( 4.173 0.000 6.544) 7.762 2.657 ( -15.646 0.000 -16.937) 23.058 2.657 ( 15.646 0.000 -16.937) 23.058 2.657 ( -15.646 0.000 16.937) 23.058 2.657 ( 15.646 0.000 16.937) 23.058 2.807 ( -2.798 0.000 -0.455) 2.834 2.807 ( -2.798 0.000 0.455) 2.834 2.807 ( 2.798 0.000 -0.455) 2.834 2.807 ( 2.798 0.000 0.455) 2.834 3.001 ( -3.036 0.000 -6.391) 7.075 3.001 ( 3.036 0.000 -6.391) 7.075 3.001 ( -3.036 0.000 6.391) 7.075 3.001 ( 3.036 0.000 6.391) 7.075 3.126 ( -9.539 0.000 -0.023) 9.539 3.126 ( -9.539 0.000 0.023) 9.539 3.126 ( 9.539 0.000 -0.023) 9.539 3.126 ( 9.539 0.000 0.023) 9.539 3.329 ( -0.987 0.000 -0.310) 1.035 3.329 ( -0.987 0.000 0.310) 1.035 3.329 ( 0.987 0.000 -0.310) 1.035 3.329 ( 0.987 0.000 0.310) 1.035 3.517 ( -3.470 0.000 -6.770) 7.608 3.517 ( 3.470 0.000 -6.770) 7.608 3.517 ( -3.470 0.000 6.770) 7.608 3.517 ( 3.470 0.000 6.770) 7.608 3.593 ( -4.315 0.000 -3.433) 5.514 3.593 ( 4.315 0.000 -3.433) 5.514 3.593 ( -4.315 0.000 3.433) 5.514 3.593 ( 4.315 0.000 3.433) 5.514 3.832 ( -1.050 0.000 -3.552) 3.704 3.832 ( 1.050 0.000 -3.552) 3.704 3.832 ( -1.050 0.000 3.552) 3.704 3.832 ( 1.050 0.000 3.552) 3.704 3.970 ( -2.897 0.000 -3.407) 4.472 3.970 ( 2.897 0.000 -3.407) 4.472 3.970 ( -2.897 0.000 3.407) 4.472 3.970 ( 2.897 0.000 3.407) 4.472 4.092 ( -3.691 0.000 -5.411) 6.550 4.092 ( 3.691 0.000 -5.411) 6.550 4.092 ( -3.691 0.000 5.411) 6.550 4.092 ( 3.691 0.000 5.411) 6.550 4.505 ( -10.766 0.000 -0.006) 10.766 4.505 ( -10.766 0.000 0.006) 10.766 4.505 ( 10.766 0.000 -0.006) 10.766 4.505 ( 10.766 0.000 0.006) 10.766 4.852 ( -4.341 0.000 -5.424) 6.947 4.852 ( 4.341 0.000 -5.424) 6.947 4.852 ( -4.341 0.000 5.424) 6.947 4.852 ( 4.341 0.000 5.424) 6.947 5.096 ( -4.222 0.000 -2.115) 4.722 5.096 ( 4.222 0.000 -2.115) 4.722 5.096 ( -4.222 0.000 2.115) 4.722 5.096 ( 4.222 0.000 2.115) 4.722 5.568 ( -1.860 0.000 -2.332) 2.983 5.568 ( 1.860 0.000 -2.332) 2.983 5.568 ( -1.860 0.000 2.332) 2.983 5.568 ( 1.860 0.000 2.332) 2.983 5.929 ( -8.120 0.000 -5.485) 9.799 5.929 ( 8.120 0.000 -5.485) 9.799 5.929 ( -8.120 0.000 5.485) 9.799 5.929 ( 8.120 0.000 5.485) 9.799 7.624 ( -5.403 0.000 -0.640) 5.441 7.624 ( -5.403 0.000 0.640) 5.441 7.624 ( 5.403 0.000 -0.640) 5.441 7.624 ( 5.403 0.000 0.640) 5.441 7.855 ( -2.309 0.000 -5.584) 6.042 7.855 ( 2.309 0.000 -5.584) 6.042 7.855 ( -2.309 0.000 5.584) 6.042 7.855 ( 2.309 0.000 5.584) 6.042 8.551 ( -3.258 0.000 -5.077) 6.032 8.551 ( 3.258 0.000 -5.077) 6.032 8.551 ( -3.258 0.000 5.077) 6.032 8.551 ( 3.258 0.000 5.077) 6.032 8.874 ( -2.846 0.000 -3.766) 4.720 8.874 ( 2.846 0.000 -3.766) 4.720 8.874 ( -2.846 0.000 3.766) 4.720 8.874 ( 2.846 0.000 3.766) 4.720 8.953 ( -2.079 0.000 -6.918) 7.223 8.953 ( 2.079 0.000 -6.918) 7.223 8.953 ( -2.079 0.000 6.918) 7.223 8.953 ( 2.079 0.000 6.918) 7.223 9.232 ( -8.725 0.000 -1.371) 8.832 9.232 ( -8.725 0.000 1.371) 8.832 9.232 ( 8.725 0.000 -1.371) 8.832 9.232 ( 8.725 0.000 1.371) 8.832 9.643 ( -0.064 0.000 -6.521) 6.521 9.643 ( 0.064 0.000 -6.521) 6.521 9.643 ( -0.064 0.000 6.521) 6.521 9.643 ( 0.064 0.000 6.521) 6.521 9.790 ( -1.990 0.000 -2.214) 2.977 9.790 ( 1.990 0.000 -2.214) 2.977 9.790 ( -1.990 0.000 2.214) 2.977 9.790 ( 1.990 0.000 2.214) 2.977 10.132 ( -5.299 0.000 -0.160) 5.302 10.132 ( -5.299 0.000 0.160) 5.302 10.132 ( 5.299 0.000 -0.160) 5.302 10.132 ( 5.299 0.000 0.160) 5.302 10.284 ( -4.135 0.000 -7.104) 8.220 10.284 ( 4.135 0.000 -7.104) 8.220 10.284 ( -4.135 0.000 7.104) 8.220 10.284 ( 4.135 0.000 7.104) 8.220 10.527 ( -3.728 0.000 -2.126) 4.292 10.527 ( 3.728 0.000 -2.126) 4.292 10.527 ( -3.728 0.000 2.126) 4.292 10.527 ( 3.728 0.000 2.126) 4.292 11.079 ( -6.456 0.000 -1.245) 6.575 11.079 ( -6.456 0.000 1.245) 6.575 11.079 ( 6.456 0.000 -1.245) 6.575 11.079 ( 6.456 0.000 1.245) 6.575 11.646 ( -5.318 0.000 -7.311) 9.041 11.646 ( 5.318 0.000 -7.311) 9.041 11.646 ( -5.318 0.000 7.311) 9.041 11.646 ( 5.318 0.000 7.311) 9.041 12.007 ( -3.918 0.000 -1.260) 4.116 12.007 ( -3.918 0.000 1.260) 4.116 12.007 ( 3.918 0.000 -1.260) 4.116 12.007 ( 3.918 0.000 1.260) 4.116 12.352 ( -2.438 0.000 -9.296) 9.610 12.352 ( 2.438 0.000 -9.296) 9.610 12.352 ( -2.438 0.000 9.296) 9.610 12.352 ( 2.438 0.000 9.296) 9.610 13.009 ( -9.720 0.000 -8.327) 12.799 13.009 ( 9.720 0.000 -8.327) 12.799 13.009 ( -9.720 0.000 8.327) 12.799 13.009 ( 9.720 0.000 8.327) 12.799 13.444 ( -1.897 0.000 -9.734) 9.917 13.444 ( 1.897 0.000 -9.734) 9.917 13.444 ( -1.897 0.000 9.734) 9.917 13.444 ( 1.897 0.000 9.734) 9.917 14.247 ( -2.412 0.000 -9.853) 10.144 14.247 ( 2.412 0.000 -9.853) 10.144 14.247 ( -2.412 0.000 9.853) 10.144 14.247 ( 2.412 0.000 9.853) 10.144 14.651 ( -5.032 0.000 -3.316) 6.027 14.651 ( 5.032 0.000 -3.316) 6.027 14.651 ( -5.032 0.000 3.316) 6.027 14.651 ( 5.032 0.000 3.316) 6.027 15.339 ( -2.514 0.000 -1.409) 2.882 15.339 ( 2.514 0.000 -1.409) 2.882 15.339 ( -2.514 0.000 1.409) 2.882 15.339 ( 2.514 0.000 1.409) 2.882 15.639 ( -2.099 0.000 -4.554) 5.015 15.639 ( 2.099 0.000 -4.554) 5.015 15.639 ( -2.099 0.000 4.554) 5.015 15.639 ( 2.099 0.000 4.554) 5.015 16.103 ( -3.339 0.000 -2.304) 4.057 16.103 ( 3.339 0.000 -2.304) 4.057 16.103 ( -3.339 0.000 2.304) 4.057 16.103 ( 3.339 0.000 2.304) 4.057 16.534 ( -6.387 0.000 -5.998) 8.762 16.534 ( 6.387 0.000 -5.998) 8.762 16.534 ( -6.387 0.000 5.998) 8.762 16.534 ( 6.387 0.000 5.998) 8.762 17.947 ( -7.873 0.000 -1.799) 8.076 17.947 ( -7.873 0.000 1.799) 8.076 17.947 ( 7.873 0.000 -1.799) 8.076 17.947 ( 7.873 0.000 1.799) 8.076 17.980 ( -5.381 0.000 -4.203) 6.828 17.980 ( 5.381 0.000 -4.203) 6.828 17.980 ( -5.381 0.000 4.203) 6.828 17.980 ( 5.381 0.000 4.203) 6.828 18.633 ( -7.911 0.000 -6.056) 9.963 18.633 ( 7.911 0.000 -6.056) 9.963 18.633 ( -7.911 0.000 6.056) 9.963 18.633 ( 7.911 0.000 6.056) 9.963 19.168 ( -9.716 0.000 -9.300) 13.450 19.168 ( 9.716 0.000 -9.300) 13.450 19.168 ( -9.716 0.000 9.300) 13.450 19.168 ( 9.716 0.000 9.300) 13.450 ======================= Grid point 100 (34/45) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.000 9.357 -19.446) 21.580 1.071 ( 0.000 9.357 19.446) 21.580 1.152 ( 0.000 11.251 -20.411) 23.307 1.152 ( 0.000 11.251 20.411) 23.307 2.075 ( 0.000 5.716 -20.731) 21.505 2.075 ( 0.000 5.716 20.731) 21.505 2.193 ( 0.000 2.861 -3.360) 4.413 2.193 ( 0.000 2.861 3.360) 4.413 2.200 ( 0.000 1.878 -3.994) 4.414 2.200 ( 0.000 1.878 3.994) 4.414 2.262 ( 0.000 0.338 -6.278) 6.287 2.262 ( 0.000 0.338 6.278) 6.287 2.286 ( 0.000 1.081 -19.987) 20.017 2.286 ( 0.000 1.081 19.987) 20.017 2.653 ( 0.000 -3.578 -5.593) 6.640 2.653 ( 0.000 -3.578 5.593) 6.640 2.680 ( 0.000 -2.962 -8.236) 8.752 2.680 ( 0.000 -2.962 8.236) 8.752 2.840 ( 0.000 1.693 -9.590) 9.738 2.840 ( 0.000 1.693 9.590) 9.738 2.889 ( 0.000 -0.155 -5.170) 5.172 2.889 ( 0.000 -0.155 5.170) 5.172 3.049 ( 0.000 -0.224 -5.610) 5.615 3.049 ( 0.000 -0.224 5.610) 5.615 3.101 ( 0.000 -4.197 -7.002) 8.163 3.101 ( 0.000 -4.197 7.002) 8.163 3.218 ( 0.000 -2.801 -1.573) 3.213 3.218 ( 0.000 -2.801 1.573) 3.213 3.312 ( 0.000 -3.342 -2.600) 4.234 3.312 ( 0.000 -3.342 2.600) 4.234 3.322 ( 0.000 1.589 -1.997) 2.552 3.322 ( 0.000 1.589 1.997) 2.552 3.510 ( 0.000 -4.469 -5.571) 7.142 3.510 ( 0.000 -4.469 5.571) 7.142 3.633 ( 0.000 -0.453 -5.506) 5.524 3.633 ( 0.000 -0.453 5.506) 5.524 3.642 ( 0.000 -3.719 -6.088) 7.134 3.642 ( 0.000 -3.719 6.088) 7.134 3.728 ( 0.000 -0.790 -0.635) 1.014 3.728 ( 0.000 -0.790 0.635) 1.014 3.794 ( 0.000 -4.167 -2.420) 4.819 3.794 ( 0.000 -4.167 2.420) 4.819 3.872 ( 0.000 1.314 -1.231) 1.801 3.872 ( 0.000 1.314 1.231) 1.801 3.983 ( 0.000 2.476 -5.063) 5.636 3.983 ( 0.000 2.476 5.063) 5.636 3.995 ( 0.000 2.701 -1.926) 3.318 3.995 ( 0.000 2.701 1.926) 3.318 4.152 ( 0.000 -1.017 -1.794) 2.062 4.152 ( 0.000 -1.017 1.794) 2.062 4.240 ( 0.000 -0.484 -3.735) 3.766 4.240 ( 0.000 -0.484 3.735) 3.766 4.280 ( 0.000 3.812 -6.630) 7.648 4.280 ( 0.000 3.812 6.630) 7.648 4.681 ( 0.000 -1.501 -4.826) 5.054 4.681 ( 0.000 -1.501 4.826) 5.054 4.846 ( 0.000 -2.135 -5.718) 6.104 4.846 ( 0.000 -2.135 5.718) 6.104 4.846 ( 0.000 -4.033 -6.123) 7.332 4.846 ( 0.000 -4.033 6.123) 7.332 5.153 ( 0.000 3.714 -1.525) 4.015 5.153 ( 0.000 3.714 1.525) 4.015 5.282 ( 0.000 0.960 -3.544) 3.672 5.282 ( 0.000 0.960 3.544) 3.672 5.285 ( 0.000 -4.195 -3.426) 5.416 5.285 ( 0.000 -4.195 3.426) 5.416 5.406 ( 0.000 -2.209 -3.640) 4.258 5.406 ( 0.000 -2.209 3.640) 4.258 5.670 ( 0.000 0.505 -2.146) 2.205 5.670 ( 0.000 0.505 2.146) 2.205 6.064 ( 0.000 -5.086 -5.785) 7.702 6.064 ( 0.000 -5.086 5.785) 7.702 7.584 ( 0.000 11.052 -3.318) 11.539 7.584 ( 0.000 11.052 3.318) 11.539 7.830 ( 0.000 7.450 -9.240) 11.869 7.830 ( 0.000 7.450 9.240) 11.869 7.934 ( 0.000 9.154 -10.592) 14.000 7.934 ( 0.000 9.154 10.592) 14.000 7.963 ( 0.000 3.029 -6.394) 7.075 7.963 ( 0.000 3.029 6.394) 7.075 8.519 ( 0.000 0.710 -4.086) 4.147 8.519 ( 0.000 0.710 4.086) 4.147 8.672 ( 0.000 -0.505 -1.440) 1.526 8.672 ( 0.000 -0.505 1.440) 1.526 8.820 ( 0.000 -4.704 -1.490) 4.934 8.820 ( 0.000 -4.704 1.490) 4.934 8.842 ( 0.000 -0.494 -7.954) 7.969 8.842 ( 0.000 -0.494 7.954) 7.969 8.903 ( 0.000 -3.115 -7.047) 7.704 8.903 ( 0.000 -3.115 7.047) 7.704 8.982 ( 0.000 0.656 -1.175) 1.346 8.982 ( 0.000 0.656 1.175) 1.346 9.028 ( 0.000 -2.199 -5.782) 6.186 9.028 ( 0.000 -2.199 5.782) 6.186 9.390 ( 0.000 -0.256 -0.696) 0.741 9.390 ( 0.000 -0.256 0.696) 0.741 9.601 ( 0.000 -2.438 -6.435) 6.882 9.601 ( 0.000 -2.438 6.435) 6.882 9.746 ( 0.000 1.533 -5.730) 5.931 9.746 ( 0.000 1.533 5.730) 5.931 9.832 ( 0.000 -0.325 -5.879) 5.888 9.832 ( 0.000 -0.325 5.879) 5.888 9.837 ( 0.000 6.535 -5.028) 8.245 9.837 ( 0.000 6.535 5.028) 8.245 10.060 ( 0.000 -1.805 -2.242) 2.879 10.060 ( 0.000 -1.805 2.242) 2.879 10.230 ( 0.000 16.214 -6.206) 17.361 10.230 ( 0.000 16.214 6.206) 17.361 10.268 ( 0.000 -0.005 -0.684) 0.684 10.268 ( 0.000 -0.005 0.684) 0.684 10.402 ( 0.000 0.696 -10.159) 10.183 10.402 ( 0.000 0.696 10.159) 10.183 10.544 ( 0.000 -4.331 -2.186) 4.851 10.544 ( 0.000 -4.331 2.186) 4.851 10.684 ( 0.000 1.180 -6.888) 6.988 10.684 ( 0.000 1.180 6.888) 6.988 10.765 ( 0.000 -1.765 -0.601) 1.865 10.765 ( 0.000 -1.765 0.601) 1.865 11.188 ( 0.000 -6.462 -8.748) 10.876 11.188 ( 0.000 -6.462 8.748) 10.876 11.534 ( 0.000 -1.462 -2.461) 2.863 11.534 ( 0.000 -1.462 2.461) 2.863 11.628 ( 0.000 1.297 -2.212) 2.564 11.628 ( 0.000 1.297 2.212) 2.564 11.869 ( 0.000 -1.501 -3.277) 3.605 11.869 ( 0.000 -1.501 3.277) 3.605 12.064 ( 0.000 -0.927 -5.390) 5.469 12.064 ( 0.000 -0.927 5.390) 5.469 12.247 ( 0.000 0.415 -15.861) 15.867 12.247 ( 0.000 0.415 15.861) 15.867 12.365 ( 0.000 1.572 -4.885) 5.132 12.365 ( 0.000 1.572 4.885) 5.132 12.799 ( 0.000 1.721 -16.105) 16.197 12.799 ( 0.000 1.721 16.105) 16.197 12.928 ( 0.000 3.545 -7.533) 8.325 12.928 ( 0.000 3.545 7.533) 8.325 13.419 ( 0.000 0.439 -8.364) 8.375 13.419 ( 0.000 0.439 8.364) 8.375 13.856 ( 0.000 -4.159 -21.131) 21.536 13.856 ( 0.000 -4.159 21.131) 21.536 14.127 ( 0.000 -0.113 -6.148) 6.149 14.127 ( 0.000 -0.113 6.148) 6.149 14.287 ( 0.000 -1.463 -9.434) 9.547 14.287 ( 0.000 -1.463 9.434) 9.547 14.680 ( 0.000 0.314 -9.527) 9.532 14.680 ( 0.000 0.314 9.527) 9.532 14.876 ( 0.000 1.112 -2.258) 2.517 14.876 ( 0.000 1.112 2.258) 2.517 15.335 ( 0.000 2.262 -0.777) 2.392 15.335 ( 0.000 2.262 0.777) 2.392 15.475 ( 0.000 0.513 -4.203) 4.234 15.475 ( 0.000 0.513 4.203) 4.234 15.539 ( 0.000 1.734 -5.857) 6.108 15.539 ( 0.000 1.734 5.857) 6.108 15.812 ( 0.000 1.973 -4.811) 5.200 15.812 ( 0.000 1.973 4.811) 5.200 15.930 ( 0.000 4.141 -1.808) 4.519 15.930 ( 0.000 4.141 1.808) 4.519 16.122 ( 0.000 -1.230 -1.763) 2.149 16.122 ( 0.000 -1.230 1.763) 2.149 16.420 ( 0.000 1.953 -6.337) 6.631 16.420 ( 0.000 1.953 6.337) 6.631 16.670 ( 0.000 -14.982 -2.778) 15.237 16.670 ( 0.000 -14.982 2.778) 15.237 17.485 ( 0.000 0.824 -3.111) 3.218 17.485 ( 0.000 0.824 3.111) 3.218 17.803 ( 0.000 -0.821 -6.570) 6.621 17.803 ( 0.000 -0.821 6.570) 6.621 18.048 ( 0.000 -0.053 -3.055) 3.056 18.048 ( 0.000 -0.053 3.055) 3.056 18.096 ( 0.000 -4.337 -2.111) 4.824 18.096 ( 0.000 -4.337 2.111) 4.824 18.467 ( 0.000 0.452 -4.377) 4.400 18.467 ( 0.000 0.452 4.377) 4.400 18.820 ( 0.000 -4.229 -4.746) 6.357 18.820 ( 0.000 -4.229 4.746) 6.357 18.889 ( 0.000 -3.854 -13.356) 13.901 18.889 ( 0.000 -3.854 13.356) 13.901 19.353 ( 0.000 -12.925 -5.920) 14.216 19.353 ( 0.000 -12.925 5.920) 14.216 ======================= Grid point 102 (35/45) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 8.922 9.632 -15.208) 20.091 1.234 ( 8.922 9.632 15.208) 20.091 1.307 ( 16.874 8.796 -14.040) 23.648 1.307 ( 16.874 8.796 14.040) 23.648 1.825 ( -17.119 3.641 -8.337) 19.386 1.825 ( -17.119 3.641 8.337) 19.386 1.961 ( -12.479 3.766 -16.151) 20.755 1.961 ( -12.479 3.766 16.151) 20.755 2.276 ( 10.200 6.196 -19.837) 23.150 2.276 ( 10.200 6.196 19.837) 23.150 2.420 ( 6.611 -1.217 -1.724) 6.940 2.420 ( 6.611 -1.217 1.724) 6.940 2.487 ( 7.365 0.822 -3.167) 8.059 2.487 ( 7.365 0.822 3.167) 8.059 2.675 ( 3.288 -4.201 -3.610) 6.441 2.675 ( 3.288 -4.201 3.610) 6.441 2.754 ( 2.718 -4.068 -5.628) 7.457 2.754 ( 2.718 -4.068 5.628) 7.457 2.799 ( 1.488 -2.095 -0.314) 2.589 2.799 ( 1.488 -2.095 0.314) 2.589 2.952 ( 2.602 -0.465 -2.916) 3.935 2.952 ( 2.602 -0.465 2.916) 3.935 3.029 ( -3.733 -0.064 -1.297) 3.953 3.029 ( -3.733 -0.064 1.297) 3.953 3.113 ( -4.910 -2.940 -5.337) 7.826 3.113 ( -4.910 -2.940 5.337) 7.826 3.187 ( 1.567 -0.945 -2.614) 3.191 3.187 ( 1.567 -0.945 2.614) 3.191 3.267 ( 0.471 -2.723 -1.596) 3.192 3.267 ( 0.471 -2.723 1.596) 3.192 3.365 ( 0.851 0.362 -3.232) 3.362 3.365 ( 0.851 0.362 3.232) 3.362 3.471 ( -3.023 -3.354 -2.009) 4.942 3.471 ( -3.023 -3.354 2.009) 4.942 3.587 ( -3.432 -1.145 -1.135) 3.791 3.587 ( -3.432 -1.145 1.135) 3.791 3.620 ( -2.342 0.328 -2.039) 3.122 3.620 ( -2.342 0.328 2.039) 3.122 3.690 ( -0.128 2.512 -2.412) 3.485 3.690 ( -0.128 2.512 2.412) 3.485 3.830 ( 1.424 -3.673 -1.244) 4.131 3.830 ( 1.424 -3.673 1.244) 4.131 3.857 ( -1.844 1.427 -3.441) 4.157 3.857 ( -1.844 1.427 3.441) 4.157 3.915 ( -3.213 1.404 -3.089) 4.673 3.915 ( -3.213 1.404 3.089) 4.673 4.019 ( -1.936 0.513 -1.590) 2.558 4.019 ( -1.936 0.513 1.590) 2.558 4.102 ( -1.224 2.093 -2.377) 3.396 4.102 ( -1.224 2.093 2.377) 3.396 4.196 ( -2.826 -2.553 -0.705) 3.873 4.196 ( -2.826 -2.553 0.705) 3.873 4.279 ( -0.073 -1.628 -3.768) 4.105 4.279 ( -0.073 -1.628 3.768) 4.105 4.604 ( -7.286 -5.376 -2.368) 9.359 4.604 ( -7.286 -5.376 2.368) 9.359 4.786 ( 4.810 1.138 -2.498) 5.538 4.786 ( 4.810 1.138 2.498) 5.538 4.982 ( 2.157 3.058 -3.391) 5.050 4.982 ( 2.157 3.058 3.391) 5.050 5.096 ( -1.744 4.511 -2.577) 5.480 5.096 ( -1.744 4.511 2.577) 5.480 5.212 ( -3.335 1.696 -3.365) 5.032 5.212 ( -3.335 1.696 3.365) 5.032 5.413 ( 5.842 -7.089 -2.027) 9.407 5.413 ( 5.842 -7.089 2.027) 9.407 5.474 ( 3.522 -4.211 -2.574) 6.063 5.474 ( 3.522 -4.211 2.574) 6.063 5.742 ( 6.614 -0.370 -1.828) 6.872 5.742 ( 6.614 -0.370 1.828) 6.872 6.018 ( -4.240 -4.475 -5.081) 7.988 6.018 ( -4.240 -4.475 5.081) 7.988 7.625 ( 3.596 10.066 -2.778) 11.044 7.625 ( 3.596 10.066 2.778) 11.044 7.800 ( -2.988 7.230 -6.983) 10.487 7.800 ( -2.988 7.230 6.983) 10.487 7.918 ( 0.058 7.270 -7.964) 10.783 7.918 ( 0.058 7.270 7.964) 10.783 7.973 ( -0.447 6.629 -2.963) 7.275 7.973 ( -0.447 6.629 2.963) 7.275 8.521 ( 0.597 0.893 -4.570) 4.695 8.521 ( 0.597 0.893 4.570) 4.695 8.634 ( -3.382 0.111 -3.326) 4.745 8.634 ( -3.382 0.111 3.326) 4.745 8.813 ( 0.575 -2.559 -4.281) 5.021 8.813 ( 0.575 -2.559 4.281) 5.021 8.869 ( 1.149 -2.837 -3.522) 4.666 8.869 ( 1.149 -2.837 3.522) 4.666 8.920 ( 0.740 -1.512 -4.242) 4.564 8.920 ( 0.740 -1.512 4.242) 4.564 8.980 ( -1.760 -1.854 -4.447) 5.129 8.980 ( -1.760 -1.854 4.447) 5.129 9.056 ( 5.239 -0.230 -0.234) 5.250 9.056 ( 5.239 -0.230 0.234) 5.250 9.355 ( -3.818 -0.947 -0.558) 3.973 9.355 ( -3.818 -0.947 0.558) 3.973 9.610 ( 0.989 -1.793 -5.947) 6.290 9.610 ( 0.989 -1.793 5.947) 6.290 9.706 ( -2.950 1.856 -5.311) 6.353 9.706 ( -2.950 1.856 5.311) 6.353 9.813 ( -1.039 4.415 -3.293) 5.605 9.813 ( -1.039 4.415 3.293) 5.605 9.834 ( -0.593 0.296 -5.276) 5.317 9.834 ( -0.593 0.296 5.276) 5.317 10.082 ( 1.743 0.376 -0.418) 1.832 10.082 ( 1.743 0.376 0.418) 1.832 10.220 ( 0.132 6.015 -1.769) 6.271 10.220 ( 0.132 6.015 1.769) 6.271 10.274 ( -1.957 2.226 -2.440) 3.839 10.274 ( -1.957 2.226 2.440) 3.839 10.342 ( -3.174 -0.974 -2.542) 4.181 10.342 ( -3.174 -0.974 2.542) 4.181 10.505 ( -1.220 0.501 -7.105) 7.227 10.505 ( -1.220 0.501 7.105) 7.227 10.633 ( -3.787 1.442 -3.727) 5.505 10.633 ( -3.787 1.442 3.727) 5.505 10.885 ( 7.874 -3.138 -1.897) 8.686 10.885 ( 7.874 -3.138 1.897) 8.686 11.143 ( -3.942 -5.010 -5.451) 8.388 11.143 ( -3.942 -5.010 5.451) 8.388 11.529 ( 2.846 -1.147 -2.465) 3.936 11.529 ( 2.846 -1.147 2.465) 3.936 11.703 ( -0.034 -0.963 -5.071) 5.161 11.703 ( -0.034 -0.963 5.071) 5.161 11.902 ( 4.976 -0.907 -0.979) 5.152 11.902 ( 4.976 -0.907 0.979) 5.152 12.076 ( -0.440 1.198 -3.557) 3.779 12.076 ( -0.440 1.198 3.557) 3.779 12.279 ( 2.757 -0.935 -13.124) 13.443 12.279 ( 2.757 -0.935 13.124) 13.443 12.363 ( 0.077 0.438 -4.404) 4.426 12.363 ( 0.077 0.438 4.404) 4.426 12.825 ( 5.105 1.889 -14.426) 15.419 12.825 ( 5.105 1.889 14.426) 15.419 13.035 ( 6.780 2.838 -5.996) 9.486 13.035 ( 6.780 2.838 5.996) 9.486 13.438 ( 0.848 0.097 -9.502) 9.540 13.438 ( 0.848 0.097 9.502) 9.540 13.638 ( -15.001 -2.476 -8.992) 17.664 13.638 ( -15.001 -2.476 8.992) 17.664 14.203 ( 2.609 -0.970 -5.495) 6.160 14.203 ( 2.609 -0.970 5.495) 6.160 14.290 ( -0.340 -1.056 -7.944) 8.021 14.290 ( -0.340 -1.056 7.944) 8.021 14.618 ( -3.387 0.436 -7.328) 8.085 14.618 ( -3.387 0.436 7.328) 8.085 14.773 ( -6.650 0.253 -2.693) 7.179 14.773 ( -6.650 0.253 2.693) 7.179 15.335 ( 0.310 2.237 -1.515) 2.720 15.335 ( 0.310 2.237 1.515) 2.720 15.424 ( -3.251 1.289 -2.801) 4.481 15.424 ( -3.251 1.289 2.801) 4.481 15.602 ( 3.607 1.748 -5.266) 6.618 15.602 ( 3.607 1.748 5.266) 6.618 15.724 ( -3.746 2.813 -0.570) 4.719 15.724 ( -3.746 2.813 0.570) 4.719 16.043 ( 5.584 2.948 -2.829) 6.919 16.043 ( 5.584 2.948 2.829) 6.919 16.134 ( 0.495 -0.419 -1.805) 1.918 16.134 ( 0.495 -0.419 1.805) 1.918 16.436 ( 1.746 0.771 -6.599) 6.869 16.436 ( 1.746 0.771 6.599) 6.869 16.593 ( -5.225 -9.491 -1.269) 10.908 16.593 ( -5.225 -9.491 1.269) 10.908 17.675 ( 13.209 -2.642 -4.014) 14.056 17.675 ( 13.209 -2.642 4.014) 14.056 17.852 ( 4.381 -1.249 -6.055) 7.577 17.852 ( 4.381 -1.249 6.055) 7.577 18.030 ( -2.227 -0.746 -1.703) 2.901 18.030 ( -2.227 -0.746 1.703) 2.901 18.053 ( -3.725 -3.402 -1.734) 5.335 18.053 ( -3.725 -3.402 1.734) 5.335 18.495 ( 3.103 -0.406 -4.984) 5.885 18.495 ( 3.103 -0.406 4.984) 5.885 18.752 ( -5.661 -3.433 -4.183) 7.832 18.752 ( -5.661 -3.433 4.183) 7.832 18.952 ( 5.188 -4.688 -11.347) 13.329 18.952 ( 5.188 -4.688 11.347) 13.329 19.266 ( -7.331 -10.286 -7.664) 14.774 19.266 ( -7.331 -10.286 7.664) 14.774 ======================= Grid point 104 (36/45) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -14.512 7.055 -13.376) 20.959 1.484 ( 14.497 7.055 -13.375) 20.948 1.484 ( -14.497 7.055 13.375) 20.948 1.484 ( 14.512 7.055 13.376) 20.959 1.665 ( -15.551 6.665 -17.788) 24.549 1.665 ( 15.543 6.665 -17.787) 24.543 1.665 ( -15.543 6.665 17.787) 24.543 1.665 ( 15.551 6.665 17.788) 24.549 2.475 ( -3.080 -0.470 -6.789) 7.470 2.475 ( 2.964 -0.470 -6.784) 7.418 2.475 ( -2.964 -0.470 6.784) 7.418 2.475 ( 3.080 -0.470 6.789) 7.470 2.661 ( -9.479 -0.581 -11.588) 14.982 2.661 ( 9.296 -0.581 -11.572) 14.854 2.661 ( -9.296 -0.581 11.572) 14.854 2.661 ( 9.479 -0.581 11.588) 14.982 2.777 ( -4.930 -1.477 -3.925) 6.472 2.777 ( 4.926 -1.477 -3.924) 6.469 2.777 ( -4.926 -1.477 3.924) 6.469 2.777 ( 4.930 -1.477 3.925) 6.472 2.954 ( -4.770 -5.175 -7.565) 10.333 2.954 ( 4.770 -5.175 -7.565) 10.333 2.954 ( -4.770 -5.175 7.565) 10.333 2.954 ( 4.770 -5.175 7.565) 10.333 3.126 ( -7.380 0.475 -2.294) 7.743 3.126 ( -2.685 0.475 0.107) 2.729 3.126 ( 2.685 0.475 -0.107) 2.729 3.126 ( 7.380 0.475 2.294) 7.743 3.328 ( -2.771 -0.574 -2.832) 4.004 3.328 ( 2.580 -0.574 -2.812) 3.859 3.328 ( -2.580 -0.574 2.812) 3.859 3.328 ( 2.771 -0.574 2.832) 4.004 3.501 ( -2.929 -1.601 -5.816) 6.706 3.501 ( 1.272 -1.601 -5.749) 6.102 3.501 ( -1.272 -1.601 5.749) 6.102 3.501 ( 2.929 -1.601 5.816) 6.706 3.637 ( -4.226 4.312 -3.551) 7.004 3.637 ( 4.007 4.312 -3.523) 6.860 3.637 ( -4.007 4.312 3.523) 6.860 3.637 ( 4.226 4.312 3.551) 7.004 3.838 ( -0.529 -0.226 -4.134) 4.174 3.838 ( 0.248 -0.226 -4.131) 4.145 3.838 ( -0.248 -0.226 4.131) 4.145 3.838 ( 0.529 -0.226 4.134) 4.174 3.944 ( -4.595 -2.079 -1.752) 5.338 3.944 ( -1.249 -2.078 -0.946) 2.603 3.944 ( 1.249 -2.078 0.946) 2.603 3.944 ( 4.595 -2.078 1.752) 5.338 4.093 ( -1.720 0.346 -2.747) 3.259 4.093 ( 1.719 0.346 -2.747) 3.259 4.093 ( -1.719 0.346 2.747) 3.259 4.093 ( 1.720 0.346 2.747) 3.259 4.422 ( -9.285 -5.571 -0.802) 10.857 4.422 ( -9.274 -5.571 0.788) 10.847 4.422 ( 9.274 -5.571 -0.788) 10.847 4.422 ( 9.285 -5.571 0.802) 10.857 4.921 ( -5.655 5.267 -5.073) 9.244 4.921 ( 3.707 5.267 -4.869) 8.074 4.921 ( -3.707 5.267 4.869) 8.074 4.921 ( 5.655 5.267 5.073) 9.244 5.133 ( -3.807 2.348 -3.233) 5.519 5.133 ( 3.775 2.348 -3.229) 5.495 5.133 ( -3.775 2.348 3.229) 5.495 5.133 ( 3.807 2.348 3.233) 5.519 5.497 ( -1.456 -6.384 -1.273) 6.671 5.497 ( 1.014 -6.384 -1.225) 6.579 5.497 ( -1.014 -6.384 1.225) 6.579 5.497 ( 1.456 -6.384 1.273) 6.671 5.896 ( -6.988 -2.729 -3.464) 8.263 5.896 ( 6.767 -2.729 -3.414) 8.056 5.896 ( -6.767 -2.729 3.414) 8.056 5.896 ( 6.988 -2.729 3.464) 8.263 7.717 ( -4.433 7.956 -2.518) 9.450 7.717 ( 3.002 7.956 -2.271) 8.802 7.717 ( -3.002 7.956 2.271) 8.802 7.717 ( 4.433 7.956 2.518) 9.450 7.943 ( -0.947 7.907 -5.469) 9.661 7.943 ( 0.594 7.907 -5.464) 9.629 7.943 ( -0.594 7.907 5.464) 9.629 7.943 ( 0.947 7.907 5.469) 9.661 8.559 ( -2.881 0.756 -5.305) 6.084 8.559 ( 2.698 0.756 -5.295) 5.990 8.559 ( -2.698 0.756 5.295) 5.990 8.559 ( 2.881 0.756 5.305) 6.084 8.849 ( -2.355 -2.275 -3.043) 4.470 8.849 ( 2.215 -2.275 -3.031) 4.390 8.849 ( -2.215 -2.275 3.031) 4.390 8.849 ( 2.355 -2.275 3.043) 4.470 8.942 ( -1.231 -1.253 -5.985) 6.238 8.942 ( 1.065 -1.253 -5.982) 6.204 8.942 ( -1.065 -1.253 5.982) 6.204 8.942 ( 1.231 -1.253 5.985) 6.238 9.219 ( -8.451 -1.455 -0.597) 8.597 9.219 ( -8.397 -1.455 0.505) 8.538 9.219 ( 8.397 -1.455 -0.505) 8.538 9.219 ( 8.451 -1.455 0.597) 8.597 9.647 ( -2.422 0.129 -5.400) 5.920 9.647 ( 2.400 0.129 -5.399) 5.910 9.647 ( -2.400 0.129 5.399) 5.910 9.647 ( 2.422 0.129 5.400) 5.920 9.811 ( -0.884 2.145 -4.840) 5.367 9.811 ( 0.884 2.145 -4.840) 5.367 9.811 ( -0.884 2.145 4.840) 5.367 9.811 ( 0.884 2.145 4.840) 5.367 10.152 ( -4.362 1.342 -3.434) 5.711 10.152 ( 2.282 1.342 -3.202) 4.155 10.152 ( -2.282 1.342 3.202) 4.155 10.152 ( 4.362 1.342 3.434) 5.711 10.282 ( -2.772 -0.000 -5.233) 5.922 10.282 ( 2.741 -0.000 -5.232) 5.906 10.282 ( -2.741 -0.000 5.232) 5.906 10.282 ( 2.772 -0.000 5.233) 5.922 10.544 ( -3.970 2.134 -3.594) 5.765 10.544 ( 3.791 2.134 -3.572) 5.629 10.544 ( -3.791 2.134 3.572) 5.629 10.544 ( 3.970 2.134 3.594) 5.765 11.037 ( -6.058 -3.814 -2.491) 7.579 11.037 ( 2.816 -3.814 -1.735) 5.048 11.037 ( -2.816 -3.814 1.735) 5.048 11.037 ( 6.058 -3.814 2.491) 7.579 11.627 ( -5.005 -1.718 -7.000) 8.775 11.627 ( 4.502 -1.718 -6.962) 8.467 11.627 ( -4.502 -1.718 6.962) 8.467 11.627 ( 5.005 -1.718 7.000) 8.775 12.019 ( -4.639 0.941 -2.256) 5.244 12.019 ( 3.635 0.941 -2.041) 4.274 12.019 ( -3.635 0.941 2.041) 4.274 12.019 ( 4.639 0.941 2.256) 5.244 12.341 ( -1.997 -0.964 -8.930) 9.201 12.341 ( 1.792 -0.964 -8.925) 9.154 12.341 ( -1.792 -0.964 8.925) 9.154 12.341 ( 1.997 -0.964 8.930) 9.201 13.027 ( -9.994 1.701 -8.039) 12.938 13.027 ( 9.418 1.701 -7.961) 12.449 13.027 ( -9.418 1.701 7.961) 12.449 13.027 ( 9.994 1.701 8.039) 12.938 13.436 ( -1.317 -0.674 -10.018) 10.127 13.436 ( 1.294 -0.674 -10.018) 10.123 13.436 ( -1.294 -0.674 10.018) 10.123 13.436 ( 1.317 -0.674 10.018) 10.127 14.243 ( -2.411 -0.420 -10.096) 10.388 14.243 ( 2.344 -0.420 -10.094) 10.371 14.243 ( -2.344 -0.420 10.094) 10.371 14.243 ( 2.411 -0.420 10.096) 10.388 14.646 ( -4.455 -0.377 -4.532) 6.366 14.646 ( 2.939 -0.377 -4.393) 5.298 14.646 ( -2.939 -0.377 4.393) 5.298 14.646 ( 4.455 -0.377 4.532) 6.366 15.361 ( -2.260 1.980 -2.346) 3.812 15.361 ( 2.259 1.980 -2.346) 3.811 15.361 ( -2.259 1.980 2.346) 3.811 15.361 ( 2.260 1.980 2.346) 3.812 15.666 ( -2.047 2.495 -4.458) 5.503 15.666 ( 1.642 2.495 -4.439) 5.350 15.666 ( -1.642 2.495 4.439) 5.350 15.666 ( 2.047 2.495 4.458) 5.503 16.121 ( -1.907 1.394 -1.952) 3.065 16.121 ( 1.756 1.394 -1.937) 2.963 16.121 ( -1.756 1.394 1.937) 2.963 16.121 ( 1.907 1.394 1.952) 3.065 16.496 ( -3.654 -3.298 -6.049) 7.798 16.496 ( 3.459 -3.298 -6.036) 7.699 16.496 ( -3.459 -3.298 6.036) 7.699 16.496 ( 3.654 -3.298 6.049) 7.798 17.902 ( -6.800 -4.204 -2.968) 8.528 17.902 ( 4.730 -4.204 -2.481) 6.797 17.902 ( -4.730 -4.204 2.481) 6.797 17.902 ( 6.800 -4.204 2.968) 8.528 17.973 ( -3.371 -0.527 -5.951) 6.860 17.973 ( 3.283 -0.527 -5.946) 6.813 17.973 ( -3.283 -0.527 5.946) 6.813 17.973 ( 3.371 -0.527 5.951) 6.860 18.608 ( -7.115 -2.191 -5.393) 9.193 18.608 ( 7.114 -2.191 -5.393) 9.192 18.608 ( -7.114 -2.191 5.393) 9.192 18.608 ( 7.115 -2.191 5.393) 9.193 19.094 ( -7.917 -6.550 -10.155) 14.446 19.094 ( 7.696 -6.550 -10.136) 14.313 19.094 ( -7.696 -6.550 10.136) 14.313 19.094 ( 7.917 -6.550 10.155) 14.446 ======================= Grid point 110 (37/45) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.000 13.565 -14.152) 19.603 1.314 ( 0.000 13.565 14.152) 19.603 1.433 ( 0.000 15.156 -14.969) 21.302 1.433 ( 0.000 15.156 14.969) 21.302 2.148 ( 0.000 -3.647 -9.372) 10.057 2.148 ( 0.000 -3.647 9.372) 10.057 2.189 ( 0.000 3.173 -2.938) 4.324 2.189 ( 0.000 3.173 2.938) 4.324 2.239 ( 0.000 0.826 -2.274) 2.419 2.239 ( 0.000 0.826 2.274) 2.419 2.309 ( 0.000 4.445 -9.605) 10.584 2.309 ( 0.000 4.445 9.605) 10.584 2.429 ( 0.000 10.340 -17.523) 20.347 2.429 ( 0.000 10.340 17.523) 20.347 2.587 ( 0.000 -2.135 -9.745) 9.977 2.587 ( 0.000 -2.135 9.745) 9.977 2.608 ( 0.000 -3.454 -10.244) 10.811 2.608 ( 0.000 -3.454 10.244) 10.811 2.859 ( 0.000 -3.196 -8.787) 9.350 2.859 ( 0.000 -3.196 8.787) 9.350 2.872 ( 0.000 -0.729 -7.269) 7.305 2.872 ( 0.000 -0.729 7.269) 7.305 3.000 ( 0.000 -4.289 -2.883) 5.168 3.000 ( 0.000 -4.289 2.883) 5.168 3.026 ( 0.000 -1.254 -2.015) 2.373 3.026 ( 0.000 -1.254 2.015) 2.373 3.122 ( 0.000 -6.160 -3.563) 7.117 3.122 ( 0.000 -6.160 3.563) 7.117 3.218 ( 0.000 -5.286 -2.740) 5.955 3.218 ( 0.000 -5.286 2.740) 5.955 3.338 ( 0.000 -0.639 -3.794) 3.848 3.338 ( 0.000 -0.639 3.794) 3.848 3.445 ( 0.000 -2.094 -5.272) 5.672 3.445 ( 0.000 -2.094 5.272) 5.672 3.511 ( 0.000 -7.686 -2.883) 8.209 3.511 ( 0.000 -7.686 2.883) 8.209 3.606 ( 0.000 -2.031 -7.691) 7.955 3.606 ( 0.000 -2.031 7.691) 7.955 3.708 ( 0.000 -3.962 -3.602) 5.354 3.708 ( 0.000 -3.962 3.602) 5.354 3.747 ( 0.000 3.023 -4.749) 5.629 3.747 ( 0.000 3.023 4.749) 5.629 3.859 ( 0.000 -2.474 -1.633) 2.965 3.859 ( 0.000 -2.474 1.633) 2.965 4.046 ( 0.000 4.054 -3.050) 5.074 4.046 ( 0.000 4.054 3.050) 5.074 4.059 ( 0.000 2.360 -3.589) 4.295 4.059 ( 0.000 2.360 3.589) 4.295 4.177 ( 0.000 -3.312 -2.853) 4.372 4.177 ( 0.000 -3.312 2.853) 4.372 4.198 ( 0.000 4.851 -4.376) 6.533 4.198 ( 0.000 4.851 4.376) 6.533 4.414 ( 0.000 8.718 -3.206) 9.289 4.414 ( 0.000 8.718 3.206) 9.289 4.668 ( 0.000 -0.614 -3.803) 3.853 4.668 ( 0.000 -0.614 3.803) 3.853 4.758 ( 0.000 -4.140 -7.661) 8.708 4.758 ( 0.000 -4.140 7.661) 8.708 4.820 ( 0.000 0.391 -6.417) 6.429 4.820 ( 0.000 0.391 6.417) 6.429 5.166 ( 0.000 -6.915 -4.092) 8.036 5.166 ( 0.000 -6.915 4.092) 8.036 5.197 ( 0.000 -1.429 -3.492) 3.773 5.197 ( 0.000 -1.429 3.492) 3.773 5.271 ( 0.000 -1.432 -2.674) 3.033 5.271 ( 0.000 -1.432 2.674) 3.033 5.347 ( 0.000 -3.670 -0.913) 3.782 5.347 ( 0.000 -3.670 0.913) 3.782 5.713 ( 0.000 3.427 -5.835) 6.767 5.713 ( 0.000 3.427 5.835) 6.767 5.954 ( 0.000 -4.641 -0.467) 4.664 5.954 ( 0.000 -4.641 0.467) 4.664 7.871 ( 0.000 15.699 -1.574) 15.777 7.871 ( 0.000 15.699 1.574) 15.777 8.026 ( 0.000 10.706 -4.744) 11.710 8.026 ( 0.000 10.706 4.744) 11.710 8.052 ( 0.000 5.479 -4.731) 7.239 8.052 ( 0.000 5.479 4.731) 7.239 8.108 ( 0.000 7.289 -5.365) 9.051 8.108 ( 0.000 7.289 5.365) 9.051 8.540 ( 0.000 1.323 -2.738) 3.041 8.540 ( 0.000 1.323 2.738) 3.041 8.661 ( 0.000 -0.734 -1.413) 1.592 8.661 ( 0.000 -0.734 1.413) 1.592 8.716 ( 0.000 -5.195 -1.396) 5.379 8.716 ( 0.000 -5.195 1.396) 5.379 8.776 ( 0.000 -5.026 -5.734) 7.625 8.776 ( 0.000 -5.026 5.734) 7.625 8.882 ( 0.000 0.557 -5.449) 5.477 8.882 ( 0.000 0.557 5.449) 5.477 8.959 ( 0.000 -4.090 -5.788) 7.088 8.959 ( 0.000 -4.090 5.788) 7.088 8.986 ( 0.000 -0.809 -2.047) 2.201 8.986 ( 0.000 -0.809 2.047) 2.201 9.345 ( 0.000 -4.372 -1.712) 4.695 9.345 ( 0.000 -4.372 1.712) 4.695 9.581 ( 0.000 1.107 -3.911) 4.064 9.581 ( 0.000 1.107 3.911) 4.064 9.750 ( 0.000 -0.168 -6.341) 6.344 9.750 ( 0.000 -0.168 6.341) 6.344 9.817 ( 0.000 -1.170 -5.489) 5.612 9.817 ( 0.000 -1.170 5.489) 5.612 9.966 ( 0.000 6.091 -4.877) 7.803 9.966 ( 0.000 6.091 4.877) 7.803 10.033 ( 0.000 -1.009 -4.296) 4.412 10.033 ( 0.000 -1.009 4.296) 4.412 10.220 ( 0.000 -4.240 -3.013) 5.201 10.220 ( 0.000 -4.240 3.013) 5.201 10.379 ( 0.000 -1.470 -6.085) 6.260 10.379 ( 0.000 -1.470 6.085) 6.260 10.459 ( 0.000 -4.078 -3.903) 5.645 10.459 ( 0.000 -4.078 3.903) 5.645 10.545 ( 0.000 6.553 -5.687) 8.677 10.545 ( 0.000 6.553 5.687) 8.677 10.720 ( 0.000 2.675 -10.159) 10.505 10.720 ( 0.000 2.675 10.159) 10.505 10.805 ( 0.000 8.182 -8.284) 11.643 10.805 ( 0.000 8.182 8.284) 11.643 11.030 ( 0.000 -8.259 -9.580) 12.649 11.030 ( 0.000 -8.259 9.580) 12.649 11.502 ( 0.000 -1.217 -5.375) 5.511 11.502 ( 0.000 -1.217 5.375) 5.511 11.644 ( 0.000 0.026 -2.986) 2.986 11.644 ( 0.000 0.026 2.986) 2.986 11.843 ( 0.000 -0.576 -0.515) 0.773 11.843 ( 0.000 -0.576 0.515) 0.773 12.032 ( 0.000 -2.113 -10.195) 10.411 12.032 ( 0.000 -2.113 10.195) 10.411 12.262 ( 0.000 1.098 -14.383) 14.425 12.262 ( 0.000 1.098 14.383) 14.425 12.398 ( 0.000 1.154 -7.111) 7.204 12.398 ( 0.000 1.154 7.111) 7.204 12.860 ( 0.000 4.403 -13.114) 13.833 12.860 ( 0.000 4.403 13.114) 13.833 13.019 ( 0.000 4.883 -8.322) 9.648 13.019 ( 0.000 4.883 8.322) 9.648 13.429 ( 0.000 0.446 -5.324) 5.343 13.429 ( 0.000 0.446 5.324) 5.343 13.746 ( 0.000 -6.138 -18.505) 19.497 13.746 ( 0.000 -6.138 18.505) 19.497 14.128 ( 0.000 0.244 -6.844) 6.848 14.128 ( 0.000 0.244 6.844) 6.848 14.248 ( 0.000 -2.208 -8.379) 8.665 14.248 ( 0.000 -2.208 8.379) 8.665 14.694 ( 0.000 1.064 -10.207) 10.262 14.694 ( 0.000 1.064 10.207) 10.262 14.891 ( 0.000 -0.078 -4.561) 4.562 14.891 ( 0.000 -0.078 4.561) 4.562 15.396 ( 0.000 3.562 -2.244) 4.210 15.396 ( 0.000 3.562 2.244) 4.210 15.490 ( 0.000 0.873 -4.911) 4.988 15.490 ( 0.000 0.873 4.911) 4.988 15.583 ( 0.000 2.450 -5.199) 5.747 15.583 ( 0.000 2.450 5.199) 5.747 15.865 ( 0.000 2.965 -2.992) 4.212 15.865 ( 0.000 2.965 2.992) 4.212 15.961 ( 0.000 -2.366 -3.124) 3.919 15.961 ( 0.000 -2.366 3.124) 3.919 16.155 ( 0.000 4.116 -3.702) 5.537 16.155 ( 0.000 4.116 3.702) 5.537 16.335 ( 0.000 -14.176 -9.394) 17.006 16.335 ( 0.000 -14.176 9.394) 17.006 16.465 ( 0.000 2.108 -5.321) 5.723 16.465 ( 0.000 2.108 5.321) 5.723 17.512 ( 0.000 1.818 -2.970) 3.482 17.512 ( 0.000 1.818 2.970) 3.482 17.778 ( 0.000 -1.753 -6.337) 6.575 17.778 ( 0.000 -1.753 6.337) 6.575 18.001 ( 0.000 -4.139 -3.467) 5.399 18.001 ( 0.000 -4.139 3.467) 5.399 18.045 ( 0.000 -0.327 -4.150) 4.163 18.045 ( 0.000 -0.327 4.150) 4.163 18.480 ( 0.000 0.752 -3.906) 3.977 18.480 ( 0.000 0.752 3.906) 3.977 18.717 ( 0.000 -4.994 -2.526) 5.597 18.717 ( 0.000 -4.994 2.526) 5.597 18.781 ( 0.000 -6.388 -10.397) 12.202 18.781 ( 0.000 -6.388 10.397) 12.202 19.084 ( 0.000 -12.231 -8.156) 14.701 19.084 ( 0.000 -12.231 8.156) 14.701 ======================= Grid point 112 (38/45) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 8.937 13.119 -8.113) 17.827 1.475 ( 8.937 13.119 8.113) 17.827 1.541 ( 13.041 13.164 -8.405) 20.347 1.541 ( 13.041 13.164 8.405) 20.347 1.939 ( -13.326 7.331 -5.595) 16.206 1.939 ( -13.326 7.331 5.595) 16.206 2.048 ( -7.816 3.951 -13.086) 15.746 2.048 ( -7.816 3.951 13.086) 15.746 2.344 ( 5.915 -2.025 -5.440) 8.287 2.344 ( 5.915 -2.025 5.440) 8.287 2.439 ( 2.758 3.122 -9.316) 10.205 2.439 ( 2.758 3.122 9.316) 10.205 2.508 ( 8.399 0.518 -5.177) 9.880 2.508 ( 8.399 0.518 5.177) 9.880 2.595 ( 1.615 -1.566 -5.795) 6.217 2.595 ( 1.615 -1.566 5.795) 6.217 2.674 ( 4.327 -2.737 -2.813) 5.842 2.674 ( 4.327 -2.737 2.813) 5.842 2.746 ( -3.874 -3.143 -2.857) 5.748 2.746 ( -3.874 -3.143 2.857) 5.748 2.921 ( -3.057 -2.798 -1.565) 4.430 2.921 ( -3.057 -2.798 1.565) 4.430 2.988 ( -3.017 -5.033 -4.029) 7.118 2.988 ( -3.017 -5.033 4.029) 7.118 3.038 ( 2.055 -2.147 -2.137) 3.661 3.038 ( 2.055 -2.147 2.137) 3.661 3.144 ( 2.185 -3.086 -1.481) 4.061 3.144 ( 2.185 -3.086 1.481) 4.061 3.198 ( 0.990 -4.126 -1.667) 4.559 3.198 ( 0.990 -4.126 1.667) 4.559 3.374 ( 1.097 -0.069 -3.655) 3.817 3.374 ( 1.097 -0.069 3.655) 3.817 3.423 ( -1.466 -1.493 -2.887) 3.566 3.423 ( -1.466 -1.493 2.887) 3.566 3.528 ( -1.416 -3.904 -1.125) 4.302 3.528 ( -1.416 -3.904 1.125) 4.302 3.593 ( 1.456 -4.651 -3.933) 6.263 3.593 ( 1.456 -4.651 3.933) 6.263 3.679 ( -0.871 -5.710 -2.172) 6.171 3.679 ( -0.871 -5.710 2.172) 6.171 3.775 ( 2.690 2.979 -2.383) 4.668 3.775 ( 2.690 2.979 2.383) 4.668 3.858 ( 0.123 0.649 -5.461) 5.501 3.858 ( 0.123 0.649 5.461) 5.501 4.007 ( -4.278 5.289 -3.934) 7.858 4.007 ( -4.278 5.289 3.934) 7.858 4.084 ( -3.648 2.289 -0.378) 4.324 4.084 ( -3.648 2.289 0.378) 4.324 4.107 ( -0.811 0.374 -3.507) 3.619 4.107 ( -0.811 0.374 3.507) 3.619 4.193 ( -1.274 3.421 -8.172) 8.950 4.193 ( -1.274 3.421 8.172) 8.950 4.291 ( -5.686 4.418 -2.566) 7.645 4.291 ( -5.686 4.418 2.566) 7.645 4.500 ( -8.968 -3.859 -1.458) 9.871 4.500 ( -8.968 -3.859 1.458) 9.871 4.842 ( 8.709 2.312 -1.047) 9.072 4.842 ( 8.709 2.312 1.047) 9.072 5.017 ( 6.593 0.632 -5.277) 8.468 5.017 ( 6.593 0.632 5.277) 8.468 5.145 ( -2.224 -1.909 -3.226) 4.359 5.145 ( -2.224 -1.909 3.226) 4.359 5.207 ( -1.625 -2.599 -1.815) 3.563 5.207 ( -1.625 -2.599 1.815) 3.563 5.244 ( 2.950 -7.880 -2.241) 8.707 5.244 ( 2.950 -7.880 2.241) 8.707 5.382 ( 0.432 -3.950 -1.232) 4.160 5.382 ( 0.432 -3.950 1.232) 4.160 5.753 ( 3.754 1.501 -4.327) 5.922 5.753 ( 3.754 1.501 4.327) 5.922 5.924 ( -2.724 -3.782 -0.427) 4.680 5.924 ( -2.724 -3.782 0.427) 4.680 7.877 ( 0.737 13.458 -2.007) 13.627 7.877 ( 0.737 13.458 2.007) 13.627 7.971 ( -3.405 8.746 -4.148) 10.261 7.971 ( -3.405 8.746 4.148) 10.261 8.085 ( 2.361 9.301 -0.870) 9.636 8.085 ( 2.361 9.301 0.870) 9.636 8.135 ( 1.098 7.666 -3.088) 8.337 8.135 ( 1.098 7.666 3.088) 8.337 8.546 ( 0.752 1.427 -3.393) 3.757 8.546 ( 0.752 1.427 3.393) 3.757 8.635 ( -2.479 -0.204 -3.786) 4.530 8.635 ( -2.479 -0.204 3.786) 4.530 8.735 ( 1.855 -4.424 -1.327) 4.977 8.735 ( 1.855 -4.424 1.327) 4.977 8.798 ( 1.532 -4.450 -5.132) 6.963 8.798 ( 1.532 -4.450 5.132) 6.963 8.895 ( 0.944 -0.732 -1.297) 1.763 8.895 ( 0.944 -0.732 1.297) 1.763 8.920 ( -2.422 -3.651 -5.585) 7.098 8.920 ( -2.422 -3.651 5.585) 7.098 9.036 ( 4.095 -1.944 -1.814) 4.883 9.036 ( 4.095 -1.944 1.814) 4.883 9.298 ( -4.646 -4.863 -1.773) 6.955 9.298 ( -4.646 -4.863 1.773) 6.955 9.598 ( 1.816 1.233 -3.228) 3.904 9.598 ( 1.816 1.233 3.228) 3.904 9.716 ( -2.589 0.142 -5.436) 6.023 9.716 ( -2.589 0.142 5.436) 6.023 9.835 ( 1.172 -0.246 -4.893) 5.038 9.835 ( 1.172 -0.246 4.893) 5.038 9.918 ( -3.037 4.728 -2.515) 6.156 9.918 ( -3.037 4.728 2.515) 6.156 10.074 ( 3.000 -0.669 -1.707) 3.516 10.074 ( 3.000 -0.669 1.707) 3.516 10.219 ( -0.233 -3.062 -3.001) 4.294 10.219 ( -0.233 -3.062 3.001) 4.294 10.312 ( -2.957 -0.800 -2.737) 4.107 10.312 ( -2.957 -0.800 2.737) 4.107 10.394 ( -7.205 3.653 -10.630) 13.351 10.394 ( -7.205 3.653 10.630) 13.351 10.573 ( 2.325 2.635 -4.421) 5.647 10.573 ( 2.325 2.635 4.421) 5.647 10.696 ( -3.411 5.298 -3.306) 7.116 10.696 ( -3.411 5.298 3.306) 7.116 10.831 ( 4.420 -0.354 -2.515) 5.098 10.831 ( 4.420 -0.354 2.515) 5.098 11.023 ( -1.595 -5.685 -9.208) 10.938 11.023 ( -1.595 -5.685 9.208) 10.938 11.503 ( 2.041 -1.085 -3.476) 4.175 11.503 ( 2.041 -1.085 3.476) 4.175 11.674 ( -1.731 -1.681 -5.836) 6.315 11.674 ( -1.731 -1.681 5.836) 6.315 11.878 ( 5.983 -1.337 -2.027) 6.457 11.878 ( 5.983 -1.337 2.027) 6.457 12.101 ( 2.036 0.900 -3.726) 4.340 12.101 ( 2.036 0.900 3.726) 4.340 12.253 ( 0.895 -1.300 -12.965) 13.060 12.253 ( 0.895 -1.300 12.965) 13.060 12.377 ( -1.764 0.742 -5.359) 5.691 12.377 ( -1.764 0.742 5.359) 5.691 12.885 ( 4.558 4.118 -11.605) 13.130 12.885 ( 4.558 4.118 11.605) 13.130 13.106 ( 5.478 3.581 -7.687) 10.096 13.106 ( 5.478 3.581 7.687) 10.096 13.435 ( -0.488 -0.528 -6.462) 6.502 13.435 ( -0.488 -0.528 6.462) 6.502 13.577 ( -12.052 -3.164 -10.372) 16.212 13.577 ( -12.052 -3.164 10.372) 16.212 14.182 ( 2.649 -0.912 -3.603) 4.564 14.182 ( 2.649 -0.912 3.603) 4.564 14.258 ( 0.449 -1.914 -5.571) 5.908 14.258 ( 0.449 -1.914 5.571) 5.908 14.634 ( -3.853 1.083 -6.887) 7.965 14.634 ( -3.853 1.083 6.887) 7.965 14.771 ( -7.851 -0.614 -3.122) 8.471 14.771 ( -7.851 -0.614 3.122) 8.471 15.395 ( 0.106 3.338 -2.976) 4.473 15.395 ( 0.106 3.338 2.976) 4.473 15.458 ( -2.301 1.844 -4.222) 5.150 15.458 ( -2.301 1.844 4.222) 5.150 15.650 ( 4.348 2.728 -3.236) 6.068 15.650 ( 4.348 2.728 3.236) 6.068 15.791 ( -3.331 3.269 -2.533) 5.311 15.791 ( -3.331 3.269 2.533) 5.311 16.040 ( 4.458 -2.914 -2.447) 5.862 16.040 ( 4.458 -2.914 2.447) 5.862 16.194 ( -0.196 5.239 -2.335) 5.739 16.194 ( -0.196 5.239 2.335) 5.739 16.357 ( 3.478 -11.168 -1.267) 11.765 16.357 ( 3.478 -11.168 1.267) 11.765 16.464 ( -0.386 1.457 -5.627) 5.825 16.464 ( -0.386 1.457 5.627) 5.825 17.625 ( 8.955 -1.703 -2.976) 9.589 17.625 ( 8.955 -1.703 2.976) 9.589 17.810 ( 2.538 -3.074 -5.421) 6.729 17.810 ( 2.538 -3.074 5.421) 6.729 17.968 ( -2.648 -3.048 -4.163) 5.800 17.968 ( -2.648 -3.048 4.163) 5.800 18.025 ( -2.137 -0.778 -4.251) 4.821 18.025 ( -2.137 -0.778 4.251) 4.821 18.491 ( 1.533 0.080 -3.715) 4.019 18.491 ( 1.533 0.080 3.715) 4.019 18.667 ( -4.358 -4.204 -2.904) 6.716 18.667 ( -4.358 -4.204 2.904) 6.716 18.830 ( 4.165 -6.690 -9.955) 12.696 18.830 ( 4.165 -6.690 9.955) 12.696 19.040 ( -3.937 -10.746 -8.471) 14.238 19.040 ( -3.937 -10.746 8.471) 14.238 ======================= Grid point 114 (39/45) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 37 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -11.174 11.282 -8.974) 18.239 1.676 ( 11.137 11.282 -8.969) 18.214 1.676 ( -11.137 11.282 8.969) 18.214 1.676 ( 11.174 11.282 8.974) 18.239 1.840 ( -12.263 9.724 -14.181) 21.119 1.840 ( 12.246 9.724 -14.179) 21.108 1.840 ( -12.246 9.724 14.179) 21.108 1.840 ( 12.263 9.724 14.181) 21.119 2.454 ( -2.906 -1.756 -8.101) 8.784 2.454 ( 2.865 -1.756 -8.100) 8.769 2.454 ( -2.865 -1.756 8.100) 8.769 2.454 ( 2.906 -1.756 8.101) 8.784 2.605 ( -1.659 -4.475 -5.763) 7.483 2.605 ( 1.648 -4.475 -5.763) 7.480 2.605 ( -1.648 -4.475 5.763) 7.480 2.605 ( 1.659 -4.475 5.763) 7.483 2.750 ( -1.994 -3.272 -3.624) 5.274 2.750 ( 1.864 -3.272 -3.616) 5.221 2.750 ( -1.864 -3.272 3.616) 5.221 2.750 ( 1.994 -3.272 3.624) 5.274 2.859 ( -4.948 -1.302 -4.693) 6.943 2.859 ( 4.556 -1.302 -4.649) 6.638 2.859 ( -4.556 -1.302 4.649) 6.638 2.859 ( 4.948 -1.302 4.693) 6.943 3.122 ( -4.000 -1.602 -2.519) 4.991 3.122 ( 2.237 -1.602 -2.264) 3.563 3.122 ( -2.237 -1.602 2.264) 3.563 3.122 ( 4.000 -1.602 2.519) 4.991 3.293 ( -5.025 -2.546 -3.919) 6.862 3.293 ( 2.823 -2.546 -3.666) 5.281 3.293 ( -2.823 -2.546 3.666) 5.281 3.293 ( 5.025 -2.546 3.919) 6.862 3.467 ( -2.805 -1.716 -4.407) 5.499 3.467 ( 2.174 -1.716 -4.368) 5.172 3.467 ( -2.174 -1.716 4.368) 5.172 3.467 ( 2.805 -1.716 4.407) 5.499 3.649 ( -2.346 -6.110 -2.115) 6.878 3.649 ( 1.155 -6.110 -2.002) 6.533 3.649 ( -1.155 -6.110 2.002) 6.533 3.649 ( 2.346 -6.110 2.115) 6.878 3.864 ( -3.085 4.902 -5.956) 8.308 3.864 ( 2.525 4.902 -5.927) 8.095 3.864 ( -2.525 4.902 5.927) 8.095 3.864 ( 3.085 4.902 5.956) 8.308 3.952 ( -5.732 4.075 -3.199) 7.726 3.952 ( -2.970 4.075 -2.751) 5.744 3.952 ( 2.970 4.075 2.751) 5.744 3.952 ( 5.732 4.075 3.199) 7.726 4.114 ( -3.121 1.652 -4.825) 5.979 4.114 ( 2.945 1.652 -4.813) 5.879 4.114 ( -2.945 1.652 4.813) 5.879 4.114 ( 3.121 1.652 4.825) 5.979 4.348 ( -6.200 -1.119 -2.332) 6.718 4.348 ( 3.904 -1.119 -1.691) 4.399 4.348 ( -3.904 -1.119 1.691) 4.399 4.348 ( 6.200 -1.119 2.332) 6.718 5.012 ( -6.140 1.794 -2.959) 7.048 5.012 ( 2.926 1.794 -2.349) 4.159 5.012 ( -2.926 1.794 2.349) 4.159 5.012 ( 6.140 1.794 2.959) 7.048 5.145 ( -2.428 -1.413 -3.058) 4.152 5.145 ( 2.249 -1.413 -3.042) 4.039 5.145 ( -2.249 -1.413 3.042) 4.039 5.145 ( 2.428 -1.413 3.058) 4.152 5.343 ( -3.913 -7.309 -1.464) 8.419 5.343 ( 2.995 -7.309 -1.200) 7.990 5.343 ( -2.995 -7.309 1.200) 7.990 5.343 ( 3.913 -7.309 1.464) 8.419 5.846 ( -4.317 -1.576 -2.293) 5.136 5.846 ( 2.779 -1.576 -2.012) 3.775 5.846 ( -2.779 -1.576 2.012) 3.775 5.846 ( 4.317 -1.576 2.293) 5.136 7.909 ( -2.120 10.310 -3.786) 11.186 7.909 ( 1.887 10.310 -3.772) 11.140 7.909 ( -1.887 10.310 3.772) 11.140 7.909 ( 2.120 10.310 3.786) 11.186 8.131 ( -0.902 9.293 -2.624) 9.698 8.131 ( 0.452 9.293 -2.611) 9.663 8.131 ( -0.452 9.293 2.611) 9.663 8.131 ( 0.902 9.293 2.624) 9.698 8.578 ( -2.178 0.969 -5.190) 5.711 8.578 ( 2.059 0.969 -5.185) 5.662 8.578 ( -2.059 0.969 5.185) 5.662 8.578 ( 2.178 0.969 5.190) 5.711 8.787 ( -2.618 -3.755 -3.225) 5.600 8.787 ( 2.609 -3.755 -3.224) 5.595 8.787 ( -2.609 -3.755 3.224) 5.595 8.787 ( 2.618 -3.755 3.225) 5.600 8.901 ( -0.378 -2.508 -4.383) 5.064 8.901 ( 0.369 -2.508 -4.383) 5.063 8.901 ( -0.369 -2.508 4.383) 5.063 8.901 ( 0.378 -2.508 4.383) 5.064 9.161 ( -6.628 -4.430 -2.543) 8.368 9.161 ( -2.054 -4.430 -1.433) 5.089 9.161 ( 2.054 -4.430 1.433) 5.089 9.161 ( 6.628 -4.430 2.543) 8.368 9.654 ( -2.909 1.033 -3.731) 4.842 9.654 ( 2.470 1.033 -3.695) 4.563 9.654 ( -2.470 1.033 3.695) 4.563 9.654 ( 2.909 1.033 3.731) 4.842 9.865 ( -1.846 2.309 -3.663) 4.707 9.865 ( 1.807 2.309 -3.661) 4.690 9.865 ( -1.807 2.309 3.661) 4.690 9.865 ( 1.846 2.309 3.663) 4.707 10.163 ( -5.241 -0.256 -4.561) 6.953 10.163 ( 5.022 -0.256 -4.534) 6.770 10.163 ( -5.022 -0.256 4.534) 6.770 10.163 ( 5.241 -0.256 4.561) 6.953 10.292 ( -2.153 1.055 -4.219) 4.853 10.292 ( 2.113 1.055 -4.217) 4.833 10.292 ( -2.113 1.055 4.217) 4.833 10.292 ( 2.153 1.055 4.219) 4.853 10.620 ( -2.890 4.313 -5.454) 7.531 10.620 ( 2.839 4.313 -5.451) 7.509 10.620 ( -2.839 4.313 5.451) 7.509 10.620 ( 2.890 4.313 5.454) 7.531 10.948 ( -5.133 -3.764 -5.935) 8.703 10.948 ( 4.809 -3.764 -5.905) 8.495 10.948 ( -4.809 -3.764 5.905) 8.495 10.948 ( 5.133 -3.764 5.935) 8.703 11.587 ( -4.595 -1.947 -5.788) 7.643 11.587 ( 3.645 -1.947 -5.713) 7.051 11.587 ( -3.645 -1.947 5.713) 7.051 11.587 ( 4.595 -1.947 5.788) 7.643 12.031 ( -6.471 -0.063 -4.432) 7.844 12.031 ( 4.558 -0.063 -4.159) 6.171 12.031 ( -4.558 -0.063 4.159) 6.171 12.031 ( 6.471 -0.063 4.432) 7.844 12.322 ( -2.657 -0.708 -7.804) 8.274 12.322 ( 1.979 -0.708 -7.781) 8.060 12.322 ( -1.979 -0.708 7.781) 8.060 12.322 ( 2.657 -0.708 7.804) 8.274 13.071 ( -9.598 2.380 -7.281) 12.280 13.071 ( 6.431 2.380 -6.882) 9.715 13.071 ( -6.431 2.380 6.882) 9.715 13.071 ( 9.598 2.380 7.281) 12.280 13.420 ( -2.546 -0.833 -10.842) 11.168 13.420 ( 2.404 -0.833 -10.838) 11.133 13.420 ( -2.404 -0.833 10.838) 11.133 13.420 ( 2.546 -0.833 10.842) 11.168 14.230 ( -2.147 -0.778 -10.868) 11.106 14.230 ( 2.040 -0.778 -10.866) 11.083 14.230 ( -2.040 -0.778 10.866) 11.083 14.230 ( 2.147 -0.778 10.868) 11.106 14.637 ( -2.437 -0.544 -6.980) 7.413 14.637 ( 1.021 -0.544 -6.941) 7.037 14.637 ( -1.021 -0.544 6.941) 7.037 14.637 ( 2.437 -0.544 6.980) 7.413 15.412 ( -1.633 2.783 -3.958) 5.106 15.412 ( 1.632 2.783 -3.957) 5.106 15.412 ( -1.632 2.783 3.957) 5.106 15.412 ( 1.633 2.783 3.958) 5.106 15.730 ( -1.907 3.406 -4.319) 5.822 15.730 ( 0.743 3.406 -4.279) 5.519 15.730 ( -0.743 3.406 4.279) 5.519 15.730 ( 1.907 3.406 4.319) 5.822 16.133 ( -4.198 -0.904 -3.162) 5.333 16.133 ( 3.946 -0.904 -3.125) 5.114 16.133 ( -3.946 -0.904 3.125) 5.114 16.133 ( 4.198 -0.904 3.162) 5.333 16.435 ( -2.581 -1.592 -5.992) 6.716 16.435 ( 2.525 -1.592 -5.990) 6.692 16.435 ( -2.525 -1.592 5.990) 6.692 16.435 ( 2.581 -1.592 5.992) 6.716 17.798 ( -5.649 -5.294 -1.974) 7.990 17.798 ( 0.415 -5.294 -0.609) 5.345 17.798 ( -0.415 -5.294 0.609) 5.345 17.798 ( 5.649 -5.294 1.974) 7.990 17.960 ( -2.792 -0.742 -6.374) 6.998 17.960 ( 2.562 -0.742 -6.363) 6.900 17.960 ( -2.562 -0.742 6.363) 6.900 17.960 ( 2.792 -0.742 6.374) 6.998 18.561 ( -4.899 -2.004 -3.467) 6.328 18.561 ( 4.828 -2.004 -3.456) 6.267 18.561 ( -4.828 -2.004 3.456) 6.267 18.561 ( 4.899 -2.004 3.467) 6.328 18.936 ( -5.220 -8.177 -9.774) 13.771 18.936 ( 4.965 -8.177 -9.760) 13.666 18.936 ( -4.965 -8.177 9.760) 13.666 18.936 ( 5.220 -8.177 9.774) 13.771 ======================= Grid point 120 (40/45) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 0.000 13.279 -9.436) 16.290 1.595 ( 0.000 13.279 9.436) 16.290 1.740 ( 0.000 14.296 -12.806) 19.193 1.740 ( 0.000 14.296 12.806) 19.193 2.025 ( 0.000 -7.280 -5.023) 8.844 2.025 ( 0.000 -7.280 5.023) 8.844 2.193 ( 0.000 -5.936 -8.405) 10.290 2.193 ( 0.000 -5.936 8.405) 10.290 2.287 ( 0.000 6.062 -2.745) 6.655 2.287 ( 0.000 6.062 2.745) 6.655 2.432 ( 0.000 6.682 -2.389) 7.096 2.432 ( 0.000 6.682 2.389) 7.096 2.542 ( 0.000 -0.156 -8.880) 8.882 2.542 ( 0.000 -0.156 8.880) 8.882 2.562 ( 0.000 -1.251 -7.723) 7.823 2.562 ( 0.000 -1.251 7.723) 7.823 2.641 ( 0.000 6.301 -5.942) 8.660 2.641 ( 0.000 6.301 5.942) 8.660 2.734 ( 0.000 -8.769 -4.241) 9.740 2.734 ( 0.000 -8.769 4.241) 9.740 2.793 ( 0.000 -1.296 -8.760) 8.855 2.793 ( 0.000 -1.296 8.760) 8.855 2.970 ( 0.000 -7.263 -3.318) 7.985 2.970 ( 0.000 -7.263 3.318) 7.985 3.010 ( 0.000 2.087 -4.601) 5.052 3.010 ( 0.000 2.087 4.601) 5.052 3.021 ( 0.000 0.504 -1.902) 1.968 3.021 ( 0.000 0.504 1.902) 1.968 3.125 ( 0.000 -3.630 -6.923) 7.817 3.125 ( 0.000 -3.630 6.923) 7.817 3.271 ( 0.000 -7.064 -4.307) 8.274 3.271 ( 0.000 -7.064 4.307) 8.274 3.383 ( 0.000 -4.163 -4.303) 5.987 3.383 ( 0.000 -4.163 4.303) 5.987 3.384 ( 0.000 -3.009 -2.459) 3.886 3.384 ( 0.000 -3.009 2.459) 3.886 3.572 ( 0.000 -0.894 -6.552) 6.613 3.572 ( 0.000 -0.894 6.552) 6.613 3.624 ( 0.000 -3.655 -3.542) 5.089 3.624 ( 0.000 -3.655 3.542) 5.089 3.804 ( 0.000 0.976 -5.342) 5.430 3.804 ( 0.000 0.976 5.342) 5.430 3.824 ( 0.000 -1.045 -3.145) 3.314 3.824 ( 0.000 -1.045 3.145) 3.314 4.079 ( 0.000 3.068 -7.582) 8.179 4.079 ( 0.000 3.068 7.582) 8.179 4.117 ( 0.000 2.600 -1.206) 2.866 4.117 ( 0.000 2.600 1.206) 2.866 4.235 ( 0.000 7.071 -0.633) 7.100 4.235 ( 0.000 7.071 0.633) 7.100 4.333 ( 0.000 7.231 -2.231) 7.568 4.333 ( 0.000 7.231 2.231) 7.568 4.553 ( 0.000 2.585 -5.426) 6.010 4.553 ( 0.000 2.585 5.426) 6.010 4.624 ( 0.000 -2.605 -10.216) 10.543 4.624 ( 0.000 -2.605 10.216) 10.543 4.721 ( 0.000 1.647 -2.874) 3.312 4.721 ( 0.000 1.647 2.874) 3.312 4.831 ( 0.000 -2.504 -4.319) 4.993 4.831 ( 0.000 -2.504 4.319) 4.993 5.040 ( 0.000 -3.662 -2.100) 4.222 5.040 ( 0.000 -3.662 2.100) 4.222 5.060 ( 0.000 -8.862 -3.640) 9.580 5.060 ( 0.000 -8.862 3.640) 9.580 5.258 ( 0.000 -0.951 -3.607) 3.730 5.258 ( 0.000 -0.951 3.607) 3.730 5.264 ( 0.000 -3.837 -2.183) 4.414 5.264 ( 0.000 -3.837 2.183) 4.414 5.790 ( 0.000 3.657 -7.337) 8.198 5.790 ( 0.000 3.657 7.337) 8.198 5.890 ( 0.000 -1.930 -4.347) 4.757 5.890 ( 0.000 -1.930 4.347) 4.757 8.165 ( 0.000 10.152 -3.800) 10.840 8.165 ( 0.000 10.152 3.800) 10.840 8.179 ( 0.000 7.915 -3.204) 8.539 8.179 ( 0.000 7.915 3.204) 8.539 8.222 ( 0.000 5.671 -2.863) 6.353 8.222 ( 0.000 5.671 2.863) 6.353 8.235 ( 0.000 6.907 -5.136) 8.607 8.235 ( 0.000 6.907 5.136) 8.607 8.555 ( 0.000 -0.964 -0.777) 1.238 8.555 ( 0.000 -0.964 0.777) 1.238 8.593 ( 0.000 -5.391 -1.640) 5.635 8.593 ( 0.000 -5.391 1.640) 5.635 8.663 ( 0.000 -0.037 -2.331) 2.331 8.663 ( 0.000 -0.037 2.331) 2.331 8.698 ( 0.000 -1.225 -7.938) 8.032 8.698 ( 0.000 -1.225 7.938) 8.032 8.843 ( 0.000 -3.691 -3.583) 5.144 8.843 ( 0.000 -3.691 3.583) 5.144 8.937 ( 0.000 -3.852 -4.854) 6.196 8.937 ( 0.000 -3.852 4.854) 6.196 8.944 ( 0.000 3.078 -7.890) 8.469 8.944 ( 0.000 3.078 7.890) 8.469 9.216 ( 0.000 -7.836 -0.642) 7.862 9.216 ( 0.000 -7.836 0.642) 7.862 9.645 ( 0.000 4.533 -1.241) 4.700 9.645 ( 0.000 4.533 1.241) 4.700 9.766 ( 0.000 2.195 -6.058) 6.443 9.766 ( 0.000 2.195 6.058) 6.443 9.784 ( 0.000 -2.037 -5.205) 5.590 9.784 ( 0.000 -2.037 5.205) 5.590 9.978 ( 0.000 -5.268 -3.859) 6.531 9.978 ( 0.000 -5.268 3.859) 6.531 10.092 ( 0.000 6.196 -3.690) 7.212 10.092 ( 0.000 6.196 3.690) 7.212 10.165 ( 0.000 0.219 -4.560) 4.566 10.165 ( 0.000 0.219 4.560) 4.566 10.316 ( 0.000 -4.045 -4.158) 5.801 10.316 ( 0.000 -4.045 4.158) 5.801 10.363 ( 0.000 -5.362 -3.838) 6.594 10.363 ( 0.000 -5.362 3.838) 6.594 10.609 ( 0.000 2.846 -12.340) 12.664 10.609 ( 0.000 2.846 12.340) 12.664 10.775 ( 0.000 0.443 -12.645) 12.653 10.775 ( 0.000 0.443 12.645) 12.653 10.886 ( 0.000 -3.585 -7.766) 8.554 10.886 ( 0.000 -3.585 7.766) 8.554 10.947 ( 0.000 2.517 -7.510) 7.920 10.947 ( 0.000 2.517 7.510) 7.920 11.509 ( 0.000 2.156 -6.442) 6.793 11.509 ( 0.000 2.156 6.442) 6.793 11.624 ( 0.000 -1.946 -2.816) 3.423 11.624 ( 0.000 -1.946 2.816) 3.423 11.857 ( 0.000 2.018 -6.353) 6.666 11.857 ( 0.000 2.018 6.353) 6.666 11.980 ( 0.000 -2.938 -13.237) 13.559 11.980 ( 0.000 -2.938 13.237) 13.559 12.295 ( 0.000 2.165 -13.086) 13.264 12.295 ( 0.000 2.165 13.086) 13.264 12.395 ( 0.000 -1.480 -10.400) 10.504 12.395 ( 0.000 -1.480 10.400) 10.504 12.975 ( 0.000 6.248 -11.027) 12.674 12.975 ( 0.000 6.248 11.027) 12.674 13.100 ( 0.000 2.171 -10.408) 10.632 13.100 ( 0.000 2.171 10.408) 10.632 13.444 ( 0.000 1.470 -2.297) 2.727 13.444 ( 0.000 1.470 2.297) 2.727 13.618 ( 0.000 -6.140 -14.020) 15.306 13.618 ( 0.000 -6.140 14.020) 15.306 14.140 ( 0.000 0.920 -6.405) 6.471 14.140 ( 0.000 0.920 6.405) 6.471 14.203 ( 0.000 -2.101 -7.027) 7.335 14.203 ( 0.000 -2.101 7.027) 7.335 14.728 ( 0.000 2.396 -10.269) 10.545 14.728 ( 0.000 2.396 10.269) 10.545 14.861 ( 0.000 -2.800 -7.226) 7.750 14.861 ( 0.000 -2.800 7.226) 7.750 15.469 ( 0.000 3.114 -4.123) 5.167 15.469 ( 0.000 3.114 4.123) 5.167 15.507 ( 0.000 0.674 -5.364) 5.406 15.507 ( 0.000 0.674 5.364) 5.406 15.640 ( 0.000 3.338 -3.495) 4.833 15.640 ( 0.000 3.338 3.495) 4.833 15.866 ( 0.000 -6.459 -1.933) 6.742 15.866 ( 0.000 -6.459 1.933) 6.742 15.924 ( 0.000 2.633 -5.807) 6.376 15.924 ( 0.000 2.633 5.807) 6.376 16.059 ( 0.000 -6.792 -10.733) 12.702 16.059 ( 0.000 -6.792 10.733) 12.702 16.332 ( 0.000 6.620 -1.709) 6.837 16.332 ( 0.000 6.620 1.709) 6.837 16.488 ( 0.000 -0.219 -4.360) 4.366 16.488 ( 0.000 -0.219 4.360) 4.366 17.561 ( 0.000 3.052 -2.456) 3.918 17.561 ( 0.000 3.052 2.456) 3.918 17.721 ( 0.000 -3.819 -4.830) 6.158 17.721 ( 0.000 -3.819 4.830) 6.158 17.955 ( 0.000 -0.099 -4.728) 4.729 17.955 ( 0.000 -0.099 4.728) 4.729 18.028 ( 0.000 -1.547 -5.189) 5.415 18.028 ( 0.000 -1.547 5.189) 5.415 18.494 ( 0.000 0.695 -2.874) 2.957 18.494 ( 0.000 0.695 2.874) 2.957 18.644 ( 0.000 -6.528 -6.442) 9.172 18.644 ( 0.000 -6.528 6.442) 9.172 18.659 ( 0.000 0.145 -0.969) 0.980 18.659 ( 0.000 0.145 0.969) 0.980 18.868 ( 0.000 -8.921 -5.802) 10.642 18.868 ( 0.000 -8.921 5.802) 10.642 ======================= Grid point 122 (41/45) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 10.132 12.650 -7.558) 17.883 1.745 ( 10.132 12.650 7.558) 17.883 1.812 ( 8.211 12.781 -9.995) 18.184 1.812 ( 8.211 12.781 9.995) 18.184 2.058 ( 0.269 -0.015 -8.613) 8.617 2.058 ( 0.269 -0.015 8.613) 8.617 2.143 ( -7.535 7.930 -3.418) 11.461 2.143 ( -7.535 7.930 3.418) 11.461 2.260 ( 5.156 -5.409 -7.268) 10.424 2.260 ( 5.156 -5.409 7.268) 10.424 2.441 ( 0.377 -1.913 -4.815) 5.194 2.441 ( 0.377 -1.913 4.815) 5.194 2.483 ( -4.418 -0.956 -9.762) 10.758 2.483 ( -4.418 -0.956 9.762) 10.758 2.586 ( -2.702 -5.296 -3.118) 6.713 2.586 ( -2.702 -5.296 3.118) 6.713 2.655 ( 2.352 0.764 -0.700) 2.570 2.655 ( 2.352 0.765 0.700) 2.570 2.723 ( 0.875 2.284 -2.824) 3.736 2.723 ( 0.875 2.284 2.824) 3.736 2.847 ( -0.323 -2.807 -2.645) 3.871 2.847 ( -0.323 -2.807 2.645) 3.871 2.893 ( -2.504 -2.607 -1.244) 3.823 2.893 ( -2.504 -2.607 1.244) 3.823 3.016 ( 2.387 -1.666 -2.497) 3.835 3.016 ( 2.387 -1.666 2.497) 3.835 3.064 ( 1.283 -3.587 -1.604) 4.133 3.064 ( 1.283 -3.587 1.604) 4.133 3.135 ( 1.926 -1.121 -1.123) 2.495 3.135 ( 1.926 -1.121 1.123) 2.495 3.326 ( 0.978 -6.464 -7.018) 9.591 3.326 ( 0.978 -6.464 7.018) 9.591 3.385 ( 2.110 -0.995 -2.413) 3.356 3.385 ( 2.110 -0.995 2.413) 3.356 3.438 ( 3.458 -4.287 -2.933) 6.240 3.438 ( 3.458 -4.287 2.933) 6.240 3.498 ( -3.899 -3.026 -1.912) 5.293 3.498 ( -3.899 -3.026 1.912) 5.293 3.565 ( -4.189 -3.457 -2.029) 5.798 3.565 ( -4.189 -3.457 2.029) 5.798 3.836 ( 2.599 1.474 -2.192) 3.706 3.836 ( 2.599 1.474 2.192) 3.706 3.915 ( 5.578 1.540 -4.661) 7.430 3.915 ( 5.578 1.540 4.661) 7.430 4.043 ( -0.245 -0.139 -4.457) 4.466 4.043 ( -0.245 -0.139 4.457) 4.466 4.110 ( -3.478 6.937 -3.454) 8.494 4.110 ( -3.478 6.937 3.454) 8.494 4.211 ( -1.498 4.410 -2.830) 5.450 4.211 ( -1.498 4.410 2.830) 5.450 4.326 ( -1.287 8.098 -6.062) 10.197 4.326 ( -1.287 8.098 6.062) 10.197 4.402 ( -7.406 3.074 -1.647) 8.186 4.402 ( -7.406 3.074 1.647) 8.186 4.479 ( -9.312 3.084 -4.128) 10.642 4.479 ( -9.312 3.084 4.128) 10.642 4.827 ( 7.823 -2.782 -4.158) 9.286 4.827 ( 7.823 -2.782 4.158) 9.286 4.978 ( 5.306 -6.583 -5.763) 10.233 4.978 ( 5.306 -6.583 5.763) 10.233 5.004 ( -1.557 -9.125 -2.937) 9.711 5.004 ( -1.557 -9.125 2.937) 9.711 5.116 ( -0.461 -4.937 -2.964) 5.777 5.116 ( -0.461 -4.937 2.964) 5.777 5.151 ( 1.382 -0.488 -4.871) 5.087 5.151 ( 1.382 -0.488 4.871) 5.087 5.346 ( 0.763 -0.200 -3.803) 3.884 5.346 ( 0.763 -0.200 3.803) 3.884 5.796 ( 0.986 2.395 -7.062) 7.522 5.796 ( 0.986 2.395 7.062) 7.522 5.874 ( -1.464 -1.455 -5.208) 5.602 5.874 ( -1.464 -1.455 5.208) 5.602 8.129 ( -1.790 9.773 -2.611) 10.273 8.129 ( -1.790 9.773 2.611) 10.273 8.142 ( -2.059 7.651 -2.900) 8.437 8.142 ( -2.059 7.651 2.900) 8.437 8.264 ( 2.210 5.528 -1.740) 6.203 8.264 ( 2.210 5.528 1.740) 6.203 8.277 ( 2.428 8.089 -2.615) 8.842 8.277 ( 2.428 8.089 2.615) 8.842 8.566 ( 0.826 -0.214 -1.214) 1.484 8.566 ( 0.826 -0.214 1.214) 1.484 8.607 ( 0.486 -3.298 -2.765) 4.331 8.607 ( 0.486 -3.298 2.765) 4.331 8.662 ( 0.663 -1.602 -2.014) 2.657 8.662 ( 0.663 -1.602 2.014) 2.657 8.705 ( 0.766 -3.682 -7.323) 8.232 8.705 ( 0.766 -3.682 7.323) 8.232 8.827 ( -0.889 -3.676 -3.869) 5.410 8.827 ( -0.889 -3.676 3.869) 5.410 8.914 ( -1.961 1.326 -4.391) 4.988 8.914 ( -1.961 1.326 4.391) 4.988 8.977 ( 2.497 -3.095 -4.271) 5.836 8.977 ( 2.497 -3.095 4.271) 5.836 9.163 ( -4.787 -7.783 -0.883) 9.180 9.163 ( -4.787 -7.783 0.883) 9.180 9.660 ( 1.399 4.177 -2.112) 4.885 9.660 ( 1.399 4.177 2.112) 4.885 9.734 ( -1.826 1.549 -5.424) 5.929 9.734 ( -1.826 1.549 5.424) 5.929 9.822 ( 2.473 -0.671 -5.032) 5.647 9.822 ( 2.473 -0.671 5.032) 5.647 9.946 ( -2.760 -3.134 -2.450) 4.841 9.946 ( -2.760 -3.134 2.450) 4.841 10.087 ( 1.006 2.893 -4.016) 5.050 10.087 ( 1.006 2.893 4.016) 5.050 10.195 ( 1.810 0.743 -2.988) 3.571 10.195 ( 1.810 0.743 2.988) 3.571 10.283 ( -0.357 -1.231 -1.507) 1.978 10.283 ( -0.357 -1.231 1.507) 1.978 10.434 ( -1.788 -0.245 -8.936) 9.116 10.434 ( -1.788 -0.245 8.936) 9.116 10.549 ( 0.992 -1.865 -5.340) 5.743 10.549 ( 0.992 -1.865 5.340) 5.743 10.745 ( -4.140 -1.940 -0.898) 4.660 10.745 ( -4.140 -1.940 0.898) 4.660 10.876 ( 1.427 3.089 -5.123) 6.150 10.876 ( 1.427 3.089 5.123) 6.150 10.971 ( 0.355 0.476 -11.573) 11.588 10.971 ( 0.355 0.476 11.573) 11.588 11.499 ( 0.538 0.903 -5.282) 5.385 11.499 ( 0.538 0.903 5.282) 5.385 11.638 ( -1.968 -1.774 -6.431) 6.955 11.638 ( -1.968 -1.774 6.431) 6.955 11.856 ( 4.571 -0.536 -5.987) 7.552 11.856 ( 4.571 -0.536 5.987) 7.552 12.101 ( 5.140 -0.791 -5.314) 7.436 12.101 ( 5.140 -0.791 5.314) 7.436 12.240 ( -2.590 0.200 -10.633) 10.946 12.240 ( -2.590 0.200 10.633) 10.946 12.384 ( -1.486 -0.144 -9.344) 9.463 12.384 ( -1.486 -0.144 9.344) 9.463 12.989 ( 2.812 5.735 -8.740) 10.825 12.989 ( 2.812 5.735 8.740) 10.825 13.154 ( 3.470 0.369 -8.565) 9.248 13.154 ( 3.470 0.369 8.565) 9.248 13.423 ( -2.971 -0.168 -1.857) 3.508 13.423 ( -2.971 -0.168 1.857) 3.508 13.518 ( -6.892 -2.505 -7.681) 10.619 13.518 ( -6.892 -2.505 7.681) 10.619 14.172 ( 2.202 -0.014 -4.610) 5.109 14.172 ( 2.202 -0.014 4.610) 5.109 14.218 ( 1.034 -1.826 -3.189) 3.818 14.218 ( 1.034 -1.826 3.189) 3.818 14.661 ( -4.777 1.501 -6.269) 8.024 14.661 ( -4.777 1.501 6.269) 8.024 14.746 ( -7.731 -1.725 -3.958) 8.855 14.746 ( -7.731 -1.725 3.958) 8.855 15.460 ( -0.406 2.757 -4.709) 5.472 15.460 ( -0.406 2.757 4.709) 5.472 15.490 ( -1.404 1.161 -5.448) 5.744 15.490 ( -1.404 1.161 5.448) 5.744 15.710 ( 4.729 3.088 -0.967) 5.730 15.710 ( 4.729 3.088 0.967) 5.730 15.831 ( -1.636 -0.123 -4.027) 4.348 15.831 ( -1.636 -0.123 4.027) 4.348 15.982 ( 4.580 -1.745 -3.748) 6.170 15.982 ( 4.580 -1.745 3.748) 6.170 16.133 ( 2.261 -6.711 -7.268) 10.148 16.133 ( 2.261 -6.711 7.268) 10.148 16.345 ( 2.852 5.639 -3.845) 7.397 16.345 ( 2.852 5.639 3.845) 7.397 16.485 ( -0.749 0.114 -4.280) 4.346 16.485 ( -0.749 0.114 4.280) 4.346 17.614 ( 4.417 0.668 -2.271) 5.012 17.614 ( 4.417 0.668 2.271) 5.012 17.730 ( 0.467 -4.267 -3.702) 5.669 17.730 ( 0.467 -4.267 3.702) 5.669 17.939 ( -1.033 0.076 -5.011) 5.117 17.939 ( -1.033 0.076 5.011) 5.117 18.001 ( -2.417 -1.574 -5.277) 6.014 18.001 ( -2.417 -1.574 5.277) 6.014 18.499 ( 0.861 0.863 -2.176) 2.494 18.499 ( 0.861 0.863 2.176) 2.494 18.603 ( -2.903 -2.186 -0.922) 3.749 18.603 ( -2.903 -2.186 0.922) 3.749 18.706 ( 3.354 -4.213 -6.119) 8.151 18.706 ( 3.354 -4.213 6.119) 8.151 18.846 ( -2.084 -8.035 -6.116) 10.311 18.846 ( -2.084 -8.035 6.116) 10.311 ======================= Grid point 124 (42/45) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -8.351 11.804 -6.473) 15.842 1.921 ( 8.310 11.804 -6.467) 15.818 1.921 ( -8.310 11.804 6.467) 15.818 1.921 ( 8.351 11.804 6.473) 15.842 2.035 ( -7.368 8.894 -9.102) 14.705 2.035 ( 7.368 8.894 -9.102) 14.705 2.035 ( -7.368 8.894 9.102) 14.705 2.035 ( 7.368 8.894 9.102) 14.705 2.394 ( -4.595 -4.281 -9.839) 11.672 2.394 ( 4.478 -4.281 -9.833) 11.622 2.394 ( -4.478 -4.281 9.833) 11.622 2.394 ( 4.595 -4.281 9.839) 11.672 2.483 ( -4.950 -7.397 -4.406) 9.931 2.483 ( 4.324 -7.397 -4.332) 9.601 2.483 ( -4.324 -7.397 4.332) 9.601 2.483 ( 4.950 -7.397 4.406) 9.931 2.692 ( -2.309 -0.587 -2.895) 3.749 2.692 ( 2.308 -0.587 -2.895) 3.749 2.692 ( -2.308 -0.587 2.895) 3.749 2.692 ( 2.309 -0.587 2.895) 3.749 2.863 ( -3.540 -0.301 -2.180) 4.169 2.863 ( 2.959 -0.301 -2.081) 3.631 2.863 ( -2.959 -0.301 2.081) 3.631 2.863 ( 3.540 -0.301 2.180) 4.169 3.057 ( -0.906 -3.741 -2.828) 4.777 3.057 ( 0.890 -3.741 -2.827) 4.773 3.057 ( -0.890 -3.741 2.827) 4.773 3.057 ( 0.906 -3.741 2.828) 4.777 3.249 ( -6.115 -1.469 -5.655) 8.457 3.249 ( 4.366 -1.469 -5.472) 7.153 3.249 ( -4.366 -1.469 5.472) 7.153 3.249 ( 6.115 -1.469 5.655) 8.457 3.430 ( -1.259 -1.742 -2.343) 3.180 3.430 ( 1.238 -1.742 -2.342) 3.171 3.430 ( -1.238 -1.742 2.342) 3.171 3.430 ( 1.259 -1.742 2.343) 3.180 3.512 ( -1.658 -5.191 -1.655) 5.695 3.512 ( 1.019 -5.191 -1.596) 5.525 3.512 ( -1.019 -5.191 1.596) 5.525 3.512 ( 1.658 -5.191 1.655) 5.695 3.911 ( -4.637 0.343 -1.903) 5.024 3.911 ( 3.566 0.343 -1.626) 3.934 3.911 ( -3.566 0.343 1.626) 3.934 3.911 ( 4.637 0.343 1.903) 5.024 4.106 ( -4.334 4.827 -4.122) 7.686 4.106 ( 4.331 4.827 -4.121) 7.684 4.106 ( -4.331 4.827 4.121) 7.684 4.106 ( 4.334 4.827 4.122) 7.686 4.172 ( -7.253 7.069 -6.065) 11.805 4.172 ( 6.865 7.069 -6.014) 11.544 4.172 ( -6.865 7.069 6.014) 11.544 4.172 ( 7.253 7.069 6.065) 11.805 4.379 ( -2.516 3.476 -3.892) 5.793 4.379 ( 2.414 3.476 -3.885) 5.745 4.379 ( -2.414 3.476 3.885) 5.745 4.379 ( 2.516 3.476 3.892) 5.793 4.950 ( -3.756 -5.980 -1.740) 7.273 4.950 ( 3.637 -5.980 -1.712) 7.206 4.950 ( -3.637 -5.980 1.712) 7.206 4.950 ( 3.756 -5.980 1.740) 7.273 5.049 ( -2.760 -7.899 -2.121) 8.632 5.049 ( 2.249 -7.899 -2.053) 8.466 5.049 ( -2.249 -7.899 2.053) 8.466 5.049 ( 2.760 -7.899 2.121) 8.632 5.283 ( -6.086 1.206 -5.117) 8.042 5.283 ( 6.083 1.206 -5.117) 8.040 5.283 ( -6.083 1.206 5.117) 8.040 5.283 ( 6.086 1.206 5.117) 8.042 5.834 ( -2.180 0.030 -6.464) 6.822 5.834 ( 2.175 0.030 -6.464) 6.820 5.834 ( -2.175 0.030 6.464) 6.820 5.834 ( 2.180 0.030 6.464) 6.822 8.113 ( -0.288 8.760 -5.894) 10.562 8.113 ( 0.277 8.760 -5.894) 10.562 8.113 ( -0.277 8.760 5.894) 10.562 8.113 ( 0.288 8.760 5.894) 10.562 8.298 ( -0.374 6.914 -2.801) 7.469 8.298 ( 0.316 6.914 -2.800) 7.466 8.298 ( -0.316 6.914 2.800) 7.466 8.298 ( 0.374 6.914 2.801) 7.469 8.590 ( -1.392 -0.100 -3.773) 4.023 8.590 ( 1.322 -0.100 -3.770) 3.997 8.590 ( -1.322 -0.100 3.770) 3.997 8.590 ( 1.392 -0.100 3.773) 4.023 8.699 ( -1.257 -4.544 -4.363) 6.423 8.699 ( 0.812 -4.544 -4.351) 6.343 8.699 ( -0.812 -4.544 4.351) 6.343 8.699 ( 1.257 -4.544 4.363) 6.423 8.854 ( -2.535 -1.720 -3.468) 4.627 8.854 ( 1.190 -1.720 -3.387) 3.980 8.854 ( -1.190 -1.720 3.387) 3.980 8.854 ( 2.535 -1.720 3.468) 4.627 9.051 ( -4.505 -5.527 -2.989) 7.732 9.051 ( 2.836 -5.527 -2.752) 6.795 9.051 ( -2.836 -5.527 2.752) 6.795 9.051 ( 4.505 -5.527 2.989) 7.732 9.696 ( -1.766 2.756 -4.017) 5.182 9.696 ( 1.717 2.756 -4.015) 5.164 9.696 ( -1.717 2.756 4.015) 5.164 9.696 ( 1.766 2.756 4.017) 5.182 9.882 ( -3.010 -0.716 -3.351) 4.561 9.882 ( 2.885 -0.716 -3.339) 4.470 9.882 ( -2.885 -0.716 3.339) 4.470 9.882 ( 3.010 -0.716 3.351) 4.561 10.156 ( -4.503 -0.183 -4.755) 6.551 10.156 ( 4.005 -0.183 -4.705) 6.181 10.156 ( -4.005 -0.183 4.705) 6.181 10.156 ( 4.503 -0.183 4.755) 6.551 10.332 ( -4.511 2.872 -4.906) 7.258 10.332 ( 4.486 2.872 -4.904) 7.240 10.332 ( -4.486 2.872 4.904) 7.240 10.332 ( 4.511 2.872 4.906) 7.258 10.642 ( -5.000 -2.635 -2.397) 6.139 10.642 ( 4.036 -2.635 -2.186) 5.292 10.642 ( -4.036 -2.635 2.186) 5.292 10.642 ( 5.000 -2.635 2.397) 6.139 10.936 ( -3.294 2.363 -10.418) 11.179 10.936 ( 3.289 2.363 -10.418) 11.178 10.936 ( -3.289 2.363 10.418) 11.178 10.936 ( 3.294 2.363 10.418) 11.179 11.555 ( -4.133 -1.086 -3.744) 5.682 11.555 ( 3.406 -1.086 -3.662) 5.118 11.555 ( -3.406 -1.086 3.662) 5.118 11.555 ( 4.133 -1.086 3.744) 5.682 12.016 ( -8.222 -1.100 -7.258) 11.023 12.016 ( 7.103 -1.100 -7.126) 10.121 12.016 ( -7.103 -1.100 7.126) 10.121 12.016 ( 8.222 -1.100 7.258) 11.023 12.316 ( -4.961 0.088 -7.228) 8.767 12.316 ( 4.723 0.088 -7.210) 8.619 12.316 ( -4.723 0.088 7.210) 8.619 12.316 ( 4.961 0.088 7.228) 8.767 13.115 ( -6.069 1.683 -6.809) 9.275 13.115 ( 2.775 1.683 -6.567) 7.325 13.115 ( -2.775 1.683 6.567) 7.325 13.115 ( 6.069 1.683 6.809) 9.275 13.405 ( -3.611 -0.562 -12.018) 12.561 13.405 ( 3.472 -0.562 -12.014) 12.518 13.405 ( -3.472 -0.562 12.014) 12.518 13.405 ( 3.611 -0.562 12.018) 12.561 14.214 ( -1.326 -0.631 -11.816) 11.907 14.214 ( 1.284 -0.631 -11.816) 11.902 14.214 ( -1.284 -0.631 11.816) 11.902 14.214 ( 1.326 -0.631 11.816) 11.907 14.626 ( -0.852 -0.446 -8.974) 9.025 14.626 ( 0.381 -0.446 -8.970) 8.989 14.626 ( -0.381 -0.446 8.970) 8.989 14.626 ( 0.852 -0.446 8.974) 9.025 15.463 ( -0.819 1.998 -5.473) 5.884 15.463 ( 0.818 1.998 -5.473) 5.884 15.463 ( -0.818 1.998 5.473) 5.884 15.463 ( 0.819 1.998 5.473) 5.884 15.791 ( -1.888 2.236 -4.416) 5.298 15.791 ( 1.145 2.236 -4.388) 5.056 15.791 ( -1.145 2.236 4.388) 5.056 15.791 ( 1.888 2.236 4.416) 5.298 16.089 ( -4.751 -2.504 -4.108) 6.762 16.089 ( 4.726 -2.504 -4.105) 6.742 16.089 ( -4.726 -2.504 4.105) 6.742 16.089 ( 4.751 -2.504 4.108) 6.762 16.438 ( -3.903 1.144 -4.498) 6.064 16.438 ( 3.835 1.144 -4.492) 6.016 16.438 ( -3.835 1.144 4.492) 6.016 16.438 ( 3.903 1.144 4.498) 6.064 17.707 ( -3.153 -3.285 -1.348) 4.749 17.707 ( 0.605 -3.285 -0.869) 3.451 17.707 ( -0.605 -3.285 0.869) 3.451 17.707 ( 3.153 -3.285 1.348) 4.749 17.945 ( -1.800 -0.606 -6.789) 7.049 17.945 ( 1.688 -0.606 -6.785) 7.018 17.945 ( -1.688 -0.606 6.785) 7.018 17.945 ( 1.800 -0.606 6.789) 7.049 18.539 ( -2.795 -0.074 -1.093) 3.002 18.539 ( 2.462 -0.074 -1.001) 2.659 18.539 ( -2.462 -0.074 1.001) 2.659 18.539 ( 2.795 -0.074 1.093) 3.002 18.784 ( -3.417 -6.207 -7.087) 10.021 18.784 ( 3.236 -6.207 -7.077) 9.954 18.784 ( -3.236 -6.207 7.077) 9.954 18.784 ( 3.417 -6.207 7.087) 10.021 ======================= Grid point 130 (43/45) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 0.000 -9.967 -6.393) 11.841 1.838 ( 0.000 -9.967 6.393) 11.841 1.838 ( 0.000 9.967 -6.393) 11.841 1.838 ( 0.000 9.967 6.393) 11.841 2.013 ( 0.000 -10.847 -11.352) 15.701 2.013 ( 0.000 10.847 -11.352) 15.701 2.013 ( 0.000 -10.847 11.352) 15.701 2.013 ( 0.000 10.847 11.352) 15.701 2.441 ( 0.000 -8.269 -2.559) 8.656 2.441 ( 0.000 -8.269 2.559) 8.656 2.441 ( 0.000 8.269 -2.559) 8.656 2.441 ( 0.000 8.269 2.559) 8.656 2.525 ( 0.000 -0.628 -4.389) 4.434 2.525 ( 0.000 0.628 -4.389) 4.434 2.525 ( 0.000 -0.628 4.389) 4.434 2.525 ( 0.000 0.628 4.389) 4.434 2.693 ( 0.000 -0.715 -4.135) 4.196 2.693 ( 0.000 0.715 -4.135) 4.196 2.693 ( 0.000 -0.715 4.135) 4.196 2.693 ( 0.000 0.715 4.135) 4.196 2.833 ( 0.000 -4.565 -2.956) 5.438 2.833 ( 0.000 -4.565 2.956) 5.438 2.833 ( 0.000 4.565 -2.956) 5.438 2.833 ( 0.000 4.565 2.956) 5.438 3.042 ( 0.000 -1.257 -3.189) 3.427 3.042 ( 0.000 1.257 -3.189) 3.427 3.042 ( 0.000 -1.257 3.189) 3.427 3.042 ( 0.000 1.257 3.189) 3.427 3.110 ( 0.000 -5.390 -9.389) 10.826 3.110 ( 0.000 5.390 -9.389) 10.826 3.110 ( 0.000 -5.390 9.389) 10.826 3.110 ( 0.000 5.390 9.389) 10.826 3.349 ( 0.000 -0.440 -5.956) 5.972 3.349 ( 0.000 0.440 -5.956) 5.972 3.349 ( 0.000 -0.440 5.956) 5.972 3.349 ( 0.000 0.440 5.956) 5.972 3.574 ( 0.000 -0.689 -4.745) 4.794 3.574 ( 0.000 0.689 -4.745) 4.794 3.574 ( 0.000 -0.689 4.745) 4.794 3.574 ( 0.000 0.689 4.745) 4.794 3.809 ( 0.000 -0.064 -2.554) 2.555 3.809 ( 0.000 0.064 -2.554) 2.555 3.809 ( 0.000 -0.064 2.554) 2.555 3.809 ( 0.000 0.064 2.554) 2.555 4.140 ( 0.000 -0.303 -2.091) 2.113 4.140 ( 0.000 -0.303 2.091) 2.113 4.140 ( 0.000 0.303 -2.091) 2.113 4.140 ( 0.000 0.303 2.091) 2.113 4.380 ( 0.000 -3.829 -3.082) 4.915 4.380 ( 0.000 -3.829 3.082) 4.915 4.380 ( 0.000 3.829 -3.082) 4.915 4.380 ( 0.000 3.829 3.082) 4.915 4.598 ( 0.000 -0.659 -9.617) 9.639 4.598 ( 0.000 0.659 -9.617) 9.639 4.598 ( 0.000 -0.659 9.617) 9.639 4.598 ( 0.000 0.659 9.617) 9.639 4.732 ( 0.000 -0.839 -7.792) 7.837 4.732 ( 0.000 0.839 -7.792) 7.837 4.732 ( 0.000 -0.839 7.792) 7.837 4.732 ( 0.000 0.839 7.792) 7.837 4.993 ( 0.000 -1.223 -2.847) 3.098 4.993 ( 0.000 1.223 -2.847) 3.098 4.993 ( 0.000 -1.223 2.847) 3.098 4.993 ( 0.000 1.223 2.847) 3.098 5.230 ( 0.000 -0.179 -3.832) 3.836 5.230 ( 0.000 0.179 -3.832) 3.836 5.230 ( 0.000 -0.179 3.832) 3.836 5.230 ( 0.000 0.179 3.832) 3.836 5.852 ( 0.000 -2.272 -6.730) 7.103 5.852 ( 0.000 2.272 -6.730) 7.103 5.852 ( 0.000 -2.272 6.730) 7.103 5.852 ( 0.000 2.272 6.730) 7.103 8.261 ( 0.000 -1.303 -5.703) 5.850 8.261 ( 0.000 1.303 -5.703) 5.850 8.261 ( 0.000 -1.303 5.703) 5.850 8.261 ( 0.000 1.303 5.703) 5.850 8.319 ( 0.000 -1.138 -8.363) 8.440 8.319 ( 0.000 1.138 -8.363) 8.440 8.319 ( 0.000 -1.138 8.363) 8.440 8.319 ( 0.000 1.138 8.363) 8.440 8.519 ( 0.000 -0.031 -1.671) 1.672 8.519 ( 0.000 0.031 -1.671) 1.672 8.519 ( 0.000 -0.031 1.671) 1.672 8.519 ( 0.000 0.031 1.671) 1.672 8.683 ( 0.000 -1.703 -1.621) 2.351 8.683 ( 0.000 1.703 -1.621) 2.351 8.683 ( 0.000 -1.703 1.621) 2.351 8.683 ( 0.000 1.703 1.621) 2.351 8.846 ( 0.000 -3.832 -5.058) 6.346 8.846 ( 0.000 3.832 -5.058) 6.346 8.846 ( 0.000 -3.832 5.058) 6.346 8.846 ( 0.000 3.832 5.058) 6.346 9.051 ( 0.000 -7.301 -4.481) 8.566 9.051 ( 0.000 -7.301 4.481) 8.566 9.051 ( 0.000 7.301 -4.481) 8.566 9.051 ( 0.000 7.301 4.481) 8.566 9.731 ( 0.000 -3.352 -4.167) 5.348 9.731 ( 0.000 3.352 -4.167) 5.348 9.731 ( 0.000 -3.352 4.167) 5.348 9.731 ( 0.000 3.352 4.167) 5.348 9.851 ( 0.000 -5.955 -4.731) 7.606 9.851 ( 0.000 5.955 -4.731) 7.606 9.851 ( 0.000 -5.955 4.731) 7.606 9.851 ( 0.000 5.955 4.731) 7.606 10.192 ( 0.000 -0.430 -2.310) 2.349 10.192 ( 0.000 0.430 -2.310) 2.349 10.192 ( 0.000 -0.430 2.310) 2.349 10.192 ( 0.000 0.430 2.310) 2.349 10.262 ( 0.000 -1.429 -5.458) 5.642 10.262 ( 0.000 1.429 -5.458) 5.642 10.262 ( 0.000 -1.429 5.458) 5.642 10.262 ( 0.000 1.429 5.458) 5.642 10.692 ( 0.000 -4.745 -13.623) 14.426 10.692 ( 0.000 4.745 -13.623) 14.426 10.692 ( 0.000 -4.745 13.623) 14.426 10.692 ( 0.000 4.745 13.623) 14.426 10.922 ( 0.000 -3.459 -6.845) 7.670 10.922 ( 0.000 3.459 -6.845) 7.670 10.922 ( 0.000 -3.459 6.845) 7.670 10.922 ( 0.000 3.459 6.845) 7.670 11.570 ( 0.000 -2.793 -3.219) 4.262 11.570 ( 0.000 2.793 -3.219) 4.262 11.570 ( 0.000 -2.793 3.219) 4.262 11.570 ( 0.000 2.793 3.219) 4.262 11.915 ( 0.000 -2.208 -12.218) 12.416 11.915 ( 0.000 2.208 -12.218) 12.416 11.915 ( 0.000 -2.208 12.218) 12.416 11.915 ( 0.000 2.208 12.218) 12.416 12.348 ( 0.000 -2.361 -12.003) 12.233 12.348 ( 0.000 2.361 -12.003) 12.233 12.348 ( 0.000 -2.361 12.003) 12.233 12.348 ( 0.000 2.361 12.003) 12.233 13.084 ( 0.000 -3.635 -11.275) 11.847 13.084 ( 0.000 3.635 -11.275) 11.847 13.084 ( 0.000 -3.635 11.275) 11.847 13.084 ( 0.000 3.635 11.275) 11.847 13.506 ( 0.000 -4.513 -8.085) 9.259 13.506 ( 0.000 4.513 -8.085) 9.259 13.506 ( 0.000 -4.513 8.085) 9.259 13.506 ( 0.000 4.513 8.085) 9.259 14.165 ( 0.000 -1.535 -6.120) 6.309 14.165 ( 0.000 1.535 -6.120) 6.309 14.165 ( 0.000 -1.535 6.120) 6.309 14.165 ( 0.000 1.535 6.120) 6.309 14.791 ( 0.000 -3.561 -9.294) 9.953 14.791 ( 0.000 3.561 -9.294) 9.953 14.791 ( 0.000 -3.561 9.294) 9.953 14.791 ( 0.000 3.561 9.294) 9.953 15.509 ( 0.000 -0.763 -5.345) 5.400 15.509 ( 0.000 0.763 -5.345) 5.400 15.509 ( 0.000 -0.763 5.345) 5.400 15.509 ( 0.000 0.763 5.345) 5.400 15.732 ( 0.000 -5.790 -2.000) 6.126 15.732 ( 0.000 -5.790 2.000) 6.126 15.732 ( 0.000 5.790 -2.000) 6.126 15.732 ( 0.000 5.790 2.000) 6.126 15.975 ( 0.000 -2.210 -9.070) 9.335 15.975 ( 0.000 2.210 -9.070) 9.335 15.975 ( 0.000 -2.210 9.070) 9.335 15.975 ( 0.000 2.210 9.070) 9.335 16.446 ( 0.000 -3.913 -3.511) 5.257 16.446 ( 0.000 3.913 -3.511) 5.257 16.446 ( 0.000 -3.913 3.511) 5.257 16.446 ( 0.000 3.913 3.511) 5.257 17.636 ( 0.000 -4.121 -2.800) 4.982 17.636 ( 0.000 4.121 -2.800) 4.982 17.636 ( 0.000 -4.121 2.800) 4.982 17.636 ( 0.000 4.121 2.800) 4.982 17.984 ( 0.000 -2.350 -5.277) 5.777 17.984 ( 0.000 2.350 -5.277) 5.777 17.984 ( 0.000 -2.350 5.277) 5.777 17.984 ( 0.000 2.350 5.277) 5.777 18.535 ( 0.000 -3.757 -2.057) 4.283 18.535 ( 0.000 -3.757 2.057) 4.283 18.535 ( 0.000 3.757 -2.057) 4.283 18.535 ( 0.000 3.757 2.057) 4.283 18.720 ( 0.000 -5.333 -3.290) 6.266 18.720 ( 0.000 -5.333 3.290) 6.266 18.720 ( 0.000 5.333 -3.290) 6.266 18.720 ( 0.000 5.333 3.290) 6.266 ======================= Grid point 134 (44/45) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 9.067 0.000 -9.533) 13.156 1.953 ( 9.067 0.000 9.533) 13.156 1.972 ( 9.844 -0.000 -6.008) 11.533 1.972 ( 9.844 -0.000 6.008) 11.533 2.037 ( 3.922 0.000 -11.133) 11.803 2.037 ( 3.922 -0.000 11.133) 11.803 2.084 ( 5.538 0.000 -11.064) 12.373 2.084 ( 5.538 0.000 11.064) 12.373 2.349 ( -6.755 0.000 -4.954) 8.376 2.349 ( -6.755 0.000 4.954) 8.376 2.393 ( -3.653 -0.000 -2.915) 4.673 2.393 ( -3.653 0.000 2.915) 4.673 2.450 ( -3.017 0.000 -4.606) 5.506 2.450 ( -3.016 0.000 4.606) 5.506 2.477 ( -7.218 0.000 -11.871) 13.893 2.477 ( -7.218 0.000 11.871) 13.893 2.670 ( 1.195 0.000 -2.048) 2.371 2.670 ( 1.195 0.000 2.048) 2.371 2.770 ( 1.263 0.000 -1.676) 2.099 2.770 ( 1.263 0.000 1.676) 2.099 2.826 ( -0.673 0.000 -1.753) 1.878 2.826 ( -0.673 0.000 1.753) 1.878 2.863 ( 0.628 -0.000 -3.097) 3.160 2.863 ( 0.628 0.000 3.097) 3.160 2.977 ( -1.893 0.000 -1.317) 2.306 2.977 ( -1.893 0.000 1.317) 2.306 3.042 ( -0.288 0.000 -2.317) 2.335 3.042 ( -0.288 0.000 2.317) 2.335 3.172 ( 4.123 0.000 -10.077) 10.887 3.172 ( 4.123 0.000 10.077) 10.887 3.177 ( 4.739 -0.000 -2.405) 5.314 3.177 ( 4.739 -0.000 2.405) 5.314 3.386 ( 2.266 -0.000 -1.491) 2.713 3.386 ( 2.266 0.000 1.491) 2.713 3.387 ( 3.194 -0.000 -4.050) 5.158 3.387 ( 3.194 0.000 4.050) 5.158 3.469 ( -4.319 0.000 -1.970) 4.747 3.469 ( -4.319 0.000 1.970) 4.747 3.533 ( -4.814 0.000 -1.852) 5.158 3.533 ( -4.814 0.000 1.852) 5.158 3.849 ( 4.103 0.000 -2.575) 4.844 3.849 ( 4.103 0.000 2.575) 4.844 3.915 ( 3.586 0.000 -1.637) 3.942 3.915 ( 3.586 0.000 1.637) 3.942 4.048 ( -0.294 0.000 -0.519) 0.597 4.048 ( -0.294 0.000 0.519) 0.597 4.217 ( -1.861 0.000 -0.517) 1.931 4.217 ( -1.861 0.000 0.517) 1.931 4.277 ( -1.569 0.000 -5.754) 5.964 4.277 ( -1.569 0.000 5.754) 5.964 4.407 ( -2.571 -0.000 -4.113) 4.851 4.407 ( -2.571 0.000 4.113) 4.851 4.454 ( -4.930 0.000 -7.738) 9.175 4.454 ( -4.930 0.000 7.738) 9.175 4.521 ( -7.822 0.000 -7.572) 10.887 4.521 ( -7.822 0.000 7.572) 10.887 4.795 ( 7.173 0.000 -6.094) 9.412 4.795 ( 7.173 -0.000 6.094) 9.412 4.873 ( 3.951 0.000 -7.182) 8.197 4.873 ( 3.951 0.000 7.182) 8.197 4.888 ( -2.225 -0.000 -1.709) 2.806 4.888 ( -2.225 0.000 1.709) 2.806 5.028 ( -5.630 0.000 -3.050) 6.404 5.028 ( -5.630 0.000 3.050) 6.404 5.176 ( 5.682 0.000 -5.411) 7.846 5.176 ( 5.682 0.000 5.411) 7.846 5.344 ( 2.102 0.000 -4.828) 5.266 5.344 ( 2.102 0.000 4.828) 5.266 5.833 ( -0.657 0.000 -7.183) 7.213 5.833 ( -0.657 -0.000 7.183) 7.213 5.852 ( -0.552 -0.000 -7.316) 7.337 5.852 ( -0.552 0.000 7.316) 7.337 8.229 ( -1.362 0.000 -7.553) 7.675 8.229 ( -1.362 0.000 7.553) 7.675 8.241 ( -2.098 0.000 -7.096) 7.400 8.241 ( -2.098 0.000 7.096) 7.400 8.331 ( 2.802 0.000 -6.215) 6.817 8.331 ( 2.802 0.000 6.215) 6.817 8.382 ( 2.334 0.000 -6.805) 7.194 8.382 ( 2.334 0.000 6.805) 7.194 8.539 ( 1.856 0.000 -2.962) 3.495 8.539 ( 1.856 0.000 2.962) 3.495 8.552 ( 2.466 0.000 -1.764) 3.032 8.552 ( 2.466 0.000 1.764) 3.032 8.659 ( -1.952 0.000 -2.736) 3.361 8.659 ( -1.952 0.000 2.736) 3.361 8.663 ( -1.383 -0.000 -3.636) 3.891 8.663 ( -1.383 -0.000 3.637) 3.891 8.795 ( -0.821 -0.000 -4.817) 4.887 8.795 ( -0.821 0.000 4.817) 4.887 8.904 ( 1.317 0.000 -4.260) 4.459 8.904 ( 1.317 0.000 4.260) 4.459 8.992 ( -4.039 -0.000 -2.988) 5.024 8.992 ( -4.039 0.000 2.988) 5.024 9.032 ( -2.114 -0.000 -6.104) 6.460 9.032 ( -2.114 0.000 6.104) 6.460 9.731 ( 0.233 0.000 -5.376) 5.381 9.731 ( 0.233 -0.000 5.376) 5.381 9.738 ( 0.129 -0.000 -3.872) 3.874 9.738 ( 0.129 0.000 3.872) 3.874 9.853 ( 0.513 -0.000 -3.603) 3.639 9.853 ( 0.513 -0.000 3.603) 3.639 9.855 ( 0.317 0.000 -3.607) 3.621 9.855 ( 0.317 -0.000 3.607) 3.621 10.132 ( -1.523 0.000 -4.793) 5.029 10.132 ( -1.523 0.000 4.793) 5.029 10.202 ( -0.502 0.000 -1.782) 1.851 10.202 ( -0.502 0.000 1.782) 1.851 10.289 ( 3.817 0.000 -3.425) 5.129 10.289 ( 3.817 0.000 3.425) 5.129 10.394 ( 5.632 0.000 -4.145) 6.993 10.394 ( 5.632 0.000 4.145) 6.993 10.554 ( -5.457 0.000 -8.441) 10.051 10.554 ( -5.457 0.000 8.441) 10.051 10.696 ( -3.709 0.000 -3.859) 5.352 10.696 ( -3.709 -0.000 3.859) 5.352 10.944 ( 1.252 0.000 -6.400) 6.521 10.944 ( 1.252 0.000 6.400) 6.521 10.954 ( 2.468 -0.000 -8.143) 8.509 10.954 ( 2.468 0.000 8.143) 8.509 11.519 ( -1.051 0.000 -4.195) 4.324 11.519 ( -1.051 0.000 4.195) 4.324 11.613 ( -1.170 0.000 -7.630) 7.719 11.613 ( -1.170 0.000 7.630) 7.719 11.853 ( 3.027 -0.000 -8.538) 9.059 11.853 ( 3.027 0.000 8.538) 9.059 12.088 ( 6.019 0.000 -8.855) 10.707 12.088 ( 6.019 0.000 8.855) 10.707 12.247 ( -4.023 0.000 -8.677) 9.564 12.247 ( -4.023 0.000 8.677) 9.564 12.380 ( -0.480 0.000 -11.576) 11.586 12.380 ( -0.480 0.000 11.576) 11.586 13.087 ( 1.166 0.000 -9.208) 9.282 13.087 ( 1.166 0.000 9.208) 9.282 13.122 ( 2.475 -0.000 -7.464) 7.864 13.122 ( 2.475 -0.000 7.464) 7.864 13.431 ( -4.725 -0.000 -10.913) 11.892 13.431 ( -4.725 0.000 10.913) 11.892 13.484 ( -3.221 0.000 -2.076) 3.832 13.484 ( -3.221 0.000 2.076) 3.832 14.178 ( 1.608 0.000 -10.959) 11.077 14.178 ( 1.608 -0.000 10.959) 11.077 14.193 ( 1.536 0.000 -5.680) 5.884 14.193 ( 1.536 0.000 5.680) 5.884 14.686 ( -6.405 0.000 -10.057) 11.923 14.686 ( -6.405 0.000 10.057) 11.923 14.716 ( -6.164 0.000 -9.465) 11.295 14.716 ( -6.164 0.000 9.465) 11.295 15.496 ( -0.936 0.000 -5.887) 5.961 15.496 ( -0.936 -0.000 5.887) 5.961 15.498 ( -0.872 -0.000 -5.759) 5.824 15.498 ( -0.872 0.000 5.759) 5.824 15.766 ( 3.079 0.000 -1.595) 3.467 15.766 ( 3.079 -0.000 1.595) 3.467 15.796 ( 2.885 0.000 -4.836) 5.631 15.796 ( 2.885 -0.000 4.836) 5.631 15.974 ( 3.274 0.000 -6.053) 6.881 15.974 ( 3.274 0.000 6.053) 6.881 16.062 ( 3.299 0.000 -7.753) 8.426 16.062 ( 3.299 0.000 7.753) 8.426 16.424 ( 0.114 0.000 -4.570) 4.571 16.424 ( 0.114 0.000 4.570) 4.571 16.470 ( 0.370 0.000 -3.009) 3.032 16.470 ( 0.370 0.000 3.009) 3.032 17.645 ( 1.263 0.000 -2.486) 2.788 17.645 ( 1.263 0.000 2.486) 2.788 17.660 ( 1.419 -0.000 -1.946) 2.408 17.660 ( 1.419 -0.000 1.946) 2.408 17.954 ( -1.759 0.000 -4.796) 5.108 17.954 ( -1.759 0.000 4.796) 5.108 17.971 ( -1.615 -0.000 -6.959) 7.144 17.971 ( -1.615 0.000 6.959) 7.144 18.527 ( 0.324 0.000 -1.294) 1.334 18.527 ( 0.324 0.000 1.294) 1.334 18.555 ( 0.478 0.000 -2.054) 2.109 18.555 ( 0.478 0.000 2.054) 2.109 18.695 ( -0.441 -0.000 -3.933) 3.957 18.695 ( -0.441 -0.000 3.933) 3.957 18.734 ( -0.291 0.000 -4.223) 4.233 18.734 ( -0.291 0.000 4.223) 4.233 ======================= Grid point 138 (45/45) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 23 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -0.055 0.000 -10.961) 10.961 2.075 ( 0.055 0.000 -10.961) 10.961 2.075 ( -0.055 0.000 10.961) 10.961 2.075 ( 0.055 0.000 10.961) 10.961 2.173 ( -2.303 0.000 -7.015) 7.383 2.173 ( 2.303 0.000 -7.015) 7.383 2.173 ( -2.303 0.000 7.015) 7.383 2.173 ( 2.303 0.000 7.015) 7.383 2.303 ( -5.291 0.000 -6.394) 8.299 2.303 ( 5.291 0.000 -6.394) 8.299 2.303 ( -5.291 0.000 6.394) 8.299 2.303 ( 5.291 0.000 6.394) 8.299 2.374 ( -1.951 -0.000 -5.718) 6.041 2.374 ( 1.951 0.000 -5.718) 6.041 2.374 ( -1.951 0.000 5.718) 6.041 2.374 ( 1.951 0.000 5.718) 6.041 2.705 ( -3.429 0.000 -2.201) 4.075 2.705 ( 3.429 0.000 -2.201) 4.075 2.705 ( -3.429 0.000 2.201) 4.075 2.705 ( 3.429 0.000 2.201) 4.075 2.843 ( -1.757 0.000 -2.516) 3.068 2.843 ( 1.757 -0.000 -2.516) 3.068 2.843 ( -1.757 0.000 2.516) 3.068 2.843 ( 1.757 0.000 2.516) 3.068 3.015 ( -2.866 0.000 -1.224) 3.117 3.015 ( 2.866 0.000 -1.224) 3.117 3.015 ( -2.866 -0.000 1.224) 3.117 3.015 ( 2.866 0.000 1.224) 3.117 3.234 ( -0.652 0.000 -8.161) 8.187 3.234 ( 0.652 0.000 -8.161) 8.187 3.234 ( -0.652 0.000 8.161) 8.187 3.234 ( 0.652 0.000 8.161) 8.187 3.410 ( -0.014 0.000 -0.701) 0.702 3.410 ( 0.014 0.000 -0.701) 0.702 3.410 ( -0.014 0.000 0.701) 0.702 3.410 ( 0.014 0.000 0.701) 0.702 3.459 ( -2.099 0.000 -3.392) 3.989 3.459 ( 2.099 0.000 -3.392) 3.989 3.459 ( -2.099 0.000 3.392) 3.989 3.459 ( 2.099 0.000 3.392) 3.989 3.911 ( -2.812 0.000 -2.152) 3.541 3.911 ( 2.812 0.000 -2.152) 3.541 3.911 ( -2.812 0.000 2.152) 3.541 3.911 ( 2.812 0.000 2.152) 3.541 4.130 ( -4.972 0.000 -1.697) 5.254 4.130 ( 4.972 0.000 -1.697) 5.254 4.130 ( -4.972 0.000 1.697) 5.254 4.130 ( 4.972 0.000 1.697) 5.254 4.305 ( -3.815 0.000 -1.813) 4.224 4.305 ( 3.815 0.000 -1.813) 4.224 4.305 ( -3.815 0.000 1.813) 4.224 4.305 ( 3.815 0.000 1.813) 4.224 4.422 ( -2.037 0.000 -7.705) 7.970 4.422 ( 2.037 -0.000 -7.705) 7.970 4.422 ( -2.037 0.000 7.705) 7.970 4.422 ( 2.037 0.000 7.705) 7.970 4.874 ( -2.181 -0.000 -1.579) 2.692 4.874 ( 2.181 0.000 -1.579) 2.692 4.874 ( -2.181 0.000 1.579) 2.692 4.874 ( 2.181 -0.000 1.579) 2.692 4.934 ( -3.854 0.000 -6.679) 7.712 4.934 ( 3.854 0.000 -6.679) 7.712 4.934 ( -3.854 -0.000 6.679) 7.712 4.934 ( 3.854 0.000 6.679) 7.712 5.306 ( -5.131 0.000 -5.722) 7.685 5.306 ( 5.131 0.000 -5.722) 7.685 5.306 ( -5.131 0.000 5.722) 7.685 5.306 ( 5.131 0.000 5.722) 7.685 5.836 ( -0.738 0.000 -7.784) 7.818 5.836 ( 0.738 0.000 -7.784) 7.818 5.836 ( -0.738 0.000 7.784) 7.818 5.836 ( 0.738 0.000 7.784) 7.818 8.215 ( -0.208 0.000 -7.869) 7.872 8.215 ( 0.208 0.000 -7.869) 7.872 8.215 ( -0.208 -0.000 7.869) 7.872 8.215 ( 0.208 0.000 7.869) 7.872 8.388 ( -1.816 0.000 -5.011) 5.330 8.388 ( 1.816 0.000 -5.011) 5.330 8.388 ( -1.816 0.000 5.011) 5.330 8.388 ( 1.816 0.000 5.011) 5.330 8.576 ( -0.998 0.000 -2.216) 2.431 8.576 ( 0.998 0.000 -2.216) 2.431 8.576 ( -0.998 0.000 2.216) 2.431 8.576 ( 0.998 0.000 2.216) 2.431 8.640 ( -0.574 0.000 -4.134) 4.173 8.640 ( 0.574 -0.000 -4.134) 4.173 8.640 ( -0.574 0.000 4.134) 4.173 8.640 ( 0.574 0.000 4.134) 4.173 8.838 ( -4.864 0.000 -3.165) 5.803 8.838 ( 4.864 0.000 -3.165) 5.804 8.838 ( -4.864 -0.000 3.165) 5.804 8.838 ( 4.864 0.000 3.165) 5.804 8.983 ( -2.131 0.000 -6.107) 6.468 8.983 ( 2.131 -0.000 -6.107) 6.468 8.983 ( -2.131 0.000 6.107) 6.468 8.983 ( 2.131 0.000 6.107) 6.468 9.736 ( -0.195 0.000 -5.010) 5.014 9.736 ( 0.196 -0.000 -5.010) 5.014 9.736 ( -0.195 0.000 5.010) 5.014 9.736 ( 0.196 0.000 5.010) 5.014 9.862 ( -0.077 0.000 -1.508) 1.510 9.862 ( 0.077 0.000 -1.508) 1.510 9.862 ( -0.077 0.000 1.508) 1.510 9.862 ( 0.077 0.000 1.508) 1.510 10.155 ( -3.130 0.000 -5.452) 6.287 10.155 ( 3.130 0.000 -5.452) 6.287 10.155 ( -3.130 0.000 5.452) 6.287 10.155 ( 3.130 0.000 5.452) 6.287 10.377 ( -4.026 0.000 -2.380) 4.677 10.377 ( 4.026 0.000 -2.380) 4.677 10.377 ( -4.026 0.000 2.380) 4.677 10.377 ( 4.026 0.000 2.380) 4.677 10.592 ( -5.438 0.000 -3.180) 6.299 10.592 ( 5.438 0.000 -3.180) 6.300 10.592 ( -5.438 0.000 3.180) 6.300 10.592 ( 5.438 -0.000 3.180) 6.300 10.972 ( -0.901 0.000 -12.524) 12.557 10.972 ( 0.901 0.000 -12.524) 12.557 10.972 ( -0.901 0.000 12.524) 12.557 10.972 ( 0.901 0.000 12.524) 12.557 11.544 ( -3.363 0.000 -2.631) 4.270 11.544 ( 3.363 0.000 -2.631) 4.270 11.544 ( -3.363 0.000 2.631) 4.270 11.544 ( 3.363 -0.000 2.631) 4.270 12.002 ( -8.818 0.000 -8.529) 12.268 12.002 ( 8.818 0.000 -8.529) 12.268 12.002 ( -8.818 0.000 8.529) 12.268 12.002 ( 8.818 0.000 8.529) 12.268 12.318 ( -5.407 0.000 -7.293) 9.079 12.318 ( 5.407 0.000 -7.293) 9.079 12.318 ( -5.407 0.000 7.293) 9.079 12.318 ( 5.407 0.000 7.293) 9.079 13.133 ( -2.251 0.000 -7.023) 7.375 13.133 ( 2.251 0.000 -7.023) 7.375 13.133 ( -2.251 0.000 7.023) 7.375 13.133 ( 2.251 0.000 7.023) 7.375 13.399 ( -2.995 0.000 -12.680) 13.029 13.399 ( 2.995 0.000 -12.680) 13.029 13.399 ( -2.995 0.000 12.680) 13.029 13.399 ( 2.995 0.000 12.680) 13.029 14.208 ( -0.547 0.000 -12.238) 12.250 14.208 ( 0.547 0.000 -12.238) 12.250 14.208 ( -0.547 0.000 12.238) 12.250 14.208 ( 0.547 0.000 12.238) 12.250 14.621 ( -1.257 0.000 -9.699) 9.780 14.621 ( 1.257 0.000 -9.699) 9.780 14.621 ( -1.257 0.000 9.699) 9.780 14.621 ( 1.257 0.000 9.699) 9.780 15.485 ( -0.087 0.000 -6.223) 6.223 15.485 ( 0.087 0.000 -6.223) 6.223 15.485 ( -0.087 0.000 6.223) 6.223 15.485 ( 0.087 0.000 6.223) 6.223 15.814 ( -0.988 0.000 -4.368) 4.478 15.814 ( 0.988 0.000 -4.368) 4.478 15.814 ( -0.988 0.000 4.368) 4.478 15.814 ( 0.988 0.000 4.368) 4.478 16.061 ( -3.210 0.000 -3.973) 5.108 16.061 ( 3.210 0.000 -3.973) 5.108 16.061 ( -3.210 0.000 3.973) 5.108 16.061 ( 3.210 0.000 3.973) 5.108 16.454 ( -1.814 0.000 -3.730) 4.147 16.454 ( 1.814 0.000 -3.730) 4.147 16.454 ( -1.814 0.000 3.730) 4.147 16.454 ( 1.814 0.000 3.730) 4.147 17.672 ( -0.663 0.000 -1.275) 1.437 17.672 ( 0.663 0.000 -1.275) 1.437 17.672 ( -0.663 0.000 1.275) 1.437 17.672 ( 0.663 0.000 1.275) 1.437 17.939 ( -0.699 0.000 -6.943) 6.978 17.939 ( 0.699 0.000 -6.943) 6.978 17.939 ( -0.699 0.000 6.943) 6.978 17.939 ( 0.699 0.000 6.943) 6.978 18.545 ( -1.079 0.000 -1.185) 1.603 18.545 ( 1.079 0.000 -1.185) 1.603 18.545 ( -1.079 0.000 1.185) 1.603 18.545 ( 1.079 0.000 1.185) 1.603 18.711 ( -1.502 0.000 -4.884) 5.109 18.711 ( 1.502 0.000 -4.884) 5.109 18.711 ( -1.502 0.000 4.884) 5.109 18.711 ( 1.502 0.000 4.884) 5.109 =================== 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 3/23040 10.0 1974.047 2089.221 1890.377 0.000 0.000 -0.000 3/23040 20.0 416.559 400.222 438.391 0.000 0.000 0.000 3/23040 30.0 174.997 156.214 185.192 0.000 0.000 0.000 3/23040 40.0 99.991 87.222 106.585 0.000 0.000 0.000 3/23040 50.0 67.367 58.370 72.082 0.000 0.000 0.000 3/23040 60.0 49.614 43.013 53.185 0.000 0.000 0.000 3/23040 70.0 38.512 33.517 41.324 0.000 0.000 0.000 3/23040 80.0 30.972 27.095 33.255 0.000 0.000 0.000 3/23040 90.0 25.585 22.507 27.485 0.000 0.000 0.000 3/23040 100.0 21.601 19.105 23.215 0.000 0.000 0.000 3/23040 110.0 18.573 16.510 19.971 0.000 0.000 0.000 3/23040 120.0 16.220 14.484 17.450 0.000 0.000 0.000 3/23040 130.0 14.356 12.870 15.452 0.000 0.000 0.000 3/23040 140.0 12.852 11.563 13.841 0.000 0.000 0.000 3/23040 150.0 11.620 10.487 12.521 0.000 0.000 0.000 3/23040 160.0 10.597 9.589 11.424 0.000 0.000 0.000 3/23040 170.0 9.736 8.830 10.501 0.000 0.000 0.000 3/23040 180.0 9.002 8.182 9.715 0.000 0.000 0.000 3/23040 190.0 8.371 7.622 9.039 0.000 0.000 0.000 3/23040 200.0 7.824 7.134 8.452 0.000 0.000 0.000 3/23040 210.0 7.344 6.706 7.937 0.000 0.000 0.000 3/23040 220.0 6.920 6.327 7.483 0.000 0.000 0.000 3/23040 230.0 6.544 5.990 7.079 0.000 0.000 0.000 3/23040 240.0 6.208 5.688 6.717 0.000 0.000 0.000 3/23040 250.0 5.905 5.415 6.392 0.000 0.000 0.000 3/23040 260.0 5.631 5.168 6.098 0.000 0.000 0.000 3/23040 270.0 5.383 4.943 5.831 0.000 0.000 0.000 3/23040 280.0 5.156 4.738 5.587 0.000 0.000 0.000 3/23040 290.0 4.948 4.549 5.363 0.000 0.000 0.000 3/23040 300.0 4.756 4.376 5.157 0.000 0.000 0.000 3/23040 310.0 4.580 4.216 4.967 0.000 0.000 0.000 3/23040 320.0 4.416 4.067 4.791 0.000 0.000 0.000 3/23040 330.0 4.265 3.929 4.627 0.000 0.000 0.000 3/23040 340.0 4.123 3.800 4.475 0.000 0.000 0.000 3/23040 350.0 3.991 3.679 4.332 0.000 0.000 0.000 3/23040 360.0 3.868 3.567 4.199 0.000 0.000 0.000 3/23040 370.0 3.752 3.461 4.074 0.000 0.000 0.000 3/23040 380.0 3.643 3.361 3.956 0.000 0.000 0.000 3/23040 390.0 3.540 3.267 3.846 0.000 0.000 0.000 3/23040 400.0 3.444 3.179 3.741 0.000 0.000 0.000 3/23040 410.0 3.352 3.095 3.642 0.000 0.000 0.000 3/23040 420.0 3.265 3.016 3.549 0.000 0.000 0.000 3/23040 430.0 3.183 2.941 3.460 0.000 0.000 0.000 3/23040 440.0 3.105 2.869 3.375 0.000 0.000 0.000 3/23040 450.0 3.031 2.801 3.295 0.000 0.000 0.000 3/23040 460.0 2.961 2.736 3.219 0.000 0.000 0.000 3/23040 470.0 2.893 2.674 3.146 0.000 0.000 0.000 3/23040 480.0 2.829 2.615 3.076 0.000 0.000 0.000 3/23040 490.0 2.768 2.559 3.010 0.000 0.000 0.000 3/23040 500.0 2.709 2.505 2.946 0.000 0.000 0.000 3/23040 510.0 2.653 2.453 2.886 0.000 0.000 0.000 3/23040 520.0 2.599 2.404 2.827 0.000 0.000 0.000 3/23040 530.0 2.547 2.356 2.771 0.000 0.000 0.000 3/23040 540.0 2.498 2.311 2.717 0.000 0.000 0.000 3/23040 550.0 2.450 2.267 2.666 0.000 0.000 0.000 3/23040 560.0 2.404 2.225 2.616 0.000 0.000 0.000 3/23040 570.0 2.360 2.184 2.568 0.000 0.000 0.000 3/23040 580.0 2.318 2.145 2.522 0.000 0.000 0.000 3/23040 590.0 2.277 2.107 2.478 0.000 0.000 0.000 3/23040 600.0 2.237 2.071 2.435 0.000 0.000 0.000 3/23040 610.0 2.199 2.035 2.393 0.000 0.000 0.000 3/23040 620.0 2.162 2.001 2.353 0.000 0.000 0.000 3/23040 630.0 2.126 1.969 2.315 0.000 0.000 0.000 3/23040 640.0 2.092 1.937 2.277 0.000 0.000 0.000 3/23040 650.0 2.059 1.906 2.241 0.000 0.000 0.000 3/23040 660.0 2.026 1.876 2.206 0.000 0.000 0.000 3/23040 670.0 1.995 1.847 2.172 0.000 0.000 0.000 3/23040 680.0 1.965 1.820 2.139 0.000 0.000 0.000 3/23040 690.0 1.936 1.792 2.107 0.000 0.000 0.000 3/23040 700.0 1.907 1.766 2.076 0.000 0.000 0.000 3/23040 710.0 1.879 1.741 2.046 0.000 0.000 0.000 3/23040 720.0 1.853 1.716 2.017 0.000 0.000 0.000 3/23040 730.0 1.826 1.692 1.989 0.000 0.000 0.000 3/23040 740.0 1.801 1.668 1.961 0.000 0.000 0.000 3/23040 750.0 1.776 1.646 1.935 0.000 0.000 0.000 3/23040 760.0 1.752 1.623 1.908 0.000 0.000 0.000 3/23040 770.0 1.729 1.602 1.883 0.000 0.000 0.000 3/23040 780.0 1.706 1.581 1.858 0.000 0.000 0.000 3/23040 790.0 1.684 1.560 1.834 0.000 0.000 0.000 3/23040 800.0 1.663 1.541 1.811 0.000 0.000 0.000 3/23040 810.0 1.642 1.521 1.788 0.000 0.000 0.000 3/23040 820.0 1.621 1.502 1.766 0.000 0.000 0.000 3/23040 830.0 1.601 1.484 1.744 0.000 0.000 0.000 3/23040 840.0 1.582 1.466 1.723 0.000 0.000 0.000 3/23040 850.0 1.563 1.448 1.702 0.000 0.000 0.000 3/23040 860.0 1.544 1.431 1.682 0.000 0.000 0.000 3/23040 870.0 1.526 1.414 1.663 0.000 0.000 0.000 3/23040 880.0 1.509 1.398 1.643 0.000 0.000 0.000 3/23040 890.0 1.491 1.382 1.625 0.000 0.000 0.000 3/23040 900.0 1.475 1.366 1.606 0.000 0.000 0.000 3/23040 910.0 1.458 1.351 1.588 0.000 0.000 0.000 3/23040 920.0 1.442 1.336 1.571 0.000 0.000 0.000 3/23040 930.0 1.426 1.322 1.554 0.000 0.000 0.000 3/23040 940.0 1.411 1.307 1.537 0.000 0.000 0.000 3/23040 950.0 1.396 1.293 1.520 0.000 0.000 0.000 3/23040 960.0 1.381 1.280 1.504 0.000 0.000 0.000 3/23040 970.0 1.366 1.266 1.489 0.000 0.000 0.000 3/23040 980.0 1.352 1.253 1.473 0.000 0.000 0.000 3/23040 990.0 1.338 1.241 1.458 0.000 0.000 0.000 3/23040 1000.0 1.325 1.228 1.443 0.000 0.000 0.000 3/23040 Thermal conductivity related properties were written into "kappa-m484.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:48:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|