----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:03:34]------------------------- 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: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.410207660002472 0.000000000000000 0.000000000000000 b 0.000000000000000 14.141207760000000 0.000000000000000 c -5.199041446570339 0.000000000000000 10.345788623755144 Atomic positions (fractional): *1 Si 0.44541810230388 0.71958372962139 0.30776884659848 28.085 2 Si 0.55458189769612 0.21958372962139 0.19223115340152 28.085 3 Si 0.55458189769612 0.28041627037861 0.69223115340152 28.085 4 Si 0.44541810230388 0.78041627037861 0.80776884659848 28.085 *5 Si 0.61623776874932 0.74975906303695 0.64313866938303 28.085 6 Si 0.38376223125068 0.24975906303695 0.85686133061697 28.085 7 Si 0.38376223125068 0.25024093696305 0.35686133061697 28.085 8 Si 0.61623776874932 0.75024093696305 0.14313866938303 28.085 *9 Si 0.74405903959133 0.51186888776718 0.79523321215032 28.085 10 Si 0.25594096040867 0.01186888776718 0.70476678784968 28.085 11 Si 0.25594096040867 0.48813111223282 0.20476678784968 28.085 12 Si 0.74405903959133 0.98813111223282 0.29523321215032 28.085 *13 Si 0.04722893988417 0.84918919491860 0.59038163987326 28.085 14 Si 0.95277106011583 0.34918919491860 0.90961836012674 28.085 15 Si 0.95277106011583 0.15081080508140 0.40961836012674 28.085 *16 Si 0.67225797505736 0.55683405618013 0.33612125057889 28.085 17 Si 0.04722893988417 0.65081080508140 0.09038163987325 28.085 *18 Si 0.35490288121080 0.06412958506961 0.51075677068227 28.085 19 Si 0.35490288121080 0.43587041493039 0.01075677068227 28.085 20 Si 0.64509711878920 0.93587041493039 0.48924322931773 28.085 *21 Si 0.14057987350490 0.88761102936084 0.39128400174339 28.085 22 Si 0.85942012649510 0.38761102936084 0.10871599825661 28.085 23 Si 0.85942012649510 0.11238897063916 0.60871599825661 28.085 24 Si 0.14057987350490 0.61238897063916 0.89128400174339 28.085 *25 Si 0.07386974206175 0.84036812704950 0.93362896082798 28.085 26 Si 0.92613025793825 0.34036812704949 0.56637103917202 28.085 27 Si 0.92613025793825 0.15963187295050 0.06637103917202 28.085 28 Si 0.07386974206175 0.65963187295050 0.43362896082798 28.085 *29 Si 0.25572218363732 0.49093244379361 0.42333958711098 28.085 30 Si 0.74427781636268 0.99093244379361 0.07666041288902 28.085 31 Si 0.74427781636268 0.50906755620639 0.57666041288902 28.085 32 Si 0.25572218363732 0.00906755620639 0.92333958711098 28.085 *33 Si 0.13752103577810 0.60936196767079 0.67300120443528 28.085 34 Si 0.86247896422190 0.10936196767079 0.82699879556472 28.085 35 Si 0.86247896422190 0.39063803232921 0.32699879556472 28.085 36 Si 0.13752103577810 0.89063803232921 0.17300120443528 28.085 37 Si 0.67225797505736 0.94316594381987 0.83612125057889 28.085 38 Si 0.32774202494263 0.44316594381987 0.66387874942111 28.085 39 Si 0.32774202494263 0.05683405618013 0.16387874942111 28.085 40 Si 0.64509711878920 0.56412958506961 0.98924322931773 28.085 *41 Ir 0.76652528623013 0.66489607058308 0.50742688729150 192.217 42 Ir 0.23347471376987 0.16489607058308 0.99257311270850 192.217 43 Ir 0.23347471376987 0.33510392941692 0.49257311270850 192.217 44 Ir 0.76652528623013 0.83510392941692 0.00742688729150 192.217 *45 Ir 0.76338371011867 0.83251462809513 0.36602267103723 192.217 46 Ir 0.23661628988133 0.33251462809513 0.13397732896277 192.217 47 Ir 0.23661628988133 0.16748537190487 0.63397732896277 192.217 48 Ir 0.76338371011867 0.66748537190487 0.86602267103723 192.217 *49 Ir 0.91731050027837 0.54445117170742 0.22705635155340 192.217 50 Ir 0.08268949972163 0.04445117170742 0.27294364844660 192.217 51 Ir 0.08268949972163 0.45554882829258 0.77294364844660 192.217 52 Ir 0.91731050027837 0.95554882829258 0.72705635155340 192.217 *53 Ir 0.04737596019226 0.74771705932625 0.25591937448958 192.217 54 Ir 0.95262403980774 0.24771705932625 0.24408062551042 192.217 55 Ir 0.95262403980774 0.25228294067375 0.74408062551042 192.217 56 Ir 0.04737596019226 0.75228294067375 0.75591937448958 192.217 *57 Ir 0.43542795866913 0.90575530791634 0.10400858424090 192.217 58 Ir 0.56457204133087 0.40575530791634 0.39599141575910 192.217 59 Ir 0.56457204133087 0.09424469208366 0.89599141575910 192.217 60 Ir 0.43542795866913 0.59424469208366 0.60400858424090 192.217 *61 Ir 0.57191379406775 0.09794985363296 0.38848309339402 192.217 62 Ir 0.42808620593225 0.59794985363296 0.11151690660598 192.217 63 Ir 0.42808620593225 0.90205014636704 0.61151690660598 192.217 64 Ir 0.57191379406775 0.40205014636704 0.88848309339402 192.217 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.410207660002472 0.000000000000000 0.000000000000000 b 0.000000000000000 14.141207760000000 0.000000000000000 c -5.199041446570339 0.000000000000000 10.345788623755144 Atomic positions (fractional): *1 Si 0.44541810230388 0.71958372962139 0.30776884659848 28.085 > 1 2 Si 0.55458189769612 0.21958372962139 0.19223115340152 28.085 > 2 3 Si 0.55458189769612 0.28041627037861 0.69223115340152 28.085 > 3 4 Si 0.44541810230388 0.78041627037861 0.80776884659848 28.085 > 4 *5 Si 0.61623776874932 0.74975906303695 0.64313866938303 28.085 > 5 6 Si 0.38376223125068 0.24975906303695 0.85686133061697 28.085 > 6 7 Si 0.38376223125068 0.25024093696305 0.35686133061697 28.085 > 7 8 Si 0.61623776874932 0.75024093696305 0.14313866938303 28.085 > 8 *9 Si 0.74405903959133 0.51186888776718 0.79523321215032 28.085 > 9 10 Si 0.25594096040867 0.01186888776718 0.70476678784968 28.085 > 10 11 Si 0.25594096040867 0.48813111223282 0.20476678784968 28.085 > 11 12 Si 0.74405903959133 0.98813111223282 0.29523321215032 28.085 > 12 *13 Si 0.04722893988417 0.84918919491860 0.59038163987326 28.085 > 13 14 Si 0.95277106011583 0.34918919491860 0.90961836012674 28.085 > 14 15 Si 0.95277106011583 0.15081080508140 0.40961836012674 28.085 > 15 *16 Si 0.67225797505736 0.55683405618013 0.33612125057889 28.085 > 16 17 Si 0.04722893988417 0.65081080508140 0.09038163987325 28.085 > 17 *18 Si 0.35490288121080 0.06412958506961 0.51075677068227 28.085 > 18 19 Si 0.35490288121080 0.43587041493039 0.01075677068227 28.085 > 19 20 Si 0.64509711878920 0.93587041493039 0.48924322931773 28.085 > 20 *21 Si 0.14057987350490 0.88761102936084 0.39128400174339 28.085 > 21 22 Si 0.85942012649510 0.38761102936084 0.10871599825661 28.085 > 22 23 Si 0.85942012649510 0.11238897063916 0.60871599825661 28.085 > 23 24 Si 0.14057987350490 0.61238897063916 0.89128400174339 28.085 > 24 *25 Si 0.07386974206175 0.84036812704950 0.93362896082798 28.085 > 25 26 Si 0.92613025793825 0.34036812704949 0.56637103917202 28.085 > 26 27 Si 0.92613025793825 0.15963187295050 0.06637103917202 28.085 > 27 28 Si 0.07386974206175 0.65963187295050 0.43362896082798 28.085 > 28 *29 Si 0.25572218363732 0.49093244379361 0.42333958711098 28.085 > 29 30 Si 0.74427781636268 0.99093244379361 0.07666041288902 28.085 > 30 31 Si 0.74427781636268 0.50906755620639 0.57666041288902 28.085 > 31 32 Si 0.25572218363732 0.00906755620639 0.92333958711098 28.085 > 32 *33 Si 0.13752103577810 0.60936196767079 0.67300120443528 28.085 > 33 34 Si 0.86247896422190 0.10936196767079 0.82699879556472 28.085 > 34 35 Si 0.86247896422190 0.39063803232921 0.32699879556472 28.085 > 35 36 Si 0.13752103577810 0.89063803232921 0.17300120443528 28.085 > 36 37 Si 0.67225797505736 0.94316594381987 0.83612125057889 28.085 > 37 38 Si 0.32774202494263 0.44316594381987 0.66387874942111 28.085 > 38 39 Si 0.32774202494263 0.05683405618013 0.16387874942111 28.085 > 39 40 Si 0.64509711878920 0.56412958506961 0.98924322931773 28.085 > 40 *41 Ir 0.76652528623013 0.66489607058308 0.50742688729150 192.217 > 41 42 Ir 0.23347471376987 0.16489607058308 0.99257311270850 192.217 > 42 43 Ir 0.23347471376987 0.33510392941692 0.49257311270850 192.217 > 43 44 Ir 0.76652528623013 0.83510392941692 0.00742688729150 192.217 > 44 *45 Ir 0.76338371011867 0.83251462809513 0.36602267103723 192.217 > 45 46 Ir 0.23661628988133 0.33251462809513 0.13397732896277 192.217 > 46 47 Ir 0.23661628988133 0.16748537190487 0.63397732896277 192.217 > 47 48 Ir 0.76338371011867 0.66748537190487 0.86602267103723 192.217 > 48 *49 Ir 0.91731050027837 0.54445117170742 0.22705635155340 192.217 > 49 50 Ir 0.08268949972163 0.04445117170742 0.27294364844660 192.217 > 50 51 Ir 0.08268949972163 0.45554882829258 0.77294364844660 192.217 > 51 52 Ir 0.91731050027837 0.95554882829258 0.72705635155340 192.217 > 52 *53 Ir 0.04737596019226 0.74771705932625 0.25591937448958 192.217 > 53 54 Ir 0.95262403980774 0.24771705932625 0.24408062551042 192.217 > 54 55 Ir 0.95262403980774 0.25228294067375 0.74408062551042 192.217 > 55 56 Ir 0.04737596019226 0.75228294067375 0.75591937448958 192.217 > 56 *57 Ir 0.43542795866913 0.90575530791634 0.10400858424090 192.217 > 57 58 Ir 0.56457204133087 0.40575530791634 0.39599141575910 192.217 > 58 59 Ir 0.56457204133087 0.09424469208366 0.89599141575910 192.217 > 59 60 Ir 0.43542795866913 0.59424469208366 0.60400858424090 192.217 > 60 *61 Ir 0.57191379406775 0.09794985363296 0.38848309339402 192.217 > 61 62 Ir 0.42808620593225 0.59794985363296 0.11151690660598 192.217 > 62 63 Ir 0.42808620593225 0.90205014636704 0.61151690660598 192.217 > 63 64 Ir 0.57191379406775 0.40205014636704 0.88848309339402 192.217 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.820415320004944 0.000000000000000 0.000000000000000 b 0.000000000000000 14.141207760000000 0.000000000000000 c -5.199041446570339 0.000000000000000 10.345788623755144 Atomic positions (fractional): *1 Si 0.22270905115194 0.71958372962139 0.30776884659848 28.085 > 1 2 Si 0.72270905115194 0.71958372962139 0.30776884659848 28.085 > 1 3 Si 0.27729094884806 0.21958372962139 0.19223115340152 28.085 > 2 4 Si 0.77729094884806 0.21958372962139 0.19223115340152 28.085 > 2 5 Si 0.27729094884806 0.28041627037861 0.69223115340152 28.085 > 3 6 Si 0.77729094884806 0.28041627037861 0.69223115340152 28.085 > 3 7 Si 0.22270905115194 0.78041627037861 0.80776884659848 28.085 > 4 8 Si 0.72270905115194 0.78041627037861 0.80776884659848 28.085 > 4 *9 Si 0.30811888437466 0.74975906303695 0.64313866938303 28.085 > 5 10 Si 0.80811888437466 0.74975906303695 0.64313866938303 28.085 > 5 11 Si 0.19188111562534 0.24975906303695 0.85686133061697 28.085 > 6 12 Si 0.69188111562534 0.24975906303695 0.85686133061697 28.085 > 6 13 Si 0.19188111562534 0.25024093696305 0.35686133061697 28.085 > 7 14 Si 0.69188111562534 0.25024093696305 0.35686133061697 28.085 > 7 15 Si 0.30811888437466 0.75024093696305 0.14313866938303 28.085 > 8 16 Si 0.80811888437466 0.75024093696305 0.14313866938303 28.085 > 8 *17 Si 0.37202951979566 0.51186888776718 0.79523321215032 28.085 > 9 18 Si 0.87202951979566 0.51186888776718 0.79523321215032 28.085 > 9 19 Si 0.12797048020433 0.01186888776718 0.70476678784968 28.085 > 10 20 Si 0.62797048020433 0.01186888776718 0.70476678784968 28.085 > 10 21 Si 0.12797048020433 0.48813111223282 0.20476678784968 28.085 > 11 22 Si 0.62797048020433 0.48813111223282 0.20476678784968 28.085 > 11 23 Si 0.37202951979566 0.98813111223282 0.29523321215032 28.085 > 12 24 Si 0.87202951979566 0.98813111223282 0.29523321215032 28.085 > 12 *25 Si 0.02361446994208 0.84918919491860 0.59038163987326 28.085 > 13 26 Si 0.52361446994208 0.84918919491860 0.59038163987326 28.085 > 13 27 Si 0.47638553005792 0.34918919491860 0.90961836012674 28.085 > 14 28 Si 0.97638553005792 0.34918919491860 0.90961836012674 28.085 > 14 29 Si 0.47638553005792 0.15081080508140 0.40961836012674 28.085 > 15 30 Si 0.97638553005792 0.15081080508140 0.40961836012674 28.085 > 15 *31 Si 0.33612898752868 0.55683405618013 0.33612125057889 28.085 > 16 32 Si 0.83612898752868 0.55683405618013 0.33612125057889 28.085 > 16 33 Si 0.02361446994208 0.65081080508140 0.09038163987325 28.085 > 17 34 Si 0.52361446994208 0.65081080508140 0.09038163987325 28.085 > 17 *35 Si 0.17745144060540 0.06412958506961 0.51075677068227 28.085 > 18 36 Si 0.67745144060540 0.06412958506961 0.51075677068227 28.085 > 18 37 Si 0.17745144060540 0.43587041493039 0.01075677068227 28.085 > 19 38 Si 0.67745144060540 0.43587041493039 0.01075677068227 28.085 > 19 39 Si 0.32254855939460 0.93587041493039 0.48924322931773 28.085 > 20 40 Si 0.82254855939460 0.93587041493039 0.48924322931773 28.085 > 20 *41 Si 0.07028993675245 0.88761102936084 0.39128400174339 28.085 > 21 42 Si 0.57028993675245 0.88761102936084 0.39128400174339 28.085 > 21 43 Si 0.42971006324755 0.38761102936084 0.10871599825661 28.085 > 22 44 Si 0.92971006324755 0.38761102936084 0.10871599825661 28.085 > 22 45 Si 0.42971006324755 0.11238897063916 0.60871599825661 28.085 > 23 46 Si 0.92971006324755 0.11238897063916 0.60871599825661 28.085 > 23 47 Si 0.07028993675245 0.61238897063916 0.89128400174339 28.085 > 24 48 Si 0.57028993675245 0.61238897063916 0.89128400174339 28.085 > 24 *49 Si 0.03693487103087 0.84036812704950 0.93362896082798 28.085 > 25 50 Si 0.53693487103087 0.84036812704950 0.93362896082798 28.085 > 25 51 Si 0.46306512896913 0.34036812704949 0.56637103917202 28.085 > 26 52 Si 0.96306512896913 0.34036812704949 0.56637103917202 28.085 > 26 53 Si 0.46306512896913 0.15963187295050 0.06637103917202 28.085 > 27 54 Si 0.96306512896913 0.15963187295050 0.06637103917202 28.085 > 27 55 Si 0.03693487103087 0.65963187295050 0.43362896082798 28.085 > 28 56 Si 0.53693487103087 0.65963187295050 0.43362896082798 28.085 > 28 *57 Si 0.12786109181866 0.49093244379361 0.42333958711098 28.085 > 29 58 Si 0.62786109181866 0.49093244379361 0.42333958711098 28.085 > 29 59 Si 0.37213890818134 0.99093244379361 0.07666041288902 28.085 > 30 60 Si 0.87213890818134 0.99093244379361 0.07666041288902 28.085 > 30 61 Si 0.37213890818134 0.50906755620639 0.57666041288902 28.085 > 31 62 Si 0.87213890818134 0.50906755620639 0.57666041288902 28.085 > 31 63 Si 0.12786109181866 0.00906755620639 0.92333958711098 28.085 > 32 64 Si 0.62786109181866 0.00906755620639 0.92333958711098 28.085 > 32 *65 Si 0.06876051788905 0.60936196767079 0.67300120443528 28.085 > 33 66 Si 0.56876051788905 0.60936196767079 0.67300120443528 28.085 > 33 67 Si 0.43123948211095 0.10936196767079 0.82699879556472 28.085 > 34 68 Si 0.93123948211095 0.10936196767079 0.82699879556472 28.085 > 34 69 Si 0.43123948211095 0.39063803232921 0.32699879556472 28.085 > 35 70 Si 0.93123948211095 0.39063803232921 0.32699879556472 28.085 > 35 71 Si 0.06876051788905 0.89063803232921 0.17300120443528 28.085 > 36 72 Si 0.56876051788905 0.89063803232921 0.17300120443528 28.085 > 36 73 Si 0.33612898752868 0.94316594381987 0.83612125057889 28.085 > 37 74 Si 0.83612898752868 0.94316594381987 0.83612125057889 28.085 > 37 75 Si 0.16387101247132 0.44316594381987 0.66387874942111 28.085 > 38 76 Si 0.66387101247132 0.44316594381987 0.66387874942111 28.085 > 38 77 Si 0.16387101247132 0.05683405618013 0.16387874942111 28.085 > 39 78 Si 0.66387101247132 0.05683405618013 0.16387874942111 28.085 > 39 79 Si 0.32254855939460 0.56412958506961 0.98924322931773 28.085 > 40 80 Si 0.82254855939460 0.56412958506961 0.98924322931773 28.085 > 40 *81 Ir 0.38326264311506 0.66489607058308 0.50742688729150 192.217 > 41 82 Ir 0.88326264311506 0.66489607058308 0.50742688729150 192.217 > 41 83 Ir 0.11673735688494 0.16489607058308 0.99257311270850 192.217 > 42 84 Ir 0.61673735688494 0.16489607058308 0.99257311270850 192.217 > 42 85 Ir 0.11673735688494 0.33510392941692 0.49257311270850 192.217 > 43 86 Ir 0.61673735688494 0.33510392941692 0.49257311270850 192.217 > 43 87 Ir 0.38326264311506 0.83510392941692 0.00742688729150 192.217 > 44 88 Ir 0.88326264311506 0.83510392941692 0.00742688729150 192.217 > 44 *89 Ir 0.38169185505934 0.83251462809513 0.36602267103723 192.217 > 45 90 Ir 0.88169185505934 0.83251462809513 0.36602267103723 192.217 > 45 91 Ir 0.11830814494066 0.33251462809513 0.13397732896277 192.217 > 46 92 Ir 0.61830814494066 0.33251462809513 0.13397732896277 192.217 > 46 93 Ir 0.11830814494066 0.16748537190487 0.63397732896277 192.217 > 47 94 Ir 0.61830814494066 0.16748537190487 0.63397732896277 192.217 > 47 95 Ir 0.38169185505934 0.66748537190487 0.86602267103723 192.217 > 48 96 Ir 0.88169185505934 0.66748537190487 0.86602267103723 192.217 > 48 *97 Ir 0.45865525013919 0.54445117170742 0.22705635155340 192.217 > 49 98 Ir 0.95865525013919 0.54445117170742 0.22705635155340 192.217 > 49 99 Ir 0.04134474986081 0.04445117170742 0.27294364844660 192.217 > 50 100 Ir 0.54134474986081 0.04445117170742 0.27294364844660 192.217 > 50 101 Ir 0.04134474986081 0.45554882829258 0.77294364844660 192.217 > 51 102 Ir 0.54134474986081 0.45554882829258 0.77294364844660 192.217 > 51 103 Ir 0.45865525013919 0.95554882829258 0.72705635155340 192.217 > 52 104 Ir 0.95865525013919 0.95554882829258 0.72705635155340 192.217 > 52 *105 Ir 0.02368798009613 0.74771705932625 0.25591937448958 192.217 > 53 106 Ir 0.52368798009613 0.74771705932625 0.25591937448958 192.217 > 53 107 Ir 0.47631201990387 0.24771705932625 0.24408062551042 192.217 > 54 108 Ir 0.97631201990387 0.24771705932625 0.24408062551042 192.217 > 54 109 Ir 0.47631201990387 0.25228294067375 0.74408062551042 192.217 > 55 110 Ir 0.97631201990387 0.25228294067375 0.74408062551042 192.217 > 55 111 Ir 0.02368798009613 0.75228294067375 0.75591937448958 192.217 > 56 112 Ir 0.52368798009613 0.75228294067375 0.75591937448958 192.217 > 56 *113 Ir 0.21771397933457 0.90575530791634 0.10400858424090 192.217 > 57 114 Ir 0.71771397933457 0.90575530791634 0.10400858424090 192.217 > 57 115 Ir 0.28228602066543 0.40575530791634 0.39599141575910 192.217 > 58 116 Ir 0.78228602066543 0.40575530791634 0.39599141575910 192.217 > 58 117 Ir 0.28228602066543 0.09424469208366 0.89599141575910 192.217 > 59 118 Ir 0.78228602066543 0.09424469208366 0.89599141575910 192.217 > 59 119 Ir 0.21771397933457 0.59424469208366 0.60400858424090 192.217 > 60 120 Ir 0.71771397933457 0.59424469208366 0.60400858424090 192.217 > 60 *121 Ir 0.28595689703388 0.09794985363296 0.38848309339402 192.217 > 61 122 Ir 0.78595689703388 0.09794985363296 0.38848309339402 192.217 > 61 123 Ir 0.21404310296612 0.59794985363296 0.11151690660598 192.217 > 62 124 Ir 0.71404310296612 0.59794985363296 0.11151690660598 192.217 > 62 125 Ir 0.21404310296612 0.90205014636704 0.61151690660598 192.217 > 63 126 Ir 0.71404310296612 0.90205014636704 0.61151690660598 192.217 > 63 127 Ir 0.28595689703388 0.40205014636704 0.88848309339402 192.217 > 64 128 Ir 0.78595689703388 0.40205014636704 0.88848309339402 192.217 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.6110880 0.0000000 -0.3041953 0.0000000 18.8140799 0.0000000 -0.3042038 0.0000000 19.3595840 -------------------------- Born effective charges -------------------------- 1 Si 3.3660414 -0.1066972 0.1095240 -0.1049424 3.4388579 -0.2197338 0.0119470 -0.4746507 3.4046500 2 Si 3.3660414 0.1066972 0.1095240 0.1049424 3.4388579 0.2197338 0.0119470 0.4746507 3.4046500 3 Si 3.3660414 -0.1066972 0.1095240 -0.1049424 3.4388579 -0.2197338 0.0119470 -0.4746507 3.4046500 4 Si 3.3660414 0.1066972 0.1095240 0.1049424 3.4388579 0.2197338 0.0119470 0.4746507 3.4046500 5 Si 3.2363287 0.1587123 -0.1062464 0.3972430 3.9902277 0.2509975 -0.2092209 0.4173285 3.6854853 6 Si 3.2363287 -0.1587123 -0.1062464 -0.3972430 3.9902277 -0.2509975 -0.2092209 -0.4173285 3.6854853 7 Si 3.2363287 0.1587123 -0.1062464 0.3972430 3.9902277 0.2509975 -0.2092209 0.4173285 3.6854853 8 Si 3.2363287 -0.1587123 -0.1062464 -0.3972430 3.9902277 -0.2509975 -0.2092209 -0.4173285 3.6854853 9 Si 3.1397746 0.0349343 0.0182803 0.4102340 3.1759120 -0.3247060 -0.3425875 -0.0270384 2.9139808 10 Si 3.1397746 -0.0349343 0.0182803 -0.4102340 3.1759120 0.3247060 -0.3425875 0.0270384 2.9139808 11 Si 3.1397746 0.0349343 0.0182803 0.4102340 3.1759120 -0.3247060 -0.3425875 -0.0270384 2.9139808 12 Si 3.1397746 -0.0349343 0.0182803 -0.4102340 3.1759120 0.3247060 -0.3425875 0.0270384 2.9139808 13 Si 3.5570123 0.2223185 0.0894943 0.0878471 3.8057492 -0.0137380 0.0325273 0.2821844 4.2691417 14 Si 3.5570123 -0.2223185 0.0894943 -0.0878471 3.8057492 0.0137380 0.0325273 -0.2821844 4.2691417 15 Si 3.5570123 0.2223185 0.0894943 0.0878471 3.8057492 -0.0137380 0.0325273 0.2821844 4.2691417 16 Si 2.9717911 0.1986379 -0.4266636 0.1621787 3.4376345 0.2338917 -0.2100831 0.2548296 3.2419123 17 Si 3.5570123 -0.2223185 0.0894943 -0.0878471 3.8057492 0.0137380 0.0325273 -0.2821844 4.2691417 18 Si 3.5720968 -0.0868906 -0.4137946 0.0818764 3.0669100 0.0357140 -0.3400428 -0.1919042 3.7730659 19 Si 3.5720968 0.0868906 -0.4137946 -0.0818764 3.0669100 -0.0357140 -0.3400428 0.1919042 3.7730659 20 Si 3.5720968 -0.0868906 -0.4137946 0.0818764 3.0669100 0.0357140 -0.3400428 -0.1919042 3.7730659 21 Si 3.2592981 -0.1344202 0.2327721 0.2419963 3.1563413 0.5337683 0.2183093 0.2031865 3.5732850 22 Si 3.2592981 0.1344202 0.2327721 -0.2419963 3.1563413 -0.5337683 0.2183093 -0.2031865 3.5732850 23 Si 3.2592981 -0.1344202 0.2327721 0.2419963 3.1563413 0.5337683 0.2183093 0.2031865 3.5732850 24 Si 3.2592981 0.1344202 0.2327721 -0.2419963 3.1563413 -0.5337683 0.2183093 -0.2031865 3.5732850 25 Si 3.8812210 -0.0721268 -0.2424154 0.2649003 3.5328124 0.4348734 -0.0225640 0.2771621 3.5091088 26 Si 3.8812210 0.0721268 -0.2424154 -0.2649003 3.5328124 -0.4348734 -0.0225640 -0.2771621 3.5091088 27 Si 3.8812210 -0.0721268 -0.2424154 0.2649003 3.5328124 0.4348734 -0.0225640 0.2771621 3.5091088 28 Si 3.8812210 0.0721268 -0.2424154 -0.2649003 3.5328124 -0.4348734 -0.0225640 -0.2771621 3.5091088 29 Si 3.1323439 -0.0533267 0.0792825 -0.0182124 3.3707163 0.3642257 0.0437608 -0.0751805 3.0097473 30 Si 3.1323439 0.0533267 0.0792825 0.0182124 3.3707163 -0.3642257 0.0437608 0.0751805 3.0097473 31 Si 3.1323439 -0.0533267 0.0792825 -0.0182124 3.3707163 0.3642257 0.0437608 -0.0751805 3.0097473 32 Si 3.1323439 0.0533267 0.0792825 0.0182124 3.3707163 -0.3642257 0.0437608 0.0751805 3.0097473 33 Si 3.6145560 0.0199314 0.0856576 -0.5495143 3.1842369 0.1884045 0.4172190 0.3256323 3.3801043 34 Si 3.6145560 -0.0199314 0.0856576 0.5495143 3.1842369 -0.1884045 0.4172190 -0.3256323 3.3801043 35 Si 3.6145560 0.0199314 0.0856576 -0.5495143 3.1842369 0.1884045 0.4172190 0.3256323 3.3801043 36 Si 3.6145560 -0.0199314 0.0856576 0.5495143 3.1842369 -0.1884045 0.4172190 -0.3256323 3.3801043 37 Si 2.9717911 -0.1986379 -0.4266636 -0.1621787 3.4376345 -0.2338917 -0.2100831 -0.2548296 3.2419123 38 Si 2.9717911 0.1986379 -0.4266636 0.1621787 3.4376345 0.2338917 -0.2100831 0.2548296 3.2419123 39 Si 2.9717911 -0.1986379 -0.4266636 -0.1621787 3.4376345 -0.2338917 -0.2100831 -0.2548296 3.2419123 40 Si 3.5720968 0.0868906 -0.4137946 -0.0818764 3.0669100 -0.0357140 -0.3400428 0.1919042 3.7730659 41 Ir -4.6413797 -0.0175580 -0.0348238 0.2988547 -5.1691177 0.2111254 0.0801884 -0.3805163 -4.9517347 42 Ir -4.6413797 0.0175580 -0.0348238 -0.2988547 -5.1691177 -0.2111254 0.0801884 0.3805163 -4.9517347 43 Ir -4.6413797 -0.0175580 -0.0348238 0.2988547 -5.1691177 0.2111254 0.0801884 -0.3805163 -4.9517347 44 Ir -4.6413797 0.0175580 -0.0348238 -0.2988547 -5.1691177 -0.2111254 0.0801884 0.3805163 -4.9517347 45 Ir -4.9614370 -0.2685097 -0.1791690 -0.2310640 -5.1853339 0.4071822 0.3901141 0.1146732 -5.4100088 46 Ir -4.9614370 0.2685097 -0.1791690 0.2310640 -5.1853339 -0.4071822 0.3901141 -0.1146732 -5.4100088 47 Ir -4.9614370 -0.2685097 -0.1791690 -0.2310640 -5.1853339 0.4071822 0.3901141 0.1146732 -5.4100088 48 Ir -4.9614370 0.2685097 -0.1791690 0.2310640 -5.1853339 -0.4071822 0.3901141 -0.1146732 -5.4100088 49 Ir -6.4042224 0.9771635 0.3807438 0.6754134 -7.0778345 -0.0172222 0.0912115 0.1890389 -6.6791088 50 Ir -6.4042224 -0.9771635 0.3807438 -0.6754134 -7.0778345 0.0172222 0.0912115 -0.1890389 -6.6791088 51 Ir -6.4042224 0.9771635 0.3807438 0.6754134 -7.0778345 -0.0172222 0.0912115 0.1890389 -6.6791088 52 Ir -6.4042224 -0.9771635 0.3807438 -0.6754134 -7.0778345 0.0172222 0.0912115 -0.1890389 -6.6791088 53 Ir -5.3749905 0.4170728 0.2158010 0.1159148 -5.1593646 -0.0137244 -0.4534176 0.1222028 -5.3113463 54 Ir -5.3749905 -0.4170728 0.2158010 -0.1159148 -5.1593646 0.0137244 -0.4534176 -0.1222028 -5.3113463 55 Ir -5.3749905 0.4170728 0.2158010 0.1159148 -5.1593646 -0.0137244 -0.4534176 0.1222028 -5.3113463 56 Ir -5.3749905 -0.4170728 0.2158010 -0.1159148 -5.1593646 0.0137244 -0.4534176 -0.1222028 -5.3113463 57 Ir -5.6239889 0.5408755 0.3648039 -0.0194837 -5.2015925 -0.2218019 0.0659406 -0.4201830 -5.5925875 58 Ir -5.6239889 -0.5408755 0.3648039 0.0194837 -5.2015925 0.2218019 0.0659406 0.4201830 -5.5925875 59 Ir -5.6239889 0.5408755 0.3648039 -0.0194837 -5.2015925 -0.2218019 0.0659406 -0.4201830 -5.5925875 60 Ir -5.6239889 -0.5408755 0.3648039 0.0194837 -5.2015925 0.2218019 0.0659406 0.4201830 -5.5925875 61 Ir -6.7244454 0.5224029 -0.1732465 0.0084729 -6.3661549 -0.5034616 0.2266978 0.2223615 -6.8156953 62 Ir -6.7244454 -0.5224029 -0.1732465 -0.0084729 -6.3661549 0.5034616 0.2266978 -0.2223615 -6.8156953 63 Ir -6.7244454 0.5224029 -0.1732465 0.0084729 -6.3661549 -0.5034616 0.2266978 0.2223615 -6.8156953 64 Ir -6.7244454 -0.5224029 -0.1732465 -0.0084729 -6.3661549 0.5034616 0.2266978 -0.2223615 -6.8156953 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9408 Number of blocks in projector: 9408 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 234 eigenvectors found. (2) Block: 548 / 548 (2) 266 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 116 (1) Compute compressed projector. (1) Use standard solver. (1) 84 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 285 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 531 eigenvectors found. (1) Complementary block size: 98 (1) Compute compressed projector. (1) Use standard solver. (1) 67 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 234 eigenvectors found. (2) Block: 548 / 548 (2) 266 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 116 (1) Compute compressed projector. (1) Use standard solver. (1) 84 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (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: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 234 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (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: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 234 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. Tree of FC basis block matrices: - (9408, 9265), data: False |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 27), data: (588, 43) @ (43, 27) |-- (88, 73), data: True |-- (250, 234), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 27), data: (588, 43) @ (43, 27) |-- (88, 73), data: True |-- (250, 234), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2016), data: False |-- (2048, 84), data: (2048, 116) @ (116, 84) |-- (548, 516), data: False |-- (548, 16), data: (548, 48) @ (48, 16) |-- (298, 266), data: True |-- (250, 234), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (2048, 2017), data: False |-- (2048, 67), data: (2048, 98) @ (98, 67) |-- (548, 531), data: False |-- (548, 13), data: (548, 30) @ (30, 13) |-- (298, 285), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 84), data: (2048, 116) @ (116, 84) |-- (548, 516), data: False |-- (548, 16), data: (548, 48) @ (48, 16) |-- (298, 266), data: True |-- (250, 234), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1920 - Time: 4.648 Solver_block: 200 / 1920 - Time: 5.112 Solver_block: 300 / 1920 - Time: 3.876 Solver_block: 400 / 1920 - Time: 4.121 Solver_block: 500 / 1920 - Time: 5.440 Solver_block: 600 / 1920 - Time: 5.223 Solver_block: 700 / 1920 - Time: 5.485 Solver_block: 800 / 1920 - Time: 4.969 Solver_block: 900 / 1920 - Time: 4.726 Solver_block: 1000 / 1920 - Time: 5.129 Solver_block: 1100 / 1920 - Time: 4.057 Solver_block: 1200 / 1920 - Time: 4.593 Solver_block: 1300 / 1920 - Time: 4.436 Solver_block: 1400 / 1920 - Time: 4.546 Solver_block: 1500 / 1920 - Time: 4.448 Solver_block: 1600 / 1920 - Time: 4.861 Solver_block: 1700 / 1920 - Time: 4.717 Solver_block: 1800 / 1920 - Time: 5.164 Solver_block: 1900 / 1920 - Time: 4.714 Solver_block: 1920 / 1920 - Time: 1.064 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 95.261 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9408 Number of blocks in projector: 9408 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 234 eigenvectors found. (2) Block: 548 / 548 (2) 266 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 116 (1) Compute compressed projector. (1) Use standard solver. (1) 84 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 285 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 531 eigenvectors found. (1) Complementary block size: 98 (1) Compute compressed projector. (1) Use standard solver. (1) 67 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 234 eigenvectors found. (2) Block: 548 / 548 (2) 266 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 116 (1) Compute compressed projector. (1) Use standard solver. (1) 84 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (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: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 234 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (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: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 234 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. Tree of FC basis block matrices: - (9408, 9265), data: False |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 27), data: (588, 43) @ (43, 27) |-- (88, 73), data: True |-- (250, 234), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 27), data: (588, 43) @ (43, 27) |-- (88, 73), data: True |-- (250, 234), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2016), data: False |-- (2048, 84), data: (2048, 116) @ (116, 84) |-- (548, 516), data: False |-- (548, 16), data: (548, 48) @ (48, 16) |-- (298, 266), data: True |-- (250, 234), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (2048, 2017), data: False |-- (2048, 67), data: (2048, 98) @ (98, 67) |-- (548, 531), data: False |-- (548, 13), data: (548, 30) @ (30, 13) |-- (298, 285), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 84), data: (2048, 116) @ (116, 84) |-- (548, 516), data: False |-- (548, 16), data: (548, 48) @ (48, 16) |-- (298, 266), data: True |-- (250, 234), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:07:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:07:46]------------------------- 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): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.410207660002472 0.000000000000000 0.000000000000000 b 0.000000000000000 14.141207760000000 0.000000000000000 c -5.199041446570339 0.000000000000000 10.345788623755144 Atomic positions (fractional): 1 Si 0.44541810230388 0.71958372962139 0.30776884659848 28.085 2 Si 0.55458189769612 0.21958372962139 0.19223115340152 28.085 3 Si 0.55458189769612 0.28041627037861 0.69223115340152 28.085 4 Si 0.44541810230388 0.78041627037861 0.80776884659848 28.085 5 Si 0.61623776874932 0.74975906303695 0.64313866938303 28.085 6 Si 0.38376223125068 0.24975906303695 0.85686133061697 28.085 7 Si 0.38376223125068 0.25024093696305 0.35686133061697 28.085 8 Si 0.61623776874932 0.75024093696305 0.14313866938303 28.085 9 Si 0.74405903959133 0.51186888776718 0.79523321215032 28.085 10 Si 0.25594096040867 0.01186888776718 0.70476678784968 28.085 11 Si 0.25594096040867 0.48813111223282 0.20476678784968 28.085 12 Si 0.74405903959133 0.98813111223282 0.29523321215032 28.085 13 Si 0.04722893988417 0.84918919491860 0.59038163987326 28.085 14 Si 0.95277106011583 0.34918919491860 0.90961836012674 28.085 15 Si 0.95277106011583 0.15081080508140 0.40961836012674 28.085 16 Si 0.67225797505736 0.55683405618013 0.33612125057889 28.085 17 Si 0.04722893988417 0.65081080508140 0.09038163987325 28.085 18 Si 0.35490288121080 0.06412958506961 0.51075677068227 28.085 19 Si 0.35490288121080 0.43587041493039 0.01075677068227 28.085 20 Si 0.64509711878920 0.93587041493039 0.48924322931773 28.085 21 Si 0.14057987350490 0.88761102936084 0.39128400174339 28.085 22 Si 0.85942012649510 0.38761102936084 0.10871599825661 28.085 23 Si 0.85942012649510 0.11238897063916 0.60871599825661 28.085 24 Si 0.14057987350490 0.61238897063916 0.89128400174339 28.085 25 Si 0.07386974206175 0.84036812704950 0.93362896082798 28.085 26 Si 0.92613025793825 0.34036812704949 0.56637103917202 28.085 27 Si 0.92613025793825 0.15963187295050 0.06637103917202 28.085 28 Si 0.07386974206175 0.65963187295050 0.43362896082798 28.085 29 Si 0.25572218363732 0.49093244379361 0.42333958711098 28.085 30 Si 0.74427781636268 0.99093244379361 0.07666041288902 28.085 31 Si 0.74427781636268 0.50906755620639 0.57666041288902 28.085 32 Si 0.25572218363732 0.00906755620639 0.92333958711098 28.085 33 Si 0.13752103577810 0.60936196767079 0.67300120443528 28.085 34 Si 0.86247896422190 0.10936196767079 0.82699879556472 28.085 35 Si 0.86247896422190 0.39063803232921 0.32699879556472 28.085 36 Si 0.13752103577810 0.89063803232921 0.17300120443528 28.085 37 Si 0.67225797505736 0.94316594381987 0.83612125057889 28.085 38 Si 0.32774202494263 0.44316594381987 0.66387874942111 28.085 39 Si 0.32774202494263 0.05683405618013 0.16387874942111 28.085 40 Si 0.64509711878920 0.56412958506961 0.98924322931773 28.085 41 Ir 0.76652528623013 0.66489607058308 0.50742688729150 192.217 42 Ir 0.23347471376987 0.16489607058308 0.99257311270850 192.217 43 Ir 0.23347471376987 0.33510392941692 0.49257311270850 192.217 44 Ir 0.76652528623013 0.83510392941692 0.00742688729150 192.217 45 Ir 0.76338371011867 0.83251462809513 0.36602267103723 192.217 46 Ir 0.23661628988133 0.33251462809513 0.13397732896277 192.217 47 Ir 0.23661628988133 0.16748537190487 0.63397732896277 192.217 48 Ir 0.76338371011867 0.66748537190487 0.86602267103723 192.217 49 Ir 0.91731050027837 0.54445117170742 0.22705635155340 192.217 50 Ir 0.08268949972163 0.04445117170742 0.27294364844660 192.217 51 Ir 0.08268949972163 0.45554882829258 0.77294364844660 192.217 52 Ir 0.91731050027837 0.95554882829258 0.72705635155340 192.217 53 Ir 0.04737596019226 0.74771705932625 0.25591937448958 192.217 54 Ir 0.95262403980774 0.24771705932625 0.24408062551042 192.217 55 Ir 0.95262403980774 0.25228294067375 0.74408062551042 192.217 56 Ir 0.04737596019226 0.75228294067375 0.75591937448958 192.217 57 Ir 0.43542795866913 0.90575530791634 0.10400858424090 192.217 58 Ir 0.56457204133087 0.40575530791634 0.39599141575910 192.217 59 Ir 0.56457204133087 0.09424469208366 0.89599141575910 192.217 60 Ir 0.43542795866913 0.59424469208366 0.60400858424090 192.217 61 Ir 0.57191379406775 0.09794985363296 0.38848309339402 192.217 62 Ir 0.42808620593225 0.59794985363296 0.11151690660598 192.217 63 Ir 0.42808620593225 0.90205014636704 0.61151690660598 192.217 64 Ir 0.57191379406775 0.40205014636704 0.88848309339402 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.820415320004944 0.000000000000000 0.000000000000000 b 0.000000000000000 14.141207760000000 0.000000000000000 c -5.199041446570339 0.000000000000000 10.345788623755144 Atomic positions (fractional): 1 Si 0.22270905115194 0.71958372962139 0.30776884659848 28.085 > 1 2 Si 0.72270905115194 0.71958372962139 0.30776884659848 28.085 > 1 3 Si 0.27729094884806 0.21958372962139 0.19223115340152 28.085 > 3 4 Si 0.77729094884806 0.21958372962139 0.19223115340152 28.085 > 3 5 Si 0.27729094884806 0.28041627037861 0.69223115340152 28.085 > 5 6 Si 0.77729094884806 0.28041627037861 0.69223115340152 28.085 > 5 7 Si 0.22270905115194 0.78041627037861 0.80776884659848 28.085 > 7 8 Si 0.72270905115194 0.78041627037861 0.80776884659848 28.085 > 7 9 Si 0.30811888437466 0.74975906303695 0.64313866938303 28.085 > 9 10 Si 0.80811888437466 0.74975906303695 0.64313866938303 28.085 > 9 11 Si 0.19188111562534 0.24975906303695 0.85686133061697 28.085 > 11 12 Si 0.69188111562534 0.24975906303695 0.85686133061697 28.085 > 11 13 Si 0.19188111562534 0.25024093696305 0.35686133061697 28.085 > 13 14 Si 0.69188111562534 0.25024093696305 0.35686133061697 28.085 > 13 15 Si 0.30811888437466 0.75024093696305 0.14313866938303 28.085 > 15 16 Si 0.80811888437466 0.75024093696305 0.14313866938303 28.085 > 15 17 Si 0.37202951979566 0.51186888776718 0.79523321215032 28.085 > 17 18 Si 0.87202951979566 0.51186888776718 0.79523321215032 28.085 > 17 19 Si 0.12797048020433 0.01186888776718 0.70476678784968 28.085 > 19 20 Si 0.62797048020433 0.01186888776718 0.70476678784968 28.085 > 19 21 Si 0.12797048020433 0.48813111223282 0.20476678784968 28.085 > 21 22 Si 0.62797048020433 0.48813111223282 0.20476678784968 28.085 > 21 23 Si 0.37202951979566 0.98813111223282 0.29523321215032 28.085 > 23 24 Si 0.87202951979566 0.98813111223282 0.29523321215032 28.085 > 23 25 Si 0.02361446994208 0.84918919491860 0.59038163987326 28.085 > 25 26 Si 0.52361446994208 0.84918919491860 0.59038163987326 28.085 > 25 27 Si 0.47638553005792 0.34918919491860 0.90961836012674 28.085 > 27 28 Si 0.97638553005792 0.34918919491860 0.90961836012674 28.085 > 27 29 Si 0.47638553005792 0.15081080508140 0.40961836012674 28.085 > 29 30 Si 0.97638553005792 0.15081080508140 0.40961836012674 28.085 > 29 31 Si 0.33612898752868 0.55683405618013 0.33612125057889 28.085 > 31 32 Si 0.83612898752868 0.55683405618013 0.33612125057889 28.085 > 31 33 Si 0.02361446994208 0.65081080508140 0.09038163987325 28.085 > 33 34 Si 0.52361446994208 0.65081080508140 0.09038163987325 28.085 > 33 35 Si 0.17745144060540 0.06412958506961 0.51075677068227 28.085 > 35 36 Si 0.67745144060540 0.06412958506961 0.51075677068227 28.085 > 35 37 Si 0.17745144060540 0.43587041493039 0.01075677068227 28.085 > 37 38 Si 0.67745144060540 0.43587041493039 0.01075677068227 28.085 > 37 39 Si 0.32254855939460 0.93587041493039 0.48924322931773 28.085 > 39 40 Si 0.82254855939460 0.93587041493039 0.48924322931773 28.085 > 39 41 Si 0.07028993675245 0.88761102936084 0.39128400174339 28.085 > 41 42 Si 0.57028993675245 0.88761102936084 0.39128400174339 28.085 > 41 43 Si 0.42971006324755 0.38761102936084 0.10871599825661 28.085 > 43 44 Si 0.92971006324755 0.38761102936084 0.10871599825661 28.085 > 43 45 Si 0.42971006324755 0.11238897063916 0.60871599825661 28.085 > 45 46 Si 0.92971006324755 0.11238897063916 0.60871599825661 28.085 > 45 47 Si 0.07028993675245 0.61238897063916 0.89128400174339 28.085 > 47 48 Si 0.57028993675245 0.61238897063916 0.89128400174339 28.085 > 47 49 Si 0.03693487103087 0.84036812704950 0.93362896082798 28.085 > 49 50 Si 0.53693487103087 0.84036812704950 0.93362896082798 28.085 > 49 51 Si 0.46306512896913 0.34036812704949 0.56637103917202 28.085 > 51 52 Si 0.96306512896913 0.34036812704949 0.56637103917202 28.085 > 51 53 Si 0.46306512896913 0.15963187295050 0.06637103917202 28.085 > 53 54 Si 0.96306512896913 0.15963187295050 0.06637103917202 28.085 > 53 55 Si 0.03693487103087 0.65963187295050 0.43362896082798 28.085 > 55 56 Si 0.53693487103087 0.65963187295050 0.43362896082798 28.085 > 55 57 Si 0.12786109181866 0.49093244379361 0.42333958711098 28.085 > 57 58 Si 0.62786109181866 0.49093244379361 0.42333958711098 28.085 > 57 59 Si 0.37213890818134 0.99093244379361 0.07666041288902 28.085 > 59 60 Si 0.87213890818134 0.99093244379361 0.07666041288902 28.085 > 59 61 Si 0.37213890818134 0.50906755620639 0.57666041288902 28.085 > 61 62 Si 0.87213890818134 0.50906755620639 0.57666041288902 28.085 > 61 63 Si 0.12786109181866 0.00906755620639 0.92333958711098 28.085 > 63 64 Si 0.62786109181866 0.00906755620639 0.92333958711098 28.085 > 63 65 Si 0.06876051788905 0.60936196767079 0.67300120443528 28.085 > 65 66 Si 0.56876051788905 0.60936196767079 0.67300120443528 28.085 > 65 67 Si 0.43123948211095 0.10936196767079 0.82699879556472 28.085 > 67 68 Si 0.93123948211095 0.10936196767079 0.82699879556472 28.085 > 67 69 Si 0.43123948211095 0.39063803232921 0.32699879556472 28.085 > 69 70 Si 0.93123948211095 0.39063803232921 0.32699879556472 28.085 > 69 71 Si 0.06876051788905 0.89063803232921 0.17300120443528 28.085 > 71 72 Si 0.56876051788905 0.89063803232921 0.17300120443528 28.085 > 71 73 Si 0.33612898752868 0.94316594381987 0.83612125057889 28.085 > 73 74 Si 0.83612898752868 0.94316594381987 0.83612125057889 28.085 > 73 75 Si 0.16387101247132 0.44316594381987 0.66387874942111 28.085 > 75 76 Si 0.66387101247132 0.44316594381987 0.66387874942111 28.085 > 75 77 Si 0.16387101247132 0.05683405618013 0.16387874942111 28.085 > 77 78 Si 0.66387101247132 0.05683405618013 0.16387874942111 28.085 > 77 79 Si 0.32254855939460 0.56412958506961 0.98924322931773 28.085 > 79 80 Si 0.82254855939460 0.56412958506961 0.98924322931773 28.085 > 79 81 Ir 0.38326264311506 0.66489607058308 0.50742688729150 192.217 > 81 82 Ir 0.88326264311506 0.66489607058308 0.50742688729150 192.217 > 81 83 Ir 0.11673735688494 0.16489607058308 0.99257311270850 192.217 > 83 84 Ir 0.61673735688494 0.16489607058308 0.99257311270850 192.217 > 83 85 Ir 0.11673735688494 0.33510392941692 0.49257311270850 192.217 > 85 86 Ir 0.61673735688494 0.33510392941692 0.49257311270850 192.217 > 85 87 Ir 0.38326264311506 0.83510392941692 0.00742688729150 192.217 > 87 88 Ir 0.88326264311506 0.83510392941692 0.00742688729150 192.217 > 87 89 Ir 0.38169185505934 0.83251462809513 0.36602267103723 192.217 > 89 90 Ir 0.88169185505934 0.83251462809513 0.36602267103723 192.217 > 89 91 Ir 0.11830814494066 0.33251462809513 0.13397732896277 192.217 > 91 92 Ir 0.61830814494066 0.33251462809513 0.13397732896277 192.217 > 91 93 Ir 0.11830814494066 0.16748537190487 0.63397732896277 192.217 > 93 94 Ir 0.61830814494066 0.16748537190487 0.63397732896277 192.217 > 93 95 Ir 0.38169185505934 0.66748537190487 0.86602267103723 192.217 > 95 96 Ir 0.88169185505934 0.66748537190487 0.86602267103723 192.217 > 95 97 Ir 0.45865525013919 0.54445117170742 0.22705635155340 192.217 > 97 98 Ir 0.95865525013919 0.54445117170742 0.22705635155340 192.217 > 97 99 Ir 0.04134474986081 0.04445117170742 0.27294364844660 192.217 > 99 100 Ir 0.54134474986081 0.04445117170742 0.27294364844660 192.217 > 99 101 Ir 0.04134474986081 0.45554882829258 0.77294364844660 192.217 > 101 102 Ir 0.54134474986081 0.45554882829258 0.77294364844660 192.217 > 101 103 Ir 0.45865525013919 0.95554882829258 0.72705635155340 192.217 > 103 104 Ir 0.95865525013919 0.95554882829258 0.72705635155340 192.217 > 103 105 Ir 0.02368798009613 0.74771705932625 0.25591937448958 192.217 > 105 106 Ir 0.52368798009613 0.74771705932625 0.25591937448958 192.217 > 105 107 Ir 0.47631201990387 0.24771705932625 0.24408062551042 192.217 > 107 108 Ir 0.97631201990387 0.24771705932625 0.24408062551042 192.217 > 107 109 Ir 0.47631201990387 0.25228294067375 0.74408062551042 192.217 > 109 110 Ir 0.97631201990387 0.25228294067375 0.74408062551042 192.217 > 109 111 Ir 0.02368798009613 0.75228294067375 0.75591937448958 192.217 > 111 112 Ir 0.52368798009613 0.75228294067375 0.75591937448958 192.217 > 111 113 Ir 0.21771397933457 0.90575530791634 0.10400858424090 192.217 > 113 114 Ir 0.71771397933457 0.90575530791634 0.10400858424090 192.217 > 113 115 Ir 0.28228602066543 0.40575530791634 0.39599141575910 192.217 > 115 116 Ir 0.78228602066543 0.40575530791634 0.39599141575910 192.217 > 115 117 Ir 0.28228602066543 0.09424469208366 0.89599141575910 192.217 > 117 118 Ir 0.78228602066543 0.09424469208366 0.89599141575910 192.217 > 117 119 Ir 0.21771397933457 0.59424469208366 0.60400858424090 192.217 > 119 120 Ir 0.71771397933457 0.59424469208366 0.60400858424090 192.217 > 119 121 Ir 0.28595689703388 0.09794985363296 0.38848309339402 192.217 > 121 122 Ir 0.78595689703388 0.09794985363296 0.38848309339402 192.217 > 121 123 Ir 0.21404310296612 0.59794985363296 0.11151690660598 192.217 > 123 124 Ir 0.71404310296612 0.59794985363296 0.11151690660598 192.217 > 123 125 Ir 0.21404310296612 0.90205014636704 0.61151690660598 192.217 > 125 126 Ir 0.71404310296612 0.90205014636704 0.61151690660598 192.217 > 125 127 Ir 0.28595689703388 0.40205014636704 0.88848309339402 192.217 > 127 128 Ir 0.78595689703388 0.40205014636704 0.88848309339402 192.217 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.6110880 0.0000000 -0.3041953 0.0000000 18.8140799 0.0000000 -0.3042038 0.0000000 19.3595840 -------------------------- Born effective charges -------------------------- 1 Si 3.3660414 -0.1066972 0.1095240 -0.1049424 3.4388579 -0.2197338 0.0119470 -0.4746507 3.4046500 2 Si 3.3660414 0.1066972 0.1095240 0.1049424 3.4388579 0.2197338 0.0119470 0.4746507 3.4046500 3 Si 3.3660414 -0.1066972 0.1095240 -0.1049424 3.4388579 -0.2197338 0.0119470 -0.4746507 3.4046500 4 Si 3.3660414 0.1066972 0.1095240 0.1049424 3.4388579 0.2197338 0.0119470 0.4746507 3.4046500 5 Si 3.2363287 0.1587123 -0.1062464 0.3972430 3.9902277 0.2509975 -0.2092209 0.4173285 3.6854853 6 Si 3.2363287 -0.1587123 -0.1062464 -0.3972430 3.9902277 -0.2509975 -0.2092209 -0.4173285 3.6854853 7 Si 3.2363287 0.1587123 -0.1062464 0.3972430 3.9902277 0.2509975 -0.2092209 0.4173285 3.6854853 8 Si 3.2363287 -0.1587123 -0.1062464 -0.3972430 3.9902277 -0.2509975 -0.2092209 -0.4173285 3.6854853 9 Si 3.1397746 0.0349343 0.0182803 0.4102340 3.1759120 -0.3247060 -0.3425875 -0.0270384 2.9139808 10 Si 3.1397746 -0.0349343 0.0182803 -0.4102340 3.1759120 0.3247060 -0.3425875 0.0270384 2.9139808 11 Si 3.1397746 0.0349343 0.0182803 0.4102340 3.1759120 -0.3247060 -0.3425875 -0.0270384 2.9139808 12 Si 3.1397746 -0.0349343 0.0182803 -0.4102340 3.1759120 0.3247060 -0.3425875 0.0270384 2.9139808 13 Si 3.5570123 0.2223185 0.0894943 0.0878471 3.8057492 -0.0137380 0.0325273 0.2821844 4.2691417 14 Si 3.5570123 -0.2223185 0.0894943 -0.0878471 3.8057492 0.0137380 0.0325273 -0.2821844 4.2691417 15 Si 3.5570123 0.2223185 0.0894943 0.0878471 3.8057492 -0.0137380 0.0325273 0.2821844 4.2691417 16 Si 2.9717911 0.1986379 -0.4266636 0.1621787 3.4376345 0.2338917 -0.2100831 0.2548296 3.2419123 17 Si 3.5570123 -0.2223185 0.0894943 -0.0878471 3.8057492 0.0137380 0.0325273 -0.2821844 4.2691417 18 Si 3.5720968 -0.0868906 -0.4137946 0.0818764 3.0669100 0.0357140 -0.3400428 -0.1919042 3.7730659 19 Si 3.5720968 0.0868906 -0.4137946 -0.0818764 3.0669100 -0.0357140 -0.3400428 0.1919042 3.7730659 20 Si 3.5720968 -0.0868906 -0.4137946 0.0818764 3.0669100 0.0357140 -0.3400428 -0.1919042 3.7730659 21 Si 3.2592981 -0.1344202 0.2327721 0.2419963 3.1563413 0.5337683 0.2183093 0.2031865 3.5732850 22 Si 3.2592981 0.1344202 0.2327721 -0.2419963 3.1563413 -0.5337683 0.2183093 -0.2031865 3.5732850 23 Si 3.2592981 -0.1344202 0.2327721 0.2419963 3.1563413 0.5337683 0.2183093 0.2031865 3.5732850 24 Si 3.2592981 0.1344202 0.2327721 -0.2419963 3.1563413 -0.5337683 0.2183093 -0.2031865 3.5732850 25 Si 3.8812210 -0.0721268 -0.2424154 0.2649003 3.5328124 0.4348734 -0.0225640 0.2771621 3.5091088 26 Si 3.8812210 0.0721268 -0.2424154 -0.2649003 3.5328124 -0.4348734 -0.0225640 -0.2771621 3.5091088 27 Si 3.8812210 -0.0721268 -0.2424154 0.2649003 3.5328124 0.4348734 -0.0225640 0.2771621 3.5091088 28 Si 3.8812210 0.0721268 -0.2424154 -0.2649003 3.5328124 -0.4348734 -0.0225640 -0.2771621 3.5091088 29 Si 3.1323439 -0.0533267 0.0792825 -0.0182124 3.3707163 0.3642257 0.0437608 -0.0751805 3.0097473 30 Si 3.1323439 0.0533267 0.0792825 0.0182124 3.3707163 -0.3642257 0.0437608 0.0751805 3.0097473 31 Si 3.1323439 -0.0533267 0.0792825 -0.0182124 3.3707163 0.3642257 0.0437608 -0.0751805 3.0097473 32 Si 3.1323439 0.0533267 0.0792825 0.0182124 3.3707163 -0.3642257 0.0437608 0.0751805 3.0097473 33 Si 3.6145560 0.0199314 0.0856576 -0.5495143 3.1842369 0.1884045 0.4172190 0.3256323 3.3801043 34 Si 3.6145560 -0.0199314 0.0856576 0.5495143 3.1842369 -0.1884045 0.4172190 -0.3256323 3.3801043 35 Si 3.6145560 0.0199314 0.0856576 -0.5495143 3.1842369 0.1884045 0.4172190 0.3256323 3.3801043 36 Si 3.6145560 -0.0199314 0.0856576 0.5495143 3.1842369 -0.1884045 0.4172190 -0.3256323 3.3801043 37 Si 2.9717911 -0.1986379 -0.4266636 -0.1621787 3.4376345 -0.2338917 -0.2100831 -0.2548296 3.2419123 38 Si 2.9717911 0.1986379 -0.4266636 0.1621787 3.4376345 0.2338917 -0.2100831 0.2548296 3.2419123 39 Si 2.9717911 -0.1986379 -0.4266636 -0.1621787 3.4376345 -0.2338917 -0.2100831 -0.2548296 3.2419123 40 Si 3.5720968 0.0868906 -0.4137946 -0.0818764 3.0669100 -0.0357140 -0.3400428 0.1919042 3.7730659 41 Ir -4.6413797 -0.0175580 -0.0348238 0.2988547 -5.1691177 0.2111254 0.0801884 -0.3805163 -4.9517347 42 Ir -4.6413797 0.0175580 -0.0348238 -0.2988547 -5.1691177 -0.2111254 0.0801884 0.3805163 -4.9517347 43 Ir -4.6413797 -0.0175580 -0.0348238 0.2988547 -5.1691177 0.2111254 0.0801884 -0.3805163 -4.9517347 44 Ir -4.6413797 0.0175580 -0.0348238 -0.2988547 -5.1691177 -0.2111254 0.0801884 0.3805163 -4.9517347 45 Ir -4.9614370 -0.2685097 -0.1791690 -0.2310640 -5.1853339 0.4071822 0.3901141 0.1146732 -5.4100088 46 Ir -4.9614370 0.2685097 -0.1791690 0.2310640 -5.1853339 -0.4071822 0.3901141 -0.1146732 -5.4100088 47 Ir -4.9614370 -0.2685097 -0.1791690 -0.2310640 -5.1853339 0.4071822 0.3901141 0.1146732 -5.4100088 48 Ir -4.9614370 0.2685097 -0.1791690 0.2310640 -5.1853339 -0.4071822 0.3901141 -0.1146732 -5.4100088 49 Ir -6.4042224 0.9771635 0.3807438 0.6754134 -7.0778345 -0.0172222 0.0912115 0.1890389 -6.6791088 50 Ir -6.4042224 -0.9771635 0.3807438 -0.6754134 -7.0778345 0.0172222 0.0912115 -0.1890389 -6.6791088 51 Ir -6.4042224 0.9771635 0.3807438 0.6754134 -7.0778345 -0.0172222 0.0912115 0.1890389 -6.6791088 52 Ir -6.4042224 -0.9771635 0.3807438 -0.6754134 -7.0778345 0.0172222 0.0912115 -0.1890389 -6.6791088 53 Ir -5.3749905 0.4170728 0.2158010 0.1159148 -5.1593646 -0.0137244 -0.4534176 0.1222028 -5.3113463 54 Ir -5.3749905 -0.4170728 0.2158010 -0.1159148 -5.1593646 0.0137244 -0.4534176 -0.1222028 -5.3113463 55 Ir -5.3749905 0.4170728 0.2158010 0.1159148 -5.1593646 -0.0137244 -0.4534176 0.1222028 -5.3113463 56 Ir -5.3749905 -0.4170728 0.2158010 -0.1159148 -5.1593646 0.0137244 -0.4534176 -0.1222028 -5.3113463 57 Ir -5.6239889 0.5408755 0.3648039 -0.0194837 -5.2015925 -0.2218019 0.0659406 -0.4201830 -5.5925875 58 Ir -5.6239889 -0.5408755 0.3648039 0.0194837 -5.2015925 0.2218019 0.0659406 0.4201830 -5.5925875 59 Ir -5.6239889 0.5408755 0.3648039 -0.0194837 -5.2015925 -0.2218019 0.0659406 -0.4201830 -5.5925875 60 Ir -5.6239889 -0.5408755 0.3648039 0.0194837 -5.2015925 0.2218019 0.0659406 0.4201830 -5.5925875 61 Ir -6.7244454 0.5224029 -0.1732465 0.0084729 -6.3661549 -0.5034616 0.2266978 0.2223615 -6.8156953 62 Ir -6.7244454 -0.5224029 -0.1732465 -0.0084729 -6.3661549 0.5034616 0.2266978 -0.2223615 -6.8156953 63 Ir -6.7244454 0.5224029 -0.1732465 0.0084729 -6.3661549 -0.5034616 0.2266978 0.2223615 -6.8156953 64 Ir -6.7244454 -0.5224029 -0.1732465 -0.0084729 -6.3661549 0.5034616 0.2266978 -0.2223615 -6.8156953 ---------------------------------------------------------------------------- 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 9, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 31, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 35, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 41, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 65, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:09:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:09:20]------------------------- 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): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.410207660002472 0.000000000000000 0.000000000000000 b 0.000000000000000 14.141207760000000 0.000000000000000 c -5.199041446570339 0.000000000000000 10.345788623755144 Atomic positions (fractional): 1 Si 0.44541810230388 0.71958372962139 0.30776884659848 28.085 2 Si 0.55458189769612 0.21958372962139 0.19223115340152 28.085 3 Si 0.55458189769612 0.28041627037861 0.69223115340152 28.085 4 Si 0.44541810230388 0.78041627037861 0.80776884659848 28.085 5 Si 0.61623776874932 0.74975906303695 0.64313866938303 28.085 6 Si 0.38376223125068 0.24975906303695 0.85686133061697 28.085 7 Si 0.38376223125068 0.25024093696305 0.35686133061697 28.085 8 Si 0.61623776874932 0.75024093696305 0.14313866938303 28.085 9 Si 0.74405903959133 0.51186888776718 0.79523321215032 28.085 10 Si 0.25594096040867 0.01186888776718 0.70476678784968 28.085 11 Si 0.25594096040867 0.48813111223282 0.20476678784968 28.085 12 Si 0.74405903959133 0.98813111223282 0.29523321215032 28.085 13 Si 0.04722893988417 0.84918919491860 0.59038163987326 28.085 14 Si 0.95277106011583 0.34918919491860 0.90961836012674 28.085 15 Si 0.95277106011583 0.15081080508140 0.40961836012674 28.085 16 Si 0.67225797505736 0.55683405618013 0.33612125057889 28.085 17 Si 0.04722893988417 0.65081080508140 0.09038163987325 28.085 18 Si 0.35490288121080 0.06412958506961 0.51075677068227 28.085 19 Si 0.35490288121080 0.43587041493039 0.01075677068227 28.085 20 Si 0.64509711878920 0.93587041493039 0.48924322931773 28.085 21 Si 0.14057987350490 0.88761102936084 0.39128400174339 28.085 22 Si 0.85942012649510 0.38761102936084 0.10871599825661 28.085 23 Si 0.85942012649510 0.11238897063916 0.60871599825661 28.085 24 Si 0.14057987350490 0.61238897063916 0.89128400174339 28.085 25 Si 0.07386974206175 0.84036812704950 0.93362896082798 28.085 26 Si 0.92613025793825 0.34036812704949 0.56637103917202 28.085 27 Si 0.92613025793825 0.15963187295050 0.06637103917202 28.085 28 Si 0.07386974206175 0.65963187295050 0.43362896082798 28.085 29 Si 0.25572218363732 0.49093244379361 0.42333958711098 28.085 30 Si 0.74427781636268 0.99093244379361 0.07666041288902 28.085 31 Si 0.74427781636268 0.50906755620639 0.57666041288902 28.085 32 Si 0.25572218363732 0.00906755620639 0.92333958711098 28.085 33 Si 0.13752103577810 0.60936196767079 0.67300120443528 28.085 34 Si 0.86247896422190 0.10936196767079 0.82699879556472 28.085 35 Si 0.86247896422190 0.39063803232921 0.32699879556472 28.085 36 Si 0.13752103577810 0.89063803232921 0.17300120443528 28.085 37 Si 0.67225797505736 0.94316594381987 0.83612125057889 28.085 38 Si 0.32774202494263 0.44316594381987 0.66387874942111 28.085 39 Si 0.32774202494263 0.05683405618013 0.16387874942111 28.085 40 Si 0.64509711878920 0.56412958506961 0.98924322931773 28.085 41 Ir 0.76652528623013 0.66489607058308 0.50742688729150 192.217 42 Ir 0.23347471376987 0.16489607058308 0.99257311270850 192.217 43 Ir 0.23347471376987 0.33510392941692 0.49257311270850 192.217 44 Ir 0.76652528623013 0.83510392941692 0.00742688729150 192.217 45 Ir 0.76338371011867 0.83251462809513 0.36602267103723 192.217 46 Ir 0.23661628988133 0.33251462809513 0.13397732896277 192.217 47 Ir 0.23661628988133 0.16748537190487 0.63397732896277 192.217 48 Ir 0.76338371011867 0.66748537190487 0.86602267103723 192.217 49 Ir 0.91731050027837 0.54445117170742 0.22705635155340 192.217 50 Ir 0.08268949972163 0.04445117170742 0.27294364844660 192.217 51 Ir 0.08268949972163 0.45554882829258 0.77294364844660 192.217 52 Ir 0.91731050027837 0.95554882829258 0.72705635155340 192.217 53 Ir 0.04737596019226 0.74771705932625 0.25591937448958 192.217 54 Ir 0.95262403980774 0.24771705932625 0.24408062551042 192.217 55 Ir 0.95262403980774 0.25228294067375 0.74408062551042 192.217 56 Ir 0.04737596019226 0.75228294067375 0.75591937448958 192.217 57 Ir 0.43542795866913 0.90575530791634 0.10400858424090 192.217 58 Ir 0.56457204133087 0.40575530791634 0.39599141575910 192.217 59 Ir 0.56457204133087 0.09424469208366 0.89599141575910 192.217 60 Ir 0.43542795866913 0.59424469208366 0.60400858424090 192.217 61 Ir 0.57191379406775 0.09794985363296 0.38848309339402 192.217 62 Ir 0.42808620593225 0.59794985363296 0.11151690660598 192.217 63 Ir 0.42808620593225 0.90205014636704 0.61151690660598 192.217 64 Ir 0.57191379406775 0.40205014636704 0.88848309339402 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.820415320004944 0.000000000000000 0.000000000000000 b 0.000000000000000 14.141207760000000 0.000000000000000 c -5.199041446570339 0.000000000000000 10.345788623755144 Atomic positions (fractional): 1 Si 0.22270905115194 0.71958372962139 0.30776884659848 28.085 > 1 2 Si 0.72270905115194 0.71958372962139 0.30776884659848 28.085 > 1 3 Si 0.27729094884806 0.21958372962139 0.19223115340152 28.085 > 3 4 Si 0.77729094884806 0.21958372962139 0.19223115340152 28.085 > 3 5 Si 0.27729094884806 0.28041627037861 0.69223115340152 28.085 > 5 6 Si 0.77729094884806 0.28041627037861 0.69223115340152 28.085 > 5 7 Si 0.22270905115194 0.78041627037861 0.80776884659848 28.085 > 7 8 Si 0.72270905115194 0.78041627037861 0.80776884659848 28.085 > 7 9 Si 0.30811888437466 0.74975906303695 0.64313866938303 28.085 > 9 10 Si 0.80811888437466 0.74975906303695 0.64313866938303 28.085 > 9 11 Si 0.19188111562534 0.24975906303695 0.85686133061697 28.085 > 11 12 Si 0.69188111562534 0.24975906303695 0.85686133061697 28.085 > 11 13 Si 0.19188111562534 0.25024093696305 0.35686133061697 28.085 > 13 14 Si 0.69188111562534 0.25024093696305 0.35686133061697 28.085 > 13 15 Si 0.30811888437466 0.75024093696305 0.14313866938303 28.085 > 15 16 Si 0.80811888437466 0.75024093696305 0.14313866938303 28.085 > 15 17 Si 0.37202951979566 0.51186888776718 0.79523321215032 28.085 > 17 18 Si 0.87202951979566 0.51186888776718 0.79523321215032 28.085 > 17 19 Si 0.12797048020433 0.01186888776718 0.70476678784968 28.085 > 19 20 Si 0.62797048020433 0.01186888776718 0.70476678784968 28.085 > 19 21 Si 0.12797048020433 0.48813111223282 0.20476678784968 28.085 > 21 22 Si 0.62797048020433 0.48813111223282 0.20476678784968 28.085 > 21 23 Si 0.37202951979566 0.98813111223282 0.29523321215032 28.085 > 23 24 Si 0.87202951979566 0.98813111223282 0.29523321215032 28.085 > 23 25 Si 0.02361446994208 0.84918919491860 0.59038163987326 28.085 > 25 26 Si 0.52361446994208 0.84918919491860 0.59038163987326 28.085 > 25 27 Si 0.47638553005792 0.34918919491860 0.90961836012674 28.085 > 27 28 Si 0.97638553005792 0.34918919491860 0.90961836012674 28.085 > 27 29 Si 0.47638553005792 0.15081080508140 0.40961836012674 28.085 > 29 30 Si 0.97638553005792 0.15081080508140 0.40961836012674 28.085 > 29 31 Si 0.33612898752868 0.55683405618013 0.33612125057889 28.085 > 31 32 Si 0.83612898752868 0.55683405618013 0.33612125057889 28.085 > 31 33 Si 0.02361446994208 0.65081080508140 0.09038163987325 28.085 > 33 34 Si 0.52361446994208 0.65081080508140 0.09038163987325 28.085 > 33 35 Si 0.17745144060540 0.06412958506961 0.51075677068227 28.085 > 35 36 Si 0.67745144060540 0.06412958506961 0.51075677068227 28.085 > 35 37 Si 0.17745144060540 0.43587041493039 0.01075677068227 28.085 > 37 38 Si 0.67745144060540 0.43587041493039 0.01075677068227 28.085 > 37 39 Si 0.32254855939460 0.93587041493039 0.48924322931773 28.085 > 39 40 Si 0.82254855939460 0.93587041493039 0.48924322931773 28.085 > 39 41 Si 0.07028993675245 0.88761102936084 0.39128400174339 28.085 > 41 42 Si 0.57028993675245 0.88761102936084 0.39128400174339 28.085 > 41 43 Si 0.42971006324755 0.38761102936084 0.10871599825661 28.085 > 43 44 Si 0.92971006324755 0.38761102936084 0.10871599825661 28.085 > 43 45 Si 0.42971006324755 0.11238897063916 0.60871599825661 28.085 > 45 46 Si 0.92971006324755 0.11238897063916 0.60871599825661 28.085 > 45 47 Si 0.07028993675245 0.61238897063916 0.89128400174339 28.085 > 47 48 Si 0.57028993675245 0.61238897063916 0.89128400174339 28.085 > 47 49 Si 0.03693487103087 0.84036812704950 0.93362896082798 28.085 > 49 50 Si 0.53693487103087 0.84036812704950 0.93362896082798 28.085 > 49 51 Si 0.46306512896913 0.34036812704949 0.56637103917202 28.085 > 51 52 Si 0.96306512896913 0.34036812704949 0.56637103917202 28.085 > 51 53 Si 0.46306512896913 0.15963187295050 0.06637103917202 28.085 > 53 54 Si 0.96306512896913 0.15963187295050 0.06637103917202 28.085 > 53 55 Si 0.03693487103087 0.65963187295050 0.43362896082798 28.085 > 55 56 Si 0.53693487103087 0.65963187295050 0.43362896082798 28.085 > 55 57 Si 0.12786109181866 0.49093244379361 0.42333958711098 28.085 > 57 58 Si 0.62786109181866 0.49093244379361 0.42333958711098 28.085 > 57 59 Si 0.37213890818134 0.99093244379361 0.07666041288902 28.085 > 59 60 Si 0.87213890818134 0.99093244379361 0.07666041288902 28.085 > 59 61 Si 0.37213890818134 0.50906755620639 0.57666041288902 28.085 > 61 62 Si 0.87213890818134 0.50906755620639 0.57666041288902 28.085 > 61 63 Si 0.12786109181866 0.00906755620639 0.92333958711098 28.085 > 63 64 Si 0.62786109181866 0.00906755620639 0.92333958711098 28.085 > 63 65 Si 0.06876051788905 0.60936196767079 0.67300120443528 28.085 > 65 66 Si 0.56876051788905 0.60936196767079 0.67300120443528 28.085 > 65 67 Si 0.43123948211095 0.10936196767079 0.82699879556472 28.085 > 67 68 Si 0.93123948211095 0.10936196767079 0.82699879556472 28.085 > 67 69 Si 0.43123948211095 0.39063803232921 0.32699879556472 28.085 > 69 70 Si 0.93123948211095 0.39063803232921 0.32699879556472 28.085 > 69 71 Si 0.06876051788905 0.89063803232921 0.17300120443528 28.085 > 71 72 Si 0.56876051788905 0.89063803232921 0.17300120443528 28.085 > 71 73 Si 0.33612898752868 0.94316594381987 0.83612125057889 28.085 > 73 74 Si 0.83612898752868 0.94316594381987 0.83612125057889 28.085 > 73 75 Si 0.16387101247132 0.44316594381987 0.66387874942111 28.085 > 75 76 Si 0.66387101247132 0.44316594381987 0.66387874942111 28.085 > 75 77 Si 0.16387101247132 0.05683405618013 0.16387874942111 28.085 > 77 78 Si 0.66387101247132 0.05683405618013 0.16387874942111 28.085 > 77 79 Si 0.32254855939460 0.56412958506961 0.98924322931773 28.085 > 79 80 Si 0.82254855939460 0.56412958506961 0.98924322931773 28.085 > 79 81 Ir 0.38326264311506 0.66489607058308 0.50742688729150 192.217 > 81 82 Ir 0.88326264311506 0.66489607058308 0.50742688729150 192.217 > 81 83 Ir 0.11673735688494 0.16489607058308 0.99257311270850 192.217 > 83 84 Ir 0.61673735688494 0.16489607058308 0.99257311270850 192.217 > 83 85 Ir 0.11673735688494 0.33510392941692 0.49257311270850 192.217 > 85 86 Ir 0.61673735688494 0.33510392941692 0.49257311270850 192.217 > 85 87 Ir 0.38326264311506 0.83510392941692 0.00742688729150 192.217 > 87 88 Ir 0.88326264311506 0.83510392941692 0.00742688729150 192.217 > 87 89 Ir 0.38169185505934 0.83251462809513 0.36602267103723 192.217 > 89 90 Ir 0.88169185505934 0.83251462809513 0.36602267103723 192.217 > 89 91 Ir 0.11830814494066 0.33251462809513 0.13397732896277 192.217 > 91 92 Ir 0.61830814494066 0.33251462809513 0.13397732896277 192.217 > 91 93 Ir 0.11830814494066 0.16748537190487 0.63397732896277 192.217 > 93 94 Ir 0.61830814494066 0.16748537190487 0.63397732896277 192.217 > 93 95 Ir 0.38169185505934 0.66748537190487 0.86602267103723 192.217 > 95 96 Ir 0.88169185505934 0.66748537190487 0.86602267103723 192.217 > 95 97 Ir 0.45865525013919 0.54445117170742 0.22705635155340 192.217 > 97 98 Ir 0.95865525013919 0.54445117170742 0.22705635155340 192.217 > 97 99 Ir 0.04134474986081 0.04445117170742 0.27294364844660 192.217 > 99 100 Ir 0.54134474986081 0.04445117170742 0.27294364844660 192.217 > 99 101 Ir 0.04134474986081 0.45554882829258 0.77294364844660 192.217 > 101 102 Ir 0.54134474986081 0.45554882829258 0.77294364844660 192.217 > 101 103 Ir 0.45865525013919 0.95554882829258 0.72705635155340 192.217 > 103 104 Ir 0.95865525013919 0.95554882829258 0.72705635155340 192.217 > 103 105 Ir 0.02368798009613 0.74771705932625 0.25591937448958 192.217 > 105 106 Ir 0.52368798009613 0.74771705932625 0.25591937448958 192.217 > 105 107 Ir 0.47631201990387 0.24771705932625 0.24408062551042 192.217 > 107 108 Ir 0.97631201990387 0.24771705932625 0.24408062551042 192.217 > 107 109 Ir 0.47631201990387 0.25228294067375 0.74408062551042 192.217 > 109 110 Ir 0.97631201990387 0.25228294067375 0.74408062551042 192.217 > 109 111 Ir 0.02368798009613 0.75228294067375 0.75591937448958 192.217 > 111 112 Ir 0.52368798009613 0.75228294067375 0.75591937448958 192.217 > 111 113 Ir 0.21771397933457 0.90575530791634 0.10400858424090 192.217 > 113 114 Ir 0.71771397933457 0.90575530791634 0.10400858424090 192.217 > 113 115 Ir 0.28228602066543 0.40575530791634 0.39599141575910 192.217 > 115 116 Ir 0.78228602066543 0.40575530791634 0.39599141575910 192.217 > 115 117 Ir 0.28228602066543 0.09424469208366 0.89599141575910 192.217 > 117 118 Ir 0.78228602066543 0.09424469208366 0.89599141575910 192.217 > 117 119 Ir 0.21771397933457 0.59424469208366 0.60400858424090 192.217 > 119 120 Ir 0.71771397933457 0.59424469208366 0.60400858424090 192.217 > 119 121 Ir 0.28595689703388 0.09794985363296 0.38848309339402 192.217 > 121 122 Ir 0.78595689703388 0.09794985363296 0.38848309339402 192.217 > 121 123 Ir 0.21404310296612 0.59794985363296 0.11151690660598 192.217 > 123 124 Ir 0.71404310296612 0.59794985363296 0.11151690660598 192.217 > 123 125 Ir 0.21404310296612 0.90205014636704 0.61151690660598 192.217 > 125 126 Ir 0.71404310296612 0.90205014636704 0.61151690660598 192.217 > 125 127 Ir 0.28595689703388 0.40205014636704 0.88848309339402 192.217 > 127 128 Ir 0.78595689703388 0.40205014636704 0.88848309339402 192.217 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 19.6110880 0.0000000 -0.3041953 0.0000000 18.8140799 0.0000000 -0.3042038 0.0000000 19.3595840 -------------------------- Born effective charges -------------------------- 1 Si 3.3660414 -0.1066972 0.1095240 -0.1049424 3.4388579 -0.2197338 0.0119470 -0.4746507 3.4046500 2 Si 3.3660414 0.1066972 0.1095240 0.1049424 3.4388579 0.2197338 0.0119470 0.4746507 3.4046500 3 Si 3.3660414 -0.1066972 0.1095240 -0.1049424 3.4388579 -0.2197338 0.0119470 -0.4746507 3.4046500 4 Si 3.3660414 0.1066972 0.1095240 0.1049424 3.4388579 0.2197338 0.0119470 0.4746507 3.4046500 5 Si 3.2363287 0.1587123 -0.1062464 0.3972430 3.9902277 0.2509975 -0.2092209 0.4173285 3.6854853 6 Si 3.2363287 -0.1587123 -0.1062464 -0.3972430 3.9902277 -0.2509975 -0.2092209 -0.4173285 3.6854853 7 Si 3.2363287 0.1587123 -0.1062464 0.3972430 3.9902277 0.2509975 -0.2092209 0.4173285 3.6854853 8 Si 3.2363287 -0.1587123 -0.1062464 -0.3972430 3.9902277 -0.2509975 -0.2092209 -0.4173285 3.6854853 9 Si 3.1397746 0.0349343 0.0182803 0.4102340 3.1759120 -0.3247060 -0.3425875 -0.0270384 2.9139808 10 Si 3.1397746 -0.0349343 0.0182803 -0.4102340 3.1759120 0.3247060 -0.3425875 0.0270384 2.9139808 11 Si 3.1397746 0.0349343 0.0182803 0.4102340 3.1759120 -0.3247060 -0.3425875 -0.0270384 2.9139808 12 Si 3.1397746 -0.0349343 0.0182803 -0.4102340 3.1759120 0.3247060 -0.3425875 0.0270384 2.9139808 13 Si 3.5570123 0.2223185 0.0894943 0.0878471 3.8057492 -0.0137380 0.0325273 0.2821844 4.2691417 14 Si 3.5570123 -0.2223185 0.0894943 -0.0878471 3.8057492 0.0137380 0.0325273 -0.2821844 4.2691417 15 Si 3.5570123 0.2223185 0.0894943 0.0878471 3.8057492 -0.0137380 0.0325273 0.2821844 4.2691417 16 Si 2.9717911 0.1986379 -0.4266636 0.1621787 3.4376345 0.2338917 -0.2100831 0.2548296 3.2419123 17 Si 3.5570123 -0.2223185 0.0894943 -0.0878471 3.8057492 0.0137380 0.0325273 -0.2821844 4.2691417 18 Si 3.5720968 -0.0868906 -0.4137946 0.0818764 3.0669100 0.0357140 -0.3400428 -0.1919042 3.7730659 19 Si 3.5720968 0.0868906 -0.4137946 -0.0818764 3.0669100 -0.0357140 -0.3400428 0.1919042 3.7730659 20 Si 3.5720968 -0.0868906 -0.4137946 0.0818764 3.0669100 0.0357140 -0.3400428 -0.1919042 3.7730659 21 Si 3.2592981 -0.1344202 0.2327721 0.2419963 3.1563413 0.5337683 0.2183093 0.2031865 3.5732850 22 Si 3.2592981 0.1344202 0.2327721 -0.2419963 3.1563413 -0.5337683 0.2183093 -0.2031865 3.5732850 23 Si 3.2592981 -0.1344202 0.2327721 0.2419963 3.1563413 0.5337683 0.2183093 0.2031865 3.5732850 24 Si 3.2592981 0.1344202 0.2327721 -0.2419963 3.1563413 -0.5337683 0.2183093 -0.2031865 3.5732850 25 Si 3.8812210 -0.0721268 -0.2424154 0.2649003 3.5328124 0.4348734 -0.0225640 0.2771621 3.5091088 26 Si 3.8812210 0.0721268 -0.2424154 -0.2649003 3.5328124 -0.4348734 -0.0225640 -0.2771621 3.5091088 27 Si 3.8812210 -0.0721268 -0.2424154 0.2649003 3.5328124 0.4348734 -0.0225640 0.2771621 3.5091088 28 Si 3.8812210 0.0721268 -0.2424154 -0.2649003 3.5328124 -0.4348734 -0.0225640 -0.2771621 3.5091088 29 Si 3.1323439 -0.0533267 0.0792825 -0.0182124 3.3707163 0.3642257 0.0437608 -0.0751805 3.0097473 30 Si 3.1323439 0.0533267 0.0792825 0.0182124 3.3707163 -0.3642257 0.0437608 0.0751805 3.0097473 31 Si 3.1323439 -0.0533267 0.0792825 -0.0182124 3.3707163 0.3642257 0.0437608 -0.0751805 3.0097473 32 Si 3.1323439 0.0533267 0.0792825 0.0182124 3.3707163 -0.3642257 0.0437608 0.0751805 3.0097473 33 Si 3.6145560 0.0199314 0.0856576 -0.5495143 3.1842369 0.1884045 0.4172190 0.3256323 3.3801043 34 Si 3.6145560 -0.0199314 0.0856576 0.5495143 3.1842369 -0.1884045 0.4172190 -0.3256323 3.3801043 35 Si 3.6145560 0.0199314 0.0856576 -0.5495143 3.1842369 0.1884045 0.4172190 0.3256323 3.3801043 36 Si 3.6145560 -0.0199314 0.0856576 0.5495143 3.1842369 -0.1884045 0.4172190 -0.3256323 3.3801043 37 Si 2.9717911 -0.1986379 -0.4266636 -0.1621787 3.4376345 -0.2338917 -0.2100831 -0.2548296 3.2419123 38 Si 2.9717911 0.1986379 -0.4266636 0.1621787 3.4376345 0.2338917 -0.2100831 0.2548296 3.2419123 39 Si 2.9717911 -0.1986379 -0.4266636 -0.1621787 3.4376345 -0.2338917 -0.2100831 -0.2548296 3.2419123 40 Si 3.5720968 0.0868906 -0.4137946 -0.0818764 3.0669100 -0.0357140 -0.3400428 0.1919042 3.7730659 41 Ir -4.6413797 -0.0175580 -0.0348238 0.2988547 -5.1691177 0.2111254 0.0801884 -0.3805163 -4.9517347 42 Ir -4.6413797 0.0175580 -0.0348238 -0.2988547 -5.1691177 -0.2111254 0.0801884 0.3805163 -4.9517347 43 Ir -4.6413797 -0.0175580 -0.0348238 0.2988547 -5.1691177 0.2111254 0.0801884 -0.3805163 -4.9517347 44 Ir -4.6413797 0.0175580 -0.0348238 -0.2988547 -5.1691177 -0.2111254 0.0801884 0.3805163 -4.9517347 45 Ir -4.9614370 -0.2685097 -0.1791690 -0.2310640 -5.1853339 0.4071822 0.3901141 0.1146732 -5.4100088 46 Ir -4.9614370 0.2685097 -0.1791690 0.2310640 -5.1853339 -0.4071822 0.3901141 -0.1146732 -5.4100088 47 Ir -4.9614370 -0.2685097 -0.1791690 -0.2310640 -5.1853339 0.4071822 0.3901141 0.1146732 -5.4100088 48 Ir -4.9614370 0.2685097 -0.1791690 0.2310640 -5.1853339 -0.4071822 0.3901141 -0.1146732 -5.4100088 49 Ir -6.4042224 0.9771635 0.3807438 0.6754134 -7.0778345 -0.0172222 0.0912115 0.1890389 -6.6791088 50 Ir -6.4042224 -0.9771635 0.3807438 -0.6754134 -7.0778345 0.0172222 0.0912115 -0.1890389 -6.6791088 51 Ir -6.4042224 0.9771635 0.3807438 0.6754134 -7.0778345 -0.0172222 0.0912115 0.1890389 -6.6791088 52 Ir -6.4042224 -0.9771635 0.3807438 -0.6754134 -7.0778345 0.0172222 0.0912115 -0.1890389 -6.6791088 53 Ir -5.3749905 0.4170728 0.2158010 0.1159148 -5.1593646 -0.0137244 -0.4534176 0.1222028 -5.3113463 54 Ir -5.3749905 -0.4170728 0.2158010 -0.1159148 -5.1593646 0.0137244 -0.4534176 -0.1222028 -5.3113463 55 Ir -5.3749905 0.4170728 0.2158010 0.1159148 -5.1593646 -0.0137244 -0.4534176 0.1222028 -5.3113463 56 Ir -5.3749905 -0.4170728 0.2158010 -0.1159148 -5.1593646 0.0137244 -0.4534176 -0.1222028 -5.3113463 57 Ir -5.6239889 0.5408755 0.3648039 -0.0194837 -5.2015925 -0.2218019 0.0659406 -0.4201830 -5.5925875 58 Ir -5.6239889 -0.5408755 0.3648039 0.0194837 -5.2015925 0.2218019 0.0659406 0.4201830 -5.5925875 59 Ir -5.6239889 0.5408755 0.3648039 -0.0194837 -5.2015925 -0.2218019 0.0659406 -0.4201830 -5.5925875 60 Ir -5.6239889 -0.5408755 0.3648039 0.0194837 -5.2015925 0.2218019 0.0659406 0.4201830 -5.5925875 61 Ir -6.7244454 0.5224029 -0.1732465 0.0084729 -6.3661549 -0.5034616 0.2266978 0.2223615 -6.8156953 62 Ir -6.7244454 -0.5224029 -0.1732465 -0.0084729 -6.3661549 0.5034616 0.2266978 -0.2223615 -6.8156953 63 Ir -6.7244454 0.5224029 -0.1732465 0.0084729 -6.3661549 -0.5034616 0.2266978 0.2223615 -6.8156953 64 Ir -6.7244454 -0.5224029 -0.1732465 -0.0084729 -6.3661549 0.5034616 0.2266978 -0.2223615 -6.8156953 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 4 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 303, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/69) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 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 1.762 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.184 ( 0.000 0.000 0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 2.966 ( 0.000 0.000 0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.199 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.515 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 3.581 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.053 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.273 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.418 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.704 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.860 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.067 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.170 ( 0.000 0.000 0.000) 0.000 5.197 ( 0.000 0.000 0.000) 0.000 5.255 ( 0.000 0.000 0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.550 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 6.022 ( 0.000 0.000 0.000) 0.000 6.055 ( 0.000 0.000 0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 6.520 ( 0.000 0.000 0.000) 0.000 6.522 ( 0.000 0.000 0.000) 0.000 6.618 ( 0.000 0.000 0.000) 0.000 6.723 ( 0.000 0.000 0.000) 0.000 6.795 ( 0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.193 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 7.379 ( 0.000 0.000 0.000) 0.000 7.414 ( 0.000 0.000 0.000) 0.000 7.516 ( 0.000 0.000 0.000) 0.000 7.565 ( 0.000 0.000 0.000) 0.000 7.632 ( 0.000 0.000 0.000) 0.000 7.640 ( 0.000 0.000 0.000) 0.000 7.754 ( 0.000 0.000 0.000) 0.000 7.912 ( 0.000 0.000 0.000) 0.000 8.090 ( 0.000 0.000 0.000) 0.000 8.170 ( 0.000 0.000 0.000) 0.000 8.246 ( 0.000 0.000 0.000) 0.000 8.320 ( 0.000 0.000 0.000) 0.000 8.357 ( 0.000 0.000 0.000) 0.000 8.430 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.498 ( 0.000 0.000 0.000) 0.000 8.564 ( 0.000 0.000 0.000) 0.000 8.587 ( 0.000 0.000 0.000) 0.000 8.631 ( 0.000 0.000 0.000) 0.000 8.757 ( 0.000 0.000 0.000) 0.000 8.760 ( 0.000 0.000 0.000) 0.000 8.850 ( 0.000 0.000 0.000) 0.000 8.943 ( 0.000 0.000 0.000) 0.000 9.015 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.116 ( 0.000 0.000 0.000) 0.000 9.180 ( 0.000 0.000 0.000) 0.000 9.251 ( 0.000 0.000 0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 9.459 ( 0.000 0.000 0.000) 0.000 9.464 ( 0.000 0.000 0.000) 0.000 9.493 ( 0.000 0.000 0.000) 0.000 9.569 ( 0.000 0.000 0.000) 0.000 9.714 ( 0.000 0.000 0.000) 0.000 9.716 ( 0.000 0.000 0.000) 0.000 9.787 ( 0.000 0.000 0.000) 0.000 9.893 ( 0.000 0.000 0.000) 0.000 9.950 ( 0.000 0.000 0.000) 0.000 10.012 ( 0.000 0.000 0.000) 0.000 10.157 ( 0.000 0.000 0.000) 0.000 10.196 ( 0.000 0.000 0.000) 0.000 10.317 ( 0.000 0.000 0.000) 0.000 10.447 ( 0.000 0.000 0.000) 0.000 10.454 ( 0.000 0.000 0.000) 0.000 10.605 ( 0.000 0.000 0.000) 0.000 10.688 ( 0.000 0.000 0.000) 0.000 10.724 ( 0.000 0.000 0.000) 0.000 10.847 ( 0.000 0.000 0.000) 0.000 10.905 ( 0.000 0.000 0.000) 0.000 10.963 ( 0.000 0.000 0.000) 0.000 11.017 ( 0.000 0.000 0.000) 0.000 11.030 ( 0.000 0.000 0.000) 0.000 11.110 ( 0.000 0.000 0.000) 0.000 11.130 ( 0.000 0.000 0.000) 0.000 11.238 ( 0.000 0.000 0.000) 0.000 11.265 ( 0.000 0.000 0.000) 0.000 11.266 ( 0.000 0.000 0.000) 0.000 11.722 ( 0.000 0.000 0.000) 0.000 11.731 ( 0.000 0.000 0.000) 0.000 11.781 ( 0.000 0.000 0.000) 0.000 11.820 ( 0.000 0.000 0.000) 0.000 11.821 ( 0.000 0.000 0.000) 0.000 11.867 ( 0.000 0.000 0.000) 0.000 12.052 ( 0.000 0.000 0.000) 0.000 12.109 ( 0.000 0.000 0.000) 0.000 12.203 ( 0.000 0.000 0.000) 0.000 12.208 ( 0.000 0.000 0.000) 0.000 12.245 ( 0.000 0.000 0.000) 0.000 12.340 ( 0.000 0.000 0.000) 0.000 12.382 ( 0.000 0.000 0.000) 0.000 12.475 ( 0.000 0.000 0.000) 0.000 12.498 ( 0.000 0.000 0.000) 0.000 12.576 ( 0.000 0.000 0.000) 0.000 12.582 ( 0.000 0.000 0.000) 0.000 12.670 ( 0.000 0.000 0.000) 0.000 12.707 ( 0.000 0.000 0.000) 0.000 12.716 ( 0.000 0.000 0.000) 0.000 12.733 ( 0.000 0.000 0.000) 0.000 12.755 ( 0.000 0.000 0.000) 0.000 12.821 ( 0.000 0.000 0.000) 0.000 12.844 ( 0.000 0.000 0.000) 0.000 12.860 ( 0.000 0.000 0.000) 0.000 13.084 ( 0.000 0.000 0.000) 0.000 13.139 ( 0.000 0.000 0.000) 0.000 13.184 ( 0.000 0.000 0.000) 0.000 13.203 ( 0.000 0.000 0.000) 0.000 13.275 ( 0.000 0.000 0.000) 0.000 13.386 ( 0.000 0.000 0.000) 0.000 13.638 ( 0.000 0.000 0.000) 0.000 13.656 ( 0.000 0.000 0.000) 0.000 13.720 ( 0.000 0.000 0.000) 0.000 13.789 ( 0.000 0.000 0.000) 0.000 13.822 ( 0.000 0.000 0.000) 0.000 13.991 ( 0.000 0.000 0.000) 0.000 14.006 ( 0.000 0.000 0.000) 0.000 14.063 ( 0.000 0.000 0.000) 0.000 14.421 ( 0.000 0.000 0.000) 0.000 14.438 ( 0.000 0.000 0.000) 0.000 14.577 ( 0.000 0.000 0.000) 0.000 14.601 ( 0.000 0.000 0.000) 0.000 14.639 ( 0.000 0.000 0.000) 0.000 14.669 ( 0.000 0.000 0.000) 0.000 14.747 ( 0.000 0.000 0.000) 0.000 14.783 ( 0.000 0.000 0.000) 0.000 14.863 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/69) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 24.708 0.000 11.612) 27.301 0.695 ( 31.636 0.000 15.863) 35.390 1.103 ( 49.308 0.000 24.806) 55.196 1.873 ( 10.608 0.000 3.152) 11.066 2.174 ( 7.401 0.000 2.799) 7.913 2.268 ( 6.827 0.000 4.421) 8.133 2.418 ( 5.133 0.000 0.991) 5.227 2.423 ( 1.192 0.000 0.678) 1.371 2.426 ( 5.562 0.000 1.285) 5.708 2.510 ( 2.303 0.000 -4.022) 4.635 2.728 ( 6.868 0.000 -15.617) 17.060 2.854 ( 4.523 0.000 -15.405) 16.056 2.968 ( 0.746 0.000 8.951) 8.982 3.000 ( 2.208 0.000 -0.126) 2.211 3.023 ( 1.021 0.000 3.626) 3.767 3.148 ( -0.067 0.000 1.153) 1.155 3.165 ( 3.040 0.000 -3.341) 4.517 3.186 ( -2.018 0.000 -3.894) 4.386 3.285 ( 0.260 0.000 7.397) 7.401 3.373 ( 2.427 0.000 -3.263) 4.067 3.479 ( -2.294 0.000 -1.833) 2.936 3.529 ( 3.485 0.000 4.059) 5.350 3.552 ( -1.738 0.000 -1.171) 2.095 3.568 ( 1.788 0.000 5.497) 5.780 3.656 ( -4.345 0.000 -0.907) 4.439 3.681 ( 0.035 0.000 3.610) 3.610 3.733 ( 0.191 0.000 -1.874) 1.883 3.742 ( -2.031 0.000 -2.282) 3.055 3.825 ( -3.867 0.000 -1.261) 4.068 3.843 ( -0.986 0.000 3.108) 3.260 3.881 ( 0.690 0.000 -1.369) 1.533 3.952 ( 3.767 0.000 1.390) 4.015 3.956 ( 1.870 0.000 -0.864) 2.060 4.005 ( 2.997 0.000 -2.676) 4.018 4.045 ( -5.840 0.000 -0.201) 5.844 4.085 ( 1.515 0.000 0.628) 1.640 4.132 ( -1.481 0.000 -1.193) 1.902 4.193 ( -4.452 0.000 0.875) 4.537 4.244 ( -3.203 0.000 -0.670) 3.272 4.247 ( -3.071 0.000 -9.024) 9.532 4.324 ( -0.672 0.000 0.012) 0.673 4.397 ( 0.333 0.000 0.975) 1.030 4.412 ( -2.946 0.000 0.889) 3.078 4.430 ( -0.900 0.000 5.196) 5.273 4.481 ( -0.703 0.000 5.350) 5.396 4.576 ( -5.170 0.000 -0.921) 5.251 4.638 ( -4.863 0.000 -1.580) 5.113 4.647 ( -2.837 0.000 -1.142) 3.059 4.679 ( -4.496 0.000 -3.150) 5.490 4.698 ( -0.295 0.000 -2.647) 2.664 4.717 ( 3.410 0.000 -1.714) 3.816 4.720 ( 2.022 0.000 -3.897) 4.390 4.740 ( 5.556 0.000 7.035) 8.965 4.815 ( -3.056 0.000 -2.586) 4.003 4.875 ( -0.923 0.000 -0.720) 1.171 4.885 ( -3.647 0.000 1.657) 4.005 4.949 ( -0.318 0.000 0.443) 0.545 4.953 ( -2.049 0.000 0.835) 2.213 4.986 ( -2.377 0.000 2.130) 3.192 5.067 ( -0.773 0.000 -1.435) 1.631 5.073 ( 1.959 0.000 -0.518) 2.026 5.121 ( 2.695 0.000 -1.087) 2.906 5.184 ( 4.337 0.000 0.471) 4.362 5.193 ( 0.272 0.000 -0.198) 0.337 5.220 ( 2.895 0.000 2.469) 3.805 5.302 ( -0.773 0.000 -2.728) 2.835 5.306 ( 1.801 0.000 5.223) 5.525 5.393 ( 0.392 0.000 0.729) 0.827 5.529 ( -0.489 0.000 1.892) 1.954 5.547 ( -0.194 0.000 -0.111) 0.223 5.574 ( -2.765 0.000 -0.632) 2.836 5.649 ( -1.132 0.000 -1.170) 1.628 5.866 ( 3.616 0.000 0.819) 3.708 6.024 ( 0.294 0.000 -0.546) 0.620 6.067 ( 1.771 0.000 -0.772) 1.932 6.144 ( 0.333 0.000 -1.284) 1.327 6.492 ( -2.119 0.000 -1.282) 2.477 6.513 ( -1.072 0.000 -0.511) 1.188 6.577 ( -2.611 0.000 -2.437) 3.571 6.711 ( -3.761 0.000 3.376) 5.054 6.759 ( -2.598 0.000 1.970) 3.260 6.909 ( 4.261 0.000 -0.067) 4.261 6.986 ( -2.465 0.000 0.946) 2.640 7.169 ( -0.667 0.000 -2.333) 2.426 7.298 ( -1.102 0.000 -0.092) 1.106 7.350 ( -0.426 0.000 0.938) 1.031 7.399 ( 2.222 0.000 -0.634) 2.310 7.461 ( 1.998 0.000 1.379) 2.428 7.523 ( -1.429 0.000 2.657) 3.017 7.564 ( 1.366 0.000 -0.953) 1.666 7.613 ( -2.270 0.000 -1.173) 2.555 7.672 ( 4.501 0.000 -0.506) 4.529 7.767 ( 0.343 0.000 1.358) 1.401 7.887 ( -2.690 0.000 -1.496) 3.078 8.091 ( -0.169 0.000 0.254) 0.305 8.171 ( 0.251 0.000 -0.777) 0.816 8.236 ( -1.066 0.000 0.148) 1.076 8.256 ( -8.645 0.000 -2.901) 9.119 8.345 ( -1.966 0.000 -2.413) 3.113 8.444 ( -9.048 0.000 0.832) 9.086 8.465 ( -0.219 0.000 -0.849) 0.877 8.474 ( -4.022 0.000 2.782) 4.891 8.555 ( -3.548 0.000 1.599) 3.892 8.658 ( 0.195 0.000 2.656) 2.663 8.673 ( 0.221 0.000 -8.315) 8.318 8.783 ( 1.597 0.000 0.290) 1.623 8.809 ( -3.951 0.000 -5.659) 6.902 8.829 ( -1.301 0.000 2.002) 2.388 8.926 ( 1.164 0.000 2.092) 2.394 9.038 ( -0.381 0.000 -0.366) 0.528 9.089 ( -3.883 0.000 -5.450) 6.692 9.134 ( -7.440 0.000 8.562) 11.343 9.216 ( 0.303 0.000 6.893) 6.900 9.221 ( 1.653 0.000 1.916) 2.530 9.282 ( 4.791 0.000 1.794) 5.116 9.362 ( -7.166 0.000 1.001) 7.235 9.468 ( -1.086 0.000 0.363) 1.145 9.519 ( -1.636 0.000 3.178) 3.574 9.619 ( 3.037 0.000 4.453) 5.389 9.647 ( 0.283 0.000 -10.686) 10.690 9.697 ( 2.061 0.000 -2.821) 3.494 9.858 ( -0.670 0.000 4.190) 4.243 9.881 ( 7.063 0.000 -0.097) 7.064 9.955 ( 10.843 0.000 -2.389) 11.103 10.086 ( 3.165 0.000 4.050) 5.140 10.162 ( -1.974 0.000 -0.741) 2.109 10.237 ( 6.963 0.000 2.186) 7.298 10.345 ( 3.297 0.000 -0.619) 3.355 10.420 ( -1.493 0.000 -4.134) 4.395 10.467 ( 2.627 0.000 -1.028) 2.821 10.511 ( 7.772 0.000 -10.065) 12.717 10.547 ( -1.097 0.000 -2.919) 3.118 10.669 ( -2.222 0.000 1.301) 2.575 10.793 ( 4.563 0.000 1.188) 4.716 10.833 ( -1.844 0.000 -0.391) 1.885 10.892 ( -5.194 0.000 1.403) 5.380 10.999 ( -1.927 0.000 5.859) 6.168 11.050 ( 0.611 0.000 0.044) 0.613 11.085 ( 7.263 0.000 -4.985) 8.809 11.117 ( 0.649 0.000 -1.831) 1.942 11.126 ( 2.656 0.000 -1.888) 3.259 11.245 ( 0.097 0.000 1.555) 1.558 11.269 ( 1.244 0.000 -0.555) 1.362 11.328 ( -0.758 0.000 1.063) 1.306 11.740 ( 1.652 0.000 0.668) 1.782 11.769 ( 2.324 0.000 2.454) 3.379 11.778 ( -1.193 0.000 1.118) 1.635 11.823 ( -1.040 0.000 1.352) 1.706 11.850 ( 0.389 0.000 -2.614) 2.643 11.878 ( 0.451 0.000 -1.337) 1.411 12.079 ( 1.617 0.000 2.186) 2.719 12.200 ( -3.102 0.000 2.914) 4.256 12.214 ( 0.828 0.000 -0.138) 0.839 12.247 ( 1.641 0.000 -1.641) 2.321 12.293 ( -3.789 0.000 7.229) 8.162 12.317 ( -0.681 0.000 1.595) 1.735 12.353 ( -1.372 0.000 -2.010) 2.433 12.483 ( -2.549 0.000 3.736) 4.522 12.504 ( -0.984 0.000 -3.622) 3.753 12.538 ( -3.775 0.000 -1.235) 3.972 12.582 ( -1.521 0.000 -1.572) 2.187 12.616 ( -2.863 0.000 -2.490) 3.794 12.657 ( -2.236 0.000 0.218) 2.246 12.721 ( -5.158 0.000 -1.280) 5.315 12.740 ( 4.610 0.000 -1.174) 4.757 12.757 ( 1.015 0.000 2.486) 2.685 12.857 ( 0.609 0.000 -0.199) 0.641 12.894 ( 4.404 0.000 -1.352) 4.607 12.914 ( 1.941 0.000 4.772) 5.152 13.062 ( -1.220 0.000 -0.924) 1.531 13.168 ( 2.523 0.000 2.333) 3.437 13.212 ( 2.047 0.000 -2.194) 3.001 13.231 ( 4.268 0.000 -1.223) 4.440 13.259 ( -5.311 0.000 6.816) 8.641 13.412 ( 3.693 0.000 -5.536) 6.655 13.623 ( -5.267 0.000 8.039) 9.611 13.632 ( -0.745 0.000 -3.502) 3.581 13.723 ( 4.798 0.000 -9.654) 10.781 13.755 ( -1.925 0.000 -3.296) 3.817 13.851 ( -0.864 0.000 5.415) 5.483 13.947 ( -5.080 0.000 0.572) 5.112 14.009 ( -2.449 0.000 1.428) 2.835 14.086 ( 2.904 0.000 -0.316) 2.921 14.356 ( -9.809 0.000 1.713) 9.958 14.441 ( -5.967 0.000 -0.696) 6.008 14.465 ( 2.495 0.000 0.133) 2.499 14.653 ( 3.466 0.000 -1.886) 3.946 14.662 ( -0.670 0.000 0.087) 0.675 14.726 ( 5.253 0.000 0.808) 5.315 14.771 ( -0.330 0.000 -2.001) 2.028 14.779 ( -2.707 0.000 0.814) 2.826 14.974 ( 5.535 0.000 3.360) 6.475 ======================= Grid point 2 (3/69) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 21.697 0.000 9.979) 23.882 1.364 ( 29.979 0.000 14.710) 33.393 2.101 ( 40.086 0.000 21.737) 45.600 2.144 ( 15.159 0.000 3.707) 15.606 2.370 ( 6.206 0.000 7.236) 9.533 2.417 ( 7.358 0.000 0.617) 7.384 2.495 ( 11.287 0.000 1.620) 11.403 2.506 ( 2.635 0.000 -2.600) 3.702 2.571 ( 9.110 0.000 0.408) 9.119 2.586 ( 8.241 0.000 6.769) 10.665 2.719 ( 9.321 0.000 -18.908) 21.080 2.841 ( 9.135 0.000 -15.540) 18.026 3.022 ( 4.119 0.000 -7.032) 8.150 3.089 ( 5.993 0.000 -6.878) 9.122 3.092 ( 4.885 0.000 7.573) 9.012 3.131 ( -3.851 0.000 7.504) 8.434 3.160 ( -2.867 0.000 5.172) 5.913 3.199 ( 5.394 0.000 -5.683) 7.835 3.275 ( -3.361 0.000 -12.069) 12.528 3.309 ( -2.131 0.000 3.802) 4.358 3.482 ( -0.478 0.000 4.873) 4.896 3.493 ( -2.001 0.000 -2.803) 3.444 3.568 ( -5.100 0.000 2.329) 5.607 3.625 ( -4.137 0.000 1.022) 4.261 3.637 ( 2.882 0.000 3.982) 4.916 3.660 ( -1.956 0.000 -1.112) 2.250 3.705 ( -2.072 0.000 3.609) 4.161 3.719 ( -2.696 0.000 -0.170) 2.701 3.806 ( -0.907 0.000 2.984) 3.119 3.861 ( -1.343 0.000 2.308) 2.670 3.882 ( 3.649 0.000 -3.297) 4.918 3.947 ( -3.420 0.000 1.380) 3.688 3.997 ( -2.760 0.000 -2.249) 3.560 4.004 ( 4.638 0.000 0.590) 4.675 4.011 ( -0.902 0.000 -1.350) 1.623 4.084 ( 2.133 0.000 -3.229) 3.870 4.105 ( -6.558 0.000 0.560) 6.582 4.135 ( 0.271 0.000 5.197) 5.204 4.163 ( -3.942 0.000 -0.503) 3.974 4.188 ( 7.904 0.000 -9.909) 12.675 4.284 ( -1.924 0.000 -1.752) 2.603 4.402 ( -0.332 0.000 1.216) 1.260 4.419 ( -5.637 0.000 3.861) 6.832 4.425 ( 0.437 0.000 4.114) 4.137 4.451 ( -4.794 0.000 0.330) 4.805 4.470 ( -7.844 0.000 -5.802) 9.756 4.509 ( -1.871 0.000 3.355) 3.841 4.597 ( -4.566 0.000 1.851) 4.927 4.610 ( -0.742 0.000 -1.253) 1.456 4.653 ( -3.590 0.000 -3.378) 4.929 4.730 ( -1.975 0.000 -2.802) 3.428 4.745 ( 2.610 0.000 -3.642) 4.481 4.752 ( 1.705 0.000 -0.511) 1.780 4.832 ( -1.717 0.000 1.111) 2.045 4.843 ( -1.869 0.000 -0.769) 2.021 4.875 ( -2.671 0.000 0.418) 2.704 4.916 ( 2.434 0.000 2.413) 3.427 4.934 ( -1.166 0.000 0.549) 1.289 4.967 ( -1.187 0.000 0.754) 1.406 5.064 ( 1.959 0.000 -2.555) 3.219 5.109 ( 2.385 0.000 -1.467) 2.800 5.133 ( 0.641 0.000 -1.748) 1.862 5.199 ( -0.313 0.000 1.057) 1.103 5.238 ( 0.193 0.000 -2.105) 2.114 5.259 ( -1.095 0.000 0.139) 1.104 5.279 ( -0.310 0.000 2.780) 2.797 5.368 ( 0.345 0.000 3.836) 3.852 5.394 ( 0.458 0.000 -0.949) 1.053 5.507 ( -3.007 0.000 -0.952) 3.154 5.547 ( -0.035 0.000 0.616) 0.617 5.554 ( 0.154 0.000 3.077) 3.080 5.627 ( 0.260 0.000 -0.778) 0.820 5.959 ( 5.590 0.000 1.430) 5.770 6.037 ( 1.898 0.000 -0.020) 1.898 6.099 ( 2.619 0.000 -1.257) 2.905 6.139 ( 0.812 0.000 -1.560) 1.759 6.430 ( -3.272 0.000 -1.725) 3.699 6.478 ( -2.270 0.000 -0.881) 2.435 6.515 ( -2.047 0.000 -1.708) 2.666 6.657 ( -4.802 0.000 2.624) 5.472 6.740 ( -3.286 0.000 3.547) 4.835 6.930 ( -4.853 0.000 1.228) 5.006 6.970 ( 2.723 0.000 -0.442) 2.758 7.154 ( 1.221 0.000 -1.810) 2.183 7.260 ( -2.153 0.000 -1.962) 2.913 7.313 ( -2.686 0.000 -1.661) 3.158 7.427 ( 1.433 0.000 0.164) 1.442 7.517 ( -0.294 0.000 1.136) 1.173 7.525 ( -1.181 0.000 -0.889) 1.478 7.580 ( 1.858 0.000 3.662) 4.106 7.623 ( 5.065 0.000 0.627) 5.104 7.728 ( -6.659 0.000 -0.701) 6.695 7.769 ( 7.340 0.000 -1.277) 7.450 7.842 ( 1.265 0.000 1.083) 1.665 8.083 ( -2.112 0.000 0.841) 2.273 8.143 ( -1.905 0.000 -0.125) 1.909 8.167 ( -1.085 0.000 -1.954) 2.235 8.203 ( -3.236 0.000 -1.242) 3.466 8.277 ( -7.528 0.000 0.909) 7.583 8.284 ( -2.457 0.000 -1.156) 2.715 8.400 ( -6.745 0.000 -2.613) 7.234 8.438 ( -0.689 0.000 -0.092) 0.696 8.503 ( -3.754 0.000 1.250) 3.957 8.588 ( 1.564 0.000 -3.780) 4.091 8.648 ( -2.752 0.000 -0.020) 2.752 8.744 ( -1.295 0.000 1.374) 1.888 8.838 ( 3.059 0.000 1.188) 3.282 8.924 ( -3.554 0.000 -0.410) 3.578 8.926 ( 2.684 0.000 4.388) 5.144 8.958 ( -5.589 0.000 -0.652) 5.627 8.971 ( -4.703 0.000 -0.614) 4.743 9.083 ( -5.972 0.000 -1.466) 6.149 9.133 ( -7.596 0.000 1.644) 7.772 9.209 ( -0.170 0.000 1.273) 1.284 9.332 ( -2.275 0.000 7.809) 8.134 9.419 ( -1.894 0.000 1.698) 2.543 9.457 ( 7.853 0.000 -3.338) 8.533 9.515 ( 0.909 0.000 0.353) 0.975 9.571 ( 1.565 0.000 -10.034) 10.155 9.677 ( -0.612 0.000 3.145) 3.204 9.758 ( 3.987 0.000 -0.413) 4.009 9.824 ( -1.789 0.000 -1.598) 2.399 9.943 ( 0.100 0.000 -0.839) 0.845 10.119 ( 3.211 0.000 -0.063) 3.212 10.127 ( -0.557 0.000 0.008) 0.557 10.186 ( 6.511 0.000 -0.481) 6.529 10.327 ( -1.411 0.000 -2.370) 2.758 10.390 ( 3.006 0.000 0.732) 3.093 10.478 ( 14.656 0.000 2.659) 14.895 10.538 ( 1.831 0.000 4.922) 5.252 10.566 ( 3.779 0.000 -1.813) 4.191 10.582 ( 6.679 0.000 -3.634) 7.603 10.638 ( -1.647 0.000 1.533) 2.250 10.786 ( -0.331 0.000 -3.626) 3.641 10.830 ( -2.718 0.000 1.819) 3.270 10.865 ( 3.139 0.000 -2.172) 3.817 11.016 ( -0.367 0.000 1.816) 1.853 11.024 ( -0.587 0.000 -2.224) 2.300 11.127 ( 0.062 0.000 0.452) 0.456 11.163 ( 6.949 0.000 -5.207) 8.684 11.179 ( 4.926 0.000 -2.781) 5.657 11.279 ( -0.522 0.000 -1.535) 1.621 11.282 ( 3.428 0.000 1.328) 3.677 11.361 ( 4.839 0.000 1.226) 4.992 11.750 ( -3.555 0.000 2.816) 4.535 11.775 ( -5.316 0.000 3.092) 6.150 11.787 ( 2.255 0.000 1.443) 2.677 11.823 ( 1.899 0.000 0.567) 1.982 11.881 ( 3.785 0.000 -1.197) 3.969 11.886 ( 1.497 0.000 -0.793) 1.694 12.125 ( 0.671 0.000 2.717) 2.798 12.159 ( -2.981 0.000 1.329) 3.264 12.203 ( -1.718 0.000 -0.283) 1.741 12.270 ( 0.737 0.000 0.694) 1.012 12.290 ( -1.125 0.000 4.768) 4.899 12.295 ( -4.143 0.000 -1.112) 4.289 12.339 ( -3.460 0.000 2.951) 4.548 12.431 ( -6.378 0.000 2.800) 6.965 12.440 ( 0.919 0.000 -3.585) 3.701 12.459 ( -0.957 0.000 -3.426) 3.557 12.534 ( -2.989 0.000 -2.091) 3.648 12.559 ( -2.444 0.000 -1.750) 3.005 12.642 ( -1.508 0.000 2.734) 3.122 12.652 ( -1.256 0.000 0.540) 1.367 12.791 ( 1.209 0.000 0.700) 1.397 12.833 ( 5.242 0.000 -0.899) 5.319 12.846 ( -1.154 0.000 0.584) 1.294 12.921 ( -0.211 0.000 -0.061) 0.220 12.973 ( 1.385 0.000 1.824) 2.290 13.077 ( 4.582 0.000 -2.258) 5.108 13.191 ( -4.462 0.000 0.250) 4.469 13.241 ( 2.661 0.000 2.426) 3.601 13.252 ( 0.993 0.000 2.163) 2.380 13.270 ( 2.408 0.000 -4.252) 4.887 13.430 ( 1.703 0.000 -1.421) 2.218 13.564 ( -2.191 0.000 -6.973) 7.309 13.608 ( -4.978 0.000 8.254) 9.639 13.699 ( -2.472 0.000 1.359) 2.821 13.705 ( 2.178 0.000 -7.818) 8.116 13.860 ( -3.930 0.000 -0.022) 3.930 13.871 ( -1.581 0.000 3.927) 4.233 13.980 ( -1.590 0.000 -0.149) 1.597 14.123 ( -6.937 0.000 0.961) 7.003 14.183 ( -0.929 0.000 -1.472) 1.740 14.362 ( -4.952 0.000 3.493) 6.060 14.515 ( 1.650 0.000 0.789) 1.829 14.661 ( 1.027 0.000 0.465) 1.128 14.685 ( 0.978 0.000 -2.981) 3.137 14.736 ( 0.452 0.000 -4.075) 4.100 14.770 ( -0.060 0.000 1.998) 1.999 14.808 ( 3.247 0.000 1.009) 3.400 15.090 ( 4.508 0.000 2.827) 5.322 ======================= Grid point 3 (4/69) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 15.618 0.000 6.655) 16.977 1.975 ( 26.229 0.000 12.099) 28.885 2.347 ( 6.495 0.000 -1.552) 6.678 2.409 ( -1.022 0.000 4.251) 4.372 2.573 ( 4.661 0.000 1.260) 4.829 2.656 ( 13.026 0.000 6.149) 14.404 2.657 ( 12.265 0.000 2.916) 12.607 2.720 ( 10.232 0.000 -6.763) 12.265 2.722 ( 9.398 0.000 -11.012) 14.477 2.798 ( 8.800 0.000 4.963) 10.103 2.887 ( 7.026 0.000 -6.957) 9.888 2.998 ( 27.770 0.000 12.973) 30.651 3.048 ( 5.791 0.000 -5.397) 7.916 3.075 ( -8.321 0.000 5.328) 9.881 3.091 ( 2.233 0.000 -8.892) 9.168 3.141 ( 4.284 0.000 -8.507) 9.525 3.195 ( 1.352 0.000 4.512) 4.710 3.249 ( 3.548 0.000 5.429) 6.486 3.266 ( 7.605 0.000 -2.569) 8.027 3.330 ( 1.556 0.000 1.849) 2.416 3.445 ( -2.281 0.000 0.314) 2.302 3.480 ( -11.569 0.000 1.014) 11.614 3.491 ( -2.733 0.000 0.529) 2.784 3.530 ( -1.559 0.000 3.299) 3.649 3.593 ( -6.257 0.000 -0.105) 6.258 3.624 ( -4.082 0.000 -1.014) 4.206 3.679 ( -3.628 0.000 1.323) 3.862 3.683 ( -2.731 0.000 1.991) 3.379 3.747 ( -5.018 0.000 1.171) 5.153 3.859 ( 0.641 0.000 2.823) 2.895 3.871 ( -6.107 0.000 -6.568) 8.969 3.876 ( -7.002 0.000 -1.946) 7.267 3.966 ( 2.729 0.000 0.961) 2.893 3.996 ( -4.766 0.000 -1.587) 5.024 4.011 ( 5.527 0.000 -1.466) 5.718 4.105 ( 0.396 0.000 4.051) 4.071 4.125 ( 4.569 0.000 0.812) 4.641 4.165 ( 4.725 0.000 -0.629) 4.767 4.168 ( 0.448 0.000 1.692) 1.750 4.251 ( 0.775 0.000 -1.714) 1.881 4.277 ( -5.791 0.000 -4.064) 7.075 4.287 ( 3.841 0.000 -3.975) 5.528 4.386 ( -3.545 0.000 3.681) 5.110 4.402 ( 2.621 0.000 -2.613) 3.701 4.416 ( 2.818 0.000 1.774) 3.329 4.489 ( -0.133 0.000 1.294) 1.301 4.511 ( -5.835 0.000 -1.144) 5.946 4.534 ( 2.322 0.000 4.427) 4.999 4.548 ( -4.498 0.000 -0.446) 4.520 4.600 ( 1.045 0.000 -0.189) 1.062 4.640 ( -4.595 0.000 -5.730) 7.344 4.728 ( -3.535 0.000 -0.928) 3.655 4.745 ( -4.331 0.000 1.835) 4.704 4.792 ( -1.135 0.000 -0.940) 1.474 4.822 ( 1.233 0.000 -1.530) 1.965 4.830 ( -2.573 0.000 2.963) 3.924 4.951 ( 1.586 0.000 2.297) 2.791 4.959 ( -1.263 0.000 2.049) 2.407 4.965 ( 2.192 0.000 -5.288) 5.725 5.062 ( 0.243 0.000 -3.753) 3.760 5.092 ( -3.323 0.000 -1.739) 3.751 5.122 ( -1.422 0.000 -0.414) 1.481 5.187 ( -3.930 0.000 -1.980) 4.401 5.201 ( 0.409 0.000 -1.228) 1.294 5.221 ( 1.263 0.000 -0.003) 1.263 5.298 ( -1.160 0.000 3.117) 3.326 5.385 ( -1.190 0.000 2.096) 2.411 5.397 ( 0.286 0.000 -0.613) 0.676 5.472 ( 0.038 0.000 -0.948) 0.949 5.550 ( -0.326 0.000 0.558) 0.646 5.582 ( -0.086 0.000 2.509) 2.511 5.649 ( 1.702 0.000 0.803) 1.882 6.066 ( 4.907 0.000 1.497) 5.130 6.098 ( 4.566 0.000 1.144) 4.707 6.123 ( 1.536 0.000 -1.004) 1.835 6.158 ( 2.297 0.000 -1.039) 2.521 6.355 ( -3.527 0.000 -1.759) 3.942 6.416 ( -3.731 0.000 -1.500) 4.021 6.478 ( -0.530 0.000 -1.475) 1.567 6.601 ( -4.311 0.000 2.775) 5.127 6.697 ( -4.151 0.000 2.011) 4.613 6.856 ( -4.390 0.000 1.087) 4.522 6.989 ( 0.451 0.000 -1.378) 1.450 7.178 ( 2.762 0.000 -0.761) 2.865 7.202 ( -2.090 0.000 -1.900) 2.825 7.252 ( -1.781 0.000 -2.607) 3.157 7.454 ( -4.415 0.000 -0.874) 4.501 7.460 ( 1.651 0.000 0.936) 1.898 7.513 ( -1.134 0.000 1.444) 1.835 7.613 ( -3.993 0.000 -0.704) 4.055 7.688 ( 4.265 0.000 3.633) 5.603 7.716 ( 2.796 0.000 1.868) 3.363 7.887 ( 6.669 0.000 -2.133) 7.002 7.927 ( 5.527 0.000 2.864) 6.225 7.997 ( -5.784 0.000 0.618) 5.817 8.116 ( -1.814 0.000 1.288) 2.224 8.141 ( 0.731 0.000 -2.056) 2.182 8.157 ( 0.324 0.000 -2.078) 2.103 8.211 ( -3.780 0.000 -0.327) 3.794 8.254 ( -0.430 0.000 -1.001) 1.089 8.283 ( -2.852 0.000 1.012) 3.026 8.430 ( -0.075 0.000 -2.620) 2.622 8.473 ( -0.287 0.000 2.323) 2.341 8.591 ( -4.688 0.000 0.892) 4.772 8.604 ( 1.089 0.000 -0.888) 1.405 8.742 ( -1.459 0.000 2.636) 3.013 8.792 ( -12.216 0.000 -4.146) 12.901 8.795 ( -6.528 0.000 -1.636) 6.730 8.823 ( -4.904 0.000 -0.681) 4.951 8.926 ( -1.923 0.000 -0.891) 2.119 8.964 ( 2.330 0.000 1.497) 2.769 9.036 ( 1.813 0.000 6.101) 6.365 9.143 ( 2.427 0.000 -0.302) 2.445 9.220 ( -0.438 0.000 1.148) 1.229 9.334 ( -4.711 0.000 7.900) 9.198 9.409 ( -0.640 0.000 3.354) 3.415 9.507 ( 3.074 0.000 -8.762) 9.286 9.520 ( 3.249 0.000 -7.102) 7.810 9.599 ( 5.248 0.000 -0.121) 5.250 9.654 ( -1.455 0.000 -1.956) 2.437 9.772 ( -3.715 0.000 -0.011) 3.715 9.792 ( -0.143 0.000 2.665) 2.669 9.922 ( 0.709 0.000 -1.981) 2.104 10.120 ( -0.920 0.000 -1.649) 1.888 10.125 ( -1.027 0.000 0.706) 1.246 10.238 ( 2.582 0.000 -3.089) 4.026 10.334 ( 1.741 0.000 0.651) 1.859 10.447 ( 2.498 0.000 -0.624) 2.575 10.544 ( -2.731 0.000 -2.062) 3.422 10.552 ( -2.421 0.000 0.920) 2.590 10.625 ( -2.219 0.000 1.274) 2.559 10.648 ( 2.089 0.000 2.733) 3.440 10.788 ( 9.055 0.000 3.356) 9.657 10.798 ( 3.099 0.000 1.920) 3.646 10.875 ( 7.067 0.000 -6.041) 9.297 10.886 ( 7.093 0.000 0.183) 7.096 11.015 ( -0.465 0.000 0.248) 0.527 11.035 ( 2.010 0.000 0.468) 2.064 11.112 ( -1.748 0.000 0.443) 1.803 11.224 ( 1.713 0.000 -4.093) 4.437 11.229 ( 4.474 0.000 -4.277) 6.189 11.253 ( 3.774 0.000 -3.376) 5.064 11.384 ( 5.437 0.000 1.403) 5.615 11.474 ( 4.216 0.000 1.900) 4.624 11.721 ( -3.460 0.000 4.651) 5.797 11.726 ( -0.751 0.000 3.112) 3.201 11.835 ( 2.055 0.000 0.217) 2.066 11.857 ( 3.223 0.000 -3.159) 4.513 11.913 ( 2.057 0.000 0.466) 2.109 11.929 ( 1.478 0.000 2.070) 2.543 12.118 ( -4.408 0.000 0.572) 4.445 12.127 ( -2.706 0.000 0.471) 2.746 12.186 ( -6.230 0.000 1.889) 6.510 12.186 ( -0.359 0.000 2.025) 2.057 12.244 ( -5.434 0.000 -0.258) 5.440 12.287 ( -1.280 0.000 -0.725) 1.472 12.308 ( -2.832 0.000 4.082) 4.968 12.334 ( -4.986 0.000 0.456) 5.007 12.451 ( 0.082 0.000 -1.555) 1.557 12.461 ( 1.983 0.000 -4.239) 4.680 12.491 ( -0.721 0.000 -2.874) 2.963 12.509 ( 4.003 0.000 0.299) 4.014 12.636 ( -2.386 0.000 2.768) 3.654 12.655 ( -0.850 0.000 1.487) 1.712 12.814 ( 1.025 0.000 0.451) 1.119 12.837 ( -0.275 0.000 1.707) 1.729 12.880 ( -0.656 0.000 0.498) 0.824 12.927 ( 0.416 0.000 1.724) 1.773 13.005 ( 3.008 0.000 -2.213) 3.734 13.105 ( -4.430 0.000 -0.423) 4.451 13.133 ( 3.249 0.000 -3.427) 4.722 13.258 ( 2.718 0.000 -5.847) 6.448 13.280 ( 0.616 0.000 -0.278) 0.675 13.288 ( 2.623 0.000 -2.256) 3.459 13.415 ( -7.051 0.000 4.889) 8.581 13.481 ( 2.096 0.000 -6.089) 6.439 13.552 ( -6.988 0.000 4.124) 8.114 13.703 ( 0.138 0.000 3.579) 3.582 13.705 ( 2.000 0.000 -2.058) 2.870 13.829 ( -1.757 0.000 2.450) 3.015 13.864 ( -2.214 0.000 1.754) 2.825 13.934 ( -9.367 0.000 0.272) 9.371 13.952 ( -0.549 0.000 -1.715) 1.801 14.237 ( 4.602 0.000 -3.244) 5.631 14.352 ( -1.763 0.000 8.506) 8.686 14.514 ( -1.719 0.000 0.297) 1.744 14.614 ( -4.023 0.000 -4.297) 5.887 14.717 ( 4.050 0.000 0.549) 4.087 14.721 ( 1.711 0.000 -5.941) 6.182 14.797 ( 0.561 0.000 2.431) 2.495 14.866 ( 2.028 0.000 1.740) 2.672 15.174 ( 2.775 0.000 1.863) 3.342 ======================= Grid point 4 (5/69) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 5.414 0.000 1.891) 5.734 2.328 ( 2.234 0.000 1.220) 2.545 2.438 ( 4.208 0.000 1.445) 4.449 2.544 ( 15.171 0.000 5.451) 16.120 2.632 ( -0.764 0.000 5.850) 5.900 2.706 ( 6.192 0.000 -7.344) 9.606 2.777 ( 4.982 0.000 -9.835) 11.025 2.866 ( -2.391 0.000 -2.330) 3.338 2.902 ( 3.139 0.000 2.899) 4.273 2.932 ( -0.560 0.000 2.149) 2.221 2.945 ( 6.196 0.000 3.482) 7.108 2.979 ( 2.698 0.000 0.401) 2.727 3.071 ( 0.295 0.000 -1.510) 1.538 3.117 ( 4.906 0.000 -4.352) 6.558 3.145 ( 5.649 0.000 -1.397) 5.819 3.234 ( -4.995 0.000 1.503) 5.217 3.245 ( -5.819 0.000 4.892) 7.602 3.310 ( -0.239 0.000 2.122) 2.136 3.359 ( -0.801 0.000 -0.720) 1.077 3.361 ( 4.625 0.000 -4.735) 6.618 3.390 ( 1.764 0.000 0.295) 1.788 3.442 ( 1.807 0.000 1.703) 2.483 3.496 ( -2.108 0.000 0.202) 2.118 3.506 ( -4.958 0.000 1.239) 5.111 3.558 ( 0.592 0.000 1.909) 1.999 3.613 ( -2.984 0.000 0.535) 3.031 3.636 ( -11.881 0.000 -5.202) 12.970 3.658 ( -1.481 0.000 1.352) 2.005 3.663 ( 11.661 0.000 7.639) 13.940 3.730 ( 2.737 0.000 0.933) 2.892 3.749 ( -4.250 0.000 -2.568) 4.965 3.897 ( -1.391 0.000 -2.439) 2.808 3.961 ( 3.827 0.000 4.042) 5.566 4.012 ( 1.791 0.000 -0.850) 1.982 4.121 ( 7.411 0.000 -1.986) 7.673 4.125 ( 0.309 0.000 0.416) 0.518 4.160 ( -0.160 0.000 0.186) 0.246 4.171 ( -1.266 0.000 -0.941) 1.578 4.188 ( -0.182 0.000 -0.205) 0.275 4.199 ( -1.224 0.000 2.525) 2.806 4.256 ( -3.002 0.000 -0.111) 3.004 4.284 ( -2.352 0.000 -2.343) 3.320 4.343 ( -4.926 0.000 2.488) 5.519 4.410 ( -3.805 0.000 -1.874) 4.241 4.461 ( 6.021 0.000 -3.407) 6.918 4.483 ( -0.623 0.000 2.121) 2.211 4.495 ( -3.452 0.000 -3.366) 4.821 4.506 ( 5.940 0.000 -3.096) 6.698 4.548 ( 6.146 0.000 -2.293) 6.560 4.614 ( 0.889 0.000 3.486) 3.597 4.639 ( 1.335 0.000 0.783) 1.547 4.645 ( -6.802 0.000 3.230) 7.531 4.662 ( -5.260 0.000 0.977) 5.350 4.775 ( -0.126 0.000 -1.141) 1.148 4.825 ( -2.003 0.000 4.353) 4.792 4.859 ( 3.798 0.000 -0.291) 3.809 4.925 ( -0.957 0.000 -2.659) 2.826 4.941 ( 0.066 0.000 -2.551) 2.552 4.985 ( -2.286 0.000 1.155) 2.561 5.010 ( -0.620 0.000 -3.359) 3.416 5.024 ( -2.710 0.000 0.157) 2.714 5.053 ( -3.185 0.000 0.072) 3.186 5.146 ( 0.003 0.000 -0.845) 0.845 5.211 ( 1.204 0.000 -0.958) 1.538 5.244 ( 0.639 0.000 0.032) 0.640 5.327 ( 1.754 0.000 2.357) 2.938 5.375 ( -1.009 0.000 0.774) 1.272 5.382 ( -1.488 0.000 -0.715) 1.651 5.472 ( 0.334 0.000 -0.610) 0.696 5.549 ( -0.119 0.000 0.186) 0.220 5.594 ( -0.132 0.000 0.904) 0.914 5.680 ( 0.774 0.000 0.527) 0.936 6.147 ( 1.814 0.000 -0.253) 1.832 6.157 ( 3.826 0.000 1.355) 4.059 6.172 ( -0.223 0.000 -0.512) 0.559 6.194 ( 4.052 0.000 1.663) 4.380 6.284 ( -2.443 0.000 -1.349) 2.791 6.326 ( -4.511 0.000 -1.876) 4.886 6.480 ( 2.000 0.000 -1.140) 2.302 6.549 ( -3.825 0.000 1.652) 4.167 6.653 ( -1.727 0.000 0.686) 1.859 6.808 ( -1.701 0.000 0.463) 1.763 6.976 ( -0.293 0.000 -0.902) 0.949 7.165 ( -0.745 0.000 -0.666) 0.999 7.206 ( -0.032 0.000 -1.384) 1.384 7.240 ( 2.739 0.000 0.433) 2.773 7.367 ( -4.220 0.000 -0.646) 4.269 7.494 ( 1.095 0.000 0.796) 1.354 7.507 ( -0.457 0.000 0.519) 0.691 7.563 ( -1.461 0.000 -0.479) 1.537 7.758 ( 0.639 0.000 0.940) 1.137 7.764 ( 1.579 0.000 1.486) 2.168 7.907 ( -0.672 0.000 1.359) 1.516 7.975 ( 0.543 0.000 -3.232) 3.278 8.024 ( 1.992 0.000 1.335) 2.398 8.130 ( -0.064 0.000 -0.484) 0.488 8.131 ( 4.406 0.000 -4.586) 6.360 8.147 ( -2.009 0.000 5.878) 6.212 8.187 ( 0.610 0.000 -0.721) 0.945 8.238 ( -0.403 0.000 -1.023) 1.100 8.320 ( 3.079 0.000 4.746) 5.657 8.423 ( 2.087 0.000 -1.144) 2.380 8.490 ( -4.615 0.000 2.047) 5.048 8.507 ( -0.149 0.000 -1.087) 1.097 8.542 ( -9.899 0.000 -4.481) 10.866 8.597 ( -0.746 0.000 -0.480) 0.887 8.699 ( -2.196 0.000 -1.104) 2.458 8.757 ( -0.363 0.000 2.378) 2.405 8.770 ( -1.072 0.000 -0.025) 1.073 8.881 ( -1.429 0.000 -1.348) 1.964 9.042 ( 4.535 0.000 0.238) 4.541 9.094 ( -0.496 0.000 3.215) 3.253 9.141 ( -2.183 0.000 -0.805) 2.327 9.216 ( -0.422 0.000 0.286) 0.510 9.378 ( 2.141 0.000 8.259) 8.532 9.431 ( 0.139 0.000 1.052) 1.061 9.455 ( -2.927 0.000 -1.677) 3.373 9.482 ( 0.611 0.000 -7.210) 7.236 9.667 ( 4.372 0.000 -5.590) 7.096 9.681 ( 5.642 0.000 -3.555) 6.668 9.704 ( -5.258 0.000 4.942) 7.216 9.780 ( -3.315 0.000 2.487) 4.144 9.950 ( 2.342 0.000 -0.392) 2.375 10.094 ( -0.182 0.000 -1.054) 1.069 10.109 ( -1.086 0.000 0.373) 1.148 10.248 ( 0.822 0.000 -1.225) 1.475 10.342 ( -0.726 0.000 -0.232) 0.762 10.466 ( 0.671 0.000 -0.634) 0.923 10.484 ( -1.667 0.000 -1.042) 1.966 10.525 ( 0.424 0.000 -1.595) 1.650 10.568 ( -4.215 0.000 1.991) 4.662 10.662 ( -0.465 0.000 -0.286) 0.546 10.880 ( 2.434 0.000 2.164) 3.256 10.890 ( 3.377 0.000 3.035) 4.540 10.968 ( 1.257 0.000 -0.275) 1.286 10.985 ( 3.112 0.000 -2.975) 4.306 11.030 ( 1.785 0.000 0.393) 1.828 11.056 ( -0.426 0.000 1.263) 1.333 11.115 ( 1.530 0.000 0.091) 1.533 11.183 ( -1.415 0.000 -1.318) 1.933 11.279 ( 5.989 0.000 -4.421) 7.444 11.335 ( 7.605 0.000 -5.168) 9.195 11.421 ( -3.486 0.000 3.143) 4.694 11.479 ( -5.417 0.000 4.436) 7.002 11.794 ( 8.003 0.000 1.894) 8.224 11.802 ( 5.406 0.000 -0.834) 5.470 11.866 ( 2.461 0.000 1.027) 2.666 11.874 ( 0.463 0.000 -0.458) 0.651 11.956 ( -1.170 0.000 0.900) 1.476 11.969 ( -0.449 0.000 0.156) 0.475 12.034 ( -1.503 0.000 0.804) 1.704 12.041 ( -4.632 0.000 2.470) 5.249 12.116 ( -5.082 0.000 -1.854) 5.410 12.126 ( -5.859 0.000 -1.711) 6.104 12.207 ( -1.649 0.000 -0.745) 1.810 12.222 ( 0.437 0.000 1.979) 2.027 12.278 ( -1.655 0.000 0.016) 1.655 12.316 ( 0.126 0.000 0.045) 0.134 12.399 ( -2.439 0.000 0.225) 2.450 12.510 ( 5.359 0.000 -0.958) 5.444 12.529 ( 4.939 0.000 -2.834) 5.695 12.569 ( -0.468 0.000 1.977) 2.031 12.602 ( -3.836 0.000 2.346) 4.496 12.636 ( -0.682 0.000 -0.900) 1.129 12.832 ( 0.481 0.000 0.333) 0.585 12.837 ( -2.606 0.000 0.333) 2.627 12.858 ( 0.324 0.000 0.785) 0.850 12.954 ( 0.675 0.000 0.962) 1.176 13.035 ( 2.898 0.000 -3.412) 4.477 13.052 ( -2.223 0.000 1.470) 2.665 13.130 ( -0.203 0.000 -0.577) 0.612 13.237 ( -0.057 0.000 -4.083) 4.083 13.298 ( 2.039 0.000 -4.255) 4.719 13.317 ( 4.336 0.000 -1.723) 4.666 13.335 ( -4.852 0.000 3.924) 6.240 13.474 ( -4.985 0.000 2.614) 5.629 13.491 ( 0.792 0.000 -0.223) 0.823 13.708 ( 0.261 0.000 -0.797) 0.839 13.752 ( 1.486 0.000 3.413) 3.722 13.761 ( -4.780 0.000 1.335) 4.963 13.825 ( -1.979 0.000 -1.723) 2.624 13.899 ( 0.992 0.000 0.668) 1.196 13.936 ( -0.092 0.000 -0.576) 0.584 14.293 ( 3.346 0.000 0.265) 3.356 14.407 ( -0.441 0.000 4.965) 4.984 14.487 ( -1.041 0.000 0.029) 1.042 14.505 ( -3.078 0.000 -3.798) 4.889 14.692 ( 0.229 0.000 -3.261) 3.269 14.778 ( 2.131 0.000 -0.114) 2.134 14.820 ( 0.020 0.000 1.392) 1.392 14.902 ( 0.752 0.000 0.716) 1.038 15.218 ( 0.932 0.000 0.652) 1.137 ======================= Grid point 9 (6/69) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 0.000 28.913 0.000) 28.913 0.625 ( 0.000 35.067 0.000) 35.067 1.030 ( 0.000 56.302 0.000) 56.302 1.475 ( 0.000 -23.196 0.000) 23.196 1.807 ( 0.000 -30.666 0.000) 30.666 2.245 ( 0.000 5.904 0.000) 5.904 2.361 ( 0.000 13.391 0.000) 13.391 2.389 ( 0.000 -4.004 0.000) 4.004 2.522 ( 0.000 1.684 0.000) 1.684 2.725 ( 0.000 10.777 0.000) 10.777 2.768 ( 0.000 -25.096 0.000) 25.096 2.831 ( 0.000 12.074 0.000) 12.074 2.925 ( 0.000 -2.150 0.000) 2.150 2.947 ( 0.000 -13.753 0.000) 13.753 2.979 ( 0.000 2.028 0.000) 2.028 3.057 ( 0.000 -3.416 0.000) 3.416 3.088 ( 0.000 5.384 0.000) 5.384 3.176 ( 0.000 -4.365 0.000) 4.365 3.180 ( 0.000 1.156 0.000) 1.156 3.298 ( 0.000 3.058 0.000) 3.058 3.400 ( 0.000 -10.691 0.000) 10.691 3.510 ( 0.000 -7.023 0.000) 7.023 3.538 ( 0.000 5.754 0.000) 5.754 3.608 ( 0.000 -0.497 0.000) 0.497 3.658 ( 0.000 -0.284 0.000) 0.284 3.660 ( 0.000 -0.472 0.000) 0.472 3.744 ( 0.000 0.219 0.000) 0.219 3.779 ( 0.000 -0.111 0.000) 0.111 3.798 ( 0.000 -2.263 0.000) 2.263 3.870 ( 0.000 0.762 0.000) 0.762 3.900 ( 0.000 -2.065 0.000) 2.065 3.957 ( 0.000 2.811 0.000) 2.811 3.983 ( 0.000 1.931 0.000) 1.931 3.990 ( 0.000 -5.935 0.000) 5.935 4.116 ( 0.000 2.013 0.000) 2.013 4.132 ( 0.000 4.042 0.000) 4.042 4.165 ( 0.000 -0.285 0.000) 0.285 4.243 ( 0.000 -1.912 0.000) 1.912 4.243 ( 0.000 -0.637 0.000) 0.637 4.288 ( 0.000 0.443 0.000) 0.443 4.373 ( 0.000 -0.533 0.000) 0.533 4.384 ( 0.000 -0.452 0.000) 0.452 4.410 ( 0.000 -0.637 0.000) 0.637 4.462 ( 0.000 8.881 0.000) 8.881 4.497 ( 0.000 0.237 0.000) 0.237 4.625 ( 0.000 0.403 0.000) 0.403 4.642 ( 0.000 2.510 0.000) 2.510 4.671 ( 0.000 -0.531 0.000) 0.531 4.691 ( 0.000 0.812 0.000) 0.812 4.691 ( 0.000 -2.787 0.000) 2.787 4.745 ( 0.000 -2.038 0.000) 2.038 4.766 ( 0.000 4.666 0.000) 4.666 4.816 ( 0.000 4.847 0.000) 4.847 4.836 ( 0.000 -4.086 0.000) 4.086 4.881 ( 0.000 -1.690 0.000) 1.690 4.899 ( 0.000 3.095 0.000) 3.095 4.928 ( 0.000 -1.361 0.000) 1.361 4.976 ( 0.000 1.499 0.000) 1.499 4.990 ( 0.000 -2.426 0.000) 2.426 5.073 ( 0.000 -3.694 0.000) 3.694 5.116 ( 0.000 2.702 0.000) 2.702 5.119 ( 0.000 3.521 0.000) 3.521 5.132 ( 0.000 -0.058 0.000) 0.058 5.157 ( 0.000 -1.088 0.000) 1.088 5.244 ( 0.000 5.057 0.000) 5.057 5.262 ( 0.000 -1.081 0.000) 1.081 5.341 ( 0.000 -3.367 0.000) 3.367 5.346 ( 0.000 0.427 0.000) 0.427 5.501 ( 0.000 -2.467 0.000) 2.467 5.506 ( 0.000 -3.432 0.000) 3.432 5.632 ( 0.000 1.802 0.000) 1.802 5.663 ( 0.000 -0.055 0.000) 0.055 5.861 ( 0.000 3.322 0.000) 3.322 5.997 ( 0.000 -2.718 0.000) 2.718 6.073 ( 0.000 1.613 0.000) 1.613 6.136 ( 0.000 -1.134 0.000) 1.134 6.516 ( 0.000 -0.485 0.000) 0.485 6.516 ( 0.000 -0.334 0.000) 0.334 6.747 ( 0.000 2.429 0.000) 2.429 6.753 ( 0.000 0.915 0.000) 0.915 6.830 ( 0.000 -1.932 0.000) 1.932 6.890 ( 0.000 -3.918 0.000) 3.918 7.057 ( 0.000 4.343 0.000) 4.343 7.200 ( 0.000 -2.732 0.000) 2.732 7.202 ( 0.000 1.060 0.000) 1.060 7.275 ( 0.000 -2.664 0.000) 2.664 7.432 ( 0.000 1.669 0.000) 1.669 7.514 ( 0.000 -2.462 0.000) 2.462 7.552 ( 0.000 3.114 0.000) 3.114 7.579 ( 0.000 1.694 0.000) 1.694 7.621 ( 0.000 -1.351 0.000) 1.351 7.641 ( 0.000 -0.111 0.000) 0.111 7.810 ( 0.000 2.776 0.000) 2.776 7.900 ( 0.000 -1.332 0.000) 1.332 8.109 ( 0.000 2.184 0.000) 2.184 8.219 ( 0.000 -2.671 0.000) 2.671 8.290 ( 0.000 0.640 0.000) 0.640 8.314 ( 0.000 -0.625 0.000) 0.625 8.425 ( 0.000 -0.077 0.000) 0.077 8.472 ( 0.000 -1.526 0.000) 1.526 8.515 ( 0.000 1.277 0.000) 1.277 8.527 ( 0.000 -1.684 0.000) 1.684 8.578 ( 0.000 -0.571 0.000) 0.571 8.616 ( 0.000 -0.996 0.000) 0.996 8.759 ( 0.000 0.809 0.000) 0.809 8.771 ( 0.000 1.110 0.000) 1.110 8.805 ( 0.000 3.047 0.000) 3.047 8.848 ( 0.000 -0.318 0.000) 0.318 8.972 ( 0.000 -1.523 0.000) 1.523 8.984 ( 0.000 -0.785 0.000) 0.785 9.096 ( 0.000 3.623 0.000) 3.623 9.108 ( 0.000 1.163 0.000) 1.163 9.138 ( 0.000 1.802 0.000) 1.802 9.180 ( 0.000 0.122 0.000) 0.122 9.198 ( 0.000 -3.733 0.000) 3.733 9.304 ( 0.000 -2.632 0.000) 2.632 9.410 ( 0.000 -0.849 0.000) 0.849 9.451 ( 0.000 -1.282 0.000) 1.282 9.563 ( 0.000 4.400 0.000) 4.400 9.677 ( 0.000 -1.973 0.000) 1.973 9.719 ( 0.000 0.295 0.000) 0.295 9.722 ( 0.000 0.318 0.000) 0.318 9.903 ( 0.000 0.895 0.000) 0.895 9.905 ( 0.000 0.465 0.000) 0.465 9.946 ( 0.000 -0.148 0.000) 0.148 9.995 ( 0.000 -1.713 0.000) 1.713 10.210 ( 0.000 1.681 0.000) 1.681 10.294 ( 0.000 -2.286 0.000) 2.286 10.456 ( 0.000 0.697 0.000) 0.697 10.457 ( 0.000 0.392 0.000) 0.392 10.512 ( 0.000 2.209 0.000) 2.209 10.593 ( 0.000 -1.364 0.000) 1.364 10.691 ( 0.000 0.358 0.000) 0.358 10.749 ( 0.000 -3.096 0.000) 3.096 10.864 ( 0.000 1.001 0.000) 1.001 10.928 ( 0.000 -1.222 0.000) 1.222 10.932 ( 0.000 1.213 0.000) 1.213 11.024 ( 0.000 0.048 0.000) 0.048 11.051 ( 0.000 1.533 0.000) 1.533 11.109 ( 0.000 -2.189 0.000) 2.189 11.139 ( 0.000 1.336 0.000) 1.336 11.218 ( 0.000 -1.860 0.000) 1.860 11.277 ( 0.000 0.880 0.000) 0.880 11.278 ( 0.000 0.872 0.000) 0.872 11.724 ( 0.000 0.244 0.000) 0.244 11.741 ( 0.000 -0.654 0.000) 0.654 11.792 ( 0.000 0.950 0.000) 0.950 11.817 ( 0.000 -0.289 0.000) 0.289 11.826 ( 0.000 0.584 0.000) 0.584 11.874 ( 0.000 -1.819 0.000) 1.819 12.055 ( 0.000 0.348 0.000) 0.348 12.092 ( 0.000 -1.541 0.000) 1.541 12.223 ( 0.000 1.438 0.000) 1.438 12.246 ( 0.000 3.551 0.000) 3.551 12.312 ( 0.000 -0.951 0.000) 0.951 12.416 ( 0.000 3.250 0.000) 3.250 12.438 ( 0.000 -3.092 0.000) 3.092 12.506 ( 0.000 -0.540 0.000) 0.540 12.583 ( 0.000 0.161 0.000) 0.161 12.604 ( 0.000 2.183 0.000) 2.183 12.649 ( 0.000 -2.198 0.000) 2.198 12.668 ( 0.000 -0.103 0.000) 0.103 12.676 ( 0.000 -0.533 0.000) 0.533 12.715 ( 0.000 -0.726 0.000) 0.726 12.741 ( 0.000 0.827 0.000) 0.827 12.792 ( 0.000 2.341 0.000) 2.341 12.799 ( 0.000 -2.017 0.000) 2.017 12.849 ( 0.000 -1.056 0.000) 1.056 12.870 ( 0.000 2.438 0.000) 2.438 13.020 ( 0.000 -5.523 0.000) 5.523 13.135 ( 0.000 0.762 0.000) 0.762 13.232 ( 0.000 -3.765 0.000) 3.765 13.266 ( 0.000 5.378 0.000) 5.378 13.420 ( 0.000 -0.321 0.000) 0.321 13.449 ( 0.000 5.710 0.000) 5.710 13.610 ( 0.000 -3.965 0.000) 3.965 13.633 ( 0.000 -0.198 0.000) 0.198 13.729 ( 0.000 -5.190 0.000) 5.190 13.834 ( 0.000 4.641 0.000) 4.641 13.861 ( 0.000 3.152 0.000) 3.152 13.981 ( 0.000 -2.562 0.000) 2.562 14.022 ( 0.000 -2.928 0.000) 2.928 14.112 ( 0.000 5.610 0.000) 5.610 14.343 ( 0.000 -5.561 0.000) 5.561 14.498 ( 0.000 3.429 0.000) 3.429 14.574 ( 0.000 0.020 0.000) 0.020 14.597 ( 0.000 -2.380 0.000) 2.380 14.610 ( 0.000 -1.619 0.000) 1.619 14.719 ( 0.000 2.839 0.000) 2.839 14.767 ( 0.000 1.887 0.000) 1.887 14.779 ( 0.000 -0.387 0.000) 0.387 14.848 ( 0.000 -1.617 0.000) 1.617 ======================= Grid point 10 (7/69) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 20.764 23.840 9.542) 33.023 0.929 ( 23.012 23.008 11.893) 34.647 1.407 ( 32.366 32.913 16.213) 48.925 1.640 ( 14.801 -18.327 5.878) 24.279 1.913 ( 9.600 -28.047 4.286) 29.952 2.312 ( 5.055 5.078 2.208) 7.498 2.362 ( 1.793 4.945 0.441) 5.278 2.412 ( 2.280 0.441 -1.226) 2.626 2.534 ( 2.956 1.990 -3.408) 4.931 2.709 ( 5.771 0.826 -10.853) 12.320 2.826 ( 3.869 12.690 -5.860) 14.503 2.854 ( 5.814 -2.364 -3.490) 7.181 2.946 ( 1.126 1.016 6.163) 6.347 2.990 ( 5.098 -5.265 -6.836) 10.022 3.009 ( 1.792 -1.264 0.481) 2.245 3.018 ( 8.368 -17.912 -4.376) 20.249 3.139 ( 1.584 -1.917 -2.871) 3.798 3.170 ( -2.668 5.098 13.010) 14.225 3.257 ( 2.841 0.084 -2.849) 4.024 3.314 ( 2.144 1.162 2.874) 3.769 3.415 ( 0.112 -6.790 0.661) 6.823 3.487 ( -0.827 -4.640 -3.170) 5.680 3.525 ( -2.540 0.753 2.779) 3.840 3.595 ( -2.980 -2.535 1.631) 4.239 3.639 ( -3.612 0.598 2.240) 4.292 3.664 ( -0.458 -1.442 1.977) 2.490 3.702 ( -2.626 -0.858 1.492) 3.139 3.740 ( -0.555 1.790 -0.880) 2.070 3.795 ( -1.467 -3.509 0.171) 3.807 3.847 ( -2.309 1.194 -1.515) 3.009 3.917 ( 0.632 -1.107 -1.446) 1.928 3.946 ( -1.208 -1.590 -0.274) 2.015 3.972 ( -2.027 -0.252 0.968) 2.261 4.005 ( -0.241 -4.209 1.953) 4.647 4.068 ( -2.946 2.442 -3.175) 4.972 4.108 ( -0.396 2.188 -0.578) 2.297 4.135 ( -1.414 1.952 -1.224) 2.704 4.196 ( -2.123 1.475 -1.604) 3.042 4.229 ( -0.220 -1.704 -3.223) 3.652 4.286 ( -2.289 -0.841 -2.698) 3.637 4.345 ( 1.402 5.824 -1.164) 6.102 4.368 ( -3.104 -1.373 0.280) 3.406 4.427 ( -1.374 -2.970 3.642) 4.896 4.470 ( 1.045 8.404 -0.107) 8.469 4.503 ( 1.185 2.210 1.724) 3.043 4.585 ( -4.479 0.967 -0.937) 4.677 4.641 ( -4.467 0.257 -0.559) 4.509 4.647 ( -0.026 -2.218 -1.408) 2.628 4.660 ( -1.673 0.215 -3.460) 3.849 4.680 ( -1.032 -0.947 -1.735) 2.230 4.728 ( 0.209 0.236 -0.975) 1.025 4.746 ( -1.653 2.467 -1.352) 3.263 4.781 ( -0.158 2.368 0.478) 2.421 4.819 ( -1.986 -1.991 -0.242) 2.823 4.854 ( -2.909 -1.576 3.029) 4.486 4.894 ( 0.105 2.549 -1.788) 3.115 4.915 ( -0.747 -0.410 1.640) 1.848 4.981 ( -0.625 2.812 1.058) 3.069 5.003 ( -0.466 -2.332 0.127) 2.382 5.094 ( 0.066 1.701 1.519) 2.281 5.107 ( 0.737 1.255 -1.129) 1.842 5.113 ( 0.164 -0.368 0.368) 0.545 5.144 ( 1.572 2.308 -0.618) 2.860 5.196 ( 2.020 -2.207 2.391) 3.830 5.267 ( 0.701 -1.417 -1.797) 2.393 5.280 ( 1.776 3.431 1.742) 4.238 5.317 ( 1.013 -0.307 1.610) 1.927 5.381 ( 0.768 -0.521 1.021) 1.380 5.501 ( -0.679 -3.210 0.642) 3.344 5.506 ( 0.386 -2.457 0.861) 2.632 5.605 ( -2.391 1.835 -0.920) 3.152 5.645 ( -1.491 -0.455 -1.089) 1.902 5.891 ( 3.063 2.686 0.582) 4.115 6.002 ( 0.770 -2.307 -0.382) 2.462 6.082 ( 1.519 1.494 -0.746) 2.258 6.137 ( 0.544 -0.872 -1.043) 1.465 6.490 ( -2.014 -0.079 -0.876) 2.197 6.503 ( -0.892 -0.673 -1.296) 1.711 6.643 ( -6.207 4.326 -3.266) 8.240 6.715 ( -4.811 0.072 1.890) 5.169 6.782 ( -3.840 1.525 2.103) 4.636 6.852 ( -0.114 -3.877 -0.432) 3.903 7.062 ( 0.484 5.777 1.503) 5.989 7.183 ( -0.725 1.335 -1.367) 2.044 7.250 ( 1.454 -4.030 1.768) 4.635 7.303 ( 1.781 -3.611 -1.003) 4.149 7.419 ( -0.509 1.720 -2.005) 2.690 7.477 ( -0.128 0.231 -0.407) 0.485 7.540 ( -0.563 1.853 0.215) 1.948 7.581 ( 1.002 0.154 -2.334) 2.545 7.611 ( -2.379 0.612 0.820) 2.590 7.647 ( 3.098 -1.590 0.743) 3.560 7.806 ( 0.030 3.006 0.488) 3.046 7.884 ( -1.996 -0.753 -0.682) 2.240 8.111 ( -0.026 2.224 0.087) 2.226 8.201 ( -1.205 0.291 -1.147) 1.689 8.228 ( -2.561 0.320 0.209) 2.589 8.265 ( -6.064 0.550 -2.223) 6.482 8.325 ( -3.396 -0.577 -2.148) 4.060 8.411 ( -4.788 -2.698 0.356) 5.508 8.475 ( -3.126 1.084 0.278) 3.320 8.494 ( -3.240 0.856 1.021) 3.503 8.560 ( -3.184 0.799 1.907) 3.796 8.635 ( 0.139 -2.182 1.849) 2.864 8.744 ( -2.643 5.207 -7.346) 9.384 8.788 ( 1.253 0.466 0.397) 1.395 8.815 ( -4.132 0.743 -4.332) 6.033 8.838 ( -0.218 0.713 1.258) 1.462 8.936 ( 0.240 1.482 2.018) 2.516 9.030 ( -0.951 -0.222 1.143) 1.504 9.083 ( -2.307 -1.838 -3.081) 4.265 9.123 ( -4.921 -2.090 9.118) 10.570 9.147 ( -1.723 -2.091 1.468) 3.082 9.231 ( -0.693 -1.881 1.209) 2.341 9.291 ( 6.417 0.355 2.076) 6.753 9.355 ( -2.591 -1.038 1.692) 3.264 9.446 ( 0.775 -1.511 0.298) 1.724 9.460 ( 8.499 -5.925 1.454) 10.462 9.587 ( -0.290 3.744 3.517) 5.145 9.694 ( 0.374 1.267 -4.080) 4.289 9.704 ( 1.360 0.549 -3.232) 3.549 9.786 ( 3.114 -5.831 3.977) 7.715 9.908 ( 3.954 1.500 0.558) 4.266 9.957 ( 8.907 -0.411 -2.315) 9.212 10.053 ( 4.217 -2.135 1.156) 4.866 10.101 ( 9.978 -3.610 3.050) 11.041 10.215 ( 1.802 1.081 0.867) 2.273 10.306 ( -0.205 -3.451 1.555) 3.791 10.426 ( 2.623 2.174 -6.133) 7.016 10.475 ( 2.289 0.535 -3.104) 3.894 10.505 ( 0.207 0.365 -3.484) 3.509 10.552 ( 0.483 -1.057 -1.035) 1.556 10.683 ( -1.453 1.560 0.979) 2.346 10.774 ( 1.041 -2.660 0.208) 2.864 10.845 ( -1.223 0.761 -0.465) 1.513 10.882 ( -3.652 -1.334 2.005) 4.375 10.964 ( 1.444 0.684 1.491) 2.185 11.068 ( 3.689 -2.048 -1.983) 4.662 11.096 ( 2.341 1.687 0.721) 2.974 11.128 ( 2.191 0.253 -3.481) 4.121 11.138 ( 2.229 2.218 -0.542) 3.191 11.244 ( 2.028 -2.104 0.392) 2.948 11.264 ( -0.457 0.840 0.123) 0.964 11.297 ( 0.903 -1.164 1.974) 2.463 11.745 ( 1.803 0.513 0.725) 2.010 11.766 ( 1.113 -0.174 2.709) 2.934 11.788 ( -1.462 0.626 1.825) 2.421 11.817 ( -1.215 -0.437 1.382) 1.891 11.840 ( 2.885 -0.248 -3.146) 4.276 11.865 ( -0.289 -1.404 -0.461) 1.506 12.081 ( 1.470 0.261 2.309) 2.750 12.127 ( 1.815 -2.769 2.229) 3.991 12.207 ( -1.252 0.930 0.282) 1.585 12.272 ( -0.056 4.280 0.612) 4.324 12.279 ( -1.494 -2.382 0.248) 2.823 12.391 ( -0.949 2.625 -1.535) 3.185 12.422 ( -3.126 -0.706 2.361) 3.981 12.504 ( -1.513 -1.244 0.516) 2.026 12.521 ( -7.974 5.565 2.433) 10.024 12.576 ( -2.486 0.566 0.326) 2.570 12.580 ( -4.162 2.228 -5.752) 7.441 12.608 ( -3.122 -1.247 -0.626) 3.419 12.644 ( -2.156 -0.477 -2.048) 3.012 12.695 ( -1.510 -2.248 -0.865) 2.843 12.756 ( 3.644 1.348 -1.034) 4.021 12.772 ( 0.368 0.960 1.446) 1.774 12.855 ( 1.635 0.049 -0.393) 1.682 12.894 ( 4.496 -0.946 0.526) 4.624 12.904 ( 1.883 0.723 1.644) 2.603 13.030 ( 0.762 -4.400 -0.964) 4.569 13.135 ( -0.312 -0.049 1.755) 1.783 13.201 ( -0.134 -1.861 -0.946) 2.092 13.262 ( -1.834 3.897 3.220) 5.378 13.375 ( -0.229 5.147 -2.981) 5.953 13.468 ( 0.530 5.015 1.137) 5.169 13.565 ( -2.774 -1.900 -0.535) 3.404 13.645 ( 1.683 -0.788 -4.331) 4.713 13.700 ( -2.500 -3.662 1.689) 4.745 13.799 ( 1.615 4.394 -8.523) 9.724 13.855 ( -2.564 2.557 6.471) 7.416 13.944 ( -1.910 -2.690 -4.082) 5.248 14.042 ( 2.043 -4.335 0.787) 4.856 14.062 ( -5.652 6.116 2.768) 8.776 14.296 ( -7.776 -5.427 2.192) 9.733 14.471 ( -5.119 3.278 -0.449) 6.095 14.508 ( 1.300 3.401 -0.077) 3.642 14.612 ( 2.011 -2.432 -0.477) 3.192 14.644 ( 0.850 -5.738 -0.100) 5.802 14.711 ( -0.284 2.600 -0.737) 2.718 14.766 ( -0.684 -0.565 -1.570) 1.804 14.831 ( 3.508 3.374 1.262) 5.028 14.942 ( 6.355 -2.743 3.139) 7.601 ======================= Grid point 11 (8/69) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 18.220 23.620 8.758) 31.090 1.488 ( 26.827 13.246 13.292) 32.739 2.021 ( 20.509 -12.972 9.024) 25.890 2.161 ( 26.373 -1.050 11.538) 28.806 2.192 ( 18.539 -14.246 10.760) 25.737 2.376 ( 3.728 0.693 -0.091) 3.793 2.425 ( 2.857 1.997 0.943) 3.611 2.489 ( 6.862 -1.031 -1.157) 7.035 2.601 ( 10.200 3.830 -2.140) 11.103 2.748 ( 10.049 7.023 -11.360) 16.714 2.817 ( 6.381 5.491 -11.664) 14.384 2.956 ( 7.231 10.882 -3.775) 13.600 3.010 ( 6.762 -1.026 -8.548) 10.947 3.044 ( 5.355 -2.345 -5.736) 8.190 3.056 ( 3.638 -1.152 3.776) 5.369 3.142 ( -0.117 -2.598 0.960) 2.772 3.179 ( 4.179 -6.446 1.652) 7.858 3.233 ( -1.185 5.977 9.960) 11.677 3.294 ( 5.079 -0.006 -3.011) 5.905 3.322 ( 0.610 2.598 -4.695) 5.400 3.418 ( 2.059 -4.653 5.142) 7.234 3.476 ( 0.037 -4.508 -0.740) 4.568 3.513 ( -0.798 -5.038 2.893) 5.864 3.529 ( -6.423 -1.433 2.911) 7.196 3.576 ( -4.273 -2.571 0.966) 5.080 3.651 ( -3.132 -1.898 2.800) 4.610 3.698 ( -3.560 -1.917 2.435) 4.720 3.743 ( -2.390 -3.750 -0.087) 4.448 3.768 ( -0.257 2.198 1.565) 2.711 3.825 ( -0.814 -2.578 3.040) 4.068 3.873 ( -6.305 -4.804 -0.187) 7.929 3.903 ( -0.951 -2.312 -2.181) 3.317 3.943 ( -0.857 -2.685 0.000) 2.819 3.962 ( -1.169 -0.984 0.804) 1.727 4.012 ( -2.153 0.844 -4.731) 5.266 4.079 ( -3.456 0.079 1.165) 3.647 4.109 ( -2.916 -0.979 -1.424) 3.390 4.159 ( 0.961 3.545 -0.626) 3.726 4.209 ( 2.210 -1.339 -4.169) 4.904 4.240 ( -2.504 -0.365 2.608) 3.634 4.330 ( 2.207 0.632 -4.931) 5.439 4.351 ( -1.748 5.727 1.272) 6.121 4.419 ( -2.095 -2.382 1.126) 3.366 4.459 ( -3.678 3.980 -3.109) 6.248 4.498 ( -3.086 0.359 0.606) 3.166 4.506 ( -0.602 5.038 -1.227) 5.220 4.535 ( -3.253 3.680 -4.212) 6.470 4.594 ( -2.693 1.710 4.052) 5.157 4.634 ( -0.696 -0.950 -0.749) 1.396 4.668 ( -0.510 -2.207 -2.399) 3.300 4.709 ( -0.881 -0.184 -2.411) 2.573 4.731 ( -1.060 -0.637 -0.102) 1.241 4.733 ( -1.219 -0.646 -2.718) 3.048 4.795 ( -1.333 -0.443 -0.409) 1.463 4.868 ( 0.071 0.708 1.461) 1.625 4.899 ( 0.894 0.091 0.999) 1.344 4.907 ( -1.942 0.661 0.796) 2.200 4.952 ( -0.959 1.791 -1.102) 2.311 4.985 ( -1.169 1.645 1.141) 2.318 5.092 ( -0.042 1.151 -0.218) 1.173 5.109 ( -0.003 2.091 -0.175) 2.099 5.150 ( 0.282 -1.249 1.101) 1.689 5.178 ( 3.014 0.514 -0.560) 3.108 5.213 ( -1.952 -2.614 -1.133) 3.454 5.250 ( -1.112 -1.303 1.367) 2.192 5.303 ( -0.670 2.314 0.938) 2.585 5.356 ( 0.029 -1.879 0.847) 2.062 5.411 ( 1.986 2.391 1.567) 3.481 5.493 ( -0.514 -2.045 0.274) 2.127 5.533 ( -0.232 -0.422 1.661) 1.729 5.558 ( -0.897 0.057 0.334) 0.959 5.611 ( -0.456 -1.627 -1.147) 2.042 5.971 ( 4.960 1.208 1.044) 5.210 6.024 ( 2.336 -1.279 -0.026) 2.663 6.111 ( 2.460 1.117 -0.986) 2.876 6.139 ( 1.040 -0.106 -1.318) 1.683 6.435 ( -3.066 0.578 -1.436) 3.435 6.469 ( -2.181 -0.877 -0.868) 2.506 6.544 ( -2.982 2.938 -1.664) 4.505 6.646 ( -4.668 -1.416 1.934) 5.247 6.745 ( -3.584 0.632 2.904) 4.656 6.837 ( -2.178 -5.312 0.894) 5.810 7.068 ( -0.867 5.882 0.181) 5.948 7.176 ( 1.102 2.052 -0.628) 2.412 7.258 ( -1.214 -1.692 -0.944) 2.286 7.279 ( -1.792 -1.769 -3.437) 4.261 7.419 ( 1.576 -0.466 -0.162) 1.651 7.507 ( 3.147 -3.354 0.621) 4.641 7.523 ( -2.234 0.244 1.109) 2.506 7.533 ( -3.398 -1.197 -0.823) 3.695 7.660 ( 4.836 2.256 2.364) 5.836 7.717 ( 1.404 -1.078 0.655) 1.888 7.800 ( 0.955 2.561 -1.076) 2.937 7.849 ( 0.728 0.350 0.435) 0.917 8.103 ( -1.956 1.943 0.374) 2.783 8.149 ( -2.054 0.930 -0.230) 2.266 8.164 ( -2.400 -1.294 -2.086) 3.433 8.228 ( -2.885 2.745 0.180) 3.986 8.244 ( -2.351 -2.374 -0.427) 3.368 8.289 ( -6.396 0.157 -0.689) 6.434 8.421 ( -5.238 1.524 -2.533) 6.014 8.450 ( -0.879 0.802 0.324) 1.234 8.519 ( -3.040 1.797 1.729) 3.931 8.609 ( -1.189 2.313 -4.220) 4.957 8.626 ( -1.944 -2.122 -0.111) 2.880 8.728 ( -2.025 -1.905 -0.250) 2.791 8.847 ( 1.453 1.273 1.881) 2.697 8.911 ( -0.368 -1.339 2.476) 2.839 8.936 ( -3.061 0.005 0.927) 3.199 8.960 ( -4.124 2.340 -1.474) 4.966 9.011 ( -0.960 2.538 -0.271) 2.727 9.054 ( -8.423 -3.034 -0.872) 8.995 9.106 ( -5.447 -2.210 3.015) 6.606 9.168 ( -0.847 -3.391 3.321) 4.821 9.344 ( -0.946 0.875 2.896) 3.170 9.419 ( -1.181 -2.032 2.317) 3.300 9.449 ( 4.119 2.107 -0.618) 4.668 9.550 ( 3.794 -2.431 -8.400) 9.532 9.585 ( 2.009 5.778 -2.206) 6.503 9.685 ( -1.123 1.043 2.309) 2.772 9.731 ( 2.604 -1.771 -0.729) 3.232 9.819 ( 0.174 -1.723 1.847) 2.532 9.950 ( 0.011 0.856 -1.149) 1.433 10.056 ( 1.207 -5.462 -0.570) 5.623 10.142 ( 4.154 2.354 -0.246) 4.781 10.216 ( 3.366 1.009 0.218) 3.520 10.321 ( 1.051 -0.439 -0.660) 1.316 10.397 ( 6.110 -2.860 -2.950) 7.363 10.421 ( 9.770 -0.598 3.639) 10.443 10.511 ( 5.821 -2.170 0.236) 6.217 10.559 ( 5.257 0.616 1.299) 5.450 10.597 ( 3.282 -0.322 -1.634) 3.680 10.662 ( -1.075 2.328 1.684) 3.067 10.775 ( 0.746 -3.189 -0.892) 3.394 10.801 ( -2.264 0.501 -0.565) 2.387 10.862 ( 0.200 -1.573 -2.444) 2.913 10.997 ( 1.521 1.449 0.389) 2.136 11.092 ( -1.383 2.350 -0.200) 2.734 11.101 ( 1.500 -1.236 -1.193) 2.281 11.161 ( 4.557 -0.524 -3.872) 6.003 11.194 ( 4.741 1.610 -2.258) 5.492 11.263 ( 1.080 -1.368 -1.098) 2.060 11.302 ( 3.538 1.639 1.114) 4.055 11.354 ( 4.764 -0.800 1.215) 4.981 11.752 ( -4.025 0.251 3.592) 5.400 11.769 ( -4.199 -0.425 2.507) 4.909 11.800 ( 1.683 1.007 2.348) 3.059 11.826 ( 1.830 0.118 1.312) 2.255 11.873 ( 2.356 -0.899 -1.838) 3.121 11.878 ( 3.196 -0.577 -1.675) 3.654 12.126 ( 0.954 0.157 2.037) 2.255 12.151 ( -1.253 -0.114 1.237) 1.764 12.199 ( -0.906 -1.746 1.632) 2.556 12.231 ( -1.486 -0.421 1.797) 2.370 12.286 ( -2.649 0.966 -0.109) 2.822 12.350 ( -6.273 1.724 0.882) 6.565 12.387 ( -1.824 1.989 1.069) 2.903 12.411 ( -3.781 1.644 1.103) 4.268 12.453 ( -1.754 -0.369 -3.055) 3.542 12.475 ( -2.419 1.237 -1.048) 2.912 12.530 ( -2.803 -0.279 -1.864) 3.378 12.557 ( -1.875 -0.419 -1.859) 2.674 12.627 ( -0.955 -0.587 2.679) 2.904 12.654 ( -1.142 -0.534 0.201) 1.276 12.793 ( 1.115 0.264 0.847) 1.425 12.826 ( 1.640 -1.115 -0.033) 1.984 12.861 ( 0.363 2.179 0.086) 2.211 12.914 ( 1.093 0.525 -0.749) 1.425 12.987 ( 3.451 -0.043 1.161) 3.641 13.037 ( 1.460 -4.611 -1.740) 5.140 13.153 ( 0.646 0.347 0.870) 1.138 13.229 ( 2.309 -1.881 0.648) 3.048 13.268 ( -0.828 2.060 3.632) 4.257 13.342 ( 0.754 3.033 -6.781) 7.467 13.472 ( 0.935 2.953 -4.583) 5.532 13.530 ( -4.985 0.632 8.391) 9.781 13.575 ( -3.187 -3.014 -5.891) 7.345 13.700 ( -0.368 -1.343 1.678) 2.181 13.769 ( 1.339 3.908 -3.876) 5.665 13.849 ( -4.052 1.470 0.857) 4.395 13.883 ( -0.182 -0.379 -0.821) 0.923 13.989 ( -4.102 2.285 1.487) 4.925 14.093 ( -4.036 -3.899 3.160) 6.440 14.142 ( -3.824 -3.924 -0.033) 5.479 14.401 ( -3.965 4.475 1.237) 6.105 14.548 ( 1.771 3.123 0.893) 3.700 14.632 ( 0.879 -4.688 -2.217) 5.260 14.662 ( 0.366 -4.859 2.913) 5.677 14.700 ( 0.164 1.156 -2.344) 2.618 14.733 ( 0.386 -0.473 -3.047) 3.108 14.906 ( 3.400 5.855 1.477) 6.930 15.065 ( 4.660 -2.759 2.687) 6.045 ======================= Grid point 12 (9/69) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 13.395 19.956 5.998) 24.772 2.050 ( 24.576 8.219 11.326) 28.281 2.365 ( 3.144 -0.893 -0.487) 3.305 2.427 ( 10.426 -2.316 6.140) 12.319 2.490 ( 11.503 -8.612 2.784) 14.637 2.507 ( 11.401 -11.792 6.579) 17.672 2.581 ( 6.182 -2.783 1.003) 6.853 2.605 ( 9.466 -7.851 -3.786) 12.868 2.762 ( 9.497 5.794 -6.023) 12.651 2.831 ( 8.122 3.647 -10.435) 13.717 2.991 ( 5.312 0.394 -6.503) 8.406 3.033 ( 5.503 2.265 0.237) 5.956 3.052 ( 6.416 0.068 -8.548) 10.688 3.086 ( 0.104 1.391 -0.516) 1.487 3.134 ( 13.018 4.918 7.834) 15.970 3.148 ( 0.217 4.384 3.031) 5.334 3.239 ( 5.722 2.409 -2.024) 6.530 3.271 ( 1.481 2.146 -0.232) 2.618 3.329 ( 1.862 7.285 5.114) 9.093 3.355 ( -0.550 1.982 0.127) 2.061 3.451 ( -6.077 -2.462 2.000) 6.855 3.467 ( 3.057 0.384 -2.620) 4.045 3.474 ( -6.685 0.474 7.227) 9.856 3.520 ( -0.410 -2.439 1.030) 2.680 3.557 ( -1.677 -5.829 0.215) 6.069 3.598 ( -3.197 1.832 1.865) 4.130 3.652 ( -6.086 -6.427 0.344) 8.858 3.712 ( 0.737 -4.173 1.868) 4.631 3.725 ( -5.458 2.448 1.618) 6.196 3.772 ( -4.973 -5.879 0.977) 7.762 3.823 ( 2.848 -2.742 0.403) 3.975 3.868 ( -1.355 -1.415 -1.800) 2.660 3.904 ( -0.145 -2.320 -3.915) 4.553 3.952 ( -4.161 -3.321 0.566) 5.354 3.975 ( -0.854 -3.067 0.143) 3.187 4.043 ( 2.230 -4.764 2.742) 5.932 4.124 ( 4.650 -1.183 2.734) 5.522 4.179 ( 0.056 1.706 -0.186) 1.717 4.202 ( -0.920 -0.085 -0.567) 1.083 4.262 ( -1.181 0.826 5.111) 5.310 4.277 ( -2.897 -0.009 -3.025) 4.189 4.320 ( -3.874 0.076 -1.732) 4.244 4.355 ( 3.505 3.669 -4.706) 6.920 4.414 ( 1.027 1.172 -7.547) 7.706 4.457 ( -0.726 -0.001 1.320) 1.507 4.499 ( -2.209 2.468 0.819) 3.412 4.500 ( 0.708 0.602 -1.787) 2.014 4.567 ( -3.163 1.547 -0.483) 3.554 4.600 ( -0.878 3.208 0.737) 3.407 4.645 ( 0.598 -0.192 -4.444) 4.488 4.661 ( -2.423 3.681 -0.442) 4.429 4.684 ( -1.262 -1.714 -1.314) 2.501 4.725 ( -2.053 -2.158 0.538) 3.027 4.774 ( -1.199 -0.356 2.683) 2.960 4.840 ( -3.656 4.047 -0.428) 5.471 4.879 ( -0.205 -0.399 -0.710) 0.840 4.924 ( 1.395 -1.582 -0.712) 2.226 4.945 ( 1.090 0.486 -0.667) 1.367 5.006 ( -0.190 1.678 2.603) 3.103 5.062 ( -3.127 2.665 -3.232) 5.227 5.084 ( -2.136 -0.067 -0.934) 2.332 5.121 ( -3.676 -1.305 -0.081) 3.901 5.169 ( -1.309 -2.886 0.305) 3.184 5.202 ( 0.142 1.196 -0.106) 1.209 5.228 ( -0.737 -1.478 0.066) 1.653 5.300 ( -0.034 0.788 -0.050) 0.791 5.363 ( 0.423 -0.693 0.030) 0.812 5.429 ( -1.446 1.902 1.446) 2.793 5.497 ( 1.036 2.684 0.033) 2.878 5.533 ( 0.331 -1.078 0.353) 1.182 5.567 ( -0.663 -1.595 2.061) 2.689 5.628 ( 1.910 -2.354 0.682) 3.108 6.068 ( 4.821 0.205 1.233) 4.980 6.087 ( 4.366 -0.840 0.733) 4.506 6.137 ( 1.623 1.147 -0.569) 2.067 6.159 ( 2.039 0.026 -0.819) 2.197 6.362 ( -3.649 0.808 -1.646) 4.084 6.405 ( -3.882 -1.096 -1.528) 4.313 6.503 ( -0.642 2.585 -1.078) 2.873 6.593 ( -3.544 -1.117 2.205) 4.321 6.699 ( -3.969 0.511 1.856) 4.412 6.796 ( -3.113 -4.696 0.990) 5.721 7.046 ( -0.776 4.490 -1.421) 4.773 7.197 ( 1.004 0.823 -0.531) 1.402 7.207 ( -2.368 -1.962 -1.600) 3.466 7.219 ( -0.628 0.229 -3.118) 3.188 7.451 ( -3.492 -0.154 -0.396) 3.517 7.461 ( 1.240 -0.028 1.309) 1.803 7.496 ( -1.498 -1.098 0.827) 2.033 7.575 ( 1.441 -4.463 1.071) 4.810 7.691 ( -1.032 2.546 1.383) 3.076 7.745 ( 1.491 0.784 2.306) 2.856 7.891 ( 7.404 0.511 -1.612) 7.595 7.928 ( 6.750 -0.529 1.723) 6.987 8.024 ( -5.121 2.838 -0.067) 5.855 8.118 ( -1.730 -1.303 1.440) 2.601 8.134 ( -2.681 1.441 -1.177) 3.263 8.166 ( 0.489 0.308 -2.252) 2.325 8.217 ( -1.258 0.315 -0.901) 1.579 8.249 ( 0.164 -1.379 2.883) 3.200 8.315 ( -3.657 4.509 -1.394) 5.970 8.440 ( -0.596 0.382 -1.495) 1.654 8.489 ( -1.459 1.822 2.096) 3.137 8.566 ( -3.788 -1.967 0.404) 4.287 8.617 ( 1.844 0.647 -1.617) 2.536 8.696 ( -3.614 -3.752 -0.032) 5.210 8.765 ( -6.555 -1.139 -2.104) 6.978 8.802 ( -9.442 -0.770 -2.097) 9.703 8.853 ( -5.004 2.070 -0.651) 5.454 8.909 ( -2.094 -1.060 0.203) 2.356 8.998 ( 2.143 3.329 1.632) 4.283 9.051 ( 0.235 1.442 5.117) 5.321 9.111 ( 2.093 -3.007 0.390) 3.684 9.179 ( -1.333 -4.006 2.568) 4.942 9.342 ( -2.774 1.179 4.823) 5.688 9.415 ( -1.286 -0.498 4.367) 4.580 9.500 ( 3.871 -0.142 -5.655) 6.855 9.519 ( 3.570 0.018 -8.630) 9.339 9.630 ( 3.892 2.337 -2.283) 5.082 9.645 ( -0.781 -0.272 -2.262) 2.408 9.783 ( -1.304 0.979 3.008) 3.421 9.800 ( -2.586 0.617 1.759) 3.188 9.924 ( 0.532 0.684 -2.205) 2.369 10.061 ( -0.448 -4.959 -0.457) 5.000 10.169 ( 0.616 3.373 -0.805) 3.522 10.251 ( 2.090 0.706 -1.399) 2.612 10.333 ( 1.363 0.269 -0.788) 1.598 10.429 ( 2.043 -2.768 -2.391) 4.189 10.547 ( 0.351 1.020 1.986) 2.260 10.554 ( -3.155 1.004 -1.010) 3.461 10.611 ( -2.957 -1.371 1.403) 3.549 10.642 ( 1.541 -1.167 2.479) 3.143 10.776 ( 7.922 -0.529 2.479) 8.318 10.803 ( 1.865 -0.418 2.307) 2.996 10.850 ( 8.905 -1.288 -2.970) 9.475 10.875 ( 7.632 -1.160 -2.029) 7.982 11.023 ( 1.147 1.300 0.107) 1.737 11.070 ( -0.945 1.530 0.227) 1.812 11.105 ( 0.211 0.197 -0.497) 0.574 11.183 ( 1.239 -2.389 -2.960) 4.000 11.258 ( 6.156 1.306 -4.752) 7.885 11.270 ( 2.059 1.180 -2.985) 3.814 11.398 ( 4.888 1.447 1.502) 5.314 11.462 ( 4.104 -1.362 1.802) 4.684 11.722 ( -2.668 0.223 4.687) 5.398 11.730 ( -0.954 0.244 3.307) 3.450 11.847 ( 1.902 1.155 -0.230) 2.237 11.867 ( 2.861 1.122 -2.270) 3.821 11.899 ( 2.487 -1.358 0.194) 2.841 11.920 ( 1.581 -1.042 1.998) 2.752 12.123 ( -4.762 0.544 1.283) 4.962 12.131 ( -0.891 0.568 -0.281) 1.093 12.173 ( -6.978 -0.851 0.305) 7.036 12.196 ( -1.464 0.118 2.110) 2.571 12.236 ( -5.184 -0.360 1.091) 5.310 12.258 ( -0.058 -2.325 2.322) 3.286 12.326 ( -5.856 2.374 -0.129) 6.321 12.361 ( -4.333 1.314 0.987) 4.634 12.457 ( 1.820 0.042 -3.510) 3.954 12.459 ( 3.414 0.006 -2.059) 3.987 12.494 ( -1.493 0.620 -2.615) 3.075 12.514 ( 2.338 0.519 -0.235) 2.406 12.630 ( -2.064 -0.504 2.973) 3.654 12.647 ( -1.416 -1.018 1.335) 2.196 12.813 ( 0.607 -0.040 0.624) 0.871 12.835 ( -0.035 -0.795 1.075) 1.338 12.865 ( -0.742 0.127 1.641) 1.805 12.930 ( 0.024 -0.449 -0.353) 0.572 13.025 ( 2.121 0.433 -1.738) 2.776 13.051 ( 1.321 -1.904 -1.033) 2.537 13.162 ( 0.766 1.809 -1.916) 2.744 13.259 ( 0.454 -2.050 -2.084) 2.959 13.289 ( 0.817 2.004 -2.555) 3.348 13.294 ( 1.544 0.620 -2.904) 3.347 13.436 ( -6.348 0.372 -0.083) 6.360 13.454 ( 0.288 -2.099 -0.200) 2.128 13.550 ( -3.603 2.236 5.817) 7.199 13.687 ( 1.875 -0.204 -5.292) 5.618 13.762 ( -2.224 2.263 1.587) 3.548 13.786 ( -2.794 -2.798 0.578) 3.996 13.884 ( -1.965 -0.514 1.391) 2.461 13.924 ( -8.611 -1.229 0.706) 8.727 13.977 ( 1.005 5.321 2.251) 5.865 14.225 ( 6.086 -4.175 0.691) 7.413 14.359 ( -2.888 3.860 3.640) 6.041 14.544 ( -2.484 2.563 0.348) 3.587 14.604 ( -2.677 -2.171 -4.241) 5.465 14.636 ( -0.526 -6.663 -3.244) 7.430 14.727 ( 3.104 0.557 1.206) 3.377 14.757 ( 2.590 -1.290 -0.004) 2.894 14.967 ( 2.148 6.851 1.273) 7.292 15.149 ( 2.777 -2.866 1.761) 4.362 ======================= Grid point 13 (10/69) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 4.462 16.853 1.536) 17.501 2.371 ( 2.458 3.457 0.792) 4.315 2.461 ( 3.295 -0.981 0.978) 3.574 2.566 ( 9.764 0.594 2.552) 10.109 2.615 ( 4.211 -0.673 5.891) 7.273 2.679 ( 7.241 -2.417 -3.336) 8.331 2.747 ( 5.935 -3.598 -1.873) 7.189 2.804 ( 10.081 -5.066 4.264) 12.061 2.852 ( 1.101 1.777 -7.143) 7.442 2.935 ( 8.370 0.258 3.851) 9.217 2.980 ( 1.422 0.475 -1.650) 2.229 3.001 ( -6.452 1.119 1.697) 6.764 3.064 ( -0.194 -0.078 -0.686) 0.718 3.100 ( 4.112 -1.730 -5.256) 6.894 3.115 ( 3.835 -2.381 -2.724) 5.273 3.226 ( -6.683 -0.901 1.653) 6.943 3.260 ( -5.598 -1.272 3.397) 6.670 3.278 ( -8.273 -3.145 -4.178) 9.787 3.332 ( 0.148 -0.740 0.503) 0.907 3.374 ( 2.341 -0.125 -0.088) 2.346 3.396 ( 0.297 0.458 -3.711) 3.751 3.423 ( -3.763 0.672 3.035) 4.881 3.495 ( 2.047 1.607 2.209) 3.414 3.541 ( 1.326 2.857 -1.439) 3.463 3.571 ( -2.661 -3.142 2.145) 4.643 3.607 ( 2.232 2.017 1.573) 3.395 3.626 ( -2.354 0.414 2.091) 3.175 3.658 ( -2.077 1.402 -0.908) 2.665 3.699 ( -3.100 -2.688 -1.671) 4.431 3.740 ( 2.492 4.654 4.983) 7.259 3.802 ( 4.020 5.015 0.544) 6.451 3.904 ( 0.416 -1.261 -0.689) 1.496 3.930 ( 1.132 -6.833 -0.135) 6.928 3.953 ( 5.082 -0.578 1.973) 5.482 4.015 ( 4.148 -3.165 -0.212) 5.222 4.119 ( 1.867 -5.008 1.526) 5.558 4.137 ( -1.499 -1.315 -0.333) 2.022 4.164 ( -1.419 -1.126 0.128) 1.817 4.166 ( -2.303 0.562 0.308) 2.390 4.239 ( -2.648 -1.155 0.112) 2.891 4.281 ( 3.656 0.329 0.046) 3.672 4.313 ( -2.370 2.565 1.829) 3.942 4.328 ( -0.693 -0.517 -1.335) 1.590 4.387 ( -5.155 -1.517 0.564) 5.403 4.462 ( -0.307 0.278 -1.370) 1.431 4.478 ( 8.673 2.631 -6.356) 11.070 4.496 ( -0.930 0.637 -1.198) 1.645 4.530 ( 2.158 -0.355 -1.929) 2.916 4.579 ( -1.600 -0.175 -2.531) 2.999 4.585 ( -2.460 3.084 0.986) 4.066 4.659 ( -0.992 0.420 0.583) 1.225 4.677 ( -2.649 1.109 1.806) 3.392 4.680 ( 0.526 1.890 0.126) 1.966 4.779 ( -2.434 0.924 0.065) 2.604 4.795 ( -0.712 -1.589 3.580) 3.981 4.852 ( -1.945 -3.423 -0.665) 3.993 4.925 ( 1.469 0.434 -3.223) 3.568 4.950 ( -3.315 -0.349 -0.460) 3.364 4.985 ( 0.906 -2.078 -0.516) 2.325 4.990 ( -1.502 3.517 -0.159) 3.828 5.049 ( -0.365 1.767 -0.321) 1.832 5.080 ( -1.821 2.859 0.491) 3.425 5.156 ( -0.341 0.615 -0.252) 0.747 5.211 ( 0.877 -0.538 0.060) 1.031 5.224 ( -0.443 -2.017 0.234) 2.078 5.304 ( 0.640 -3.303 -0.204) 3.370 5.363 ( -0.289 1.460 0.171) 1.498 5.414 ( -0.898 1.486 0.358) 1.773 5.512 ( 0.359 4.079 0.091) 4.096 5.541 ( 0.185 -0.520 0.166) 0.577 5.575 ( -0.054 -1.897 0.886) 2.095 5.660 ( 0.820 -2.282 0.459) 2.468 6.145 ( 1.653 -0.129 -0.196) 1.669 6.151 ( 2.453 -0.472 0.582) 2.565 6.180 ( 1.400 0.594 0.286) 1.548 6.193 ( 3.869 -0.112 1.504) 4.153 6.288 ( -2.840 0.466 -1.383) 3.193 6.317 ( -4.202 -0.868 -1.739) 4.630 6.499 ( 1.094 1.999 -0.843) 2.430 6.554 ( -2.733 0.060 1.285) 3.021 6.656 ( -1.754 0.688 0.600) 1.977 6.760 ( -1.365 -4.129 0.414) 4.369 7.023 ( -0.378 4.079 -0.911) 4.196 7.168 ( -0.941 -2.901 -0.404) 3.076 7.175 ( -0.353 0.290 -1.612) 1.676 7.235 ( 1.467 -0.729 0.186) 1.648 7.382 ( -2.843 1.727 -0.222) 3.334 7.480 ( -0.428 -2.596 0.437) 2.667 7.507 ( 1.262 1.499 0.840) 2.132 7.574 ( -0.770 -0.146 -0.165) 0.801 7.718 ( 1.169 -1.363 1.237) 2.180 7.763 ( -0.289 -1.121 0.698) 1.352 7.957 ( -0.475 4.409 1.512) 4.685 7.976 ( 1.462 0.557 -2.881) 3.279 8.060 ( 0.820 -3.298 -1.542) 3.732 8.072 ( 4.412 2.181 -0.103) 4.923 8.124 ( -1.880 -0.602 3.331) 3.872 8.180 ( 1.973 0.068 -1.233) 2.328 8.209 ( -0.958 3.788 1.382) 4.144 8.267 ( -0.362 2.899 -1.165) 3.145 8.315 ( 3.471 -0.794 4.421) 5.676 8.419 ( 0.828 -0.692 -1.301) 1.690 8.474 ( -4.229 -2.276 1.171) 4.943 8.483 ( -5.899 -2.286 -0.778) 6.374 8.551 ( -3.287 2.173 -3.244) 5.104 8.636 ( 0.500 3.781 -0.826) 3.902 8.677 ( -1.781 -2.205 -1.175) 3.068 8.752 ( 0.272 -0.675 1.734) 1.880 8.778 ( -2.525 0.543 -0.113) 2.585 8.852 ( -2.482 -3.085 -1.590) 4.266 9.047 ( 2.344 0.622 0.274) 2.441 9.085 ( -1.927 -1.145 2.453) 3.323 9.122 ( 0.117 -1.005 0.702) 1.232 9.181 ( -0.208 -3.272 -0.198) 3.284 9.378 ( 1.266 0.948 6.498) 6.687 9.430 ( -1.134 -1.205 1.317) 2.115 9.484 ( 0.628 3.303 -2.771) 4.357 9.507 ( 0.889 1.690 -4.061) 4.487 9.660 ( 4.411 -0.015 -3.531) 5.651 9.681 ( 2.332 -0.088 -3.321) 4.059 9.732 ( -2.639 1.905 2.792) 4.288 9.773 ( -3.489 -0.739 1.920) 4.050 9.949 ( 2.096 0.302 -0.329) 2.143 10.037 ( -1.304 -3.722 -0.361) 3.960 10.171 ( 0.453 4.358 -0.358) 4.396 10.269 ( 1.032 1.564 -0.959) 2.105 10.331 ( -0.552 -0.635 -0.703) 1.096 10.433 ( 0.430 -3.135 -1.083) 3.344 10.494 ( -1.948 0.494 -0.290) 2.030 10.541 ( 0.273 0.293 -2.703) 2.733 10.557 ( -3.787 0.640 3.354) 5.099 10.649 ( -0.525 -1.511 -0.158) 1.607 10.873 ( 2.852 -0.699 2.398) 3.791 10.878 ( 2.846 -0.735 2.078) 3.600 10.957 ( 2.476 -0.693 -0.596) 2.639 10.973 ( 2.104 -1.027 -1.418) 2.737 11.050 ( 1.576 1.436 -0.146) 2.137 11.063 ( -0.181 0.539 0.684) 0.889 11.121 ( 1.368 0.713 0.022) 1.543 11.168 ( -0.135 -1.438 -1.384) 2.000 11.295 ( 4.881 1.468 -4.117) 6.552 11.333 ( 6.417 -0.376 -4.691) 7.958 11.429 ( -3.198 0.955 3.090) 4.548 11.472 ( -4.763 -0.850 4.089) 6.335 11.799 ( 6.928 0.641 0.969) 7.025 11.811 ( 6.837 0.590 -0.316) 6.869 11.867 ( 1.588 0.306 0.613) 1.730 11.879 ( -0.079 0.216 0.673) 0.711 11.954 ( -0.096 -0.097 0.759) 0.771 11.966 ( 0.041 -0.439 0.432) 0.617 12.034 ( -2.864 0.276 1.435) 3.215 12.048 ( -4.212 0.293 1.694) 4.549 12.103 ( -3.516 -0.719 -1.465) 3.876 12.126 ( -5.560 -0.239 -1.901) 5.881 12.221 ( -1.524 0.675 -0.168) 1.675 12.224 ( -1.239 0.379 1.085) 1.690 12.274 ( -0.685 0.108 0.242) 0.735 12.314 ( -0.830 -0.464 0.312) 1.001 12.429 ( -1.686 3.239 -0.348) 3.668 12.499 ( 3.986 -0.509 -1.233) 4.203 12.524 ( 3.818 -1.074 -2.052) 4.466 12.564 ( 1.905 -0.805 0.819) 2.224 12.605 ( -3.287 0.071 1.934) 3.814 12.613 ( -2.526 -1.986 -0.056) 3.213 12.825 ( -0.134 -0.434 0.582) 0.738 12.834 ( -0.820 -0.495 0.112) 0.964 12.866 ( 0.008 0.993 0.786) 1.267 12.930 ( 0.234 -2.129 0.459) 2.190 13.045 ( 1.407 0.592 -1.476) 2.124 13.057 ( 0.227 0.673 -0.361) 0.797 13.153 ( -0.283 2.266 -0.193) 2.291 13.221 ( 0.068 -1.238 -3.978) 4.167 13.272 ( 0.450 -1.100 -2.557) 2.820 13.299 ( -1.376 -2.363 0.419) 2.767 13.396 ( 2.102 4.005 0.467) 4.547 13.463 ( -1.967 -1.319 2.501) 3.445 13.509 ( -2.613 3.152 0.338) 4.108 13.696 ( 0.390 -4.430 -1.175) 4.600 13.725 ( -1.057 1.224 1.566) 2.251 13.761 ( -0.594 -0.027 1.089) 1.241 13.803 ( -3.708 -0.498 -1.288) 3.957 13.878 ( -0.596 -3.833 -0.010) 3.879 14.037 ( 1.758 9.715 1.939) 10.061 14.329 ( 6.040 0.295 -1.715) 6.286 14.370 ( -2.043 -0.702 7.118) 7.439 14.489 ( -2.637 0.303 -1.613) 3.106 14.502 ( -3.040 -0.460 -3.833) 4.914 14.609 ( -0.075 -7.622 -1.823) 7.837 14.781 ( 1.825 0.303 0.152) 1.856 14.793 ( 0.758 -0.775 0.786) 1.339 15.000 ( 0.730 7.136 0.497) 7.191 15.191 ( 0.923 -2.967 0.615) 3.167 ======================= Grid point 18 (11/69) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 0.000 -27.086 0.000) 27.086 1.015 ( 0.000 27.086 0.000) 27.086 1.234 ( 0.000 -33.612 0.000) 33.612 1.234 ( 0.000 33.612 0.000) 33.612 1.983 ( 0.000 -48.547 0.000) 48.547 1.983 ( 0.000 48.547 0.000) 48.547 2.346 ( 0.000 -6.617 0.000) 6.617 2.346 ( 0.000 6.617 0.000) 6.617 2.528 ( 0.000 -3.512 0.000) 3.512 2.528 ( 0.000 3.512 0.000) 3.512 2.856 ( 0.000 -5.838 0.000) 5.838 2.856 ( 0.000 5.838 0.000) 5.838 2.890 ( 0.000 -0.538 0.000) 0.538 2.890 ( 0.000 0.538 0.000) 0.538 3.083 ( 0.000 -4.796 0.000) 4.796 3.083 ( 0.000 4.796 0.000) 4.796 3.154 ( 0.000 -7.625 0.000) 7.625 3.154 ( 0.000 7.625 0.000) 7.625 3.201 ( 0.000 -4.048 0.000) 4.048 3.201 ( 0.000 4.048 0.000) 4.048 3.364 ( 0.000 -6.527 0.000) 6.527 3.364 ( 0.000 6.527 0.000) 6.527 3.603 ( 0.000 -0.432 0.000) 0.432 3.603 ( 0.000 0.432 0.000) 0.432 3.659 ( 0.000 -0.465 0.000) 0.465 3.659 ( 0.000 0.465 0.000) 0.465 3.780 ( 0.000 -0.088 0.000) 0.088 3.780 ( 0.000 0.088 0.000) 0.088 3.800 ( 0.000 -7.230 0.000) 7.230 3.800 ( 0.000 7.230 0.000) 7.230 3.901 ( 0.000 -2.335 0.000) 2.335 3.901 ( 0.000 2.335 0.000) 2.335 3.985 ( 0.000 -0.585 0.000) 0.585 3.985 ( 0.000 0.585 0.000) 0.585 4.156 ( 0.000 -1.463 0.000) 1.463 4.156 ( 0.000 1.463 0.000) 1.463 4.185 ( 0.000 -3.570 0.000) 3.570 4.185 ( 0.000 3.570 0.000) 3.570 4.258 ( 0.000 -1.476 0.000) 1.476 4.258 ( 0.000 1.476 0.000) 1.476 4.385 ( 0.000 -0.904 0.000) 0.904 4.385 ( 0.000 0.904 0.000) 0.904 4.450 ( 0.000 -5.400 0.000) 5.400 4.450 ( 0.000 5.400 0.000) 5.400 4.642 ( 0.000 -1.681 0.000) 1.681 4.642 ( 0.000 1.681 0.000) 1.681 4.648 ( 0.000 -8.213 0.000) 8.213 4.648 ( 0.000 8.213 0.000) 8.213 4.668 ( 0.000 -0.932 0.000) 0.932 4.668 ( 0.000 0.932 0.000) 0.932 4.761 ( 0.000 -5.431 0.000) 5.431 4.761 ( 0.000 5.431 0.000) 5.431 4.850 ( 0.000 -5.401 0.000) 5.401 4.850 ( 0.000 5.401 0.000) 5.401 4.862 ( 0.000 -1.006 0.000) 1.006 4.862 ( 0.000 1.006 0.000) 1.006 4.955 ( 0.000 -0.519 0.000) 0.519 4.955 ( 0.000 0.519 0.000) 0.519 5.015 ( 0.000 -0.242 0.000) 0.242 5.015 ( 0.000 0.242 0.000) 0.242 5.117 ( 0.000 -1.524 0.000) 1.524 5.117 ( 0.000 1.524 0.000) 1.524 5.192 ( 0.000 -3.090 0.000) 3.090 5.192 ( 0.000 3.090 0.000) 3.090 5.249 ( 0.000 -4.377 0.000) 4.377 5.249 ( 0.000 4.377 0.000) 4.377 5.336 ( 0.000 -2.588 0.000) 2.588 5.336 ( 0.000 2.588 0.000) 2.588 5.468 ( 0.000 -0.204 0.000) 0.204 5.468 ( 0.000 0.204 0.000) 0.204 5.656 ( 0.000 -0.830 0.000) 0.830 5.656 ( 0.000 0.830 0.000) 0.830 5.933 ( 0.000 -4.253 0.000) 4.253 5.933 ( 0.000 4.253 0.000) 4.253 6.107 ( 0.000 -2.032 0.000) 2.032 6.107 ( 0.000 2.032 0.000) 2.032 6.511 ( 0.000 -0.075 0.000) 0.075 6.511 ( 0.000 0.075 0.000) 0.075 6.773 ( 0.000 -0.822 0.000) 0.822 6.773 ( 0.000 0.822 0.000) 0.822 6.825 ( 0.000 -2.742 0.000) 2.742 6.825 ( 0.000 2.742 0.000) 2.742 7.136 ( 0.000 -4.298 0.000) 4.298 7.136 ( 0.000 4.298 0.000) 4.298 7.230 ( 0.000 -2.148 0.000) 2.148 7.230 ( 0.000 2.148 0.000) 2.148 7.469 ( 0.000 -2.404 0.000) 2.404 7.469 ( 0.000 2.404 0.000) 2.404 7.593 ( 0.000 -1.743 0.000) 1.743 7.593 ( 0.000 1.743 0.000) 1.743 7.621 ( 0.000 -2.210 0.000) 2.210 7.621 ( 0.000 2.210 0.000) 2.210 7.863 ( 0.000 -2.785 0.000) 2.785 7.863 ( 0.000 2.785 0.000) 2.785 8.162 ( 0.000 -3.447 0.000) 3.447 8.162 ( 0.000 3.447 0.000) 3.447 8.301 ( 0.000 -0.687 0.000) 0.687 8.301 ( 0.000 0.687 0.000) 0.687 8.438 ( 0.000 -1.579 0.000) 1.579 8.438 ( 0.000 1.579 0.000) 1.579 8.522 ( 0.000 -0.323 0.000) 0.323 8.522 ( 0.000 0.323 0.000) 0.323 8.588 ( 0.000 -1.661 0.000) 1.661 8.588 ( 0.000 1.661 0.000) 1.661 8.776 ( 0.000 -0.727 0.000) 0.727 8.776 ( 0.000 0.727 0.000) 0.727 8.839 ( 0.000 -0.804 0.000) 0.804 8.839 ( 0.000 0.804 0.000) 0.804 8.969 ( 0.000 -0.710 0.000) 0.710 8.969 ( 0.000 0.710 0.000) 0.710 9.135 ( 0.000 -1.100 0.000) 1.100 9.135 ( 0.000 1.100 0.000) 1.100 9.151 ( 0.000 -0.204 0.000) 0.204 9.151 ( 0.000 0.204 0.000) 0.204 9.221 ( 0.000 -4.885 0.000) 4.885 9.221 ( 0.000 4.885 0.000) 4.885 9.425 ( 0.000 -1.488 0.000) 1.488 9.425 ( 0.000 1.488 0.000) 1.488 9.631 ( 0.000 -3.228 0.000) 3.228 9.631 ( 0.000 3.228 0.000) 3.228 9.723 ( 0.000 -0.109 0.000) 0.109 9.723 ( 0.000 0.109 0.000) 0.109 9.911 ( 0.000 -0.092 0.000) 0.092 9.911 ( 0.000 0.092 0.000) 0.092 9.961 ( 0.000 -1.786 0.000) 1.786 9.961 ( 0.000 1.786 0.000) 1.786 10.249 ( 0.000 -2.580 0.000) 2.580 10.249 ( 0.000 2.580 0.000) 2.580 10.463 ( 0.000 -0.022 0.000) 0.022 10.463 ( 0.000 0.022 0.000) 0.022 10.557 ( 0.000 -2.584 0.000) 2.584 10.557 ( 0.000 2.584 0.000) 2.584 10.706 ( 0.000 -1.580 0.000) 1.580 10.706 ( 0.000 1.580 0.000) 1.580 10.886 ( 0.000 -1.779 0.000) 1.779 10.886 ( 0.000 1.779 0.000) 1.779 10.992 ( 0.000 -3.445 0.000) 3.445 10.992 ( 0.000 3.445 0.000) 3.445 11.076 ( 0.000 -1.424 0.000) 1.424 11.076 ( 0.000 1.424 0.000) 1.424 11.178 ( 0.000 -2.591 0.000) 2.591 11.178 ( 0.000 2.591 0.000) 2.591 11.286 ( 0.000 -0.038 0.000) 0.038 11.286 ( 0.000 0.038 0.000) 0.038 11.730 ( 0.000 -0.512 0.000) 0.512 11.730 ( 0.000 0.512 0.000) 0.512 11.808 ( 0.000 -0.787 0.000) 0.787 11.808 ( 0.000 0.787 0.000) 0.787 11.844 ( 0.000 -1.464 0.000) 1.464 11.844 ( 0.000 1.464 0.000) 1.464 12.067 ( 0.000 -1.123 0.000) 1.123 12.067 ( 0.000 1.123 0.000) 1.123 12.252 ( 0.000 -1.652 0.000) 1.652 12.252 ( 0.000 1.652 0.000) 1.652 12.365 ( 0.000 -5.045 0.000) 5.045 12.365 ( 0.000 5.045 0.000) 5.045 12.472 ( 0.000 -2.908 0.000) 2.908 12.472 ( 0.000 2.908 0.000) 2.908 12.594 ( 0.000 -1.230 0.000) 1.230 12.594 ( 0.000 1.230 0.000) 1.230 12.660 ( 0.000 -0.962 0.000) 0.962 12.660 ( 0.000 0.962 0.000) 0.962 12.691 ( 0.000 -1.940 0.000) 1.940 12.691 ( 0.000 1.940 0.000) 1.940 12.762 ( 0.000 -1.710 0.000) 1.710 12.762 ( 0.000 1.710 0.000) 1.710 12.826 ( 0.000 -1.568 0.000) 1.568 12.826 ( 0.000 1.568 0.000) 1.568 12.930 ( 0.000 -4.340 0.000) 4.340 12.930 ( 0.000 4.340 0.000) 4.340 13.169 ( 0.000 -2.996 0.000) 2.996 13.169 ( 0.000 2.996 0.000) 2.996 13.367 ( 0.000 -5.286 0.000) 5.286 13.367 ( 0.000 5.286 0.000) 5.286 13.543 ( 0.000 -4.167 0.000) 4.167 13.543 ( 0.000 4.167 0.000) 4.167 13.650 ( 0.000 -2.846 0.000) 2.846 13.650 ( 0.000 2.846 0.000) 2.846 13.917 ( 0.000 -0.974 0.000) 0.974 13.917 ( 0.000 0.974 0.000) 0.974 13.941 ( 0.000 -3.380 0.000) 3.380 13.941 ( 0.000 3.380 0.000) 3.380 14.231 ( 0.000 -6.943 0.000) 6.943 14.231 ( 0.000 6.943 0.000) 6.943 14.551 ( 0.000 -2.630 0.000) 2.630 14.551 ( 0.000 2.630 0.000) 2.630 14.586 ( 0.000 -1.204 0.000) 1.204 14.586 ( 0.000 1.204 0.000) 1.204 14.759 ( 0.000 -1.630 0.000) 1.630 14.759 ( 0.000 1.630 0.000) 1.630 14.810 ( 0.000 -2.450 0.000) 2.450 14.810 ( 0.000 2.450 0.000) 2.450 ======================= Grid point 20 (12/69) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 19.842 -21.048 9.347) 30.399 1.270 ( 19.842 21.048 9.347) 30.399 1.403 ( 14.557 -28.724 6.902) 32.934 1.403 ( 14.557 28.724 6.902) 32.934 2.109 ( 10.335 -36.854 4.732) 38.567 2.109 ( 10.335 36.854 4.732) 38.567 2.392 ( 4.366 -4.281 0.342) 6.124 2.392 ( 4.366 4.281 0.342) 6.124 2.556 ( 5.127 -2.971 -0.571) 5.954 2.556 ( 5.127 2.971 -0.571) 5.954 2.850 ( 7.119 -3.478 -12.456) 14.762 2.850 ( 7.119 3.478 -12.456) 14.762 2.948 ( 1.484 -1.734 6.684) 7.063 2.948 ( 1.484 1.734 6.684) 7.063 3.033 ( 3.702 -5.639 -10.470) 12.454 3.033 ( 3.702 5.639 -10.470) 12.454 3.177 ( 1.753 -10.090 -1.542) 10.357 3.177 ( 1.753 10.090 -1.542) 10.357 3.263 ( 0.798 -4.611 7.423) 8.775 3.263 ( 0.798 4.611 7.423) 8.775 3.404 ( 1.397 -7.210 5.122) 8.953 3.404 ( 1.397 7.210 5.122) 8.953 3.542 ( -4.702 -2.242 -1.284) 5.365 3.542 ( -4.702 2.242 -1.284) 5.365 3.652 ( -2.307 -0.229 2.846) 3.670 3.652 ( -2.307 0.229 2.846) 3.670 3.725 ( -4.080 -3.966 -1.592) 5.909 3.725 ( -4.080 3.966 -1.592) 5.909 3.817 ( 0.781 -5.569 1.221) 5.755 3.817 ( 0.781 5.569 1.221) 5.755 3.910 ( -1.714 -3.801 -1.167) 4.330 3.910 ( -1.714 3.801 -1.167) 4.330 3.946 ( -2.683 -1.628 0.830) 3.246 3.946 ( -2.683 1.628 0.830) 3.246 4.123 ( -1.142 -1.755 -3.349) 3.950 4.123 ( -1.142 1.755 -3.349) 3.950 4.179 ( -1.435 -2.396 0.543) 2.845 4.179 ( -1.435 2.396 0.543) 2.845 4.243 ( -0.895 -2.784 -2.092) 3.595 4.243 ( -0.895 2.784 -2.092) 3.595 4.366 ( -1.025 -2.025 -0.859) 2.427 4.366 ( -1.025 2.025 -0.859) 2.427 4.469 ( 2.119 -5.812 -0.590) 6.214 4.469 ( 2.119 5.812 -0.590) 6.214 4.605 ( -2.656 -0.679 -0.387) 2.769 4.605 ( -2.656 0.679 -0.387) 2.769 4.627 ( -1.336 -3.416 -2.133) 4.243 4.627 ( -1.336 3.416 -2.133) 4.243 4.678 ( -1.908 -1.410 0.091) 2.374 4.678 ( -1.908 1.410 0.091) 2.374 4.722 ( -1.429 -2.317 -3.359) 4.323 4.722 ( -1.429 2.317 -3.359) 4.323 4.805 ( -1.306 -1.704 -0.622) 2.235 4.805 ( -1.306 1.704 -0.622) 2.235 4.884 ( -0.725 -4.120 5.109) 6.604 4.884 ( -0.725 4.120 5.109) 6.604 4.941 ( -1.282 -3.700 -1.666) 4.255 4.941 ( -1.282 3.700 -1.666) 4.255 5.037 ( 1.586 -2.343 1.504) 3.205 5.037 ( 1.586 2.343 1.504) 3.205 5.135 ( -0.273 -2.155 0.501) 2.229 5.135 ( -0.273 2.155 0.501) 2.229 5.201 ( 0.465 -3.054 0.794) 3.189 5.201 ( 0.465 3.054 0.794) 3.189 5.240 ( 0.708 -4.185 -0.332) 4.257 5.240 ( 0.708 4.185 -0.332) 4.257 5.369 ( 1.786 -2.574 1.979) 3.706 5.369 ( 1.786 2.574 1.979) 3.706 5.468 ( 0.230 -0.713 0.084) 0.753 5.468 ( 0.230 0.713 0.084) 0.753 5.631 ( -2.112 -1.123 -1.063) 2.617 5.631 ( -2.112 1.123 -1.063) 2.617 5.949 ( 1.867 -3.458 0.014) 3.929 5.949 ( 1.867 3.458 0.014) 3.929 6.113 ( 1.040 -1.784 -0.782) 2.208 6.113 ( 1.040 1.784 -0.782) 2.208 6.493 ( -1.423 -0.421 -0.988) 1.783 6.493 ( -1.423 0.421 -0.988) 1.783 6.700 ( -5.814 -2.064 -1.330) 6.311 6.700 ( -5.814 2.064 -1.330) 6.311 6.803 ( -2.462 -1.505 1.242) 3.142 6.803 ( -2.462 1.505 1.242) 3.142 7.156 ( -0.027 -4.624 2.835) 5.424 7.156 ( -0.027 4.624 2.835) 5.424 7.240 ( 2.390 -3.095 -2.303) 4.538 7.240 ( 2.390 3.095 -2.303) 4.538 7.455 ( -1.173 -2.159 -1.644) 2.957 7.455 ( -1.173 2.159 -1.644) 2.957 7.571 ( -0.195 -1.116 -2.234) 2.504 7.571 ( -0.195 1.116 -2.234) 2.504 7.626 ( 0.462 -0.869 1.593) 1.873 7.626 ( 0.462 0.869 1.593) 1.873 7.855 ( -0.822 -2.353 -0.080) 2.493 7.855 ( -0.822 2.353 -0.080) 2.493 8.161 ( -0.062 -3.130 -0.291) 3.144 8.161 ( -0.062 3.130 -0.291) 3.144 8.251 ( -4.867 -1.443 -1.108) 5.196 8.251 ( -4.867 1.443 -1.108) 5.196 8.357 ( -3.235 -3.157 -0.748) 4.582 8.357 ( -3.235 3.157 -0.748) 4.582 8.494 ( -3.515 -0.780 0.374) 3.620 8.494 ( -3.515 0.780 0.374) 3.620 8.590 ( -1.497 -2.491 1.861) 3.451 8.590 ( -1.497 2.491 1.861) 3.451 8.792 ( -1.651 -0.502 -2.584) 3.107 8.792 ( -1.651 0.502 -2.584) 3.107 8.834 ( -1.474 -1.135 -1.201) 2.214 8.834 ( -1.474 1.135 -1.201) 2.214 8.994 ( 0.238 -4.430 3.959) 5.946 8.994 ( 0.238 4.430 3.959) 5.946 9.075 ( -1.290 -3.136 -1.767) 3.823 9.075 ( -1.290 3.136 -1.767) 3.823 9.170 ( -4.689 -3.386 2.612) 6.346 9.170 ( -4.689 3.386 2.612) 6.346 9.313 ( 8.675 -2.203 0.189) 8.952 9.313 ( 8.675 2.203 0.189) 8.952 9.431 ( 0.229 -0.853 3.531) 3.640 9.431 ( 0.229 0.853 3.531) 3.640 9.672 ( 2.219 -5.226 3.014) 6.428 9.672 ( 2.219 5.226 3.014) 6.428 9.711 ( 0.331 -0.901 -3.622) 3.747 9.711 ( 0.331 0.901 -3.622) 3.747 9.936 ( 4.726 -1.589 -0.524) 5.014 9.936 ( 4.726 1.589 -0.524) 5.014 10.057 ( 7.944 -1.740 1.363) 8.246 10.057 ( 7.944 1.740 1.363) 8.246 10.251 ( 0.209 -2.693 1.115) 2.922 10.251 ( 0.209 2.693 1.115) 2.922 10.465 ( 2.745 -1.748 -5.740) 6.599 10.465 ( 2.745 1.748 -5.740) 6.599 10.524 ( -0.798 -1.649 -0.371) 1.869 10.524 ( -0.798 1.649 -0.371) 1.869 10.723 ( 0.039 -2.803 0.922) 2.951 10.723 ( 0.039 2.803 0.922) 2.951 10.856 ( -2.367 -1.036 0.651) 2.664 10.856 ( -2.367 1.036 0.651) 2.664 11.015 ( 2.073 -3.669 -0.215) 4.219 11.015 ( 2.073 3.669 -0.215) 4.219 11.117 ( 3.547 -1.018 -1.651) 4.042 11.117 ( 3.547 1.018 -1.651) 4.042 11.193 ( 1.937 -3.203 -0.146) 3.746 11.193 ( 1.937 3.203 -0.146) 3.746 11.283 ( -0.010 -0.876 1.066) 1.379 11.283 ( -0.010 0.876 1.066) 1.379 11.757 ( 1.934 -0.753 1.262) 2.429 11.757 ( 1.934 0.753 1.262) 2.429 11.804 ( -2.398 -1.063 2.999) 3.985 11.804 ( -2.398 1.063 2.999) 3.985 11.844 ( 1.879 -0.768 -2.560) 3.267 11.844 ( 1.879 0.768 -2.560) 3.267 12.093 ( 1.496 -1.243 2.201) 2.937 12.093 ( 1.496 1.243 2.201) 2.937 12.238 ( -1.570 -2.172 -0.207) 2.688 12.238 ( -1.570 2.172 -0.207) 2.688 12.356 ( -0.413 -4.583 -0.183) 4.605 12.356 ( -0.413 4.583 -0.183) 4.605 12.459 ( -2.534 -3.369 1.601) 4.509 12.459 ( -2.534 3.369 1.601) 4.509 12.574 ( -2.873 -0.732 1.593) 3.366 12.574 ( -2.873 0.732 1.593) 3.366 12.601 ( -6.725 -0.893 -1.520) 6.952 12.601 ( -6.725 0.893 -1.520) 6.952 12.655 ( -0.366 -1.783 -3.272) 3.744 12.655 ( -0.366 1.783 -3.272) 3.744 12.776 ( 1.959 -0.680 -0.011) 2.074 12.776 ( 1.959 0.680 -0.011) 2.074 12.868 ( 3.876 -1.399 0.619) 4.167 12.868 ( 3.876 1.399 0.619) 4.167 12.949 ( 0.784 -3.959 -0.052) 4.036 12.949 ( 0.784 3.959 -0.052) 4.036 13.159 ( -0.061 -2.298 0.422) 2.337 13.159 ( -0.061 2.298 0.422) 2.337 13.350 ( -2.271 -5.076 1.193) 5.688 13.350 ( -2.271 5.076 1.193) 5.688 13.559 ( 2.727 -2.629 -3.673) 5.276 13.559 ( 2.727 2.629 -3.673) 5.276 13.632 ( -2.931 -1.370 2.134) 3.876 13.632 ( -2.931 1.370 2.134) 3.876 13.879 ( -0.961 -4.245 -5.666) 7.145 13.879 ( -0.961 4.245 -5.666) 7.145 13.941 ( -0.015 -6.229 2.036) 6.553 13.941 ( -0.015 6.229 2.036) 6.553 14.185 ( -6.769 -6.926 2.621) 10.033 14.185 ( -6.769 6.926 2.621) 10.033 14.547 ( -2.723 -4.924 0.634) 5.662 14.547 ( -2.723 4.924 0.634) 5.662 14.566 ( 1.944 -2.806 -1.058) 3.574 14.566 ( 1.944 2.806 -1.058) 3.574 14.748 ( -0.555 -1.530 -1.421) 2.160 14.748 ( -0.555 1.530 -1.421) 2.160 14.889 ( 5.591 -3.191 2.287) 6.832 14.889 ( 5.591 3.191 2.287) 6.832 ======================= Grid point 22 (13/69) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 19.502 -21.213 9.721) 30.410 1.716 ( 19.502 21.213 9.721) 30.410 1.796 ( 20.537 -20.500 10.380) 30.818 1.796 ( 20.537 20.500 10.380) 30.818 2.315 ( 8.582 -7.700 1.131) 11.586 2.315 ( 8.582 7.700 1.131) 11.586 2.464 ( 4.824 -1.844 -1.523) 5.385 2.464 ( 4.824 1.844 -1.523) 5.385 2.750 ( 14.034 -12.112 -2.173) 18.664 2.750 ( 14.034 12.112 -2.173) 18.664 2.920 ( 11.078 -10.392 -4.496) 15.841 2.920 ( 11.078 10.392 -4.496) 15.841 3.003 ( 7.890 -3.695 -9.876) 13.169 3.003 ( 7.890 3.695 -9.876) 13.169 3.083 ( 3.437 -2.463 5.002) 6.550 3.083 ( 3.437 2.463 5.002) 6.550 3.195 ( 3.558 -8.837 -3.898) 10.292 3.195 ( 3.558 8.837 -3.898) 10.292 3.321 ( 0.680 -5.962 3.485) 6.939 3.321 ( 0.680 5.962 3.485) 6.939 3.439 ( -3.666 -6.943 5.742) 9.727 3.439 ( -3.666 6.943 5.742) 9.727 3.500 ( 0.598 -4.379 2.542) 5.098 3.500 ( 0.598 4.379 2.542) 5.098 3.612 ( -5.883 -5.568 0.053) 8.101 3.612 ( -5.883 5.568 0.053) 8.101 3.636 ( -5.028 -4.030 2.852) 7.046 3.636 ( -5.028 4.030 2.852) 7.046 3.808 ( -4.041 -2.171 -1.464) 4.815 3.808 ( -4.041 2.171 -1.464) 4.815 3.862 ( 0.640 -5.724 1.119) 5.867 3.862 ( 0.640 5.724 1.119) 5.867 3.920 ( -1.886 -2.792 0.542) 3.413 3.920 ( -1.886 2.792 0.542) 3.413 4.050 ( -4.601 -2.279 -3.234) 6.068 4.050 ( -4.601 2.279 -3.234) 6.068 4.146 ( -2.538 -3.442 1.205) 4.443 4.146 ( -2.538 3.442 1.205) 4.443 4.218 ( 0.024 -1.778 -0.138) 1.783 4.218 ( 0.024 1.778 -0.138) 1.783 4.352 ( 1.206 -2.637 -3.152) 4.283 4.352 ( 1.206 2.637 -3.152) 4.283 4.473 ( -2.014 -4.286 -2.226) 5.232 4.473 ( -2.014 4.286 -2.226) 5.232 4.521 ( -1.662 -3.601 -4.365) 5.898 4.521 ( -1.662 3.601 -4.365) 5.898 4.599 ( -0.927 -0.747 -2.482) 2.753 4.599 ( -0.927 0.747 -2.482) 2.753 4.636 ( -2.543 -1.976 2.678) 4.188 4.636 ( -2.543 1.976 2.678) 4.188 4.688 ( 0.092 -2.266 -1.854) 2.929 4.688 ( 0.092 2.266 -1.854) 2.929 4.788 ( -1.751 -1.977 0.132) 2.644 4.788 ( -1.751 1.977 0.132) 2.644 4.891 ( -0.638 -1.468 -0.009) 1.601 4.891 ( -0.638 1.468 -0.009) 1.601 4.925 ( 0.435 -2.221 -0.422) 2.302 4.925 ( 0.435 2.221 -0.422) 2.302 5.073 ( -0.499 -5.271 2.699) 5.943 5.073 ( -0.499 5.271 2.699) 5.943 5.115 ( -1.211 -2.457 1.056) 2.936 5.115 ( -1.211 2.457 1.056) 2.936 5.203 ( -0.904 -2.381 -1.600) 3.008 5.203 ( -0.904 2.381 -1.600) 3.008 5.258 ( -0.226 -4.239 1.889) 4.647 5.258 ( -0.226 4.239 1.889) 4.647 5.400 ( 0.547 -3.927 0.543) 4.002 5.400 ( 0.547 3.927 0.543) 4.002 5.499 ( 2.163 -2.783 1.907) 4.007 5.499 ( 2.163 2.783 1.907) 4.007 5.579 ( -2.041 -1.838 -1.394) 3.080 5.579 ( -2.041 1.838 -1.394) 3.080 5.997 ( 3.543 -1.668 0.342) 3.931 5.997 ( 3.543 1.668 0.342) 3.931 6.130 ( 1.788 -0.903 -0.933) 2.210 6.130 ( 1.788 0.903 -0.933) 2.210 6.450 ( -2.564 -1.074 -1.030) 2.964 6.450 ( -2.564 1.074 -1.030) 2.964 6.603 ( -3.997 -3.267 -0.371) 5.175 6.603 ( -3.997 3.267 -0.371) 5.175 6.769 ( -3.188 -2.331 2.025) 4.438 6.769 ( -3.188 2.331 2.025) 4.438 7.159 ( -1.478 -4.346 0.751) 4.652 7.159 ( -1.478 4.346 0.751) 4.652 7.253 ( 0.871 -2.150 -3.091) 3.865 7.253 ( 0.871 2.150 -3.091) 3.865 7.438 ( 1.138 -3.011 0.248) 3.228 7.438 ( 1.138 3.011 0.248) 3.228 7.528 ( -2.990 -0.217 -0.506) 3.040 7.528 ( -2.990 0.217 -0.506) 3.040 7.693 ( 4.153 -1.554 1.939) 4.840 7.693 ( 4.153 1.554 1.939) 4.840 7.839 ( 0.061 -1.564 -0.350) 1.604 7.839 ( 0.061 1.564 -0.350) 1.604 8.135 ( -2.872 -1.618 -0.582) 3.347 8.135 ( -2.872 1.618 -0.582) 3.347 8.187 ( -0.810 -3.077 -0.382) 3.204 8.187 ( -0.810 3.077 -0.382) 3.204 8.280 ( -5.551 -1.659 -0.464) 5.812 8.280 ( -5.551 1.659 -0.464) 5.812 8.446 ( -1.496 -1.163 -1.137) 2.210 8.446 ( -1.496 1.163 -1.137) 2.210 8.567 ( -2.582 -3.450 1.545) 4.578 8.567 ( -2.582 3.450 1.545) 4.578 8.676 ( -3.058 -3.845 -3.514) 6.040 8.676 ( -3.058 3.845 -3.514) 6.040 8.879 ( 0.335 -1.999 2.818) 3.472 8.879 ( 0.335 1.999 2.818) 3.472 8.963 ( -6.377 -2.714 -2.355) 7.320 8.963 ( -6.377 2.714 -2.355) 7.320 9.027 ( -1.255 -1.977 0.705) 2.446 9.027 ( -1.255 1.977 0.705) 2.446 9.108 ( -3.322 -2.959 4.506) 6.332 9.108 ( -3.322 2.959 4.506) 6.332 9.373 ( -0.587 -2.507 1.434) 2.947 9.373 ( -0.587 2.507 1.434) 2.947 9.498 ( 4.100 -3.037 -3.604) 6.247 9.498 ( 4.100 3.037 -3.604) 6.247 9.674 ( -0.200 -3.216 -3.832) 5.007 9.674 ( -0.200 3.216 -3.832) 5.007 9.754 ( 2.412 -4.497 5.434) 7.455 9.754 ( 2.412 4.497 5.434) 7.455 9.979 ( 0.438 -2.766 -1.557) 3.204 9.979 ( 0.438 2.766 -1.557) 3.204 10.194 ( 3.697 -3.002 0.235) 4.768 10.194 ( 3.697 3.002 0.235) 4.768 10.333 ( 6.544 -2.170 -0.336) 6.902 10.333 ( 6.544 2.170 -0.336) 6.902 10.464 ( 5.792 -3.015 -0.406) 6.543 10.464 ( 5.792 3.015 -0.406) 6.543 10.579 ( 3.976 -1.368 0.512) 4.236 10.579 ( 3.976 1.368 0.512) 4.236 10.713 ( -0.748 -3.324 0.839) 3.508 10.713 ( -0.748 3.324 0.839) 3.508 10.826 ( -0.552 -1.970 -1.861) 2.765 10.826 ( -0.552 1.970 -1.861) 2.765 11.045 ( 1.299 -3.242 -0.243) 3.501 11.045 ( 1.299 3.242 -0.243) 3.501 11.142 ( 1.573 -1.716 -2.345) 3.304 11.142 ( 1.573 1.716 -2.345) 3.304 11.230 ( 3.277 -2.233 -1.449) 4.222 11.230 ( 3.277 2.233 -1.449) 4.222 11.333 ( 4.302 -1.605 1.249) 4.759 11.333 ( 4.302 1.605 1.249) 4.759 11.760 ( -4.386 -0.592 3.384) 5.571 11.760 ( -4.386 0.592 3.384) 5.571 11.818 ( 1.882 -0.973 2.826) 3.532 11.818 ( 1.882 0.973 2.826) 3.532 11.867 ( 3.027 -0.399 -2.970) 4.259 11.867 ( 3.027 0.399 -2.970) 4.259 12.137 ( 0.904 -1.115 1.818) 2.316 12.137 ( 0.904 1.115 1.818) 2.316 12.205 ( -1.996 -1.778 1.019) 2.861 12.205 ( -1.996 1.778 1.019) 2.861 12.330 ( -5.248 -2.853 0.968) 6.052 12.330 ( -5.248 2.853 0.968) 6.052 12.418 ( -0.917 -2.187 -1.279) 2.694 12.418 ( -0.917 2.187 -1.279) 2.694 12.472 ( -5.120 -1.679 0.342) 5.399 12.472 ( -5.120 1.679 0.342) 5.399 12.538 ( -1.372 -1.304 -1.965) 2.728 12.538 ( -1.372 1.304 -1.965) 2.728 12.635 ( -0.827 -1.224 0.975) 1.770 12.635 ( -0.827 1.224 0.975) 1.770 12.804 ( 0.753 -1.035 0.598) 1.413 12.804 ( 0.753 1.035 0.598) 1.413 12.914 ( 0.255 -2.567 -1.221) 2.854 12.914 ( 0.255 2.567 -1.221) 2.854 12.975 ( 3.443 -0.706 0.421) 3.540 12.975 ( 3.443 0.706 0.421) 3.540 13.187 ( 1.776 -2.591 1.037) 3.308 13.187 ( 1.776 2.591 1.037) 3.308 13.322 ( -0.893 -3.536 -0.605) 3.697 13.322 ( -0.893 3.536 -0.605) 3.697 13.515 ( -2.221 -3.256 -6.921) 7.965 13.515 ( -2.221 3.256 -6.921) 7.965 13.625 ( -2.432 -6.434 7.069) 9.863 13.625 ( -2.432 6.434 7.069) 9.863 13.821 ( 0.404 -2.897 -6.730) 7.339 13.821 ( 0.404 2.897 -6.730) 7.339 13.971 ( -0.579 -6.995 2.973) 7.622 13.971 ( -0.579 6.995 2.973) 7.622 14.068 ( -6.729 -3.933 2.682) 8.243 14.068 ( -6.729 3.933 2.682) 8.243 14.508 ( -1.727 -7.192 -0.607) 7.421 14.508 ( -1.727 7.192 -0.607) 7.421 14.606 ( 1.478 -3.132 1.483) 3.768 14.606 ( 1.478 3.132 1.483) 3.768 14.720 ( 0.062 -1.001 -2.788) 2.963 14.720 ( 0.062 1.001 -2.788) 2.963 14.999 ( 4.414 -4.559 2.181) 6.710 14.999 ( 4.414 4.559 2.181) 6.710 ======================= Grid point 24 (14/69) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 10.637 -24.125 5.752) 26.986 2.056 ( 10.637 24.125 5.752) 26.986 2.249 ( 20.323 -13.603 9.261) 26.150 2.249 ( 20.323 13.603 9.261) 26.150 2.468 ( 10.620 -4.976 -0.870) 11.760 2.468 ( 10.620 4.976 -0.870) 11.760 2.542 ( 4.852 -2.339 0.435) 5.404 2.542 ( 4.852 2.339 0.435) 5.404 2.859 ( 6.532 -3.145 -7.484) 10.420 2.859 ( 6.532 3.145 -7.484) 10.420 2.974 ( 6.484 -1.105 -10.790) 12.637 2.974 ( 6.484 1.105 -10.790) 12.637 3.114 ( -2.372 -1.739 2.356) 3.768 3.114 ( -2.372 1.739 2.356) 3.768 3.188 ( 3.791 -4.735 -0.396) 6.079 3.188 ( 3.791 4.735 -0.396) 6.079 3.315 ( 7.906 -4.558 2.233) 9.395 3.315 ( 7.906 4.558 2.233) 9.395 3.371 ( 2.202 -2.219 1.538) 3.484 3.371 ( 2.202 2.219 1.538) 3.484 3.439 ( -3.289 -3.439 2.042) 5.178 3.439 ( -3.289 3.439 2.042) 5.178 3.495 ( -2.666 -6.848 3.226) 8.025 3.495 ( -2.666 6.848 3.226) 8.025 3.545 ( 0.820 -2.597 2.593) 3.761 3.545 ( 0.820 2.597 2.593) 3.761 3.590 ( -0.704 -1.122 4.580) 4.767 3.590 ( -0.704 1.122 4.580) 4.767 3.753 ( -0.417 -4.140 -0.850) 4.247 3.753 ( -0.417 4.140 -0.850) 4.247 3.828 ( -4.046 -5.508 -1.278) 6.953 3.828 ( -4.046 5.508 -1.278) 6.953 3.914 ( -2.965 -2.708 -0.381) 4.034 3.914 ( -2.965 2.708 -0.381) 4.034 3.951 ( 0.146 -3.934 1.655) 4.271 3.951 ( 0.146 3.934 1.655) 4.271 4.154 ( 1.013 -3.103 0.712) 3.341 4.154 ( 1.013 3.103 0.712) 3.341 4.223 ( -0.747 -1.775 2.696) 3.314 4.223 ( -0.747 1.775 2.696) 3.314 4.305 ( -3.613 -1.729 -2.823) 4.900 4.305 ( -3.613 1.729 -2.823) 4.900 4.425 ( -2.242 -1.429 -0.291) 2.675 4.425 ( -2.242 1.429 -0.291) 2.675 4.481 ( 4.479 -2.530 -9.119) 10.470 4.481 ( 4.479 2.530 -9.119) 10.470 4.552 ( -2.450 -2.351 -0.335) 3.412 4.552 ( -2.450 2.351 -0.335) 3.412 4.614 ( -0.440 -0.946 -2.276) 2.504 4.614 ( -0.440 0.946 -2.276) 2.504 4.692 ( -1.062 -2.000 1.712) 2.839 4.692 ( -1.062 2.000 1.712) 2.839 4.751 ( -1.497 -4.190 -0.443) 4.471 4.751 ( -1.497 4.190 -0.443) 4.471 4.867 ( -2.371 -0.644 0.213) 2.466 4.867 ( -2.371 0.644 0.213) 2.466 4.935 ( 1.487 -1.918 -1.794) 3.018 4.935 ( 1.487 1.918 -1.794) 3.018 5.060 ( -4.487 -4.232 1.963) 6.472 5.060 ( -4.487 4.232 1.963) 6.472 5.102 ( -1.004 -2.767 0.892) 3.076 5.102 ( -1.004 2.767 0.892) 3.076 5.164 ( -0.579 -4.977 -0.942) 5.098 5.164 ( -0.579 4.977 -0.942) 5.098 5.253 ( -1.165 -3.600 0.247) 3.792 5.253 ( -1.165 3.600 0.247) 3.792 5.414 ( 0.472 -3.496 -0.067) 3.528 5.414 ( 0.472 3.496 -0.067) 3.528 5.533 ( -0.726 -1.882 2.044) 2.872 5.533 ( -0.726 1.882 2.044) 2.872 5.570 ( 1.956 -3.964 -0.078) 4.421 5.570 ( 1.956 3.964 -0.078) 4.421 6.074 ( 4.557 -0.556 0.828) 4.665 6.074 ( 4.557 0.556 0.828) 4.665 6.154 ( 1.643 -0.658 -0.553) 1.855 6.154 ( 1.643 0.658 -0.553) 1.855 6.382 ( -3.881 -1.346 -1.522) 4.381 6.382 ( -3.881 1.346 -1.522) 4.381 6.556 ( -1.726 -2.936 0.296) 3.419 6.556 ( -1.726 2.936 0.296) 3.419 6.727 ( -3.360 -2.769 1.605) 4.640 6.727 ( -3.360 2.769 1.605) 4.640 7.126 ( -1.254 -4.633 -1.967) 5.187 7.126 ( -1.254 4.633 -1.967) 5.187 7.228 ( -0.794 -0.547 -1.529) 1.808 7.228 ( -0.794 0.547 -1.529) 1.808 7.454 ( -2.052 -0.525 0.771) 2.254 7.454 ( -2.052 0.525 0.771) 2.254 7.506 ( 1.697 -2.488 0.945) 3.156 7.506 ( 1.697 2.488 0.945) 3.156 7.735 ( -0.827 -1.779 1.554) 2.502 7.735 ( -0.827 1.779 1.554) 2.502 7.907 ( 7.433 -1.322 -0.387) 7.559 7.907 ( 7.433 1.322 -0.387) 7.559 8.080 ( -3.533 -2.911 0.387) 4.594 8.080 ( -3.533 2.911 0.387) 4.594 8.162 ( -1.475 -1.036 -1.453) 2.315 8.162 ( -1.475 1.036 -1.453) 2.315 8.225 ( 0.222 -0.972 1.657) 1.933 8.225 ( 0.222 0.972 1.657) 1.933 8.407 ( -2.356 -4.462 -0.631) 5.085 8.407 ( -2.356 4.462 -0.631) 5.085 8.529 ( -3.516 -2.336 1.214) 4.393 8.529 ( -3.516 2.336 1.214) 4.393 8.636 ( 0.409 -2.365 -2.275) 3.307 8.636 ( 0.409 2.365 -2.275) 3.307 8.773 ( -7.520 -1.694 -1.965) 7.956 8.773 ( -7.520 1.694 -1.965) 7.956 8.887 ( -4.010 -1.594 -0.110) 4.317 8.887 ( -4.010 1.594 -0.110) 4.317 9.056 ( 1.696 -2.582 2.435) 3.933 9.056 ( 1.696 2.582 2.435) 3.933 9.101 ( -1.491 -4.081 3.007) 5.284 9.101 ( -1.491 4.081 3.007) 5.284 9.379 ( -0.863 -2.736 3.424) 4.467 9.379 ( -0.863 2.736 3.424) 4.467 9.511 ( 3.412 -0.870 -5.933) 6.899 9.511 ( 3.412 0.870 -5.933) 6.899 9.650 ( 1.539 -0.329 -3.169) 3.538 9.650 ( 1.539 0.329 -3.169) 3.538 9.801 ( -2.370 -0.704 3.235) 4.071 9.801 ( -2.370 0.704 3.235) 4.071 9.968 ( 0.872 -4.523 -1.512) 4.848 9.968 ( 0.872 4.523 -1.512) 4.848 10.231 ( 1.514 -2.999 -0.159) 3.364 10.231 ( 1.514 2.999 -0.159) 3.364 10.366 ( 1.662 -3.403 -2.733) 4.670 10.366 ( 1.662 3.403 -2.733) 4.670 10.574 ( -2.198 -0.990 -0.100) 2.413 10.574 ( -2.198 0.990 -0.100) 2.413 10.603 ( 0.463 -2.420 2.984) 3.870 10.603 ( 0.463 2.420 2.984) 3.870 10.782 ( 4.832 -1.167 1.636) 5.233 10.782 ( 4.832 1.167 1.636) 5.233 10.853 ( 8.161 -1.119 -1.738) 8.419 10.853 ( 8.161 1.119 -1.738) 8.419 11.054 ( 0.187 -1.928 0.056) 1.938 11.054 ( 0.187 1.928 0.056) 1.938 11.140 ( 0.632 -2.502 -1.890) 3.199 11.140 ( 0.632 2.502 -1.890) 3.199 11.276 ( 4.181 -0.496 -3.603) 5.542 11.276 ( 4.181 0.496 -3.603) 5.542 11.430 ( 4.154 -2.016 1.626) 4.896 11.430 ( 4.154 2.016 1.626) 4.896 11.729 ( -1.529 -0.388 4.187) 4.474 11.729 ( -1.529 0.388 4.187) 4.474 11.871 ( 2.007 -1.418 -1.498) 2.878 11.871 ( 2.007 1.418 -1.498) 2.878 11.895 ( 2.445 -1.562 1.312) 3.184 11.895 ( 2.445 1.562 1.312) 3.184 12.135 ( -3.176 -0.543 0.871) 3.338 12.135 ( -3.176 0.543 0.871) 3.338 12.175 ( -4.125 -1.537 -0.175) 4.405 12.175 ( -4.125 1.537 -0.175) 4.405 12.238 ( -2.702 -0.487 2.479) 3.699 12.238 ( -2.702 0.487 2.479) 3.699 12.362 ( -5.652 -1.250 0.429) 5.805 12.362 ( -5.652 1.250 0.429) 5.805 12.457 ( 3.636 -0.145 -3.030) 4.735 12.457 ( 3.636 0.145 -3.030) 4.735 12.512 ( 0.304 -0.987 -1.457) 1.786 12.512 ( 0.304 0.987 -1.457) 1.786 12.628 ( -2.185 -0.602 2.356) 3.269 12.628 ( -2.185 0.602 2.356) 3.269 12.818 ( 0.279 -0.664 0.852) 1.116 12.818 ( 0.279 0.664 0.852) 1.116 12.896 ( -1.055 -2.664 0.237) 2.875 12.896 ( -1.055 2.664 0.237) 2.875 13.034 ( 2.971 -1.209 -1.063) 3.379 13.034 ( 2.971 1.209 -1.063) 3.379 13.210 ( 0.967 -3.212 -2.140) 3.979 13.210 ( 0.967 3.212 -2.140) 3.979 13.305 ( -0.279 -0.250 -2.703) 2.728 13.305 ( -0.279 0.250 -2.703) 2.728 13.429 ( -3.119 -0.603 1.476) 3.503 13.429 ( -3.119 0.603 1.476) 3.503 13.639 ( -0.846 -5.557 1.076) 5.723 13.639 ( -0.846 5.557 1.076) 5.723 13.766 ( -1.460 -0.824 -2.946) 3.389 13.766 ( -1.460 0.824 -2.946) 3.389 13.895 ( -6.865 -1.757 1.905) 7.338 13.895 ( -6.865 1.757 1.905) 7.338 14.106 ( 4.240 -7.984 3.978) 9.877 14.106 ( 4.240 7.984 3.978) 9.877 14.477 ( -1.047 -8.146 -0.909) 8.263 14.477 ( -1.047 8.146 -0.909) 8.263 14.588 ( -3.244 -1.990 -1.954) 4.278 14.588 ( -3.244 1.990 -1.954) 4.278 14.739 ( 3.099 -0.829 0.054) 3.209 14.739 ( 3.099 0.829 0.054) 3.209 15.076 ( 2.622 -5.255 1.485) 6.057 15.076 ( 2.622 5.255 1.485) 6.057 ======================= Grid point 26 (15/69) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 2.638 -20.621 0.812) 20.805 2.188 ( 2.638 20.621 0.812) 20.805 2.501 ( 2.108 -5.797 -0.309) 6.176 2.501 ( 2.108 5.797 -0.309) 6.176 2.668 ( 11.250 -3.758 4.682) 12.751 2.668 ( 11.250 3.758 4.682) 12.751 2.741 ( 13.027 -3.390 2.247) 13.647 2.741 ( 13.027 3.390 2.247) 13.647 2.896 ( 2.423 -3.116 -1.706) 4.300 2.896 ( 2.423 3.116 -1.706) 4.300 2.989 ( 0.504 -0.781 -1.694) 1.932 2.989 ( 0.504 0.781 -1.694) 1.932 3.076 ( -0.599 -0.858 -1.177) 1.575 3.076 ( -0.599 0.858 -1.177) 1.575 3.150 ( -5.589 -6.578 -5.576) 10.276 3.150 ( -5.589 6.578 -5.576) 10.276 3.230 ( -8.358 -1.049 0.570) 8.443 3.230 ( -8.358 1.049 0.570) 8.443 3.371 ( 3.063 -2.496 -3.621) 5.360 3.371 ( 3.063 2.496 -3.621) 5.360 3.425 ( -5.633 -2.107 4.989) 7.814 3.425 ( -5.633 2.107 4.989) 7.814 3.513 ( -0.079 -0.580 2.241) 2.316 3.513 ( -0.079 0.580 2.241) 2.316 3.582 ( 4.270 -2.346 1.649) 5.143 3.582 ( 4.270 2.346 1.649) 5.143 3.662 ( -1.020 -1.815 -1.588) 2.618 3.662 ( -1.020 1.815 -1.588) 2.618 3.744 ( -3.158 -7.013 -0.622) 7.716 3.744 ( -3.158 7.013 -0.622) 7.716 3.840 ( 2.300 -5.556 2.794) 6.631 3.840 ( 2.300 5.556 2.794) 6.631 3.938 ( 7.651 -3.261 1.304) 8.419 3.938 ( 7.651 3.261 1.304) 8.419 4.014 ( 3.237 -4.531 2.243) 6.003 4.014 ( 3.237 4.531 2.243) 6.003 4.138 ( -1.668 -1.346 -0.579) 2.220 4.138 ( -1.668 1.346 -0.579) 2.220 4.197 ( -3.674 -2.727 0.404) 4.594 4.197 ( -3.674 2.727 0.404) 4.594 4.291 ( 3.448 -1.461 -0.693) 3.809 4.291 ( 3.448 1.461 -0.693) 3.809 4.363 ( -4.030 -1.745 1.908) 4.788 4.363 ( -4.030 1.745 1.908) 4.788 4.484 ( -1.955 -1.615 -4.162) 4.874 4.484 ( -1.955 1.615 -4.162) 4.874 4.522 ( 2.102 -0.954 -1.732) 2.886 4.522 ( 2.102 0.954 -1.732) 2.886 4.606 ( 3.036 -3.946 -3.151) 5.892 4.606 ( 3.036 3.946 -3.151) 5.892 4.665 ( -1.951 -1.736 -0.345) 2.634 4.665 ( -1.951 1.736 -0.345) 2.634 4.734 ( -1.406 -4.360 1.743) 4.902 4.734 ( -1.406 4.360 1.743) 4.902 4.810 ( -3.969 -1.899 0.771) 4.467 4.810 ( -3.969 1.899 0.771) 4.467 4.943 ( 0.650 -1.910 -0.596) 2.104 4.943 ( 0.650 1.910 -0.596) 2.104 4.979 ( -2.653 -2.731 -0.716) 3.874 4.979 ( -2.653 2.731 -0.716) 3.874 5.124 ( 1.073 -3.203 1.114) 3.556 5.124 ( 1.073 3.203 1.114) 3.556 5.157 ( -0.215 -4.014 0.042) 4.020 5.157 ( -0.215 4.014 0.042) 4.020 5.235 ( -0.525 -3.141 -0.445) 3.216 5.235 ( -0.525 3.141 -0.445) 3.216 5.409 ( -0.469 -2.258 -0.137) 2.311 5.409 ( -0.469 2.258 -0.137) 2.311 5.541 ( 0.045 -1.375 0.944) 1.668 5.541 ( 0.045 1.375 0.944) 1.668 5.598 ( 0.864 -4.527 0.168) 4.612 5.598 ( 0.864 4.527 0.168) 4.612 6.145 ( 1.753 -0.127 0.064) 1.759 6.145 ( 1.753 0.127 0.064) 1.759 6.189 ( 2.863 -0.387 0.975) 3.049 6.189 ( 2.863 0.387 0.975) 3.049 6.300 ( -3.559 -0.911 -1.500) 3.968 6.300 ( -3.559 0.911 -1.500) 3.968 6.537 ( -0.723 -1.873 0.110) 2.011 6.537 ( -0.723 1.873 0.110) 2.011 6.691 ( -1.476 -3.261 0.559) 3.623 6.691 ( -1.476 3.261 0.559) 3.623 7.096 ( -0.374 -4.136 -1.158) 4.311 7.096 ( -0.374 4.136 -1.158) 4.311 7.207 ( -0.541 -2.210 -0.343) 2.301 7.207 ( -0.541 2.210 -0.343) 2.301 7.427 ( -1.047 -3.116 0.325) 3.303 7.427 ( -1.047 3.116 0.325) 3.303 7.544 ( 1.072 -2.461 0.603) 2.752 7.544 ( 1.072 2.461 0.603) 2.752 7.732 ( -0.363 -2.050 0.525) 2.147 7.732 ( -0.363 2.050 0.525) 2.147 8.002 ( 1.955 -2.424 -1.473) 3.445 8.002 ( 1.955 2.424 -1.473) 3.445 8.037 ( 0.040 -3.955 0.290) 3.966 8.037 ( 0.040 3.955 0.290) 3.966 8.164 ( 1.267 -2.100 1.092) 2.684 8.164 ( 1.267 2.100 1.092) 2.684 8.274 ( 2.201 -2.940 3.010) 4.749 8.274 ( 2.201 2.940 3.010) 4.749 8.354 ( -2.303 -5.749 -1.625) 6.403 8.354 ( -2.303 5.749 -1.625) 6.403 8.456 ( -4.449 -0.969 -0.040) 4.553 8.456 ( -4.449 0.969 -0.040) 4.553 8.613 ( -0.606 -4.073 -1.671) 4.444 8.613 ( -0.606 4.073 -1.671) 4.444 8.718 ( 1.854 -3.758 -0.062) 4.191 8.718 ( 1.854 3.758 -0.062) 4.191 8.796 ( -4.946 -2.154 -0.918) 5.473 8.796 ( -4.946 2.154 -0.918) 5.473 9.063 ( -1.353 -1.104 1.209) 2.124 9.063 ( -1.353 1.104 1.209) 2.124 9.130 ( 1.146 -1.911 0.726) 2.343 9.130 ( 1.146 1.911 0.726) 2.343 9.405 ( -0.141 -1.688 3.674) 4.046 9.405 ( -0.141 1.688 3.674) 4.046 9.521 ( 2.113 -0.587 -3.246) 3.917 9.521 ( 2.113 0.587 -3.246) 3.917 9.672 ( 2.931 -0.980 -2.744) 4.133 9.672 ( 2.931 0.980 -2.744) 4.133 9.757 ( -3.448 -1.072 1.645) 3.968 9.757 ( -3.448 1.072 1.645) 3.968 9.976 ( 0.435 -2.777 -0.274) 2.824 9.976 ( 0.435 2.777 -0.274) 2.824 10.247 ( 0.635 -3.679 -0.527) 3.771 10.247 ( 0.635 3.679 -0.527) 3.771 10.365 ( 0.439 -3.930 -1.158) 4.120 10.365 ( 0.439 3.930 -1.158) 4.120 10.514 ( -2.680 -1.716 0.095) 3.184 10.514 ( -2.680 1.716 0.095) 3.184 10.607 ( -0.583 -3.109 0.356) 3.184 10.607 ( -0.583 3.109 0.356) 3.184 10.868 ( 2.903 -0.280 1.934) 3.499 10.868 ( 2.903 0.280 1.934) 3.499 10.956 ( 2.296 -0.613 -0.805) 2.509 10.956 ( 2.296 0.613 -0.805) 2.509 11.066 ( 0.752 -0.342 0.215) 0.853 11.066 ( 0.752 0.342 0.215) 0.853 11.141 ( 0.870 -1.472 -0.860) 1.914 11.141 ( 0.870 1.472 -0.860) 1.914 11.320 ( 4.770 -1.112 -4.076) 6.373 11.320 ( 4.770 1.112 -4.076) 6.373 11.451 ( -3.521 -1.359 3.398) 5.078 11.451 ( -3.521 1.359 3.398) 5.078 11.812 ( 7.052 -0.555 0.118) 7.075 11.812 ( 7.052 0.555 0.118) 7.075 11.876 ( 0.126 -0.506 0.953) 1.086 11.876 ( 0.126 0.506 0.953) 1.086 11.957 ( 0.591 -0.426 0.642) 0.971 11.957 ( 0.591 0.426 0.642) 0.971 12.044 ( -3.921 -0.645 1.602) 4.284 12.044 ( -3.921 0.645 1.602) 4.284 12.110 ( -3.687 -1.233 -1.561) 4.190 12.110 ( -3.687 1.233 -1.561) 4.190 12.226 ( -1.428 -0.257 0.402) 1.506 12.226 ( -1.428 0.257 0.402) 1.506 12.294 ( -1.394 -1.659 0.237) 2.179 12.294 ( -1.394 1.659 0.237) 2.179 12.494 ( 2.405 -2.281 -1.497) 3.637 12.494 ( 2.405 2.281 -1.497) 3.637 12.515 ( 0.638 -2.989 -0.723) 3.141 12.515 ( 0.638 2.989 -0.723) 3.141 12.602 ( -2.187 -0.360 1.540) 2.699 12.602 ( -2.187 0.360 1.540) 2.699 12.824 ( -0.081 -0.399 0.209) 0.458 12.824 ( -0.081 0.399 0.209) 0.458 12.892 ( -0.050 -1.921 0.692) 2.042 12.892 ( -0.050 1.921 0.692) 2.042 13.058 ( 0.992 -0.630 -0.858) 1.455 13.058 ( 0.992 0.630 -0.858) 1.455 13.195 ( 0.159 -2.044 -2.033) 2.887 13.195 ( 0.159 2.044 -2.033) 2.887 13.265 ( -1.116 -0.804 -1.236) 1.849 13.265 ( -1.116 0.804 -1.236) 1.849 13.438 ( 0.312 -1.445 2.682) 3.062 13.438 ( 0.312 1.445 2.682) 3.062 13.602 ( -1.884 -6.009 -1.626) 6.504 13.602 ( -1.884 6.009 -1.626) 6.504 13.753 ( 0.623 -1.213 1.407) 1.959 13.753 ( 0.623 1.213 1.407) 1.959 13.814 ( -3.005 -2.309 -0.752) 3.864 13.814 ( -3.005 2.309 -0.752) 3.864 14.213 ( 3.087 -9.357 3.255) 10.377 14.213 ( 3.087 9.357 3.255) 10.377 14.462 ( 0.553 -6.449 -0.999) 6.550 14.462 ( 0.553 6.449 -0.999) 6.550 14.501 ( -3.639 -1.517 -1.999) 4.420 14.501 ( -3.639 1.517 -1.999) 4.420 14.786 ( 1.398 -0.244 0.423) 1.480 14.786 ( 1.398 0.244 0.423) 1.480 15.115 ( 0.867 -5.551 0.525) 5.643 15.115 ( 0.867 5.551 0.525) 5.643 ======================= Grid point 45 (16/69) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -5.745 0.000 33.180) 33.674 0.655 ( -2.345 0.000 33.520) 33.602 1.170 ( -1.341 0.000 58.657) 58.673 1.818 ( 0.493 0.000 5.470) 5.492 2.151 ( 0.384 0.000 4.165) 4.183 2.180 ( 3.826 0.000 -2.649) 4.654 2.326 ( 4.664 0.000 -2.563) 5.322 2.333 ( 1.379 0.000 -14.465) 14.531 2.384 ( 3.442 0.000 -10.145) 10.713 2.401 ( 1.673 0.000 -1.143) 2.026 2.507 ( -3.819 0.000 -2.797) 4.734 2.684 ( -0.156 0.000 -8.679) 8.680 2.903 ( 0.927 0.000 -9.108) 9.155 2.944 ( -0.371 0.000 -10.021) 10.028 3.029 ( -1.074 0.000 -8.068) 8.139 3.161 ( 0.148 0.000 2.080) 2.085 3.199 ( -4.588 0.000 10.356) 11.326 3.324 ( 1.761 0.000 11.891) 12.021 3.346 ( -2.246 0.000 -1.899) 2.941 3.384 ( -3.587 0.000 8.089) 8.848 3.520 ( -1.965 0.000 5.875) 6.195 3.554 ( 2.477 0.000 4.637) 5.257 3.573 ( -1.634 0.000 -1.287) 2.080 3.590 ( 1.918 0.000 4.934) 5.294 3.719 ( -1.441 0.000 -1.284) 1.931 3.723 ( -3.109 0.000 -2.291) 3.862 3.725 ( 0.747 0.000 3.643) 3.719 3.749 ( -0.680 0.000 0.235) 0.719 3.827 ( 0.472 0.000 -1.678) 1.743 3.833 ( -2.055 0.000 -14.929) 15.070 3.894 ( 1.160 0.000 3.155) 3.362 3.912 ( -1.221 0.000 -1.162) 1.686 3.942 ( -0.425 0.000 0.433) 0.607 3.944 ( -0.912 0.000 0.429) 1.008 4.055 ( 1.334 0.000 -0.356) 1.381 4.121 ( 0.067 0.000 -1.654) 1.655 4.137 ( -3.100 0.000 2.015) 3.698 4.244 ( -0.949 0.000 -1.094) 1.448 4.248 ( -1.987 0.000 -3.671) 4.174 4.258 ( 0.941 0.000 -1.772) 2.006 4.310 ( 3.054 0.000 0.594) 3.112 4.350 ( 3.087 0.000 -0.737) 3.174 4.452 ( 2.950 0.000 3.104) 4.282 4.465 ( 1.084 0.000 -0.785) 1.339 4.517 ( 0.140 0.000 1.784) 1.790 4.574 ( 0.390 0.000 -2.073) 2.110 4.613 ( 1.634 0.000 -5.116) 5.371 4.630 ( 3.319 0.000 -2.829) 4.361 4.633 ( 0.268 0.000 -5.718) 5.724 4.674 ( -2.876 0.000 -3.714) 4.698 4.715 ( 3.766 0.000 4.737) 6.051 4.741 ( -3.639 0.000 2.695) 4.529 4.763 ( -3.369 0.000 0.105) 3.370 4.847 ( -2.612 0.000 -2.001) 3.290 4.897 ( -1.643 0.000 -0.115) 1.647 4.928 ( 2.940 0.000 -1.055) 3.124 4.955 ( 1.628 0.000 0.020) 1.628 4.957 ( -0.169 0.000 0.453) 0.483 5.012 ( 1.223 0.000 1.276) 1.767 5.021 ( -2.274 0.000 -3.280) 3.991 5.063 ( 1.065 0.000 -1.073) 1.512 5.121 ( 0.140 0.000 -0.370) 0.395 5.152 ( -0.997 0.000 2.415) 2.613 5.183 ( 3.775 0.000 2.159) 4.349 5.215 ( -2.005 0.000 2.727) 3.385 5.307 ( -1.792 0.000 -0.966) 2.036 5.375 ( -0.465 0.000 7.334) 7.349 5.410 ( -1.025 0.000 2.314) 2.530 5.535 ( 1.391 0.000 0.709) 1.561 5.543 ( 0.280 0.000 -0.520) 0.590 5.604 ( -0.633 0.000 -0.106) 0.642 5.638 ( -0.033 0.000 -2.611) 2.611 5.853 ( -0.278 0.000 2.305) 2.321 6.023 ( -0.676 0.000 0.222) 0.712 6.035 ( 0.126 0.000 -1.987) 1.991 6.121 ( 0.028 0.000 -2.407) 2.407 6.516 ( -0.237 0.000 -0.360) 0.431 6.576 ( -0.800 0.000 -3.200) 3.299 6.725 ( -14.297 0.000 0.159) 14.298 6.739 ( 4.596 0.000 0.660) 4.643 6.827 ( -0.219 0.000 3.306) 3.313 6.871 ( -1.863 0.000 1.984) 2.721 7.000 ( 1.465 0.000 -0.419) 1.524 7.145 ( 0.709 0.000 -4.549) 4.603 7.254 ( 4.977 0.000 -0.041) 4.978 7.307 ( 1.838 0.000 0.019) 1.838 7.371 ( -1.771 0.000 -0.728) 1.915 7.442 ( 0.559 0.000 -2.313) 2.379 7.548 ( 1.312 0.000 -1.143) 1.741 7.550 ( -1.010 0.000 -1.174) 1.548 7.663 ( -0.289 0.000 2.613) 2.629 7.671 ( -2.628 0.000 2.780) 3.825 7.763 ( 0.996 0.000 0.669) 1.199 7.875 ( 0.599 0.000 -3.466) 3.518 8.131 ( -1.698 0.000 -0.653) 1.819 8.162 ( -0.481 0.000 -0.928) 1.045 8.257 ( -0.722 0.000 0.978) 1.215 8.341 ( -2.289 0.000 -1.852) 2.944 8.347 ( 7.085 0.000 1.640) 7.273 8.366 ( -4.093 0.000 -2.133) 4.615 8.553 ( 2.241 0.000 -1.201) 2.542 8.569 ( -1.080 0.000 1.985) 2.260 8.587 ( 3.919 0.000 2.429) 4.611 8.625 ( -4.565 0.000 0.515) 4.594 8.652 ( 3.984 0.000 2.408) 4.655 8.744 ( 4.751 0.000 -1.243) 4.912 8.777 ( -1.210 0.000 -4.362) 4.526 8.799 ( 5.422 0.000 0.479) 5.443 8.992 ( -5.731 0.000 0.146) 5.732 9.047 ( 1.726 0.000 5.381) 5.651 9.087 ( -1.156 0.000 -3.466) 3.653 9.147 ( 0.717 0.000 1.642) 1.792 9.164 ( 1.782 0.000 3.521) 3.946 9.215 ( 8.155 0.000 -0.152) 8.156 9.320 ( -2.198 0.000 2.264) 3.155 9.402 ( -6.575 0.000 -1.714) 6.795 9.442 ( 4.663 0.000 -0.522) 4.693 9.606 ( 1.659 0.000 8.250) 8.415 9.622 ( 2.352 0.000 4.404) 4.992 9.700 ( 1.581 0.000 -1.233) 2.005 9.701 ( -4.764 0.000 -1.194) 4.911 9.808 ( -0.599 0.000 1.895) 1.987 9.867 ( 10.636 0.000 -0.107) 10.637 9.880 ( 0.319 0.000 -4.265) 4.277 9.941 ( -7.534 0.000 -5.147) 9.124 10.079 ( 1.791 0.000 4.302) 4.660 10.123 ( 3.617 0.000 -2.881) 4.624 10.178 ( -0.225 0.000 -1.602) 1.618 10.412 ( -2.114 0.000 -3.280) 3.902 10.423 ( 2.109 0.000 -7.785) 8.066 10.489 ( -4.536 0.000 1.040) 4.653 10.558 ( -3.826 0.000 -3.703) 5.325 10.758 ( 0.856 0.000 4.719) 4.796 10.797 ( -1.782 0.000 6.562) 6.799 10.893 ( 0.758 0.000 1.677) 1.840 10.911 ( 4.086 0.000 -1.500) 4.352 10.992 ( 2.999 0.000 -3.321) 4.475 10.993 ( -4.909 0.000 -0.735) 4.964 11.105 ( -2.932 0.000 -2.897) 4.122 11.113 ( -5.088 0.000 0.874) 5.163 11.125 ( -0.231 0.000 0.848) 0.879 11.289 ( -1.093 0.000 3.649) 3.809 11.305 ( 1.185 0.000 1.992) 2.318 11.344 ( -2.237 0.000 4.641) 5.152 11.693 ( 1.761 0.000 -4.115) 4.476 11.694 ( 4.024 0.000 -3.254) 5.175 11.744 ( 5.013 0.000 -5.444) 7.400 11.763 ( 1.807 0.000 -3.828) 4.233 11.886 ( -5.273 0.000 4.739) 7.090 11.912 ( -2.199 0.000 2.426) 3.274 12.110 ( 0.125 0.000 1.444) 1.449 12.181 ( 1.004 0.000 1.711) 1.984 12.194 ( 2.424 0.000 -1.661) 2.938 12.213 ( 6.006 0.000 1.964) 6.319 12.284 ( -1.767 0.000 3.166) 3.626 12.348 ( -1.013 0.000 -2.094) 2.327 12.365 ( 0.009 0.000 2.015) 2.015 12.516 ( 2.306 0.000 3.108) 3.870 12.539 ( -0.128 0.000 -4.809) 4.811 12.562 ( -0.951 0.000 3.063) 3.207 12.597 ( -1.197 0.000 1.389) 1.834 12.642 ( -0.155 0.000 1.144) 1.154 12.707 ( -0.488 0.000 1.060) 1.167 12.712 ( -3.271 0.000 -0.758) 3.357 12.781 ( -1.663 0.000 2.110) 2.687 12.801 ( -1.491 0.000 0.382) 1.539 12.831 ( -0.433 0.000 -0.655) 0.785 12.852 ( -0.384 0.000 1.229) 1.287 12.886 ( 4.127 0.000 2.653) 4.907 13.052 ( -0.479 0.000 -3.715) 3.746 13.123 ( 3.514 0.000 -1.391) 3.779 13.141 ( 2.730 0.000 -3.586) 4.507 13.176 ( 2.014 0.000 -7.913) 8.165 13.271 ( 1.928 0.000 -4.512) 4.906 13.404 ( -1.706 0.000 -4.662) 4.965 13.432 ( 5.380 0.000 -10.664) 11.944 13.729 ( -0.296 0.000 -0.077) 0.306 13.855 ( -13.963 0.000 7.529) 15.864 13.898 ( -6.054 0.000 6.652) 8.994 14.002 ( 1.821 0.000 -2.640) 3.206 14.030 ( -4.914 0.000 5.828) 7.623 14.046 ( -1.985 0.000 3.900) 4.376 14.102 ( -2.216 0.000 7.248) 7.580 14.428 ( -0.415 0.000 -1.337) 1.400 14.440 ( 1.472 0.000 0.255) 1.494 14.503 ( 4.359 0.000 -5.178) 6.768 14.599 ( -4.995 0.000 -0.042) 4.995 14.663 ( 1.080 0.000 -0.822) 1.357 14.685 ( -0.810 0.000 3.124) 3.227 14.770 ( 3.190 0.000 -0.973) 3.335 14.779 ( -1.722 0.000 -0.384) 1.764 14.857 ( 6.686 0.000 -0.972) 6.756 ======================= Grid point 46 (17/69) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 8.591 0.000 26.820) 28.162 1.108 ( 19.845 0.000 25.558) 32.358 1.883 ( 23.570 0.000 46.161) 51.830 1.960 ( 9.543 0.000 4.389) 10.503 2.223 ( 9.172 0.000 -11.941) 15.057 2.271 ( 9.732 0.000 -19.468) 21.765 2.298 ( 9.681 0.000 2.117) 9.910 2.348 ( 7.671 0.000 -11.696) 13.987 2.429 ( 3.290 0.000 6.943) 7.683 2.471 ( 3.951 0.000 1.788) 4.337 2.545 ( 4.909 0.000 7.262) 8.766 2.624 ( 3.093 0.000 -4.918) 5.810 2.850 ( 3.448 0.000 -12.231) 12.708 2.891 ( 3.788 0.000 -10.265) 10.941 2.961 ( 4.414 0.000 -13.595) 14.294 3.197 ( 0.728 0.000 4.467) 4.526 3.203 ( -5.142 0.000 6.941) 8.638 3.260 ( -3.023 0.000 -2.702) 4.054 3.360 ( -4.298 0.000 8.007) 9.088 3.429 ( -3.380 0.000 7.063) 7.830 3.490 ( -3.323 0.000 -6.151) 6.991 3.564 ( -0.130 0.000 8.250) 8.251 3.630 ( -0.535 0.000 -1.999) 2.069 3.651 ( 2.058 0.000 6.079) 6.418 3.677 ( -1.877 0.000 -1.756) 2.570 3.682 ( 4.285 0.000 -12.874) 13.568 3.719 ( -2.528 0.000 2.841) 3.803 3.755 ( 0.400 0.000 1.203) 1.267 3.763 ( 3.270 0.000 4.083) 5.231 3.812 ( -0.261 0.000 0.195) 0.326 3.909 ( 1.209 0.000 -3.194) 3.415 3.938 ( -0.359 0.000 -1.532) 1.574 3.945 ( -1.156 0.000 5.820) 5.934 3.976 ( 3.716 0.000 3.498) 5.103 4.030 ( 0.412 0.000 -6.447) 6.460 4.066 ( -5.158 0.000 2.031) 5.543 4.101 ( -3.790 0.000 0.079) 3.791 4.183 ( -3.776 0.000 -4.340) 5.753 4.196 ( -1.328 0.000 2.948) 3.233 4.236 ( -3.030 0.000 0.408) 3.057 4.306 ( -1.699 0.000 -1.147) 2.050 4.407 ( 2.346 0.000 0.777) 2.472 4.477 ( 1.249 0.000 -1.089) 1.657 4.492 ( -1.188 0.000 -1.432) 1.861 4.505 ( -5.454 0.000 -7.041) 8.907 4.530 ( 0.604 0.000 1.055) 1.216 4.582 ( -2.591 0.000 2.514) 3.610 4.601 ( 0.312 0.000 -5.928) 5.936 4.611 ( -2.388 0.000 -0.931) 2.564 4.634 ( 1.127 0.000 -1.014) 1.516 4.707 ( 0.001 0.000 -0.188) 0.188 4.710 ( -2.574 0.000 2.707) 3.736 4.752 ( -4.313 0.000 -3.989) 5.875 4.818 ( 2.554 0.000 -1.609) 3.019 4.865 ( 0.194 0.000 1.965) 1.975 4.919 ( -4.160 0.000 1.553) 4.440 4.950 ( -0.224 0.000 -0.497) 0.545 4.970 ( -0.031 0.000 1.155) 1.155 4.990 ( 1.699 0.000 -4.361) 4.681 5.015 ( -3.264 0.000 0.833) 3.369 5.081 ( 1.969 0.000 1.188) 2.299 5.110 ( 0.051 0.000 -0.669) 0.671 5.194 ( 2.361 0.000 0.058) 2.361 5.216 ( 0.432 0.000 1.509) 1.570 5.274 ( 1.587 0.000 2.785) 3.205 5.285 ( 0.401 0.000 0.406) 0.570 5.403 ( -1.605 0.000 1.114) 1.953 5.423 ( -0.983 0.000 5.276) 5.366 5.545 ( 0.535 0.000 0.050) 0.537 5.558 ( -1.241 0.000 0.609) 1.382 5.574 ( -0.758 0.000 0.662) 1.006 5.606 ( -0.144 0.000 -2.794) 2.798 5.903 ( 3.202 0.000 2.814) 4.263 6.021 ( 0.309 0.000 0.394) 0.501 6.036 ( 2.152 0.000 -2.398) 3.222 6.107 ( 0.702 0.000 -2.236) 2.343 6.492 ( -2.404 0.000 -0.079) 2.406 6.527 ( -1.688 0.000 -2.179) 2.757 6.546 ( -7.690 0.000 2.563) 8.106 6.771 ( -4.293 0.000 2.880) 5.170 6.810 ( -0.776 0.000 2.396) 2.519 6.921 ( 3.010 0.000 1.665) 3.440 6.994 ( -2.003 0.000 -0.702) 2.122 7.114 ( 0.981 0.000 -2.900) 3.062 7.290 ( 0.336 0.000 -5.007) 5.019 7.296 ( -3.064 0.000 0.098) 3.065 7.384 ( 3.523 0.000 -1.021) 3.668 7.462 ( 4.030 0.000 -0.268) 4.038 7.549 ( 2.535 0.000 -0.440) 2.573 7.562 ( 1.021 0.000 0.104) 1.026 7.636 ( -3.334 0.000 2.471) 4.150 7.687 ( 1.032 0.000 2.842) 3.024 7.784 ( -0.375 0.000 -0.264) 0.459 7.833 ( -1.098 0.000 -3.104) 3.292 8.108 ( -0.811 0.000 1.076) 1.347 8.149 ( -0.119 0.000 -1.486) 1.491 8.218 ( -6.117 0.000 -0.933) 6.187 8.251 ( -1.572 0.000 1.246) 2.006 8.313 ( -2.293 0.000 -0.686) 2.393 8.443 ( -3.238 0.000 0.589) 3.291 8.496 ( -5.943 0.000 1.994) 6.269 8.513 ( -3.233 0.000 -6.587) 7.338 8.521 ( -6.291 0.000 2.160) 6.652 8.577 ( -2.858 0.000 0.236) 2.867 8.671 ( -2.166 0.000 -1.869) 2.861 8.774 ( 1.615 0.000 2.138) 2.680 8.792 ( 3.537 0.000 -0.002) 3.537 8.884 ( 5.666 0.000 1.653) 5.902 8.958 ( -1.026 0.000 2.171) 2.401 8.990 ( -3.021 0.000 -3.419) 4.563 9.092 ( -3.653 0.000 4.801) 6.033 9.191 ( -5.297 0.000 0.022) 5.297 9.216 ( 0.207 0.000 -2.392) 2.401 9.268 ( -1.851 0.000 0.677) 1.971 9.306 ( 2.935 0.000 0.824) 3.048 9.319 ( 3.272 0.000 -4.636) 5.674 9.482 ( -2.008 0.000 0.753) 2.145 9.520 ( -10.967 0.000 -2.610) 11.273 9.656 ( -5.630 0.000 7.046) 9.019 9.667 ( 4.394 0.000 0.638) 4.440 9.705 ( 1.590 0.000 4.150) 4.444 9.803 ( 0.250 0.000 -4.108) 4.116 9.907 ( 4.917 0.000 1.897) 5.270 9.988 ( 8.401 0.000 2.266) 8.702 10.122 ( 0.115 0.000 -3.262) 3.264 10.145 ( 4.491 0.000 -0.222) 4.497 10.196 ( 17.494 0.000 -6.164) 18.548 10.236 ( 9.943 0.000 -1.987) 10.140 10.336 ( -2.391 0.000 -3.519) 4.254 10.411 ( 4.339 0.000 -3.211) 5.398 10.497 ( 1.293 0.000 -1.789) 2.208 10.515 ( 4.561 0.000 2.308) 5.112 10.779 ( -4.603 0.000 7.457) 8.763 10.829 ( 0.330 0.000 2.925) 2.944 10.850 ( -7.369 0.000 0.590) 7.393 10.912 ( -3.682 0.000 0.855) 3.779 10.971 ( 4.495 0.000 -5.370) 7.003 11.026 ( -3.565 0.000 -1.454) 3.850 11.048 ( 5.239 0.000 -2.099) 5.644 11.053 ( 0.226 0.000 1.207) 1.228 11.135 ( 0.321 0.000 0.189) 0.372 11.296 ( -1.106 0.000 3.132) 3.322 11.307 ( -1.781 0.000 3.179) 3.644 11.337 ( -1.149 0.000 0.756) 1.375 11.709 ( 3.247 0.000 -3.149) 4.524 11.746 ( 3.679 0.000 -4.675) 5.949 11.771 ( 3.398 0.000 -1.576) 3.746 11.808 ( 5.615 0.000 -4.161) 6.989 11.864 ( -2.379 0.000 4.481) 5.073 11.900 ( -1.474 0.000 2.999) 3.341 12.136 ( 1.153 0.000 1.105) 1.597 12.199 ( 0.621 0.000 1.260) 1.405 12.202 ( 0.121 0.000 -2.415) 2.418 12.286 ( -1.924 0.000 4.518) 4.911 12.309 ( -0.559 0.000 -2.402) 2.466 12.311 ( 4.380 0.000 -0.003) 4.380 12.353 ( -2.474 0.000 1.455) 2.870 12.465 ( -3.104 0.000 -5.000) 5.885 12.534 ( -6.740 0.000 3.761) 7.718 12.572 ( -1.563 0.000 4.861) 5.106 12.585 ( -2.428 0.000 0.654) 2.514 12.604 ( -4.050 0.000 1.787) 4.426 12.683 ( -1.098 0.000 0.450) 1.186 12.696 ( -3.669 0.000 -1.032) 3.812 12.733 ( 3.376 0.000 2.122) 3.987 12.792 ( -0.991 0.000 0.934) 1.361 12.845 ( 0.742 0.000 -1.152) 1.371 12.873 ( 2.889 0.000 -0.332) 2.908 12.975 ( 2.540 0.000 2.215) 3.370 13.006 ( 0.017 0.000 -4.423) 4.423 13.125 ( 1.068 0.000 -5.746) 5.844 13.163 ( 3.807 0.000 -3.839) 5.407 13.202 ( 4.072 0.000 0.096) 4.073 13.249 ( 1.056 0.000 -8.987) 9.049 13.376 ( 1.026 0.000 0.705) 1.245 13.432 ( 6.227 0.000 -12.728) 14.170 13.701 ( -7.646 0.000 3.772) 8.526 13.732 ( -3.107 0.000 5.678) 6.472 13.851 ( -5.405 0.000 6.902) 8.767 13.993 ( -5.311 0.000 3.169) 6.184 14.012 ( -5.431 0.000 9.326) 10.792 14.046 ( 3.152 0.000 -1.299) 3.409 14.088 ( -5.322 0.000 5.534) 7.677 14.396 ( -11.503 0.000 0.684) 11.524 14.450 ( 4.142 0.000 -2.111) 4.649 14.451 ( -1.641 0.000 3.036) 3.452 14.577 ( 4.679 0.000 -5.357) 7.113 14.661 ( -0.485 0.000 -0.469) 0.675 14.733 ( -2.621 0.000 -1.874) 3.222 14.748 ( 4.013 0.000 0.714) 4.076 14.780 ( 0.630 0.000 0.450) 0.774 14.993 ( 7.870 0.000 -0.996) 7.933 ======================= Grid point 47 (18/69) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 10.743 0.000 18.859) 21.704 1.688 ( 23.644 0.000 18.423) 29.974 2.134 ( 11.446 0.000 -9.247) 14.715 2.266 ( 13.428 0.000 -19.902) 24.008 2.365 ( 14.966 0.000 -9.899) 17.943 2.372 ( 7.570 0.000 -9.675) 12.285 2.536 ( 6.138 0.000 9.485) 11.297 2.545 ( 9.882 0.000 10.007) 14.064 2.550 ( 6.439 0.000 0.945) 6.508 2.690 ( 17.473 0.000 15.358) 23.264 2.746 ( 8.396 0.000 4.421) 9.489 2.766 ( 14.948 0.000 21.208) 25.946 2.827 ( 7.050 0.000 -11.892) 13.825 2.885 ( 5.556 0.000 -9.221) 10.766 2.940 ( 7.216 0.000 -14.211) 15.938 3.156 ( 0.467 0.000 0.354) 0.586 3.249 ( -1.585 0.000 5.872) 6.082 3.264 ( 0.063 0.000 5.143) 5.143 3.335 ( -3.662 0.000 -5.606) 6.696 3.353 ( -4.927 0.000 7.957) 9.359 3.451 ( -0.005 0.000 1.562) 1.562 3.563 ( -3.309 0.000 -3.056) 4.504 3.602 ( -2.548 0.000 4.831) 5.462 3.631 ( -2.214 0.000 -1.396) 2.618 3.676 ( 8.420 0.000 -12.983) 15.474 3.697 ( -2.952 0.000 0.198) 2.959 3.719 ( -4.385 0.000 8.436) 9.508 3.749 ( -1.018 0.000 2.449) 2.652 3.829 ( -1.115 0.000 1.380) 1.774 3.834 ( -5.260 0.000 1.447) 5.456 3.897 ( 2.185 0.000 -4.564) 5.060 3.904 ( 0.429 0.000 0.521) 0.674 3.933 ( -2.987 0.000 1.490) 3.338 3.987 ( -2.883 0.000 -1.393) 3.202 4.029 ( 1.314 0.000 -2.182) 2.547 4.050 ( 1.396 0.000 0.287) 1.425 4.051 ( -3.443 0.000 -2.505) 4.258 4.080 ( 1.507 0.000 1.078) 1.853 4.184 ( -2.649 0.000 1.535) 3.061 4.260 ( -2.462 0.000 -1.679) 2.980 4.262 ( 2.803 0.000 6.106) 6.718 4.338 ( -6.719 0.000 -3.884) 7.760 4.414 ( -1.081 0.000 -2.221) 2.470 4.463 ( -1.295 0.000 1.643) 2.092 4.488 ( -3.924 0.000 0.544) 3.961 4.491 ( -0.074 0.000 0.524) 0.529 4.517 ( 0.007 0.000 -2.682) 2.682 4.552 ( -3.057 0.000 -3.615) 4.734 4.609 ( -1.807 0.000 3.748) 4.161 4.626 ( -0.973 0.000 -2.200) 2.406 4.660 ( -2.483 0.000 -2.504) 3.526 4.717 ( 2.676 0.000 -4.121) 4.914 4.717 ( -0.604 0.000 0.922) 1.102 4.800 ( -0.362 0.000 -3.227) 3.247 4.851 ( -3.678 0.000 1.640) 4.027 4.888 ( -0.501 0.000 2.512) 2.561 4.947 ( 1.151 0.000 -1.245) 1.696 4.951 ( -4.184 0.000 1.099) 4.326 4.993 ( 0.087 0.000 1.259) 1.262 4.996 ( 2.065 0.000 -2.107) 2.950 5.111 ( 0.710 0.000 -0.620) 0.943 5.117 ( 0.199 0.000 0.975) 0.995 5.205 ( 0.531 0.000 -0.920) 1.062 5.220 ( -1.894 0.000 0.357) 1.927 5.259 ( -4.329 0.000 0.135) 4.332 5.326 ( 2.768 0.000 0.578) 2.827 5.381 ( -1.945 0.000 1.438) 2.419 5.428 ( -1.564 0.000 1.786) 2.374 5.506 ( -3.018 0.000 0.333) 3.037 5.557 ( -0.030 0.000 0.335) 0.337 5.600 ( 0.718 0.000 1.358) 1.536 5.612 ( 2.688 0.000 -0.689) 2.775 6.000 ( 4.876 0.000 2.589) 5.520 6.051 ( 2.450 0.000 1.560) 2.904 6.065 ( 3.269 0.000 -2.183) 3.931 6.108 ( 1.508 0.000 -1.494) 2.123 6.424 ( -5.167 0.000 0.775) 5.225 6.470 ( -3.634 0.000 0.053) 3.634 6.484 ( -1.596 0.000 -1.197) 1.995 6.709 ( -4.890 0.000 2.633) 5.554 6.787 ( -4.010 0.000 0.835) 4.096 6.925 ( -3.868 0.000 -2.172) 4.436 6.971 ( 1.178 0.000 0.809) 1.429 7.134 ( 2.365 0.000 -0.365) 2.393 7.228 ( -1.045 0.000 -5.032) 5.139 7.240 ( -3.233 0.000 -0.037) 3.233 7.434 ( 2.624 0.000 0.402) 2.655 7.510 ( -0.440 0.000 0.943) 1.041 7.571 ( -2.339 0.000 2.382) 3.338 7.622 ( 4.086 0.000 -1.157) 4.246 7.632 ( 3.272 0.000 -0.267) 3.283 7.703 ( -3.273 0.000 -0.854) 3.383 7.760 ( 4.701 0.000 1.484) 4.930 7.855 ( 3.423 0.000 -0.319) 3.437 8.113 ( -1.474 0.000 2.397) 2.814 8.122 ( -1.277 0.000 -1.896) 2.286 8.169 ( -0.610 0.000 2.547) 2.619 8.179 ( -7.087 0.000 -1.006) 7.158 8.264 ( -2.320 0.000 -0.781) 2.448 8.306 ( -5.496 0.000 1.227) 5.631 8.346 ( -6.485 0.000 -2.768) 7.051 8.437 ( -3.529 0.000 0.388) 3.551 8.529 ( -2.615 0.000 1.188) 2.872 8.554 ( 3.426 0.000 -0.137) 3.429 8.645 ( -0.282 0.000 0.309) 0.418 8.808 ( -1.331 0.000 3.871) 4.093 8.843 ( 1.280 0.000 -2.359) 2.684 8.914 ( -4.159 0.000 0.471) 4.185 8.916 ( -6.760 0.000 -0.454) 6.776 9.003 ( -7.051 0.000 3.341) 7.803 9.020 ( 6.428 0.000 2.634) 6.946 9.067 ( -9.701 0.000 -0.439) 9.711 9.143 ( -5.884 0.000 -0.267) 5.890 9.219 ( 2.218 0.000 -1.627) 2.751 9.333 ( 3.876 0.000 -7.583) 8.516 9.355 ( 3.185 0.000 -4.099) 5.191 9.435 ( 1.015 0.000 -0.372) 1.081 9.449 ( -0.848 0.000 1.983) 2.157 9.607 ( -5.066 0.000 5.186) 7.249 9.691 ( -4.712 0.000 -4.362) 6.421 9.779 ( 4.750 0.000 4.020) 6.223 9.797 ( 0.898 0.000 -0.578) 1.068 9.930 ( -1.444 0.000 -0.047) 1.445 10.090 ( 2.337 0.000 -2.223) 3.226 10.137 ( 2.178 0.000 1.089) 2.435 10.171 ( 1.237 0.000 -1.494) 1.940 10.302 ( 1.174 0.000 -1.138) 1.635 10.363 ( 6.672 0.000 -2.371) 7.081 10.463 ( 14.301 0.000 -2.691) 14.552 10.570 ( 7.201 0.000 1.649) 7.388 10.572 ( 12.267 0.000 0.404) 12.274 10.630 ( 1.782 0.000 3.528) 3.952 10.735 ( -1.422 0.000 -0.624) 1.553 10.753 ( -5.493 0.000 8.040) 9.737 10.824 ( -1.776 0.000 -0.372) 1.815 10.858 ( -3.282 0.000 1.125) 3.469 10.982 ( 2.138 0.000 -4.037) 4.568 10.996 ( 1.545 0.000 -1.011) 1.846 11.098 ( 3.321 0.000 -0.511) 3.360 11.109 ( 3.271 0.000 -1.603) 3.643 11.139 ( 0.627 0.000 -1.429) 1.560 11.279 ( -3.836 0.000 0.880) 3.936 11.325 ( 2.012 0.000 2.862) 3.498 11.368 ( 5.214 0.000 -0.235) 5.219 11.737 ( 2.614 0.000 -2.514) 3.627 11.759 ( 2.967 0.000 -3.327) 4.457 11.804 ( 0.535 0.000 -1.076) 1.201 11.857 ( 1.888 0.000 0.391) 1.928 11.872 ( 0.129 0.000 2.199) 2.203 11.927 ( 1.113 0.000 3.443) 3.618 12.152 ( 0.328 0.000 -0.978) 1.031 12.168 ( -1.685 0.000 -0.793) 1.862 12.220 ( -0.667 0.000 3.031) 3.104 12.258 ( -2.432 0.000 -1.765) 3.005 12.316 ( -2.533 0.000 -0.640) 2.613 12.320 ( 0.163 0.000 2.801) 2.805 12.369 ( -2.050 0.000 -4.025) 4.517 12.381 ( 2.238 0.000 0.703) 2.346 12.450 ( -5.118 0.000 4.563) 6.857 12.495 ( -5.238 0.000 -1.312) 5.400 12.502 ( -8.509 0.000 3.204) 9.093 12.564 ( -4.261 0.000 1.616) 4.557 12.672 ( 0.806 0.000 -0.375) 0.889 12.689 ( -0.462 0.000 1.764) 1.823 12.783 ( 1.623 0.000 -1.790) 2.417 12.831 ( 2.875 0.000 1.178) 3.107 12.840 ( 1.292 0.000 -0.882) 1.565 12.915 ( 1.580 0.000 -0.444) 1.641 12.996 ( 3.844 0.000 -5.007) 6.312 13.004 ( -1.010 0.000 2.144) 2.370 13.118 ( 1.701 0.000 -4.756) 5.051 13.168 ( 0.693 0.000 -8.818) 8.846 13.178 ( 2.060 0.000 -3.967) 4.470 13.248 ( 1.571 0.000 -1.717) 2.328 13.415 ( 2.430 0.000 -1.121) 2.676 13.417 ( 4.715 0.000 -12.942) 13.774 13.610 ( -7.938 0.000 6.436) 10.219 13.748 ( -0.714 0.000 5.401) 5.448 13.851 ( -1.710 0.000 7.518) 7.710 13.913 ( -6.491 0.000 3.967) 7.607 13.979 ( -6.476 0.000 5.754) 8.663 14.041 ( -5.112 0.000 6.061) 7.929 14.093 ( 0.845 0.000 -2.049) 2.217 14.202 ( -9.836 0.000 3.426) 10.416 14.458 ( -1.414 0.000 4.632) 4.843 14.510 ( 3.318 0.000 -1.411) 3.606 14.609 ( 4.070 0.000 -5.671) 6.980 14.646 ( 0.810 0.000 -2.039) 2.194 14.655 ( -4.132 0.000 -1.694) 4.466 14.812 ( 1.306 0.000 2.366) 2.703 14.816 ( 3.755 0.000 -0.966) 3.877 15.102 ( 5.831 0.000 -1.566) 6.038 ======================= Grid point 48 (19/69) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 6.375 0.000 10.656) 12.417 2.185 ( 17.083 0.000 4.451) 17.654 2.268 ( 15.193 0.000 -9.271) 17.799 2.374 ( 15.185 0.000 -12.441) 19.630 2.403 ( 6.402 0.000 -3.281) 7.194 2.502 ( 8.567 0.000 -7.277) 11.240 2.607 ( 4.505 0.000 1.761) 4.837 2.738 ( 11.560 0.000 0.560) 11.573 2.831 ( 7.319 0.000 5.704) 9.280 2.836 ( 6.668 0.000 -7.355) 9.928 2.889 ( 5.343 0.000 -6.042) 8.066 2.908 ( 6.412 0.000 6.370) 9.038 2.980 ( 7.207 0.000 -3.327) 7.938 3.027 ( 11.278 0.000 6.388) 12.961 3.174 ( -6.841 0.000 2.847) 7.410 3.184 ( 5.320 0.000 -0.831) 5.385 3.302 ( 6.588 0.000 2.789) 7.154 3.314 ( -1.702 0.000 4.897) 5.184 3.336 ( 3.921 0.000 4.287) 5.810 3.343 ( -1.035 0.000 1.923) 2.184 3.438 ( -5.094 0.000 -1.033) 5.197 3.496 ( -1.644 0.000 2.241) 2.779 3.556 ( -4.417 0.000 3.268) 5.495 3.577 ( -1.879 0.000 -0.282) 1.901 3.651 ( 1.778 0.000 8.064) 8.258 3.674 ( -7.255 0.000 4.911) 8.760 3.711 ( 0.308 0.000 -4.333) 4.344 3.714 ( -5.163 0.000 2.100) 5.574 3.764 ( -4.407 0.000 3.159) 5.422 3.781 ( -4.763 0.000 3.227) 5.753 3.832 ( -4.196 0.000 -3.452) 5.434 3.912 ( -3.057 0.000 -4.730) 5.632 3.926 ( 6.309 0.000 -8.101) 10.268 3.934 ( 1.218 0.000 4.042) 4.221 3.973 ( 1.251 0.000 0.463) 1.334 4.054 ( 4.400 0.000 -4.473) 6.274 4.102 ( 3.779 0.000 -2.855) 4.736 4.143 ( 0.568 0.000 -4.708) 4.742 4.178 ( -0.063 0.000 -0.341) 0.347 4.203 ( -0.404 0.000 3.456) 3.479 4.253 ( -1.418 0.000 1.126) 1.811 4.293 ( -3.212 0.000 1.728) 3.648 4.411 ( 3.754 0.000 -4.002) 5.487 4.444 ( -0.865 0.000 -2.072) 2.246 4.452 ( -4.171 0.000 5.196) 6.663 4.457 ( -3.518 0.000 -1.069) 3.676 4.520 ( 2.412 0.000 -1.254) 2.719 4.553 ( -6.683 0.000 -1.030) 6.762 4.554 ( 5.830 0.000 1.402) 5.997 4.573 ( -7.576 0.000 1.753) 7.776 4.592 ( -1.773 0.000 0.559) 1.859 4.710 ( 1.973 0.000 -1.047) 2.233 4.711 ( 2.434 0.000 -7.216) 7.615 4.775 ( -0.525 0.000 -0.218) 0.568 4.838 ( -0.860 0.000 2.770) 2.900 4.877 ( -4.404 0.000 -0.808) 4.477 4.918 ( -0.313 0.000 4.533) 4.544 4.959 ( 1.706 0.000 -3.987) 4.336 4.980 ( -2.127 0.000 0.619) 2.216 5.018 ( 0.378 0.000 2.048) 2.083 5.088 ( -3.131 0.000 0.345) 3.150 5.126 ( 1.224 0.000 0.178) 1.237 5.143 ( -5.223 0.000 -0.961) 5.310 5.185 ( -2.869 0.000 -1.178) 3.102 5.227 ( 1.540 0.000 0.546) 1.634 5.361 ( -1.054 0.000 2.835) 3.024 5.374 ( 1.067 0.000 -0.619) 1.233 5.410 ( -1.362 0.000 0.180) 1.374 5.475 ( -1.060 0.000 0.616) 1.226 5.553 ( -0.466 0.000 -0.028) 0.467 5.609 ( -0.475 0.000 0.191) 0.512 5.656 ( 2.274 0.000 -0.460) 2.320 6.100 ( 2.654 0.000 -1.303) 2.957 6.104 ( 4.461 0.000 2.313) 5.025 6.132 ( 4.660 0.000 2.213) 5.158 6.137 ( 2.744 0.000 -1.135) 2.970 6.343 ( -4.642 0.000 0.566) 4.676 6.395 ( -4.830 0.000 -0.425) 4.849 6.453 ( -0.661 0.000 -1.076) 1.262 6.648 ( -4.616 0.000 1.675) 4.910 6.705 ( -4.520 0.000 -1.019) 4.634 6.838 ( -3.147 0.000 -2.971) 4.328 6.981 ( -0.349 0.000 0.882) 0.949 7.165 ( 1.965 0.000 -2.868) 3.477 7.192 ( -2.248 0.000 0.689) 2.352 7.207 ( 1.810 0.000 1.176) 2.159 7.462 ( -5.988 0.000 1.291) 6.126 7.482 ( 1.955 0.000 1.238) 2.314 7.542 ( -2.088 0.000 1.531) 2.590 7.587 ( -2.573 0.000 -1.674) 3.070 7.703 ( 4.793 0.000 -2.451) 5.383 7.742 ( 2.546 0.000 0.790) 2.666 7.844 ( 4.379 0.000 -1.856) 4.756 7.926 ( 6.306 0.000 -2.772) 6.888 8.023 ( -5.473 0.000 1.943) 5.808 8.075 ( -1.689 0.000 -2.076) 2.676 8.157 ( -1.307 0.000 1.702) 2.146 8.199 ( -2.902 0.000 0.563) 2.956 8.219 ( -1.447 0.000 -1.229) 1.899 8.230 ( 1.337 0.000 6.311) 6.452 8.321 ( 0.935 0.000 1.365) 1.655 8.405 ( -0.361 0.000 -0.423) 0.556 8.521 ( -0.485 0.000 2.685) 2.729 8.589 ( 0.875 0.000 -0.900) 1.255 8.642 ( -4.068 0.000 4.486) 6.056 8.708 ( -11.960 0.000 -4.059) 12.630 8.742 ( -5.636 0.000 -1.831) 5.926 8.819 ( -3.328 0.000 2.915) 4.424 8.821 ( -5.164 0.000 0.487) 5.187 8.922 ( -4.989 0.000 0.289) 4.997 8.987 ( 1.741 0.000 0.381) 1.783 9.114 ( 0.469 0.000 -0.907) 1.021 9.154 ( 2.653 0.000 4.422) 5.156 9.218 ( -0.133 0.000 -2.714) 2.718 9.325 ( 3.954 0.000 -7.788) 8.734 9.362 ( 2.948 0.000 -5.246) 6.017 9.460 ( 0.782 0.000 2.863) 2.967 9.494 ( -2.615 0.000 0.274) 2.630 9.560 ( 1.899 0.000 -2.527) 3.161 9.584 ( -1.163 0.000 -0.502) 1.267 9.805 ( -1.123 0.000 2.363) 2.616 9.885 ( 0.383 0.000 5.595) 5.608 9.909 ( 1.012 0.000 1.121) 1.510 10.074 ( 0.222 0.000 -2.294) 2.304 10.155 ( -1.614 0.000 1.952) 2.533 10.194 ( 2.885 0.000 -1.227) 3.135 10.322 ( 1.459 0.000 -2.479) 2.876 10.427 ( 2.625 0.000 -1.100) 2.846 10.544 ( -2.547 0.000 2.324) 3.448 10.558 ( -4.874 0.000 -0.153) 4.876 10.696 ( 0.339 0.000 -0.289) 0.446 10.708 ( -3.335 0.000 5.742) 6.640 10.805 ( 8.468 0.000 0.948) 8.521 10.824 ( 5.442 0.000 -0.465) 5.462 10.854 ( 5.035 0.000 3.437) 6.096 10.875 ( 6.891 0.000 -1.178) 6.991 10.995 ( 2.106 0.000 -0.489) 2.162 11.034 ( 3.694 0.000 -1.723) 4.076 11.116 ( -1.465 0.000 0.442) 1.531 11.144 ( 2.558 0.000 -3.321) 4.192 11.149 ( 4.621 0.000 -2.957) 5.486 11.213 ( -3.063 0.000 -1.135) 3.267 11.418 ( 5.431 0.000 1.913) 5.758 11.485 ( 7.262 0.000 -0.673) 7.293 11.753 ( 1.104 0.000 -0.496) 1.211 11.781 ( -0.184 0.000 -1.965) 1.973 11.811 ( 3.236 0.000 2.082) 3.848 11.882 ( -1.020 0.000 4.605) 4.717 11.915 ( 4.227 0.000 -1.177) 4.387 11.975 ( 0.856 0.000 2.509) 2.651 12.119 ( -3.819 0.000 -0.285) 3.830 12.135 ( -2.792 0.000 0.115) 2.795 12.184 ( -2.348 0.000 -2.499) 3.428 12.200 ( -4.469 0.000 -0.293) 4.479 12.260 ( -2.557 0.000 1.229) 2.837 12.295 ( -7.132 0.000 1.504) 7.289 12.329 ( -5.085 0.000 -0.921) 5.168 12.329 ( -3.331 0.000 -0.792) 3.424 12.411 ( 2.445 0.000 -1.917) 3.107 12.448 ( 1.275 0.000 1.930) 2.313 12.489 ( -5.529 0.000 1.631) 5.765 12.512 ( 4.776 0.000 0.667) 4.823 12.677 ( -0.679 0.000 -0.221) 0.714 12.680 ( -2.172 0.000 1.923) 2.900 12.815 ( 2.625 0.000 -0.950) 2.792 12.824 ( 0.645 0.000 -2.603) 2.681 12.871 ( -0.595 0.000 -1.534) 1.645 12.932 ( 1.612 0.000 -1.357) 2.107 13.003 ( -0.885 0.000 2.422) 2.578 13.030 ( 4.788 0.000 -5.702) 7.445 13.077 ( -0.472 0.000 -1.085) 1.183 13.166 ( 4.697 0.000 -6.675) 8.162 13.185 ( 2.053 0.000 -1.838) 2.755 13.239 ( 1.128 0.000 -3.377) 3.560 13.372 ( 2.616 0.000 -11.308) 11.606 13.416 ( -0.644 0.000 -2.372) 2.458 13.546 ( -5.494 0.000 6.372) 8.413 13.796 ( 0.077 0.000 5.879) 5.879 13.849 ( -3.312 0.000 1.133) 3.501 13.893 ( -6.554 0.000 1.434) 6.709 13.898 ( -4.073 0.000 7.627) 8.647 13.961 ( -8.440 0.000 3.112) 8.995 14.024 ( -3.968 0.000 7.888) 8.830 14.210 ( 3.452 0.000 0.173) 3.457 14.476 ( -0.513 0.000 2.739) 2.787 14.510 ( -1.431 0.000 -0.829) 1.654 14.538 ( -4.384 0.000 -3.976) 5.918 14.658 ( 1.987 0.000 2.394) 3.111 14.674 ( 4.709 0.000 -4.057) 6.216 14.852 ( 0.516 0.000 2.288) 2.345 14.858 ( 2.863 0.000 -2.605) 3.871 15.167 ( 3.737 0.000 -2.551) 4.524 ======================= Grid point 49 (20/69) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -0.722 0.000 5.786) 5.830 2.291 ( 3.541 0.000 -7.385) 8.190 2.438 ( 9.041 0.000 -7.207) 11.562 2.475 ( 5.817 0.000 1.163) 5.932 2.537 ( 10.857 0.000 -12.115) 16.268 2.700 ( 8.951 0.000 1.629) 9.098 2.765 ( -2.518 0.000 -0.020) 2.518 2.783 ( 2.610 0.000 2.168) 3.393 2.890 ( 8.246 0.000 -5.463) 9.892 2.904 ( 4.045 0.000 -1.255) 4.235 2.948 ( 6.209 0.000 -2.383) 6.651 3.026 ( 0.196 0.000 0.714) 0.740 3.065 ( 1.068 0.000 2.380) 2.609 3.097 ( -3.746 0.000 3.840) 5.364 3.197 ( -0.659 0.000 3.697) 3.755 3.214 ( 3.207 0.000 -5.704) 6.544 3.278 ( -7.557 0.000 1.949) 7.804 3.288 ( 4.855 0.000 -4.961) 6.941 3.337 ( -2.055 0.000 -2.226) 3.029 3.408 ( -0.438 0.000 5.104) 5.122 3.427 ( 1.451 0.000 6.160) 6.328 3.466 ( -5.174 0.000 -0.332) 5.184 3.511 ( 3.734 0.000 5.694) 6.809 3.537 ( -1.686 0.000 0.903) 1.913 3.569 ( -6.833 0.000 0.268) 6.838 3.626 ( -2.659 0.000 0.056) 2.659 3.643 ( -4.391 0.000 2.191) 4.907 3.686 ( -8.195 0.000 2.808) 8.662 3.721 ( -3.784 0.000 -0.499) 3.817 3.769 ( -1.371 0.000 5.300) 5.475 3.835 ( -1.528 0.000 2.774) 3.166 3.905 ( 1.261 0.000 6.389) 6.513 3.969 ( 0.831 0.000 -2.953) 3.068 4.029 ( 1.106 0.000 2.794) 3.005 4.063 ( 8.328 0.000 -4.466) 9.450 4.107 ( 5.724 0.000 -6.668) 8.788 4.115 ( 3.595 0.000 -0.501) 3.630 4.137 ( 7.849 0.000 -5.760) 9.736 4.171 ( -0.950 0.000 0.249) 0.982 4.213 ( -3.079 0.000 1.257) 3.326 4.240 ( -1.867 0.000 -1.890) 2.656 4.261 ( -1.004 0.000 0.266) 1.039 4.363 ( -5.798 0.000 0.942) 5.875 4.397 ( -2.365 0.000 -1.180) 2.643 4.412 ( -1.953 0.000 0.033) 1.954 4.422 ( 1.815 0.000 -4.487) 4.840 4.470 ( 2.709 0.000 2.176) 3.475 4.516 ( 1.319 0.000 -0.269) 1.346 4.534 ( -3.113 0.000 0.220) 3.120 4.610 ( 5.036 0.000 -1.837) 5.360 4.648 ( 1.151 0.000 0.599) 1.298 4.710 ( 4.914 0.000 -6.643) 8.263 4.718 ( -5.639 0.000 4.256) 7.065 4.752 ( -0.620 0.000 -0.571) 0.843 4.798 ( -6.031 0.000 4.831) 7.727 4.884 ( 5.221 0.000 0.794) 5.281 4.913 ( -2.803 0.000 1.194) 3.046 4.933 ( -1.579 0.000 -1.801) 2.395 4.979 ( 0.530 0.000 0.944) 1.082 5.026 ( -1.124 0.000 1.039) 1.530 5.053 ( -2.001 0.000 4.122) 4.582 5.059 ( -2.399 0.000 1.622) 2.896 5.153 ( 0.377 0.000 1.408) 1.457 5.175 ( 3.221 0.000 -2.408) 4.022 5.248 ( 0.409 0.000 -0.087) 0.418 5.357 ( -2.494 0.000 -1.129) 2.737 5.371 ( 0.155 0.000 1.431) 1.439 5.388 ( -1.364 0.000 0.299) 1.396 5.478 ( 0.424 0.000 0.872) 0.970 5.543 ( -0.248 0.000 -0.711) 0.753 5.593 ( -0.838 0.000 -0.731) 1.112 5.674 ( 0.587 0.000 -1.222) 1.356 6.142 ( 2.906 0.000 -0.180) 2.912 6.160 ( 0.520 0.000 -0.723) 0.891 6.178 ( 1.346 0.000 0.329) 1.385 6.218 ( 1.379 0.000 0.545) 1.483 6.294 ( -0.851 0.000 2.592) 2.728 6.313 ( -3.072 0.000 1.020) 3.237 6.455 ( 2.157 0.000 -1.383) 2.562 6.575 ( -4.625 0.000 0.630) 4.667 6.634 ( -1.707 0.000 -2.004) 2.633 6.776 ( -0.540 0.000 -3.483) 3.525 6.990 ( -0.004 0.000 2.396) 2.396 7.179 ( -0.571 0.000 1.827) 1.914 7.180 ( 2.466 0.000 -1.661) 2.973 7.277 ( 2.275 0.000 3.639) 4.292 7.358 ( -4.740 0.000 -0.585) 4.776 7.512 ( -0.574 0.000 1.018) 1.169 7.522 ( -1.698 0.000 1.082) 2.014 7.545 ( -0.088 0.000 -1.199) 1.203 7.729 ( 1.543 0.000 -4.444) 4.704 7.753 ( -0.493 0.000 -1.621) 1.695 7.868 ( 1.258 0.000 -2.868) 3.132 8.015 ( 5.574 0.000 -2.835) 6.253 8.016 ( 0.570 0.000 5.115) 5.147 8.034 ( -0.261 0.000 -3.265) 3.275 8.137 ( 0.225 0.000 0.764) 0.796 8.167 ( -0.727 0.000 -3.996) 4.061 8.217 ( -0.437 0.000 3.054) 3.085 8.281 ( -2.912 0.000 5.408) 6.142 8.339 ( -2.242 0.000 -3.017) 3.759 8.428 ( 2.707 0.000 0.524) 2.757 8.502 ( -3.111 0.000 1.166) 3.323 8.538 ( -1.607 0.000 3.572) 3.916 8.578 ( -6.323 0.000 6.674) 9.194 8.599 ( 0.004 0.000 0.587) 0.587 8.690 ( -0.955 0.000 0.372) 1.025 8.772 ( -1.468 0.000 0.200) 1.481 8.776 ( -4.511 0.000 -0.488) 4.537 8.868 ( 0.938 0.000 0.132) 0.947 9.032 ( 2.991 0.000 -1.673) 3.427 9.110 ( 0.449 0.000 -1.853) 1.907 9.136 ( -4.962 0.000 0.566) 4.994 9.198 ( 0.695 0.000 -2.341) 2.442 9.328 ( -0.342 0.000 -6.545) 6.554 9.369 ( 2.198 0.000 -6.565) 6.923 9.418 ( 0.911 0.000 -0.906) 1.285 9.514 ( 2.646 0.000 -0.531) 2.699 9.578 ( 3.321 0.000 2.182) 3.974 9.643 ( 3.338 0.000 0.103) 3.339 9.793 ( -3.230 0.000 2.968) 4.387 9.884 ( -4.231 0.000 6.342) 7.624 9.976 ( 1.177 0.000 2.490) 2.754 10.085 ( 1.590 0.000 0.110) 1.594 10.135 ( -2.150 0.000 2.214) 3.086 10.244 ( 2.356 0.000 1.066) 2.587 10.320 ( 1.177 0.000 -0.270) 1.208 10.445 ( 2.040 0.000 -1.764) 2.697 10.511 ( -1.175 0.000 1.369) 1.804 10.514 ( -1.975 0.000 3.007) 3.598 10.661 ( -5.925 0.000 5.491) 8.078 10.692 ( -1.469 0.000 3.208) 3.528 10.863 ( 0.975 0.000 -2.871) 3.032 10.877 ( 0.700 0.000 -4.542) 4.595 10.950 ( 1.920 0.000 -1.788) 2.623 10.969 ( 3.846 0.000 2.310) 4.486 11.040 ( 1.277 0.000 0.816) 1.516 11.080 ( 2.745 0.000 -3.353) 4.334 11.110 ( -0.610 0.000 2.042) 2.131 11.177 ( 0.219 0.000 -0.037) 0.222 11.183 ( 6.645 0.000 -3.340) 7.437 11.228 ( 8.399 0.000 -4.600) 9.576 11.481 ( -1.846 0.000 2.171) 2.850 11.538 ( -2.134 0.000 0.755) 2.263 11.793 ( 4.458 0.000 -1.583) 4.730 11.798 ( 4.169 0.000 0.283) 4.179 11.910 ( 0.442 0.000 3.146) 3.177 11.910 ( 2.525 0.000 3.023) 3.938 11.964 ( -4.082 0.000 0.456) 4.108 11.982 ( -1.145 0.000 1.557) 1.933 12.037 ( -1.199 0.000 -0.545) 1.317 12.055 ( -5.159 0.000 -1.191) 5.295 12.086 ( -5.180 0.000 -1.903) 5.518 12.130 ( -4.358 0.000 2.824) 5.193 12.181 ( 0.363 0.000 -1.895) 1.929 12.225 ( -2.040 0.000 -1.177) 2.355 12.273 ( -1.377 0.000 -0.202) 1.392 12.313 ( 0.089 0.000 -0.161) 0.184 12.413 ( -3.150 0.000 1.081) 3.330 12.474 ( 5.285 0.000 -3.141) 6.148 12.491 ( 3.102 0.000 -2.113) 3.753 12.599 ( 1.774 0.000 1.757) 2.497 12.638 ( -2.133 0.000 0.934) 2.329 12.650 ( -3.680 0.000 2.822) 4.638 12.809 ( 0.620 0.000 -4.382) 4.426 12.833 ( -0.381 0.000 -1.600) 1.645 12.839 ( 0.426 0.000 -0.026) 0.427 12.935 ( 0.278 0.000 -2.975) 2.988 13.007 ( 0.011 0.000 0.129) 0.129 13.060 ( 4.396 0.000 -4.729) 6.457 13.101 ( 0.752 0.000 3.754) 3.828 13.192 ( 4.209 0.000 -4.841) 6.415 13.220 ( 5.960 0.000 -4.991) 7.773 13.259 ( 2.652 0.000 -2.791) 3.850 13.343 ( 2.864 0.000 -2.451) 3.770 13.367 ( -2.790 0.000 -0.384) 2.816 13.536 ( -1.528 0.000 5.469) 5.679 13.769 ( -8.210 0.000 2.189) 8.497 13.786 ( -5.410 0.000 -1.855) 5.719 13.806 ( -2.025 0.000 -2.864) 3.507 13.835 ( -0.231 0.000 2.905) 2.915 13.977 ( -2.508 0.000 9.746) 10.064 14.038 ( -3.600 0.000 9.771) 10.413 14.238 ( 1.990 0.000 -6.446) 6.746 14.441 ( -4.279 0.000 -0.632) 4.326 14.482 ( -0.604 0.000 -0.268) 0.661 14.509 ( 1.726 0.000 4.646) 4.956 14.706 ( 3.377 0.000 -5.408) 6.376 14.730 ( 1.451 0.000 6.287) 6.453 14.861 ( -1.290 0.000 0.991) 1.626 14.867 ( 1.586 0.000 -4.210) 4.499 15.186 ( 1.714 0.000 -3.767) 4.139 ======================= Grid point 50 (21/69) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -11.846 0.000 3.503) 12.353 2.266 ( -5.266 0.000 -4.721) 7.072 2.349 ( -15.929 0.000 -12.212) 20.071 2.429 ( -3.765 0.000 0.339) 3.781 2.546 ( 4.995 0.000 -2.366) 5.527 2.722 ( 9.142 0.000 -9.459) 13.155 2.791 ( -2.445 0.000 -1.216) 2.731 2.851 ( -2.324 0.000 -2.599) 3.486 2.881 ( -7.406 0.000 0.463) 7.420 2.907 ( -6.127 0.000 -1.149) 6.234 2.964 ( -5.394 0.000 3.899) 6.656 3.045 ( 3.705 0.000 3.175) 4.879 3.078 ( 1.287 0.000 -2.243) 2.586 3.086 ( -2.059 0.000 2.154) 2.979 3.180 ( -2.447 0.000 -0.562) 2.511 3.233 ( 4.808 0.000 1.318) 4.985 3.277 ( -2.627 0.000 -2.678) 3.752 3.310 ( 0.619 0.000 0.116) 0.630 3.315 ( 7.491 0.000 -0.529) 7.510 3.380 ( -5.876 0.000 2.181) 6.267 3.389 ( -3.825 0.000 0.630) 3.877 3.464 ( -3.910 0.000 3.320) 5.130 3.473 ( 5.295 0.000 1.469) 5.495 3.549 ( -8.224 0.000 3.533) 8.951 3.586 ( -5.573 0.000 4.691) 7.284 3.615 ( -3.495 0.000 2.197) 4.128 3.639 ( -1.889 0.000 1.464) 2.390 3.642 ( 2.507 0.000 0.026) 2.507 3.726 ( -4.394 0.000 0.594) 4.434 3.766 ( 8.354 0.000 6.376) 10.509 3.825 ( 4.318 0.000 5.717) 7.164 3.875 ( -5.646 0.000 -3.703) 6.752 3.938 ( 2.600 0.000 0.631) 2.675 4.007 ( -3.956 0.000 -0.690) 4.016 4.088 ( -2.025 0.000 -3.092) 3.696 4.090 ( 1.669 0.000 -5.483) 5.732 4.125 ( 2.009 0.000 -4.685) 5.098 4.145 ( -5.596 0.000 0.328) 5.606 4.206 ( 0.849 0.000 1.326) 1.575 4.218 ( 3.421 0.000 2.457) 4.212 4.255 ( 4.320 0.000 -0.134) 4.322 4.280 ( 3.176 0.000 -0.498) 3.215 4.349 ( -2.302 0.000 1.110) 2.555 4.381 ( 1.426 0.000 -5.616) 5.794 4.413 ( 4.460 0.000 -0.299) 4.470 4.443 ( 5.726 0.000 -6.381) 8.574 4.460 ( -2.412 0.000 -4.493) 5.099 4.576 ( 4.350 0.000 -0.758) 4.416 4.590 ( -5.318 0.000 2.360) 5.818 4.609 ( -0.844 0.000 -3.396) 3.499 4.639 ( -0.427 0.000 -1.070) 1.152 4.660 ( 6.416 0.000 8.713) 10.820 4.693 ( -1.998 0.000 -0.495) 2.058 4.731 ( -4.244 0.000 4.520) 6.200 4.830 ( 0.803 0.000 3.388) 3.482 4.888 ( -2.854 0.000 1.896) 3.427 4.893 ( 3.221 0.000 -1.947) 3.764 4.955 ( 0.355 0.000 -1.434) 1.478 4.997 ( 1.833 0.000 -0.699) 1.962 5.043 ( 3.751 0.000 -0.629) 3.804 5.092 ( 0.641 0.000 5.743) 5.778 5.102 ( 2.356 0.000 5.572) 6.049 5.171 ( 0.795 0.000 1.063) 1.327 5.208 ( 1.658 0.000 -0.825) 1.852 5.246 ( 0.198 0.000 -0.520) 0.557 5.282 ( -4.070 0.000 -1.858) 4.474 5.371 ( -0.973 0.000 0.502) 1.095 5.386 ( 0.568 0.000 -0.233) 0.614 5.493 ( 0.402 0.000 0.808) 0.902 5.533 ( 0.231 0.000 -1.433) 1.452 5.568 ( -1.280 0.000 -0.937) 1.586 5.658 ( -0.752 0.000 -1.633) 1.798 6.138 ( -4.422 0.000 -0.511) 4.451 6.150 ( -0.890 0.000 0.060) 0.893 6.166 ( -4.059 0.000 -1.145) 4.217 6.183 ( 0.902 0.000 0.769) 1.185 6.333 ( 1.933 0.000 3.360) 3.876 6.372 ( 3.850 0.000 2.780) 4.749 6.482 ( 1.744 0.000 -1.699) 2.435 6.524 ( -0.364 0.000 -0.648) 0.744 6.617 ( 1.769 0.000 -2.194) 2.818 6.765 ( 2.872 0.000 -3.429) 4.472 7.016 ( -0.140 0.000 2.960) 2.963 7.205 ( 1.016 0.000 3.181) 3.339 7.215 ( 2.535 0.000 -1.703) 3.054 7.252 ( -4.018 0.000 1.568) 4.313 7.396 ( 4.554 0.000 2.649) 5.268 7.484 ( -1.998 0.000 -0.239) 2.012 7.505 ( -0.857 0.000 0.658) 1.081 7.558 ( 1.857 0.000 -1.001) 2.109 7.693 ( -0.947 0.000 -4.752) 4.846 7.715 ( -0.717 0.000 -3.486) 3.559 7.876 ( 2.417 0.000 -0.674) 2.509 7.960 ( -3.663 0.000 -4.790) 6.030 8.063 ( -4.071 0.000 3.689) 5.493 8.065 ( 2.207 0.000 -1.466) 2.649 8.154 ( -0.032 0.000 0.422) 0.424 8.171 ( 2.932 0.000 -0.538) 2.981 8.213 ( 2.795 0.000 -2.189) 3.550 8.244 ( -3.136 0.000 3.370) 4.604 8.260 ( -1.979 0.000 1.661) 2.583 8.459 ( -1.130 0.000 -0.466) 1.222 8.507 ( -3.524 0.000 4.170) 5.460 8.556 ( -1.204 0.000 2.821) 3.067 8.614 ( 1.703 0.000 1.441) 2.231 8.628 ( 9.221 0.000 3.623) 9.907 8.701 ( 1.261 0.000 -0.595) 1.394 8.744 ( 1.682 0.000 2.473) 2.991 8.769 ( 1.572 0.000 -0.339) 1.608 8.914 ( 2.027 0.000 1.999) 2.847 9.008 ( -2.024 0.000 -4.842) 5.248 9.038 ( -5.667 0.000 -0.510) 5.690 9.143 ( 3.853 0.000 -1.020) 3.986 9.198 ( 0.877 0.000 -1.338) 1.599 9.215 ( -3.156 0.000 -7.534) 8.169 9.340 ( 2.077 0.000 -5.653) 6.022 9.494 ( 5.228 0.000 0.177) 5.231 9.538 ( 2.144 0.000 -2.656) 3.413 9.680 ( 2.224 0.000 -0.062) 2.225 9.699 ( 4.297 0.000 5.364) 6.873 9.740 ( -4.774 0.000 1.670) 5.057 9.831 ( -6.519 0.000 2.567) 7.006 9.980 ( -2.005 0.000 2.455) 3.170 10.113 ( 1.128 0.000 0.346) 1.180 10.130 ( -0.987 0.000 2.723) 2.897 10.284 ( 0.641 0.000 2.117) 2.212 10.356 ( -0.224 0.000 2.342) 2.353 10.488 ( 1.415 0.000 1.202) 1.857 10.520 ( 1.294 0.000 1.239) 1.792 10.536 ( 1.043 0.000 3.277) 3.439 10.622 ( -2.885 0.000 3.938) 4.882 10.700 ( -1.924 0.000 3.479) 3.975 10.806 ( -1.899 0.000 -5.020) 5.367 10.816 ( -2.514 0.000 -3.211) 4.078 10.945 ( -0.083 0.000 -2.443) 2.444 11.020 ( -3.049 0.000 -0.282) 3.062 11.033 ( 0.111 0.000 2.412) 2.415 11.066 ( -0.083 0.000 -3.126) 3.127 11.091 ( -3.724 0.000 2.125) 4.288 11.213 ( 2.620 0.000 0.760) 2.728 11.282 ( 6.319 0.000 -3.666) 7.305 11.338 ( 7.930 0.000 -4.793) 9.266 11.416 ( -5.515 0.000 1.914) 5.838 11.458 ( -7.100 0.000 2.294) 7.461 11.763 ( -10.935 0.000 -0.255) 10.938 11.812 ( -7.338 0.000 -1.056) 7.414 11.877 ( -2.578 0.000 2.387) 3.513 11.887 ( 5.467 0.000 -0.961) 5.551 11.948 ( -3.954 0.000 0.305) 3.966 11.952 ( -0.929 0.000 1.200) 1.518 12.020 ( 2.668 0.000 0.117) 2.670 12.031 ( 3.366 0.000 0.506) 3.404 12.136 ( 0.021 0.000 -0.356) 0.356 12.141 ( 6.788 0.000 -0.767) 6.831 12.177 ( -1.751 0.000 -1.884) 2.572 12.221 ( 5.029 0.000 0.811) 5.094 12.251 ( -0.087 0.000 -1.960) 1.962 12.316 ( -0.051 0.000 0.458) 0.461 12.416 ( 2.111 0.000 2.101) 2.978 12.503 ( 1.280 0.000 -4.670) 4.842 12.535 ( 4.916 0.000 -3.755) 6.186 12.566 ( -4.098 0.000 4.597) 6.158 12.603 ( -4.700 0.000 3.693) 5.977 12.661 ( 0.384 0.000 0.175) 0.422 12.799 ( 0.579 0.000 -3.327) 3.377 12.825 ( 2.172 0.000 -0.781) 2.309 12.829 ( -1.340 0.000 -0.113) 1.345 12.894 ( -0.142 0.000 -5.203) 5.205 13.016 ( 2.631 0.000 -3.131) 4.090 13.108 ( -3.325 0.000 1.989) 3.874 13.112 ( 4.886 0.000 -3.115) 5.795 13.233 ( 3.325 0.000 -3.825) 5.068 13.234 ( 3.165 0.000 -8.720) 9.277 13.325 ( 6.382 0.000 -0.888) 6.443 13.355 ( 1.156 0.000 4.330) 4.482 13.403 ( -1.188 0.000 7.201) 7.298 13.586 ( 0.015 0.000 8.148) 8.148 13.679 ( -3.027 0.000 -5.023) 5.865 13.699 ( -0.303 0.000 -5.874) 5.882 13.747 ( 1.488 0.000 -1.201) 1.912 13.847 ( -0.188 0.000 1.353) 1.366 14.010 ( -3.977 0.000 10.671) 11.388 14.056 ( -3.915 0.000 8.798) 9.630 14.202 ( 2.723 0.000 -8.206) 8.646 14.366 ( -4.895 0.000 1.546) 5.133 14.490 ( 0.840 0.000 1.084) 1.372 14.609 ( 3.200 0.000 6.513) 7.257 14.695 ( 1.226 0.000 -6.133) 6.254 14.799 ( -0.368 0.000 5.294) 5.307 14.825 ( -2.874 0.000 -0.599) 2.936 14.845 ( 0.667 0.000 -3.847) 3.905 15.161 ( -0.129 0.000 -5.025) 5.026 ======================= Grid point 51 (22/69) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -21.974 0.000 3.539) 22.257 1.768 ( -29.893 0.000 -7.938) 30.929 2.271 ( 1.706 0.000 -8.487) 8.657 2.338 ( -9.295 0.000 -2.806) 9.709 2.531 ( -9.694 0.000 -2.478) 10.006 2.580 ( -6.572 0.000 -0.543) 6.594 2.584 ( -10.973 0.000 -0.813) 11.003 2.688 ( -12.230 0.000 -4.420) 13.004 2.734 ( -10.894 0.000 -0.678) 10.915 2.840 ( -31.296 0.000 -1.471) 31.330 2.973 ( 10.127 0.000 -4.044) 10.905 2.983 ( -2.209 0.000 6.221) 6.602 3.001 ( -2.946 0.000 -8.523) 9.018 3.122 ( -0.786 0.000 8.348) 8.385 3.134 ( -4.625 0.000 -1.312) 4.807 3.168 ( -3.116 0.000 4.636) 5.586 3.238 ( -3.262 0.000 0.315) 3.277 3.245 ( -3.384 0.000 1.139) 3.571 3.307 ( -3.399 0.000 2.829) 4.422 3.394 ( 0.344 0.000 7.532) 7.540 3.432 ( 8.239 0.000 -0.884) 8.286 3.482 ( 2.831 0.000 2.370) 3.692 3.513 ( -3.234 0.000 2.235) 3.931 3.568 ( -1.536 0.000 4.991) 5.222 3.592 ( 4.561 0.000 0.271) 4.569 3.662 ( 2.530 0.000 0.056) 2.531 3.668 ( 4.447 0.000 0.760) 4.512 3.691 ( 1.267 0.000 3.156) 3.400 3.738 ( 0.781 0.000 3.517) 3.603 3.826 ( 2.623 0.000 -1.414) 2.980 3.880 ( 5.997 0.000 -0.299) 6.004 3.888 ( -3.037 0.000 -6.106) 6.819 3.968 ( 0.255 0.000 0.176) 0.310 3.989 ( 3.594 0.000 -1.573) 3.923 4.044 ( -0.688 0.000 1.396) 1.556 4.044 ( -0.300 0.000 -2.368) 2.387 4.088 ( -1.152 0.000 0.012) 1.152 4.128 ( 2.574 0.000 -0.138) 2.578 4.204 ( -5.945 0.000 3.164) 6.735 4.277 ( 0.793 0.000 0.362) 0.872 4.284 ( -2.096 0.000 -1.566) 2.617 4.317 ( 3.286 0.000 0.990) 3.432 4.355 ( 0.311 0.000 -3.397) 3.411 4.372 ( 6.259 0.000 0.706) 6.298 4.377 ( 0.667 0.000 -6.687) 6.720 4.424 ( -1.375 0.000 -5.085) 5.268 4.491 ( 4.611 0.000 0.061) 4.611 4.553 ( 0.443 0.000 -3.110) 3.142 4.583 ( 5.331 0.000 1.247) 5.475 4.629 ( -7.906 0.000 7.685) 11.025 4.684 ( 5.611 0.000 0.163) 5.613 4.701 ( 5.972 0.000 -1.754) 6.225 4.760 ( 5.905 0.000 -2.604) 6.454 4.802 ( 0.717 0.000 3.583) 3.654 4.818 ( -1.525 0.000 -1.164) 1.918 4.869 ( -1.580 0.000 2.311) 2.799 4.925 ( 0.044 0.000 0.797) 0.798 4.928 ( -0.646 0.000 0.570) 0.861 5.008 ( -2.610 0.000 -0.397) 2.640 5.095 ( 1.466 0.000 0.058) 1.468 5.156 ( -0.606 0.000 2.250) 2.330 5.177 ( 3.815 0.000 4.192) 5.668 5.193 ( 0.338 0.000 0.329) 0.472 5.204 ( -2.057 0.000 -1.761) 2.708 5.240 ( 1.991 0.000 1.042) 2.247 5.250 ( 1.072 0.000 -1.718) 2.025 5.361 ( -0.889 0.000 0.683) 1.121 5.391 ( 0.685 0.000 -0.267) 0.735 5.507 ( 0.720 0.000 0.484) 0.868 5.528 ( 0.760 0.000 -1.515) 1.695 5.533 ( -1.983 0.000 -0.457) 2.035 5.632 ( -0.482 0.000 -1.014) 1.123 6.048 ( -5.381 0.000 -0.322) 5.391 6.089 ( -3.816 0.000 0.146) 3.819 6.140 ( -0.848 0.000 0.801) 1.166 6.178 ( -1.987 0.000 0.958) 2.206 6.402 ( 2.916 0.000 2.357) 3.749 6.455 ( 2.884 0.000 2.986) 4.151 6.492 ( 1.473 0.000 -0.999) 1.780 6.551 ( 4.179 0.000 -2.396) 4.817 6.645 ( 3.251 0.000 -2.082) 3.860 6.813 ( 5.563 0.000 -2.847) 6.249 7.021 ( -1.935 0.000 1.760) 2.616 7.196 ( -1.745 0.000 -0.130) 1.750 7.252 ( 2.216 0.000 -2.229) 3.143 7.261 ( 1.431 0.000 3.713) 3.980 7.448 ( -1.476 0.000 -0.194) 1.489 7.481 ( 1.810 0.000 0.818) 1.986 7.526 ( 2.368 0.000 3.932) 4.590 7.606 ( 5.612 0.000 -1.383) 5.780 7.615 ( -3.906 0.000 -2.650) 4.720 7.675 ( -1.713 0.000 -2.209) 2.796 7.851 ( -3.079 0.000 -3.855) 4.934 7.896 ( -4.845 0.000 -1.228) 4.998 7.995 ( 3.178 0.000 0.102) 3.179 8.105 ( 2.791 0.000 0.574) 2.849 8.181 ( 2.497 0.000 -0.916) 2.659 8.191 ( -1.229 0.000 1.646) 2.054 8.236 ( -1.288 0.000 4.594) 4.771 8.261 ( 1.189 0.000 -0.268) 1.219 8.322 ( 5.975 0.000 3.843) 7.104 8.422 ( 0.222 0.000 -2.932) 2.940 8.496 ( -1.772 0.000 3.001) 3.485 8.593 ( 3.155 0.000 0.847) 3.267 8.626 ( -0.009 0.000 1.351) 1.351 8.727 ( 0.706 0.000 2.610) 2.704 8.821 ( 5.132 0.000 -1.046) 5.238 8.836 ( 5.728 0.000 2.106) 6.103 8.870 ( 10.103 0.000 2.790) 10.481 8.920 ( -2.767 0.000 -4.886) 5.616 8.946 ( -1.284 0.000 -0.254) 1.309 8.960 ( 1.071 0.000 2.649) 2.857 9.108 ( -2.074 0.000 -5.425) 5.808 9.195 ( 0.011 0.000 -1.186) 1.186 9.198 ( 3.783 0.000 -3.621) 5.237 9.352 ( 3.075 0.000 -2.394) 3.897 9.522 ( -1.447 0.000 -3.233) 3.542 9.539 ( 1.547 0.000 -4.900) 5.139 9.689 ( -6.425 0.000 2.247) 6.807 9.703 ( -0.874 0.000 4.245) 4.334 9.773 ( 2.698 0.000 -0.099) 2.699 9.803 ( 2.357 0.000 4.812) 5.359 9.971 ( -1.864 0.000 2.701) 3.282 10.121 ( 0.071 0.000 -1.500) 1.502 10.138 ( -1.235 0.000 1.839) 2.215 10.293 ( -1.766 0.000 1.318) 2.203 10.339 ( -0.949 0.000 1.387) 1.681 10.471 ( -5.540 0.000 2.584) 6.113 10.528 ( -1.754 0.000 -2.522) 3.072 10.590 ( 0.017 0.000 3.171) 3.172 10.647 ( 1.517 0.000 3.438) 3.758 10.658 ( -5.143 0.000 3.506) 6.224 10.710 ( -6.545 0.000 -4.574) 7.985 10.757 ( -0.185 0.000 -2.629) 2.636 10.886 ( -4.339 0.000 0.184) 4.343 10.962 ( -5.182 0.000 -0.128) 5.183 10.976 ( -0.432 0.000 -2.385) 2.424 11.054 ( -1.437 0.000 3.597) 3.873 11.096 ( 1.572 0.000 -0.354) 1.611 11.258 ( 2.102 0.000 -0.812) 2.253 11.288 ( -3.241 0.000 1.253) 3.475 11.342 ( -6.443 0.000 4.248) 7.717 11.365 ( -3.046 0.000 -0.656) 3.116 11.408 ( 1.135 0.000 -4.525) 4.665 11.639 ( -0.494 0.000 -2.441) 2.490 11.674 ( -3.422 0.000 -2.208) 4.073 11.840 ( -4.091 0.000 2.174) 4.633 11.858 ( -3.272 0.000 -2.545) 4.145 11.947 ( -2.233 0.000 4.089) 4.659 11.958 ( -1.251 0.000 4.526) 4.696 12.087 ( 2.717 0.000 -2.437) 3.650 12.115 ( 2.346 0.000 -1.067) 2.577 12.143 ( 6.880 0.000 -1.981) 7.159 12.147 ( 1.456 0.000 -1.736) 2.266 12.211 ( 2.471 0.000 -4.308) 4.966 12.266 ( 3.256 0.000 0.894) 3.377 12.309 ( 1.692 0.000 1.148) 2.045 12.324 ( 2.557 0.000 0.208) 2.565 12.465 ( 0.215 0.000 -3.783) 3.789 12.485 ( 1.574 0.000 2.242) 2.739 12.564 ( -1.640 0.000 5.397) 5.641 12.566 ( -0.037 0.000 -1.057) 1.058 12.585 ( 1.645 0.000 2.480) 2.976 12.665 ( -0.977 0.000 2.169) 2.379 12.777 ( 2.327 0.000 -3.740) 4.405 12.806 ( -0.999 0.000 -0.484) 1.110 12.858 ( 2.160 0.000 -5.607) 6.008 12.869 ( 1.450 0.000 -0.409) 1.507 13.010 ( -2.357 0.000 -3.669) 4.361 13.064 ( 1.695 0.000 -2.966) 3.416 13.127 ( 0.296 0.000 -5.244) 5.252 13.225 ( 0.790 0.000 -2.788) 2.897 13.231 ( 0.854 0.000 -2.651) 2.785 13.361 ( -2.134 0.000 2.710) 3.450 13.434 ( 1.412 0.000 -4.689) 4.897 13.442 ( 0.881 0.000 4.811) 4.891 13.603 ( 2.517 0.000 -5.149) 5.732 13.653 ( 4.302 0.000 -2.738) 5.099 13.695 ( 0.745 0.000 12.370) 12.392 13.856 ( -0.321 0.000 1.753) 1.782 13.885 ( 11.001 0.000 0.289) 11.004 14.026 ( -3.863 0.000 9.250) 10.024 14.053 ( -3.887 0.000 6.302) 7.404 14.194 ( 2.439 0.000 -6.449) 6.895 14.316 ( -2.645 0.000 4.617) 5.321 14.511 ( 0.126 0.000 0.427) 0.445 14.656 ( 0.161 0.000 -4.034) 4.037 14.709 ( 1.941 0.000 5.344) 5.685 14.763 ( -2.356 0.000 -2.282) 3.280 14.766 ( -1.606 0.000 -4.957) 5.211 14.861 ( -1.307 0.000 4.881) 5.053 15.096 ( -1.802 0.000 -6.070) 6.332 ======================= Grid point 52 (23/69) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -27.147 0.000 8.775) 28.530 1.173 ( -32.684 0.000 -1.854) 32.737 1.948 ( -45.965 0.000 6.353) 46.402 2.079 ( -14.652 0.000 -1.916) 14.777 2.250 ( -2.655 0.000 -6.362) 6.894 2.379 ( -13.686 0.000 0.026) 13.686 2.467 ( -9.810 0.000 -4.110) 10.636 2.507 ( -4.708 0.000 -1.000) 4.813 2.517 ( -6.071 0.000 -1.400) 6.231 2.580 ( -4.117 0.000 2.297) 4.714 2.842 ( -1.297 0.000 -16.538) 16.589 2.860 ( -8.726 0.000 -6.207) 10.709 3.057 ( -0.701 0.000 0.841) 1.095 3.106 ( -5.593 0.000 11.517) 12.803 3.114 ( -6.464 0.000 8.879) 10.983 3.170 ( 0.523 0.000 -2.081) 2.146 3.221 ( -0.336 0.000 -0.393) 0.517 3.241 ( -0.888 0.000 1.126) 1.434 3.298 ( -2.520 0.000 8.695) 9.053 3.412 ( 0.155 0.000 -3.020) 3.024 3.493 ( -3.452 0.000 6.072) 6.985 3.500 ( 2.805 0.000 -6.031) 6.652 3.561 ( 1.660 0.000 5.619) 5.859 3.601 ( -2.524 0.000 -0.473) 2.568 3.607 ( 2.378 0.000 2.951) 3.790 3.659 ( -1.872 0.000 -2.668) 3.260 3.745 ( 1.396 0.000 3.963) 4.201 3.748 ( 4.788 0.000 1.375) 4.982 3.789 ( 1.249 0.000 6.470) 6.590 3.822 ( -1.241 0.000 -0.769) 1.460 3.912 ( 6.401 0.000 -1.464) 6.566 3.932 ( -1.569 0.000 1.306) 2.042 3.967 ( 2.321 0.000 -2.785) 3.625 4.002 ( -0.184 0.000 -0.346) 0.392 4.019 ( -2.032 0.000 -1.427) 2.482 4.094 ( 6.366 0.000 -0.550) 6.389 4.100 ( 0.477 0.000 2.735) 2.776 4.148 ( -2.950 0.000 2.070) 3.603 4.175 ( 2.220 0.000 0.669) 2.318 4.243 ( 1.012 0.000 -4.738) 4.845 4.300 ( 2.032 0.000 -2.794) 3.454 4.320 ( 3.525 0.000 -2.313) 4.216 4.363 ( 1.493 0.000 1.663) 2.234 4.374 ( 2.087 0.000 -4.906) 5.331 4.413 ( 3.068 0.000 -0.421) 3.096 4.524 ( 8.113 0.000 -1.554) 8.260 4.562 ( 3.987 0.000 -5.163) 6.524 4.578 ( -3.164 0.000 3.795) 4.941 4.594 ( 6.670 0.000 2.645) 7.176 4.684 ( 3.432 0.000 -0.274) 3.443 4.730 ( -1.905 0.000 -2.707) 3.311 4.767 ( 3.774 0.000 -0.374) 3.792 4.788 ( 0.252 0.000 -0.091) 0.267 4.795 ( -0.806 0.000 2.496) 2.623 4.860 ( 5.508 0.000 -1.499) 5.709 4.860 ( -0.653 0.000 0.788) 1.023 4.909 ( -4.508 0.000 -0.055) 4.509 4.931 ( -0.403 0.000 -1.354) 1.413 4.943 ( 0.833 0.000 0.185) 0.853 5.090 ( -2.060 0.000 1.269) 2.419 5.144 ( -4.041 0.000 1.087) 4.184 5.155 ( -0.265 0.000 -0.666) 0.717 5.204 ( -0.364 0.000 0.466) 0.591 5.223 ( -0.481 0.000 -1.961) 2.019 5.240 ( -1.591 0.000 0.016) 1.591 5.305 ( 3.738 0.000 2.000) 4.240 5.344 ( -2.576 0.000 2.212) 3.395 5.403 ( -0.171 0.000 1.470) 1.480 5.491 ( -0.192 0.000 -2.443) 2.450 5.536 ( 0.943 0.000 -0.635) 1.137 5.544 ( 1.700 0.000 1.924) 2.567 5.631 ( 1.072 0.000 -0.542) 1.202 5.949 ( -5.700 0.000 0.423) 5.716 6.047 ( -1.672 0.000 0.853) 1.877 6.111 ( -2.779 0.000 -0.048) 2.779 6.161 ( -0.727 0.000 0.509) 0.887 6.467 ( 2.762 0.000 0.762) 2.865 6.530 ( 3.907 0.000 -0.715) 3.972 6.536 ( 2.613 0.000 6.012) 6.555 6.602 ( 4.312 0.000 -3.652) 5.651 6.693 ( 3.366 0.000 0.273) 3.377 6.894 ( 5.835 0.000 -2.262) 6.258 6.982 ( -3.613 0.000 0.855) 3.713 7.177 ( 0.024 0.000 -0.890) 0.890 7.262 ( 2.160 0.000 -4.177) 4.702 7.292 ( -0.060 0.000 0.474) 0.478 7.441 ( -1.067 0.000 2.016) 2.281 7.492 ( -1.488 0.000 -1.122) 1.863 7.523 ( -2.274 0.000 -0.238) 2.286 7.610 ( -3.181 0.000 -0.585) 3.234 7.623 ( 1.577 0.000 6.025) 6.227 7.710 ( 5.785 0.000 -2.165) 6.177 7.772 ( -6.270 0.000 -1.095) 6.365 7.826 ( 2.915 0.000 -0.917) 3.056 8.078 ( 3.287 0.000 0.157) 3.291 8.151 ( 2.691 0.000 0.488) 2.734 8.205 ( 0.957 0.000 1.956) 2.177 8.216 ( 1.809 0.000 0.326) 1.838 8.291 ( 4.205 0.000 1.902) 4.615 8.294 ( 3.875 0.000 -0.196) 3.880 8.410 ( 1.154 0.000 -3.145) 3.350 8.450 ( 4.637 0.000 2.422) 5.231 8.507 ( 0.733 0.000 1.469) 1.642 8.639 ( 0.396 0.000 0.674) 0.782 8.686 ( 5.164 0.000 5.308) 7.406 8.798 ( 3.870 0.000 5.560) 6.774 8.799 ( -3.517 0.000 -6.045) 6.994 8.848 ( -4.051 0.000 0.791) 4.127 8.900 ( 4.050 0.000 -8.462) 9.381 8.931 ( 1.586 0.000 0.407) 1.637 9.017 ( 3.617 0.000 3.589) 5.096 9.066 ( 3.532 0.000 -1.699) 3.919 9.134 ( 6.805 0.000 -1.691) 7.012 9.185 ( 0.549 0.000 -1.202) 1.321 9.231 ( 5.594 0.000 2.598) 6.168 9.352 ( -2.977 0.000 -5.300) 6.078 9.468 ( -2.662 0.000 -1.495) 3.053 9.480 ( 0.226 0.000 -1.904) 1.917 9.614 ( -1.779 0.000 -2.509) 3.076 9.746 ( 1.103 0.000 0.459) 1.195 9.785 ( -3.299 0.000 1.833) 3.774 9.861 ( -1.456 0.000 6.401) 6.565 9.962 ( -1.198 0.000 1.415) 1.854 10.084 ( -1.833 0.000 -3.014) 3.527 10.132 ( 0.826 0.000 0.405) 0.919 10.208 ( -11.776 0.000 1.710) 11.900 10.313 ( -4.685 0.000 -9.060) 10.199 10.363 ( -5.205 0.000 0.072) 5.205 10.466 ( -6.050 0.000 3.271) 6.878 10.505 ( -1.191 0.000 1.654) 2.038 10.595 ( -4.127 0.000 0.779) 4.200 10.640 ( -2.234 0.000 -1.362) 2.617 10.674 ( 0.353 0.000 3.960) 3.976 10.809 ( 3.721 0.000 2.926) 4.733 10.852 ( 0.183 0.000 2.107) 2.115 10.875 ( -4.441 0.000 -1.466) 4.677 10.945 ( -0.298 0.000 -3.556) 3.568 11.059 ( -1.328 0.000 -0.137) 1.335 11.109 ( 0.663 0.000 -0.373) 0.761 11.231 ( -4.397 0.000 -0.642) 4.443 11.248 ( -3.634 0.000 4.279) 5.614 11.284 ( -5.342 0.000 2.024) 5.713 11.306 ( -1.774 0.000 1.738) 2.484 11.345 ( -3.343 0.000 0.026) 3.343 11.669 ( 4.324 0.000 -5.094) 6.682 11.670 ( 5.999 0.000 -5.752) 8.311 11.782 ( -2.261 0.000 -3.085) 3.824 11.804 ( -2.885 0.000 4.593) 5.424 11.930 ( -3.078 0.000 3.083) 4.356 11.953 ( -3.365 0.000 4.418) 5.554 12.071 ( -0.661 0.000 -2.243) 2.338 12.131 ( 2.202 0.000 -1.542) 2.688 12.171 ( 1.493 0.000 -4.651) 4.885 12.206 ( 1.534 0.000 -0.842) 1.750 12.262 ( 4.543 0.000 -0.291) 4.553 12.291 ( -0.157 0.000 -1.612) 1.619 12.321 ( 1.087 0.000 1.514) 1.864 12.402 ( 4.285 0.000 0.395) 4.303 12.505 ( 0.330 0.000 2.011) 2.038 12.517 ( 6.182 0.000 2.451) 6.650 12.564 ( 1.673 0.000 -2.785) 3.249 12.573 ( -2.019 0.000 3.273) 3.846 12.651 ( 2.411 0.000 3.122) 3.945 12.683 ( 0.813 0.000 2.774) 2.891 12.767 ( -2.077 0.000 -1.027) 2.317 12.820 ( 4.395 0.000 -2.584) 5.099 12.835 ( -3.992 0.000 -1.586) 4.295 12.903 ( 6.134 0.000 -2.269) 6.540 12.915 ( -3.433 0.000 -2.997) 4.557 13.047 ( -3.929 0.000 -4.402) 5.900 13.107 ( 5.295 0.000 -2.632) 5.913 13.188 ( -2.112 0.000 -2.153) 3.016 13.222 ( 0.476 0.000 -2.419) 2.465 13.299 ( -4.522 0.000 -3.950) 6.004 13.417 ( 4.058 0.000 -6.415) 7.591 13.448 ( 0.106 0.000 -1.563) 1.567 13.651 ( 3.768 0.000 0.382) 3.788 13.781 ( 7.704 0.000 2.376) 8.062 13.835 ( 0.428 0.000 13.601) 13.608 13.869 ( -1.090 0.000 5.923) 6.022 14.004 ( -1.582 0.000 5.184) 5.420 14.038 ( -2.876 0.000 4.447) 5.296 14.076 ( 1.665 0.000 0.161) 1.673 14.188 ( 5.484 0.000 -0.546) 5.511 14.369 ( 3.470 0.000 3.342) 4.817 14.491 ( -1.516 0.000 -1.353) 2.031 14.646 ( 0.763 0.000 -0.773) 1.086 14.685 ( -2.127 0.000 -4.820) 5.268 14.719 ( 0.468 0.000 -3.406) 3.438 14.768 ( 0.276 0.000 3.067) 3.079 14.855 ( -4.170 0.000 4.234) 5.943 14.996 ( -3.289 0.000 -6.638) 7.409 ======================= Grid point 53 (24/69) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -25.274 0.000 22.253) 33.675 0.686 ( -27.515 0.000 18.865) 33.361 1.228 ( -48.652 0.000 32.168) 58.325 1.863 ( -9.410 0.000 2.381) 9.706 2.172 ( -3.350 0.000 -0.469) 3.383 2.206 ( -5.451 0.000 -0.920) 5.528 2.322 ( -2.468 0.000 -3.144) 3.997 2.402 ( -4.359 0.000 -0.373) 4.375 2.433 ( -1.240 0.000 -5.081) 5.230 2.500 ( -4.247 0.000 -8.199) 9.234 2.659 ( -6.470 0.000 -8.495) 10.678 2.733 ( 3.438 0.000 -11.692) 12.186 2.984 ( -3.683 0.000 -3.274) 4.928 3.082 ( -5.039 0.000 -6.753) 8.426 3.100 ( -4.993 0.000 6.556) 8.241 3.147 ( -0.295 0.000 2.268) 2.287 3.201 ( 1.491 0.000 4.004) 4.272 3.202 ( -4.450 0.000 4.402) 6.260 3.363 ( -2.722 0.000 11.515) 11.832 3.401 ( -1.083 0.000 -4.324) 4.457 3.455 ( -0.431 0.000 4.981) 4.999 3.516 ( 2.457 0.000 1.183) 2.727 3.556 ( -2.462 0.000 1.187) 2.733 3.591 ( -0.641 0.000 1.309) 1.458 3.666 ( 1.646 0.000 3.295) 3.683 3.698 ( 3.486 0.000 2.912) 4.542 3.762 ( -2.633 0.000 -0.629) 2.707 3.799 ( -0.993 0.000 2.807) 2.978 3.820 ( 1.203 0.000 -0.222) 1.223 3.889 ( -2.545 0.000 -2.624) 3.655 3.896 ( 3.102 0.000 5.569) 6.375 3.921 ( -1.202 0.000 1.101) 1.630 3.947 ( 0.600 0.000 -2.545) 2.615 3.992 ( -2.364 0.000 -2.804) 3.667 4.074 ( -2.940 0.000 -2.908) 4.135 4.087 ( 5.407 0.000 3.355) 6.363 4.123 ( 0.700 0.000 -0.889) 1.132 4.199 ( 5.801 0.000 1.368) 5.960 4.236 ( 3.684 0.000 -1.369) 3.930 4.276 ( 5.042 0.000 -5.400) 7.388 4.283 ( -0.586 0.000 -3.475) 3.524 4.329 ( 0.979 0.000 -3.652) 3.781 4.401 ( 1.189 0.000 1.894) 2.236 4.427 ( 4.564 0.000 0.089) 4.565 4.464 ( 1.724 0.000 2.634) 3.147 4.580 ( 3.083 0.000 -4.864) 5.758 4.597 ( 2.642 0.000 -1.591) 3.084 4.607 ( 3.764 0.000 -2.620) 4.586 4.667 ( -1.841 0.000 0.830) 2.019 4.669 ( 1.019 0.000 -5.039) 5.141 4.716 ( 1.549 0.000 -0.584) 1.656 4.763 ( -2.820 0.000 2.808) 3.980 4.791 ( -0.730 0.000 0.989) 1.229 4.848 ( 2.380 0.000 1.470) 2.798 4.878 ( 1.288 0.000 0.703) 1.467 4.898 ( 1.877 0.000 0.496) 1.942 4.908 ( 3.195 0.000 -0.720) 3.276 4.933 ( 1.926 0.000 -0.740) 2.064 4.978 ( 2.946 0.000 0.323) 2.963 5.076 ( 0.250 0.000 0.294) 0.386 5.080 ( -3.484 0.000 0.045) 3.484 5.109 ( -3.071 0.000 -1.666) 3.493 5.168 ( -1.422 0.000 -1.655) 2.182 5.186 ( -2.935 0.000 0.559) 2.988 5.233 ( -1.932 0.000 2.941) 3.519 5.334 ( -2.057 0.000 6.099) 6.437 5.337 ( -0.048 0.000 -1.132) 1.133 5.407 ( -1.975 0.000 3.994) 4.455 5.500 ( 2.499 0.000 -0.924) 2.664 5.541 ( 0.525 0.000 -0.756) 0.921 5.590 ( 1.782 0.000 0.669) 1.903 5.645 ( 0.979 0.000 -1.283) 1.614 5.873 ( -3.748 0.000 1.467) 4.025 6.035 ( -0.859 0.000 0.588) 1.041 6.064 ( -1.779 0.000 -1.121) 2.102 6.145 ( -0.730 0.000 -1.342) 1.527 6.507 ( 1.453 0.000 -0.043) 1.454 6.591 ( 2.368 0.000 -1.646) 2.884 6.648 ( 5.511 0.000 -2.479) 6.043 6.693 ( 8.495 0.000 11.116) 13.990 6.764 ( 3.031 0.000 2.594) 3.989 6.922 ( -4.233 0.000 1.462) 4.478 6.961 ( 3.752 0.000 -1.760) 4.144 7.164 ( 0.532 0.000 -4.857) 4.886 7.258 ( -0.363 0.000 -1.919) 1.953 7.288 ( 0.660 0.000 -1.239) 1.403 7.415 ( -3.104 0.000 1.079) 3.286 7.430 ( -1.237 0.000 -0.635) 1.391 7.523 ( -0.003 0.000 1.025) 1.025 7.577 ( -1.189 0.000 0.072) 1.191 7.674 ( -2.079 0.000 2.494) 3.247 7.679 ( -2.651 0.000 1.933) 3.281 7.745 ( 1.189 0.000 -0.629) 1.346 7.876 ( 2.577 0.000 -2.536) 3.616 8.110 ( 0.712 0.000 1.317) 1.497 8.181 ( -0.956 0.000 0.216) 0.980 8.248 ( 0.887 0.000 1.370) 1.632 8.320 ( 8.780 0.000 3.510) 9.455 8.367 ( 3.658 0.000 -6.081) 7.096 8.371 ( 3.427 0.000 -0.506) 3.465 8.419 ( 4.967 0.000 -2.929) 5.767 8.538 ( 4.562 0.000 3.932) 6.023 8.542 ( 1.831 0.000 1.011) 2.091 8.634 ( -0.928 0.000 0.852) 1.259 8.645 ( -8.141 0.000 -8.799) 11.988 8.760 ( -1.688 0.000 -10.498) 10.633 8.790 ( -3.069 0.000 1.328) 3.344 8.862 ( -3.028 0.000 -2.831) 4.145 8.951 ( 2.119 0.000 7.541) 7.833 8.962 ( 11.966 0.000 6.538) 13.636 9.104 ( -1.215 0.000 4.690) 4.844 9.118 ( -0.900 0.000 -3.122) 3.249 9.146 ( -4.737 0.000 -3.968) 6.179 9.166 ( 4.582 0.000 2.260) 5.109 9.272 ( 4.047 0.000 0.515) 4.079 9.425 ( -0.624 0.000 -4.840) 4.880 9.438 ( 7.592 0.000 7.547) 10.705 9.478 ( 0.228 0.000 -1.662) 1.677 9.586 ( -0.753 0.000 2.102) 2.232 9.672 ( -3.524 0.000 -7.681) 8.451 9.739 ( -2.628 0.000 1.420) 2.987 9.866 ( -5.536 0.000 7.348) 9.200 9.919 ( -7.799 0.000 3.126) 8.402 9.985 ( -6.692 0.000 -4.387) 8.002 10.046 ( -3.301 0.000 2.329) 4.040 10.137 ( -2.214 0.000 -2.731) 3.515 10.173 ( -4.183 0.000 -11.249) 12.001 10.196 ( -2.534 0.000 -1.368) 2.879 10.463 ( -2.217 0.000 0.114) 2.220 10.468 ( -1.203 0.000 -4.461) 4.620 10.592 ( -2.901 0.000 -2.506) 3.834 10.602 ( 1.543 0.000 2.011) 2.535 10.705 ( -0.032 0.000 3.143) 3.143 10.797 ( -3.527 0.000 1.876) 3.995 10.845 ( 2.012 0.000 0.149) 2.017 10.898 ( -0.345 0.000 -1.768) 1.801 10.996 ( 6.793 0.000 5.905) 9.001 11.011 ( -1.171 0.000 -3.621) 3.806 11.113 ( 0.063 0.000 0.430) 0.435 11.135 ( -4.852 0.000 -0.452) 4.873 11.198 ( -6.126 0.000 3.722) 7.168 11.268 ( -1.859 0.000 1.059) 2.139 11.268 ( -0.445 0.000 3.589) 3.616 11.337 ( -0.946 0.000 2.874) 3.026 11.687 ( 1.443 0.000 -4.797) 5.009 11.688 ( 3.431 0.000 -5.698) 6.652 11.757 ( 2.732 0.000 -4.091) 4.920 11.789 ( -2.512 0.000 -1.682) 3.023 11.930 ( -1.244 0.000 4.239) 4.417 11.930 ( -3.017 0.000 3.586) 4.686 12.057 ( 0.696 0.000 3.432) 3.502 12.126 ( -1.649 0.000 -1.849) 2.477 12.162 ( 2.672 0.000 -1.456) 3.043 12.207 ( -1.311 0.000 -0.547) 1.420 12.286 ( -1.058 0.000 2.304) 2.536 12.314 ( 3.345 0.000 1.006) 3.493 12.361 ( 1.727 0.000 -1.479) 2.274 12.459 ( 1.686 0.000 1.746) 2.427 12.549 ( 2.049 0.000 -0.539) 2.118 12.568 ( -1.140 0.000 2.104) 2.393 12.594 ( 4.383 0.000 -1.157) 4.533 12.621 ( -0.455 0.000 0.048) 0.457 12.687 ( 1.262 0.000 -1.931) 2.307 12.718 ( 3.992 0.000 1.938) 4.437 12.769 ( 0.023 0.000 5.959) 5.960 12.771 ( -1.824 0.000 0.426) 1.873 12.829 ( -0.690 0.000 -1.596) 1.739 12.878 ( -0.414 0.000 0.676) 0.793 12.908 ( -5.911 0.000 -0.536) 5.935 13.020 ( 6.989 0.000 -4.611) 8.373 13.131 ( -2.282 0.000 -1.437) 2.697 13.173 ( 4.259 0.000 -5.017) 6.581 13.188 ( -2.565 0.000 -5.834) 6.373 13.235 ( 4.225 0.000 -0.956) 4.332 13.430 ( 4.156 0.000 -7.562) 8.628 13.446 ( 2.497 0.000 -5.081) 5.661 13.717 ( 2.392 0.000 0.774) 2.514 13.902 ( 1.400 0.000 4.550) 4.760 13.910 ( 0.616 0.000 11.375) 11.391 13.941 ( -2.949 0.000 12.675) 13.013 14.009 ( -0.317 0.000 0.094) 0.331 14.039 ( -3.080 0.000 2.832) 4.184 14.065 ( 0.603 0.000 6.417) 6.445 14.347 ( 9.249 0.000 -0.511) 9.263 14.454 ( 3.685 0.000 0.228) 3.692 14.460 ( -0.945 0.000 -0.205) 0.967 14.624 ( -0.182 0.000 -3.149) 3.154 14.653 ( 1.375 0.000 -2.805) 3.124 14.714 ( 1.559 0.000 -2.340) 2.812 14.758 ( -5.879 0.000 3.436) 6.810 14.807 ( -2.771 0.000 1.536) 3.168 14.878 ( -3.403 0.000 -5.258) 6.263 ======================= Grid point 54 (25/69) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.526 18.509 24.782) 30.936 0.881 ( 0.459 21.769 24.409) 32.709 1.538 ( -4.702 31.209 40.506) 51.350 1.580 ( 0.895 -15.296 11.703) 19.280 1.860 ( 1.860 -27.815 5.872) 28.489 2.205 ( 4.258 2.572 -6.909) 8.514 2.324 ( 1.127 -2.691 -7.609) 8.150 2.361 ( -0.658 12.710 -2.443) 12.960 2.449 ( 3.564 6.393 -8.984) 11.588 2.508 ( -3.232 1.430 -10.996) 11.550 2.677 ( 0.974 5.361 -8.171) 9.821 2.799 ( 0.053 10.153 -3.724) 10.814 2.804 ( 1.182 -1.646 -8.177) 8.424 2.914 ( 0.904 -5.696 -8.165) 9.996 3.014 ( -1.720 -25.326 11.300) 27.786 3.083 ( -2.645 -1.428 2.015) 3.618 3.145 ( -0.593 -2.111 3.576) 4.195 3.203 ( -2.425 0.795 2.172) 3.351 3.302 ( -1.446 -4.915 3.106) 5.991 3.376 ( 1.531 2.608 11.073) 11.479 3.448 ( -0.991 -6.435 2.466) 6.962 3.482 ( -1.666 -1.791 -0.223) 2.456 3.583 ( 0.600 2.852 3.401) 4.478 3.638 ( 1.316 -3.361 -2.778) 4.555 3.666 ( 1.168 0.895 3.943) 4.209 3.706 ( -0.878 0.703 1.998) 2.293 3.720 ( 0.650 -0.347 -0.130) 0.748 3.768 ( -3.309 -0.267 -2.777) 4.328 3.793 ( 0.523 -1.592 -0.756) 1.838 3.875 ( -1.327 2.193 -3.509) 4.345 3.883 ( -0.702 -1.796 -0.529) 2.000 3.940 ( 2.860 -0.399 -3.836) 4.801 3.958 ( -1.156 1.861 -1.135) 2.468 4.027 ( -0.214 2.287 1.743) 2.883 4.044 ( 1.109 -0.380 -2.337) 2.614 4.106 ( -2.376 -0.698 -4.864) 5.458 4.144 ( -3.158 -2.022 0.804) 3.835 4.207 ( 2.668 -2.317 -0.590) 3.582 4.233 ( 0.521 -2.735 -4.229) 5.063 4.248 ( -0.602 -1.266 -1.853) 2.323 4.323 ( 1.354 4.977 0.771) 5.215 4.399 ( -1.479 1.946 -1.970) 3.140 4.428 ( -0.337 -3.555 -1.660) 3.938 4.450 ( 3.841 1.472 2.740) 4.943 4.519 ( 0.072 4.188 2.218) 4.739 4.569 ( 2.418 0.111 -3.800) 4.505 4.609 ( 1.414 -0.810 -2.709) 3.162 4.647 ( -1.831 1.552 -4.927) 5.480 4.680 ( 1.488 2.459 -3.037) 4.181 4.712 ( -3.571 -0.910 1.197) 3.875 4.724 ( -0.468 2.117 0.387) 2.203 4.760 ( -2.060 3.856 -2.022) 4.817 4.783 ( 1.527 0.999 0.888) 2.029 4.823 ( 0.358 -5.980 -0.845) 6.050 4.868 ( 0.594 2.036 -1.435) 2.561 4.919 ( 0.572 -1.069 0.757) 1.430 4.960 ( -3.295 0.491 2.546) 4.193 4.991 ( 1.882 2.632 0.863) 3.349 5.009 ( 3.364 -0.978 0.852) 3.605 5.021 ( -1.524 0.121 -0.996) 1.824 5.107 ( -0.809 4.753 -0.483) 4.845 5.141 ( -0.121 0.300 -0.642) 0.719 5.171 ( 0.002 1.078 3.171) 3.349 5.200 ( 0.717 0.860 2.814) 3.028 5.229 ( 1.509 2.541 0.214) 2.963 5.270 ( -1.644 -1.896 0.206) 2.518 5.362 ( -1.384 -2.625 3.737) 4.772 5.402 ( 0.100 -0.926 3.549) 3.669 5.497 ( 0.514 -2.570 0.532) 2.674 5.525 ( -0.163 -2.034 0.975) 2.261 5.619 ( -0.304 1.136 -1.360) 1.798 5.640 ( -0.077 0.033 -2.319) 2.321 5.881 ( -0.378 2.937 1.937) 3.538 6.001 ( -0.656 -2.403 0.362) 2.517 6.051 ( 0.160 1.599 -1.981) 2.550 6.112 ( 0.141 -1.026 -2.374) 2.590 6.507 ( -0.050 -0.679 -0.324) 0.754 6.529 ( -1.912 -2.503 -0.299) 3.164 6.711 ( -2.368 1.428 -0.899) 2.908 6.778 ( 0.005 -0.376 -1.399) 1.448 6.837 ( 1.404 0.348 2.606) 2.980 6.880 ( -4.345 -0.079 1.397) 4.564 7.038 ( 2.521 3.835 -1.422) 4.805 7.139 ( 2.842 -0.845 -4.480) 5.372 7.235 ( 0.235 -1.009 1.241) 1.617 7.280 ( -0.299 -2.439 0.502) 2.508 7.400 ( -1.177 2.208 -2.232) 3.353 7.459 ( 0.534 0.520 -3.328) 3.411 7.548 ( -0.613 0.327 -1.048) 1.258 7.549 ( -0.971 0.032 -1.783) 2.030 7.665 ( -1.470 0.058 3.135) 3.463 7.673 ( -0.977 0.353 2.963) 3.140 7.798 ( 0.697 3.017 -0.525) 3.140 7.878 ( 0.430 -0.405 -2.795) 2.856 8.116 ( -0.117 0.751 0.290) 0.814 8.196 ( -0.246 -1.024 -2.804) 2.995 8.264 ( -1.712 2.153 -0.942) 2.907 8.322 ( -0.012 -1.002 -0.295) 1.044 8.356 ( 2.593 -0.078 -1.316) 2.909 8.362 ( -3.001 -0.316 -2.628) 4.001 8.561 ( 4.407 0.405 -0.978) 4.532 8.575 ( -1.435 1.183 4.514) 4.882 8.615 ( -0.597 -0.652 0.085) 0.888 8.622 ( -1.845 -0.733 2.747) 3.389 8.687 ( 4.988 5.946 -1.439) 7.893 8.758 ( 3.021 1.325 -1.341) 3.560 8.777 ( 2.961 0.039 -2.480) 3.862 8.802 ( 2.025 -0.018 -1.200) 2.354 9.005 ( -5.432 1.309 -1.131) 5.700 9.048 ( 0.929 0.153 5.059) 5.146 9.072 ( -0.023 -1.246 -2.717) 2.989 9.132 ( 1.505 -0.308 2.056) 2.567 9.170 ( -0.325 -1.278 3.504) 3.744 9.203 ( 3.156 -1.246 0.967) 3.528 9.317 ( -0.246 -0.845 0.900) 1.259 9.362 ( -0.636 -7.377 4.169) 8.498 9.425 ( 0.095 1.297 2.645) 2.947 9.514 ( -1.119 -3.000 5.393) 6.272 9.584 ( 5.090 -1.292 2.177) 5.685 9.680 ( 1.506 -3.054 0.111) 3.408 9.730 ( -6.087 0.365 0.480) 6.117 9.746 ( 0.332 0.825 1.830) 2.035 9.890 ( -2.057 1.241 -1.988) 3.118 9.920 ( 1.495 1.527 0.914) 2.324 9.931 ( -0.173 0.776 0.319) 0.857 10.040 ( 1.790 -3.359 2.484) 4.545 10.197 ( 1.362 2.094 -2.359) 3.436 10.215 ( 2.887 3.307 -4.785) 6.494 10.386 ( -3.343 -2.152 -4.612) 6.089 10.408 ( -0.149 -1.379 -6.796) 6.936 10.491 ( -0.717 2.197 0.160) 2.316 10.571 ( -3.554 -0.244 -2.678) 4.457 10.788 ( -2.445 1.424 6.336) 6.939 10.818 ( -0.246 1.990 4.167) 4.624 10.880 ( -0.461 -0.918 3.246) 3.405 10.920 ( 3.122 0.824 -0.958) 3.368 10.960 ( 0.644 -1.986 -1.176) 2.396 10.987 ( -3.084 -0.656 -1.617) 3.543 11.046 ( -0.571 -2.365 -0.757) 2.548 11.106 ( 0.385 -2.447 -0.158) 2.482 11.161 ( -3.221 2.745 1.606) 4.527 11.261 ( -0.095 -3.471 4.797) 5.922 11.304 ( -1.112 0.496 2.863) 3.111 11.315 ( -1.982 -0.076 3.301) 3.851 11.691 ( 2.783 0.290 -3.290) 4.319 11.709 ( 2.700 0.182 -3.828) 4.688 11.731 ( 4.167 -0.145 -3.352) 5.350 11.757 ( 2.249 -0.622 -3.817) 4.474 11.883 ( -2.806 0.572 3.889) 4.829 11.923 ( -1.942 -0.473 2.533) 3.227 12.079 ( 1.134 -1.461 2.259) 2.920 12.105 ( 2.234 -1.440 -0.228) 2.668 12.203 ( -0.245 1.467 -0.698) 1.643 12.262 ( 1.342 -0.087 0.394) 1.402 12.319 ( -0.565 0.057 1.570) 1.670 12.396 ( 0.426 0.213 0.037) 0.478 12.433 ( 1.441 7.328 -4.757) 8.854 12.516 ( 1.217 0.259 3.233) 3.464 12.543 ( 1.217 0.209 -2.944) 3.192 12.560 ( -0.716 0.061 -0.957) 1.197 12.612 ( -0.883 1.833 0.890) 2.221 12.654 ( -0.881 -0.803 0.717) 1.391 12.695 ( -0.230 1.585 1.170) 1.984 12.729 ( -4.984 -0.244 0.550) 5.021 12.785 ( -2.095 -0.791 2.561) 3.402 12.797 ( -1.334 0.263 0.473) 1.440 12.816 ( 0.975 -0.625 0.605) 1.307 12.847 ( 1.151 -0.781 -0.212) 1.407 12.897 ( 1.286 1.541 2.728) 3.387 13.014 ( -0.541 -4.019 -1.235) 4.239 13.105 ( 2.481 -0.535 -2.952) 3.893 13.151 ( 2.291 -2.314 -6.983) 7.705 13.171 ( 4.881 3.441 -4.972) 7.771 13.297 ( 3.887 -0.901 -7.678) 8.653 13.376 ( 2.435 2.464 -4.242) 5.477 13.501 ( 0.870 1.494 -11.171) 11.304 13.724 ( 0.085 1.408 0.511) 1.500 13.842 ( -10.300 -0.070 8.906) 13.616 13.887 ( -6.578 -1.781 10.207) 12.273 13.924 ( 0.657 -4.910 -2.184) 5.414 14.016 ( -1.661 -0.536 5.565) 5.832 14.040 ( -3.395 -1.324 3.207) 4.855 14.189 ( -1.809 6.600 6.412) 9.378 14.388 ( 0.662 -3.640 2.799) 4.639 14.463 ( 0.562 1.490 -3.414) 3.767 14.498 ( 3.753 -0.458 -5.086) 6.337 14.600 ( -4.218 0.050 -0.161) 4.222 14.632 ( 0.254 -1.977 0.615) 2.086 14.722 ( -0.571 2.471 0.802) 2.660 14.774 ( 1.298 -0.032 -0.181) 1.311 14.777 ( 0.063 0.466 -0.333) 0.577 14.838 ( 5.232 -1.756 -0.933) 5.597 ======================= Grid point 55 (26/69) ======================= q-point: ( 0.11 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 11.963 20.882 19.573) 31.020 1.249 ( 17.124 14.591 22.614) 31.899 1.815 ( 13.953 -13.268 10.514) 21.938 2.010 ( 12.482 -7.690 22.140) 26.554 2.047 ( 12.933 -0.366 22.280) 25.764 2.248 ( 10.280 3.056 -13.284) 17.073 2.293 ( 5.897 0.701 -12.354) 13.708 2.357 ( 4.591 -2.015 -12.999) 13.932 2.390 ( 3.037 3.313 -2.001) 4.919 2.528 ( 6.615 6.764 2.374) 9.754 2.631 ( 2.413 5.528 -4.946) 7.800 2.747 ( 4.701 -7.305 -12.087) 14.885 2.843 ( 4.507 6.284 -4.839) 9.122 2.892 ( 3.878 7.882 -3.164) 9.337 3.059 ( 2.542 6.135 -7.079) 9.706 3.144 ( -2.801 -2.335 4.862) 6.078 3.175 ( 4.967 -21.852 12.345) 25.585 3.210 ( -0.240 -0.870 5.141) 5.219 3.297 ( -0.936 -2.732 1.745) 3.374 3.427 ( -1.353 -1.343 -0.831) 2.079 3.448 ( -4.044 4.695 7.325) 9.595 3.485 ( 1.387 -8.503 3.012) 9.127 3.597 ( -4.276 2.658 -1.401) 5.226 3.612 ( 0.394 -3.092 -0.161) 3.121 3.680 ( -3.407 -2.758 4.971) 6.628 3.702 ( 0.776 3.838 -2.886) 4.864 3.705 ( 1.160 1.410 -6.550) 6.800 3.754 ( 3.203 0.396 -1.763) 3.678 3.781 ( -0.024 -2.217 2.650) 3.455 3.815 ( -1.451 3.687 0.396) 3.982 3.862 ( -1.494 -4.758 -0.308) 4.997 3.936 ( -0.004 -0.800 -0.352) 0.874 3.973 ( -0.984 3.025 -2.680) 4.160 4.003 ( -3.206 -3.062 0.698) 4.488 4.046 ( 0.384 -2.576 0.191) 2.612 4.053 ( 1.455 -0.750 -2.143) 2.696 4.084 ( -3.370 -0.394 -0.470) 3.425 4.168 ( -3.833 1.612 -1.059) 4.291 4.195 ( -3.060 0.299 -1.907) 3.618 4.262 ( 2.470 -4.452 -0.950) 5.179 4.328 ( -0.106 -0.356 -1.084) 1.146 4.374 ( -0.010 0.875 -0.657) 1.095 4.383 ( -1.233 -1.743 -3.043) 3.717 4.489 ( -3.205 2.831 -1.539) 4.545 4.535 ( -3.587 0.722 -4.028) 5.442 4.544 ( 0.045 0.817 -2.399) 2.534 4.564 ( -3.767 -2.468 -0.433) 4.525 4.597 ( 1.189 -0.954 -1.901) 2.437 4.641 ( 0.568 1.642 0.397) 1.782 4.689 ( -2.118 1.322 0.484) 2.543 4.707 ( -0.501 4.925 -0.876) 5.028 4.710 ( -1.003 -1.518 0.620) 1.922 4.774 ( -2.679 1.960 -1.736) 3.746 4.814 ( -0.439 -2.257 -0.457) 2.344 4.873 ( -1.213 0.888 0.230) 1.521 4.922 ( -0.475 1.824 1.963) 2.721 4.948 ( -0.257 0.405 1.251) 1.340 4.975 ( -2.187 0.070 -0.496) 2.244 5.015 ( -1.078 -0.305 1.011) 1.509 5.062 ( 3.046 5.555 -2.110) 6.677 5.106 ( 0.455 2.380 0.191) 2.431 5.136 ( 0.107 2.365 0.553) 2.431 5.166 ( -0.512 -0.697 2.225) 2.387 5.230 ( -1.405 -2.449 0.191) 2.830 5.267 ( 1.569 -0.344 2.533) 2.999 5.305 ( 3.556 3.979 0.425) 5.354 5.379 ( -0.672 -2.768 2.296) 3.659 5.427 ( -1.265 0.359 4.267) 4.465 5.509 ( 0.047 -2.918 0.728) 3.008 5.534 ( 0.991 -3.063 1.036) 3.382 5.579 ( -2.281 0.886 -1.665) 2.959 5.606 ( -0.803 -0.259 -2.285) 2.435 5.920 ( 2.636 1.859 2.303) 3.963 6.002 ( 0.591 -1.830 0.418) 1.968 6.053 ( 2.087 1.572 -2.020) 3.303 6.103 ( 1.077 -0.585 -2.201) 2.519 6.484 ( -2.509 -0.592 -0.080) 2.579 6.497 ( -1.410 -1.218 0.200) 1.874 6.603 ( -6.265 3.937 -0.676) 7.430 6.744 ( -3.969 -3.156 0.763) 5.128 6.823 ( -2.646 1.202 1.937) 3.493 6.873 ( -0.647 -2.493 2.722) 3.747 7.066 ( 0.679 5.096 -1.963) 5.503 7.140 ( 2.290 2.711 -2.216) 4.184 7.247 ( -0.126 -3.702 -2.558) 4.502 7.288 ( -1.202 -2.275 0.745) 2.678 7.376 ( 1.643 0.734 -1.977) 2.674 7.456 ( 2.505 -1.389 -0.950) 3.017 7.541 ( 1.547 -0.078 -0.445) 1.611 7.556 ( 1.222 -0.708 -0.509) 1.501 7.649 ( -2.067 1.284 2.728) 3.656 7.686 ( 0.028 -0.229 3.220) 3.228 7.807 ( 0.236 1.945 -0.619) 2.055 7.844 ( -1.093 0.608 -2.962) 3.215 8.116 ( -0.102 1.147 0.439) 1.233 8.163 ( -0.487 0.426 -2.330) 2.418 8.220 ( -5.984 0.292 -0.864) 6.053 8.253 ( -0.895 -0.914 0.858) 1.540 8.300 ( -2.871 1.099 -0.205) 3.081 8.417 ( -1.203 -2.885 0.404) 3.152 8.497 ( -6.121 0.266 1.606) 6.334 8.517 ( -7.456 -0.152 0.131) 7.458 8.582 ( -2.116 4.074 -3.005) 5.487 8.591 ( -3.505 2.672 -0.522) 4.438 8.668 ( -3.309 -0.061 -1.216) 3.526 8.760 ( -0.726 -1.439 0.037) 1.612 8.813 ( 4.552 2.042 0.484) 5.013 8.882 ( 5.739 -0.566 1.174) 5.885 8.959 ( -1.120 0.178 1.944) 2.250 8.985 ( -2.258 -0.560 -2.983) 3.783 9.098 ( -3.666 0.972 4.737) 6.068 9.179 ( -4.591 -1.257 1.391) 4.959 9.210 ( -0.683 -0.375 -1.130) 1.373 9.260 ( -1.986 -0.485 1.198) 2.370 9.272 ( 3.903 -1.621 -3.485) 5.478 9.368 ( -0.697 -3.043 -3.077) 4.383 9.404 ( -2.336 1.053 1.480) 2.959 9.552 ( -0.856 -5.862 3.923) 7.105 9.614 ( -4.466 4.448 0.531) 6.325 9.680 ( 3.189 1.263 1.723) 3.838 9.713 ( 0.685 0.300 2.526) 2.634 9.807 ( 1.480 -2.080 0.049) 2.553 9.918 ( 3.712 1.051 1.091) 4.009 9.967 ( 8.013 -2.373 1.255) 8.451 10.058 ( 4.730 -1.200 -0.882) 4.959 10.136 ( 10.412 -3.789 -0.232) 11.083 10.214 ( 2.205 3.239 -1.403) 4.162 10.273 ( 9.114 1.636 -5.180) 10.610 10.320 ( -1.342 -1.208 -2.443) 3.037 10.376 ( 4.554 -2.587 -3.869) 6.512 10.514 ( 3.032 0.908 -1.302) 3.422 10.522 ( 1.912 0.693 1.310) 2.419 10.782 ( -4.858 0.476 6.257) 7.935 10.823 ( -3.314 -1.161 2.844) 4.519 10.852 ( -4.087 0.592 1.329) 4.338 10.907 ( -4.845 -1.597 1.007) 5.200 10.957 ( 1.926 0.577 -2.033) 2.859 11.013 ( 5.011 -0.266 -0.992) 5.115 11.050 ( 3.119 0.988 -2.432) 4.077 11.115 ( 0.244 -1.066 -0.306) 1.135 11.127 ( -0.259 3.905 -0.494) 3.944 11.283 ( -2.173 -3.610 3.544) 5.506 11.302 ( -0.944 0.614 2.777) 2.996 11.320 ( 0.561 -0.356 0.870) 1.094 11.717 ( 3.387 0.859 -3.009) 4.611 11.750 ( 4.339 0.070 -4.363) 6.154 11.768 ( 2.591 -0.256 -1.873) 3.208 11.786 ( 4.797 -1.350 -2.796) 5.714 11.874 ( -2.517 1.152 4.726) 5.477 11.914 ( -1.547 0.273 2.928) 3.323 12.112 ( 1.307 -1.242 0.252) 1.821 12.154 ( 3.091 -2.732 -0.835) 4.209 12.204 ( 0.157 0.678 0.753) 1.025 12.269 ( 0.064 -2.673 -1.447) 3.040 12.314 ( -2.207 2.907 3.887) 5.332 12.386 ( -1.426 1.643 0.692) 2.283 12.400 ( 0.173 5.496 -3.749) 6.655 12.474 ( -3.773 0.420 -3.663) 5.275 12.518 ( -4.756 -0.461 2.535) 5.409 12.566 ( -1.976 -1.770 1.108) 2.875 12.605 ( -3.683 2.413 3.506) 5.629 12.615 ( -4.134 0.960 1.641) 4.550 12.660 ( -1.042 -1.860 0.674) 2.236 12.689 ( -3.498 -1.030 -0.004) 3.647 12.753 ( 2.499 1.520 1.853) 3.463 12.797 ( -0.258 -0.055 0.875) 0.914 12.843 ( 1.023 0.511 -1.150) 1.622 12.873 ( 1.930 0.036 -0.844) 2.107 12.951 ( 1.803 -1.400 1.303) 2.628 12.997 ( 1.175 -2.077 -1.952) 3.083 13.123 ( 1.340 -0.235 -3.491) 3.747 13.144 ( 3.736 -1.277 -4.323) 5.855 13.212 ( 3.491 1.964 -3.261) 5.165 13.273 ( 1.707 0.589 -8.836) 9.019 13.390 ( 2.212 1.605 -1.822) 3.285 13.440 ( 4.444 0.337 -12.159) 12.950 13.718 ( -2.062 1.036 0.602) 2.384 13.738 ( -8.709 2.067 7.407) 11.619 13.866 ( -3.864 0.933 7.885) 8.830 13.922 ( -2.462 -4.893 3.780) 6.655 14.004 ( -5.449 -0.941 8.088) 9.797 14.031 ( 0.464 -1.537 0.585) 1.709 14.163 ( -6.108 5.925 5.183) 9.963 14.353 ( -8.808 -3.762 1.839) 9.753 14.450 ( -0.737 0.498 0.202) 0.912 14.485 ( 1.418 1.736 -3.129) 3.849 14.568 ( 3.679 -0.148 -2.781) 4.614 14.650 ( 1.598 -2.161 -0.372) 2.713 14.715 ( -1.637 -0.523 0.789) 1.891 14.731 ( -2.621 -0.278 -1.304) 2.941 14.838 ( 4.787 3.965 -0.374) 6.227 14.966 ( 7.819 -2.751 -0.653) 8.315 ======================= Grid point 56 (27/69) ======================= q-point: ( 0.22 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 10.550 20.149 15.416) 27.476 1.777 ( 22.220 9.633 16.811) 29.481 2.135 ( 14.501 -0.731 -4.806) 15.294 2.258 ( 13.730 -7.984 -10.774) 19.192 2.315 ( 11.543 0.935 -12.452) 17.005 2.334 ( 11.149 -13.041 7.642) 18.782 2.360 ( 9.996 -5.644 -6.441) 13.163 2.470 ( 6.263 -6.321 0.896) 8.944 2.577 ( 11.781 2.792 10.011) 15.710 2.652 ( 2.930 3.464 -0.438) 4.558 2.743 ( 7.771 -5.772 -13.459) 16.579 2.803 ( 11.492 0.242 0.615) 11.511 2.911 ( 12.848 8.786 10.768) 18.927 2.978 ( 4.782 11.350 1.708) 12.434 3.059 ( 5.116 8.633 -5.326) 11.361 3.155 ( 1.076 0.321 2.877) 3.088 3.247 ( -0.623 -2.882 4.523) 5.400 3.279 ( 0.755 1.968 3.099) 3.748 3.374 ( 0.836 0.375 3.522) 3.639 3.404 ( -2.695 1.231 2.042) 3.599 3.439 ( -0.243 3.106 1.886) 3.642 3.502 ( -3.714 -4.005 0.316) 5.471 3.538 ( 3.064 -6.643 2.721) 7.805 3.604 ( -3.236 -3.335 1.905) 5.022 3.665 ( 1.999 2.513 -8.624) 9.203 3.678 ( -2.341 -3.447 5.197) 6.661 3.720 ( 1.351 -1.204 1.465) 2.329 3.752 ( -2.824 -2.600 2.018) 4.337 3.760 ( -3.277 -3.603 2.672) 5.556 3.811 ( -1.357 -2.031 -3.370) 4.162 3.869 ( 1.542 -0.178 1.422) 2.105 3.882 ( -2.753 0.141 -4.331) 5.134 3.919 ( -2.546 -1.311 1.779) 3.371 3.943 ( -5.902 -2.911 -1.197) 6.689 4.003 ( -1.593 -2.915 -0.100) 3.324 4.069 ( -0.236 3.201 -1.399) 3.502 4.099 ( -2.335 -1.053 -1.808) 3.135 4.119 ( 2.776 -1.925 -0.719) 3.454 4.128 ( 2.152 3.878 1.936) 4.839 4.251 ( -2.581 0.030 -0.972) 2.759 4.329 ( -0.066 -4.995 -5.132) 7.161 4.343 ( -0.213 -5.469 -0.167) 5.476 4.363 ( -4.229 0.602 -3.811) 5.725 4.401 ( 1.953 2.733 -0.272) 3.370 4.433 ( -3.604 -1.475 -2.595) 4.679 4.465 ( -3.789 -1.477 -2.149) 4.600 4.528 ( -2.223 1.030 0.712) 2.552 4.580 ( -0.263 1.436 -4.145) 4.394 4.645 ( -1.507 -0.929 -1.777) 2.509 4.661 ( -3.764 1.296 -0.547) 4.018 4.694 ( 0.455 2.442 2.297) 3.383 4.712 ( -1.948 1.317 3.040) 3.843 4.737 ( -0.188 2.788 0.574) 2.853 4.816 ( 0.280 -0.662 1.563) 1.720 4.832 ( -1.306 1.626 -3.348) 3.944 4.900 ( -1.689 0.994 -0.206) 1.970 4.940 ( 0.132 -1.626 0.541) 1.718 4.944 ( -3.506 -0.336 1.402) 3.790 5.024 ( 1.307 3.209 1.160) 3.654 5.070 ( -0.583 5.679 -1.506) 5.904 5.111 ( -0.403 1.405 0.399) 1.516 5.148 ( 0.212 2.771 -0.347) 2.800 5.177 ( -0.054 -2.481 -0.168) 2.487 5.219 ( -0.382 -2.612 1.196) 2.898 5.263 ( -3.748 0.910 -0.177) 3.861 5.335 ( -0.430 1.295 1.031) 1.710 5.370 ( -1.656 -0.555 1.722) 2.453 5.440 ( 0.284 0.603 0.590) 0.891 5.502 ( -1.522 -0.861 0.351) 1.784 5.542 ( -0.399 -0.224 0.574) 0.734 5.585 ( 3.167 -2.717 0.341) 4.187 5.590 ( 0.035 -1.405 -0.128) 1.411 6.002 ( 4.361 0.403 2.073) 4.845 6.036 ( 2.633 -1.138 1.055) 3.056 6.086 ( 3.190 1.525 -1.337) 3.780 6.111 ( 1.791 0.195 -1.365) 2.261 6.428 ( -4.279 0.546 0.535) 4.347 6.462 ( -3.314 -0.799 0.175) 3.413 6.516 ( -2.698 3.291 -1.032) 4.379 6.677 ( -4.078 -3.876 0.993) 5.713 6.785 ( -3.847 0.474 1.165) 4.047 6.859 ( -3.115 -3.645 1.142) 4.928 7.034 ( -0.481 3.898 -3.139) 5.028 7.167 ( 1.478 0.265 -3.851) 4.133 7.201 ( -1.048 -0.025 0.030) 1.049 7.252 ( -2.902 0.933 0.600) 3.107 7.422 ( 3.360 -0.583 0.335) 3.426 7.510 ( 1.732 -1.076 0.424) 2.083 7.545 ( -2.358 -2.755 1.243) 3.833 7.558 ( -0.027 -1.998 1.365) 2.420 7.687 ( 4.397 2.438 -0.527) 5.055 7.721 ( -1.029 0.857 0.008) 1.339 7.778 ( 2.428 2.094 -0.065) 3.207 7.848 ( 2.553 -0.886 -0.821) 2.825 8.107 ( -2.858 0.796 -0.677) 3.043 8.138 ( -0.041 0.458 0.822) 0.942 8.164 ( -1.161 -0.123 1.983) 2.302 8.221 ( -5.228 -0.170 -1.285) 5.386 8.226 ( -3.534 0.732 -0.398) 3.631 8.308 ( -3.981 -0.440 1.225) 4.188 8.379 ( -5.912 2.909 -1.753) 6.818 8.473 ( -3.474 2.416 1.818) 4.605 8.537 ( 1.497 0.579 -1.857) 2.454 8.554 ( -1.178 1.693 1.025) 2.303 8.631 ( -1.030 -1.497 0.678) 1.939 8.748 ( -1.965 -5.356 0.976) 5.788 8.877 ( -0.305 2.458 0.384) 2.506 8.901 ( -6.811 0.448 -1.633) 7.018 8.944 ( -3.588 -0.128 0.661) 3.651 8.985 ( -0.513 -1.500 3.287) 3.650 9.020 ( -3.560 -0.023 0.603) 3.611 9.069 ( -5.257 0.210 1.346) 5.431 9.146 ( -4.319 1.083 1.348) 4.652 9.208 ( 0.891 -1.129 -0.732) 1.614 9.321 ( 4.886 -1.000 -5.729) 7.596 9.348 ( 1.925 -1.301 -5.357) 5.839 9.403 ( 1.265 0.822 -0.415) 1.565 9.532 ( -5.506 -4.236 3.444) 7.753 9.552 ( 0.471 4.589 -1.390) 4.818 9.687 ( -3.205 -0.838 -1.176) 3.515 9.792 ( 3.710 2.015 4.372) 6.078 9.833 ( 0.213 2.189 -0.166) 2.205 9.929 ( -1.512 -0.010 -0.699) 1.666 10.052 ( 2.148 -6.433 0.245) 6.787 10.116 ( 3.002 2.782 -1.947) 4.532 10.226 ( 1.058 2.647 0.260) 2.862 10.274 ( 3.559 -2.841 -3.740) 5.893 10.342 ( 5.467 -1.937 -1.060) 5.896 10.465 ( 14.001 0.765 -0.249) 14.024 10.538 ( 12.506 -2.190 1.967) 12.848 10.588 ( 6.151 0.623 0.357) 6.192 10.615 ( 3.006 -1.180 2.082) 3.842 10.735 ( -2.570 0.378 1.602) 3.052 10.761 ( -4.977 0.113 3.970) 6.367 10.816 ( -1.517 -0.579 0.749) 1.788 10.835 ( -3.787 -1.646 1.435) 4.372 10.980 ( 2.496 1.757 -1.531) 3.415 11.070 ( 1.048 4.023 -1.385) 4.382 11.077 ( 1.879 -1.732 -0.119) 2.558 11.117 ( 1.972 0.371 -1.142) 2.308 11.146 ( 2.590 1.318 -2.761) 4.008 11.258 ( -2.403 -2.323 0.115) 3.344 11.334 ( 2.429 0.945 2.329) 3.496 11.364 ( 4.674 -0.408 0.290) 4.701 11.744 ( 2.338 0.837 -2.360) 3.426 11.775 ( 3.502 1.372 -3.771) 5.327 11.793 ( 0.599 -0.845 -0.349) 1.093 11.844 ( 4.185 -1.526 -2.109) 4.929 11.878 ( -1.950 1.182 5.020) 5.514 11.929 ( 0.003 -0.398 3.777) 3.798 12.124 ( 0.709 -0.707 -1.333) 1.667 12.179 ( 0.482 -1.248 -0.863) 1.592 12.213 ( -0.538 -0.238 1.410) 1.527 12.245 ( -1.896 -1.370 -0.995) 2.542 12.306 ( -1.818 1.138 1.392) 2.557 12.352 ( -5.224 1.297 -0.597) 5.416 12.369 ( 0.828 1.397 -2.886) 3.311 12.411 ( -0.386 0.810 0.927) 1.290 12.447 ( -4.973 0.666 3.777) 6.280 12.499 ( -6.059 0.680 -0.852) 6.156 12.509 ( -7.086 0.267 2.578) 7.545 12.555 ( -3.734 -1.342 1.404) 4.209 12.673 ( 0.393 0.136 0.246) 0.483 12.683 ( -0.044 -0.525 2.171) 2.234 12.787 ( 1.475 0.418 -1.601) 2.217 12.825 ( 1.068 -1.126 -0.164) 1.560 12.852 ( 2.210 1.338 -0.616) 2.656 12.894 ( 1.555 -1.100 -0.853) 2.087 12.979 ( 2.517 -1.134 -2.721) 3.876 13.013 ( 0.129 -0.718 0.790) 1.075 13.114 ( 1.185 1.039 -3.057) 3.439 13.167 ( 3.889 0.131 -6.045) 7.189 13.205 ( 1.184 1.304 -8.131) 8.319 13.243 ( 1.462 -0.688 -2.409) 2.901 13.398 ( 2.431 -0.007 -7.404) 7.793 13.435 ( 3.438 0.119 -5.567) 6.544 13.632 ( -7.343 2.317 3.343) 8.394 13.713 ( -2.417 -2.473 5.487) 6.485 13.892 ( -2.181 0.975 4.470) 5.069 13.896 ( -5.054 0.013 9.464) 10.729 13.975 ( -4.310 0.544 5.500) 7.008 14.036 ( -3.568 -0.232 2.586) 4.412 14.126 ( -1.404 2.350 1.377) 3.064 14.186 ( -9.509 -1.612 4.064) 10.466 14.436 ( -1.690 -0.917 2.593) 3.228 14.502 ( 3.035 -2.012 -5.076) 6.247 14.622 ( 1.984 1.817 -0.476) 2.732 14.651 ( 0.948 0.300 -3.310) 3.456 14.653 ( -3.555 0.008 -1.507) 3.861 14.733 ( 1.839 -3.840 2.579) 4.978 14.913 ( 4.144 5.660 -0.810) 7.061 15.076 ( 5.789 -2.826 -1.474) 6.608 ======================= Grid point 57 (28/69) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 5.661 16.954 8.164) 19.651 2.212 ( 13.946 2.267 -4.580) 14.853 2.319 ( 16.864 5.038 2.199) 17.737 2.358 ( 11.193 -2.225 -11.147) 15.952 2.437 ( 12.279 4.215 -5.254) 14.005 2.507 ( 10.040 -1.572 -5.455) 11.534 2.600 ( 5.462 -1.975 2.415) 6.290 2.661 ( 12.853 -13.405 10.510) 21.339 2.751 ( 8.807 -3.035 2.129) 9.555 2.756 ( 7.898 -2.104 -3.533) 8.904 2.780 ( 8.189 -4.049 -9.803) 13.400 2.921 ( 7.310 -4.698 2.175) 8.958 3.037 ( 2.638 6.197 -2.565) 7.207 3.105 ( 3.114 5.530 0.974) 6.421 3.170 ( -0.033 0.829 1.500) 1.714 3.256 ( -4.969 2.760 1.588) 5.901 3.271 ( 0.434 -0.176 0.565) 0.734 3.341 ( 2.182 0.025 2.182) 3.086 3.349 ( -1.324 1.401 -0.153) 1.933 3.397 ( 0.910 3.510 3.386) 4.961 3.439 ( -4.609 -0.038 -0.234) 4.615 3.497 ( 2.906 2.050 3.077) 4.703 3.530 ( -4.042 -1.295 1.449) 4.485 3.574 ( -3.376 -0.384 1.802) 3.846 3.640 ( 0.397 -1.574 1.428) 2.162 3.664 ( -6.839 -1.020 4.122) 8.050 3.676 ( 0.968 -1.514 5.019) 5.331 3.720 ( -3.605 -4.367 1.601) 5.885 3.779 ( -3.507 3.886 1.413) 5.422 3.794 ( 0.882 -1.153 2.279) 2.702 3.802 ( -2.460 0.029 1.522) 2.893 3.873 ( -1.361 -3.226 0.924) 3.621 3.899 ( 3.415 -2.250 2.650) 4.873 3.938 ( -3.047 0.066 -1.127) 3.250 3.958 ( 4.784 -0.208 -2.988) 5.644 4.051 ( 4.246 0.281 -2.440) 4.905 4.105 ( 4.385 0.539 -6.587) 7.932 4.177 ( 0.746 -0.656 1.006) 1.414 4.188 ( -1.883 -1.952 -0.611) 2.780 4.205 ( -2.194 2.788 -3.256) 4.816 4.250 ( 4.127 0.325 3.924) 5.704 4.297 ( -4.274 -0.829 -0.905) 4.447 4.324 ( -0.630 -3.685 -2.149) 4.312 4.373 ( 0.447 -2.339 -2.891) 3.746 4.414 ( 2.853 -7.547 -6.671) 10.469 4.449 ( -0.022 -2.939 0.930) 3.083 4.485 ( -0.490 2.800 0.250) 2.853 4.566 ( -3.429 0.231 0.090) 3.438 4.576 ( -3.090 -0.323 -0.306) 3.121 4.605 ( -0.944 0.638 -1.044) 1.545 4.652 ( -3.938 3.432 -0.218) 5.228 4.688 ( -2.432 4.919 -0.336) 5.498 4.757 ( -0.955 -1.225 1.045) 1.872 4.789 ( 1.065 0.942 -0.077) 1.424 4.855 ( 0.174 2.193 1.680) 2.768 4.883 ( -1.747 0.166 -0.991) 2.015 4.901 ( -1.354 -1.404 1.920) 2.737 4.956 ( 0.928 -1.026 -0.405) 1.441 5.020 ( -2.906 5.400 -0.136) 6.134 5.051 ( -0.594 1.878 1.149) 2.281 5.077 ( -3.797 1.657 1.050) 4.274 5.126 ( -3.905 -1.282 0.349) 4.125 5.149 ( -0.144 0.678 -1.247) 1.427 5.201 ( -0.165 -0.300 -0.310) 0.462 5.238 ( 0.042 0.693 0.601) 0.918 5.318 ( -1.986 -2.333 1.381) 3.361 5.364 ( -0.281 -0.365 0.489) 0.672 5.435 ( -0.666 0.416 -1.003) 1.274 5.497 ( 0.830 2.784 0.167) 2.910 5.545 ( -0.416 -0.214 0.632) 0.786 5.590 ( -0.408 -1.797 0.278) 1.863 5.635 ( 2.354 -2.363 -0.281) 3.347 6.096 ( 3.908 -0.355 0.152) 3.927 6.099 ( 3.666 -0.401 1.125) 3.855 6.138 ( 3.404 0.606 1.069) 3.619 6.145 ( 3.018 0.498 -0.429) 3.089 6.351 ( -4.747 0.811 0.522) 4.844 6.387 ( -4.944 -0.828 -0.180) 5.016 6.481 ( -0.659 2.987 -1.126) 3.260 6.621 ( -3.258 -3.124 0.315) 4.525 6.712 ( -4.538 1.092 -0.279) 4.676 6.798 ( -3.318 -3.350 -1.160) 4.856 7.013 ( 0.202 2.751 -1.150) 2.988 7.136 ( 0.806 -3.502 -3.713) 5.167 7.207 ( -2.094 2.219 1.720) 3.502 7.231 ( 0.705 1.857 2.366) 3.089 7.461 ( -4.658 0.005 1.012) 4.767 7.484 ( 1.092 -0.123 0.922) 1.434 7.520 ( -1.317 -1.134 1.376) 2.217 7.581 ( -0.214 -2.442 -0.300) 2.470 7.698 ( 1.474 1.013 -0.918) 2.010 7.743 ( 1.656 -0.323 -1.740) 2.424 7.854 ( 4.933 0.863 -2.182) 5.463 7.908 ( 6.188 -2.001 -3.292) 7.289 8.036 ( -3.525 2.440 1.407) 4.512 8.103 ( -4.200 1.489 -1.596) 4.733 8.161 ( -0.500 0.344 1.188) 1.334 8.183 ( 0.505 -1.273 3.612) 3.863 8.226 ( 0.807 0.952 2.558) 2.846 8.291 ( -2.822 5.648 -0.334) 6.323 8.305 ( 1.130 -1.176 1.909) 2.511 8.438 ( -1.962 2.596 1.042) 3.417 8.540 ( -0.553 1.949 2.925) 3.558 8.563 ( -0.113 -2.223 -1.656) 2.775 8.632 ( -2.485 -1.764 3.584) 4.705 8.667 ( -7.666 -3.607 -2.208) 8.755 8.730 ( -7.373 -0.750 -1.374) 7.537 8.792 ( -4.949 -2.119 1.098) 5.494 8.846 ( -4.913 1.740 -0.092) 5.213 8.912 ( -5.663 -1.161 0.022) 5.780 9.024 ( 1.461 3.843 0.505) 4.142 9.110 ( 0.917 -0.432 -0.326) 1.065 9.145 ( 0.379 -0.806 3.679) 3.786 9.191 ( -2.121 -2.813 -1.540) 3.845 9.331 ( 4.686 0.682 -7.066) 8.506 9.362 ( 4.359 -0.259 -6.521) 7.848 9.446 ( 2.216 -0.697 3.000) 3.794 9.478 ( -1.998 -1.753 -0.799) 2.775 9.580 ( 3.241 2.551 -0.396) 4.144 9.614 ( -2.562 1.913 -0.895) 3.320 9.817 ( -1.353 0.948 2.140) 2.703 9.868 ( -1.816 -1.720 3.168) 4.036 9.917 ( 2.317 1.647 1.662) 3.293 10.065 ( -0.820 -3.750 0.573) 3.881 10.142 ( 2.255 2.520 -0.855) 3.488 10.237 ( 0.820 2.109 -0.311) 2.285 10.305 ( 2.102 -0.946 -1.861) 2.963 10.402 ( 2.214 -2.672 -0.589) 3.520 10.554 ( -2.993 0.919 0.944) 3.270 10.564 ( -3.878 0.632 -0.098) 3.931 10.696 ( -2.623 -0.287 4.467) 5.188 10.704 ( -2.489 0.116 2.501) 3.530 10.781 ( 9.403 -1.890 0.094) 9.592 10.805 ( 7.959 -2.219 -0.315) 8.269 10.850 ( 4.879 0.096 1.821) 5.209 10.869 ( 6.168 -0.512 0.634) 6.222 11.015 ( 2.206 2.013 0.223) 2.995 11.067 ( 1.265 2.635 -1.778) 3.421 11.096 ( -0.094 -1.801 0.747) 1.952 11.133 ( 1.090 -1.032 -1.981) 2.486 11.168 ( 3.980 1.727 -3.925) 5.850 11.214 ( -1.014 -0.167 -2.457) 2.663 11.428 ( 5.472 1.048 1.564) 5.787 11.475 ( 6.780 -1.039 -0.263) 6.864 11.758 ( 0.987 0.531 -0.578) 1.261 11.778 ( -0.183 -0.316 -1.322) 1.372 11.828 ( 3.308 1.729 1.701) 4.102 11.890 ( -0.535 -0.054 4.007) 4.043 11.907 ( 4.178 0.162 -0.537) 4.216 11.969 ( 0.735 -1.023 2.682) 2.964 12.116 ( -0.881 0.476 -1.060) 1.459 12.141 ( -4.707 0.421 0.362) 4.739 12.170 ( -5.382 -0.880 -0.540) 5.480 12.202 ( -1.222 -0.730 -1.355) 1.965 12.263 ( -4.470 0.063 0.861) 4.552 12.283 ( -2.344 -2.341 -0.300) 3.326 12.322 ( -8.178 2.405 0.504) 8.539 12.361 ( -3.554 1.316 -0.911) 3.898 12.406 ( 1.796 0.045 -1.437) 2.301 12.439 ( 0.962 -1.041 0.389) 1.470 12.497 ( -2.707 0.432 1.583) 3.165 12.515 ( 2.146 0.313 0.957) 2.371 12.669 ( -1.363 -0.353 0.855) 1.647 12.682 ( -2.151 -0.219 1.527) 2.647 12.812 ( 2.386 -0.252 -1.242) 2.701 12.826 ( 1.048 -0.110 -1.995) 2.256 12.864 ( -0.494 -0.383 -2.092) 2.183 12.910 ( 1.029 -1.920 -0.728) 2.297 12.997 ( 1.613 -0.333 -0.625) 1.762 13.022 ( 1.577 -0.466 -1.516) 2.236 13.106 ( 0.839 2.460 -1.996) 3.277 13.179 ( 2.475 -0.758 -4.844) 5.492 13.184 ( 4.174 1.767 -5.643) 7.238 13.250 ( 2.319 0.689 -1.765) 2.995 13.351 ( 1.166 -0.612 -9.463) 9.554 13.436 ( 0.919 -0.927 -3.331) 3.578 13.542 ( -6.187 2.196 3.396) 7.392 13.735 ( -1.541 -5.427 5.323) 7.756 13.862 ( -6.071 -0.434 4.118) 7.349 13.871 ( -4.120 0.968 6.815) 8.022 13.945 ( -9.173 0.363 1.945) 9.384 13.983 ( -2.296 2.346 5.730) 6.603 14.053 ( -3.218 4.430 5.236) 7.576 14.216 ( 4.347 -0.179 -0.652) 4.400 14.448 ( -0.372 -2.199 4.144) 4.706 14.487 ( 0.202 -2.472 -3.873) 4.599 14.543 ( -4.683 0.639 -3.292) 5.760 14.606 ( -0.946 -3.087 0.097) 3.230 14.714 ( 4.013 2.244 -0.179) 4.602 14.788 ( 1.955 -2.595 1.151) 3.447 14.962 ( 2.718 6.400 -1.696) 7.157 15.141 ( 3.692 -2.900 -2.483) 5.311 ======================= Grid point 58 (29/69) ======================= q-point: ( 0.44 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -0.210 15.051 4.489) 15.707 2.313 ( 6.686 1.005 -8.519) 10.876 2.419 ( 5.736 -0.974 -3.401) 6.739 2.539 ( 1.682 3.347 0.546) 3.785 2.585 ( 13.827 4.780 -10.357) 17.925 2.692 ( 7.668 -1.277 0.632) 7.800 2.763 ( -1.657 -0.240 -0.078) 1.676 2.792 ( 6.592 0.957 2.949) 7.285 2.851 ( 5.210 -3.345 -1.920) 6.482 2.878 ( 7.947 -1.964 -4.415) 9.300 2.926 ( -2.110 0.286 -2.573) 3.340 2.955 ( 9.707 -4.479 0.945) 10.732 3.074 ( 1.264 -2.407 -0.349) 2.741 3.106 ( -6.485 -1.283 2.168) 6.957 3.163 ( -1.769 -1.438 1.891) 2.962 3.197 ( -2.380 -5.516 -1.914) 6.305 3.248 ( -1.667 -3.054 0.329) 3.495 3.269 ( 0.355 -0.179 -1.316) 1.375 3.299 ( -0.959 -0.043 -0.851) 1.283 3.366 ( 1.056 -4.035 3.051) 5.168 3.444 ( -1.370 2.846 1.537) 3.512 3.500 ( -2.350 1.640 -0.238) 2.875 3.526 ( -4.862 3.960 4.874) 7.942 3.570 ( 1.399 1.312 4.512) 4.902 3.596 ( -0.763 1.112 0.453) 1.422 3.612 ( -3.220 1.641 0.475) 3.645 3.665 ( -4.954 -1.359 1.156) 5.265 3.691 ( -4.758 1.188 2.477) 5.494 3.707 ( -3.727 -2.595 4.477) 6.377 3.773 ( -3.483 3.248 -0.370) 4.777 3.857 ( 0.608 -3.839 0.938) 3.999 3.899 ( 0.630 -2.370 -0.663) 2.540 3.970 ( 0.832 3.925 6.195) 7.381 3.995 ( 3.768 -2.211 -1.606) 4.654 4.016 ( 0.545 -0.679 3.219) 3.335 4.096 ( 1.694 -0.274 -3.510) 3.907 4.121 ( 3.704 0.212 -2.197) 4.312 4.154 ( 1.386 0.160 -2.047) 2.477 4.161 ( 3.028 -0.113 -2.851) 4.161 4.217 ( -2.423 -0.957 -1.282) 2.904 4.226 ( -1.152 -1.151 -1.171) 2.005 4.292 ( 0.814 -4.369 -2.906) 5.310 4.340 ( 2.637 3.655 -2.441) 5.125 4.385 ( -1.952 1.424 -0.392) 2.448 4.406 ( 1.665 -0.881 0.112) 1.887 4.450 ( 2.373 1.236 2.704) 3.804 4.480 ( 2.260 -1.020 -2.651) 3.630 4.495 ( -2.801 0.173 -0.386) 2.833 4.547 ( 0.415 -1.280 0.153) 1.355 4.610 ( 1.258 0.603 1.525) 2.066 4.643 ( 1.266 -0.506 -5.001) 5.183 4.659 ( 3.456 -0.572 0.629) 3.559 4.728 ( -2.839 -0.738 -0.515) 2.978 4.786 ( -3.698 1.474 -0.094) 3.982 4.806 ( -4.903 0.638 3.610) 6.122 4.865 ( -0.034 -2.771 1.799) 3.303 4.917 ( -0.061 0.860 -0.576) 1.037 4.953 ( 0.720 2.531 3.613) 4.470 5.010 ( -2.348 3.000 0.530) 3.846 5.032 ( -0.088 -1.397 1.117) 1.791 5.046 ( 0.265 1.878 3.320) 3.824 5.081 ( -2.361 2.595 -0.108) 3.510 5.151 ( 0.148 -0.358 0.132) 0.410 5.208 ( 0.950 1.531 -0.522) 1.876 5.238 ( -0.693 -1.018 0.821) 1.480 5.312 ( -0.039 -4.314 0.670) 4.366 5.355 ( -0.766 0.560 -0.844) 1.270 5.413 ( -0.575 0.582 -0.621) 1.027 5.510 ( 0.397 2.969 -0.540) 3.043 5.536 ( -0.582 -0.456 -0.574) 0.936 5.581 ( -0.668 -0.914 -0.111) 1.137 5.656 ( 0.599 -2.050 -0.961) 2.342 6.141 ( 2.370 -0.101 -0.218) 2.382 6.152 ( 1.022 -0.657 -0.340) 1.261 6.188 ( 1.306 0.871 0.059) 1.571 6.215 ( 1.591 -0.404 0.384) 1.686 6.296 ( -1.441 0.218 2.446) 2.848 6.309 ( -2.863 -0.362 1.357) 3.189 6.476 ( 1.472 2.204 -1.526) 3.058 6.565 ( -2.916 -1.500 -0.593) 3.333 6.644 ( -2.086 1.447 -1.116) 2.773 6.743 ( -0.959 -3.095 -2.231) 3.934 7.022 ( 0.775 2.901 1.096) 3.197 7.138 ( 1.805 -3.275 -1.348) 3.975 7.200 ( -0.587 1.593 2.542) 3.057 7.271 ( 0.067 -1.006 3.470) 3.613 7.378 ( -2.988 2.264 -0.410) 3.771 7.492 ( -1.193 -2.653 0.620) 2.974 7.528 ( -0.751 1.161 1.317) 1.909 7.558 ( -0.014 0.630 -1.370) 1.508 7.717 ( 1.169 -1.566 -2.045) 2.828 7.723 ( -0.720 -1.388 -3.630) 3.953 7.892 ( 2.797 1.891 -3.407) 4.796 7.983 ( 5.484 -3.244 -3.909) 7.475 8.033 ( 0.022 2.117 4.358) 4.845 8.065 ( 0.761 2.940 -1.318) 3.310 8.152 ( -1.707 -0.597 -1.878) 2.607 8.182 ( -1.004 2.599 0.590) 2.848 8.252 ( -0.558 3.008 1.467) 3.393 8.264 ( -1.685 -0.024 1.926) 2.559 8.356 ( -1.824 0.138 0.492) 1.894 8.436 ( 0.653 1.735 0.599) 1.948 8.456 ( -3.429 -4.461 0.659) 5.665 8.539 ( -5.968 -2.089 4.390) 7.698 8.567 ( -0.349 1.717 3.629) 4.030 8.646 ( 0.447 3.553 2.374) 4.296 8.671 ( -0.172 -1.694 0.522) 1.781 8.769 ( -2.199 -0.504 0.055) 2.257 8.779 ( -3.046 0.216 0.111) 3.055 8.835 ( 0.140 -3.472 0.162) 3.478 9.035 ( 0.875 0.655 -1.698) 2.019 9.101 ( -2.794 -1.644 -1.690) 3.657 9.124 ( -1.682 -0.475 0.239) 1.764 9.168 ( 1.143 -2.647 -1.036) 3.064 9.323 ( -0.673 0.234 -7.419) 7.453 9.357 ( 2.160 -1.090 -6.954) 7.363 9.464 ( 2.013 4.032 -1.042) 4.626 9.527 ( 2.697 0.867 1.130) 3.050 9.600 ( 3.589 1.803 0.705) 4.077 9.640 ( 2.761 -0.366 -0.329) 2.805 9.805 ( -3.491 1.013 2.983) 4.702 9.863 ( -3.239 -2.138 5.978) 7.127 9.976 ( 1.182 0.406 2.469) 2.768 10.051 ( -1.145 -2.824 1.373) 3.342 10.175 ( 0.848 3.435 0.999) 3.677 10.263 ( 2.059 0.783 0.057) 2.204 10.322 ( 1.200 0.925 1.178) 1.919 10.426 ( 1.746 -2.227 -0.313) 2.846 10.495 ( -1.940 -0.201 0.827) 2.118 10.529 ( -1.451 -0.018 1.091) 1.816 10.653 ( -5.507 -0.186 5.468) 7.762 10.687 ( -2.146 -0.651 3.622) 4.260 10.864 ( 0.886 -0.154 -2.777) 2.919 10.868 ( 1.045 -0.416 -2.991) 3.196 10.942 ( 2.508 -0.531 -1.233) 2.845 10.963 ( 3.222 -0.737 1.605) 3.674 11.051 ( 1.431 1.212 0.035) 1.875 11.094 ( 2.103 1.229 -2.355) 3.388 11.103 ( 0.262 -0.704 1.234) 1.445 11.151 ( 2.431 -1.560 -0.048) 2.889 11.207 ( 4.451 1.335 -3.481) 5.806 11.229 ( 7.460 0.048 -4.492) 8.709 11.488 ( -1.748 0.777 1.950) 2.732 11.529 ( -1.902 -0.974 0.925) 2.328 11.793 ( 4.213 0.210 -0.936) 4.321 11.802 ( 4.439 0.173 -0.589) 4.481 11.912 ( 1.619 0.613 3.152) 3.596 11.925 ( 0.605 0.853 2.967) 3.146 11.965 ( -3.394 0.070 0.463) 3.426 11.975 ( -1.148 -0.721 1.139) 1.770 12.049 ( -2.355 1.117 -0.552) 2.664 12.061 ( -4.117 0.735 -0.888) 4.276 12.074 ( -4.475 -0.800 -0.550) 4.579 12.128 ( -4.459 -0.678 2.428) 5.122 12.193 ( -0.181 0.989 -2.562) 2.752 12.219 ( -1.482 -0.642 -1.458) 2.176 12.273 ( -1.271 0.423 -0.091) 1.343 12.314 ( -1.173 -0.377 -0.123) 1.238 12.430 ( -0.481 1.799 -0.001) 1.862 12.465 ( 4.236 -0.710 -2.832) 5.144 12.486 ( 2.071 -0.291 -1.608) 2.638 12.584 ( 3.177 -2.666 1.385) 4.372 12.632 ( -4.081 0.371 1.952) 4.539 12.650 ( -3.120 -0.082 2.561) 4.037 12.820 ( -0.181 1.139 -3.848) 4.017 12.830 ( 0.620 -0.063 -1.642) 1.757 12.833 ( 0.501 -0.499 -0.248) 0.750 12.909 ( -0.038 -2.633 -2.131) 3.387 13.011 ( 0.745 0.491 -0.749) 1.165 13.047 ( 3.526 -1.142 -3.147) 4.862 13.127 ( 1.582 2.642 1.571) 3.457 13.189 ( 3.982 -0.251 -4.831) 6.265 13.230 ( 5.416 0.939 -2.680) 6.115 13.283 ( 0.741 1.548 -6.593) 6.813 13.312 ( 3.424 -1.240 0.141) 3.644 13.417 ( -0.526 0.801 -0.663) 1.165 13.490 ( -2.311 -0.427 2.749) 3.616 13.704 ( -4.294 -5.848 0.069) 7.255 13.803 ( -6.265 0.757 0.877) 6.371 13.820 ( -3.777 0.027 2.697) 4.641 13.872 ( -1.978 4.165 4.452) 6.409 13.990 ( -3.759 -1.301 9.577) 10.370 14.059 ( -1.955 5.033 3.141) 6.246 14.248 ( 2.559 -0.396 -6.976) 7.441 14.433 ( -4.646 0.025 -0.598) 4.684 14.480 ( 0.195 -0.019 1.259) 1.275 14.502 ( 2.055 -0.645 4.584) 5.065 14.615 ( 1.312 -6.725 0.595) 6.878 14.763 ( 1.338 1.590 0.472) 2.131 14.809 ( 0.134 -1.611 -0.500) 1.692 14.977 ( 1.228 6.811 -2.637) 7.406 15.161 ( 1.706 -2.877 -3.642) 4.945 ======================= Grid point 59 (30/69) ======================= q-point: (-0.44 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -10.120 16.269 2.565) 19.330 2.318 ( -1.666 4.216 -4.242) 6.208 2.375 ( -16.990 1.898 -9.098) 19.366 2.471 ( -4.155 3.313 -2.052) 5.697 2.541 ( 2.563 -0.236 -1.638) 3.051 2.691 ( -5.311 -5.290 -5.956) 9.575 2.719 ( -14.719 -11.026 -2.696) 18.587 2.741 ( -3.704 -3.309 -2.919) 5.762 2.857 ( 7.706 -0.010 -1.213) 7.801 2.924 ( -1.900 1.455 -0.106) 2.396 2.992 ( -0.309 2.730 4.367) 5.160 3.030 ( 8.843 -2.798 -1.741) 9.438 3.100 ( -0.506 1.499 0.303) 1.611 3.114 ( 1.258 3.260 2.001) 4.026 3.190 ( -1.325 1.647 2.232) 3.074 3.198 ( 5.542 -2.850 -0.836) 6.287 3.229 ( 0.012 -6.582 0.677) 6.617 3.299 ( 1.632 -0.948 -1.963) 2.723 3.328 ( 2.731 3.832 -0.217) 4.711 3.420 ( -1.851 -0.874 1.590) 2.592 3.435 ( -0.064 3.627 1.032) 3.772 3.463 ( -7.906 4.046 3.929) 9.711 3.508 ( 3.742 -2.579 0.854) 4.624 3.522 ( -5.318 0.242 5.963) 7.993 3.568 ( -0.035 -2.377 0.579) 2.447 3.620 ( -3.973 -2.908 2.773) 5.651 3.625 ( -0.358 3.205 0.044) 3.226 3.651 ( -4.967 1.175 0.990) 5.200 3.709 ( -0.560 1.408 1.721) 2.293 3.742 ( -1.087 -4.181 1.104) 4.459 3.852 ( -1.123 3.453 4.258) 5.596 3.876 ( -2.508 -1.789 -1.868) 3.603 3.908 ( -0.357 -4.437 -1.070) 4.578 3.968 ( -2.931 -3.647 0.580) 4.715 4.010 ( -3.699 -0.486 -0.350) 3.747 4.064 ( -3.720 -3.498 -2.108) 5.524 4.123 ( 3.686 0.670 -3.420) 5.073 4.156 ( 0.677 -1.987 0.450) 2.147 4.192 ( -1.290 -1.933 1.165) 2.600 4.229 ( 0.530 -1.172 -1.125) 1.709 4.254 ( 2.911 0.190 -1.237) 3.169 4.280 ( 0.492 -0.693 -0.134) 0.861 4.303 ( 2.142 -0.680 -3.292) 3.986 4.383 ( 0.463 -2.960 -0.988) 3.155 4.426 ( 1.276 5.120 -3.403) 6.279 4.477 ( 1.292 1.871 -2.118) 3.107 4.492 ( 6.727 2.955 -4.562) 8.648 4.568 ( 3.444 -0.226 -1.913) 3.946 4.599 ( 3.288 0.339 0.251) 3.314 4.618 ( -0.962 1.829 -1.559) 2.589 4.651 ( 2.754 0.258 -0.894) 2.907 4.704 ( 3.055 3.531 5.638) 7.320 4.719 ( -3.471 -0.643 4.280) 5.548 4.742 ( -2.182 2.665 2.710) 4.383 4.802 ( 3.381 -1.045 2.727) 4.467 4.876 ( -0.262 -0.629 1.250) 1.424 4.947 ( 0.920 0.358 0.713) 1.217 4.970 ( -1.278 -1.205 0.375) 1.796 4.995 ( -0.626 7.383 -0.021) 7.409 5.049 ( 0.722 -1.913 3.446) 4.007 5.060 ( 1.710 -0.555 0.573) 1.887 5.102 ( 1.067 -0.636 3.883) 4.077 5.156 ( 0.435 -2.312 0.229) 2.364 5.201 ( -0.845 -0.280 -1.003) 1.341 5.239 ( -0.526 -0.595 1.390) 1.600 5.304 ( 0.031 -0.242 -1.052) 1.080 5.351 ( 1.052 0.083 -0.688) 1.260 5.405 ( -0.217 1.288 -0.489) 1.395 5.501 ( -0.439 0.856 -1.112) 1.470 5.523 ( 0.551 -1.137 -1.821) 2.217 5.564 ( -1.438 0.189 0.384) 1.501 5.641 ( -0.864 -1.866 -1.409) 2.493 6.138 ( -3.898 0.038 -0.393) 3.918 6.146 ( -1.701 -0.356 -0.138) 1.744 6.171 ( -2.953 0.475 -0.693) 3.070 6.182 ( 0.243 -0.119 0.490) 0.559 6.336 ( 2.211 0.342 3.262) 3.955 6.363 ( 3.529 -0.867 2.879) 4.637 6.494 ( 1.824 1.138 -1.976) 2.920 6.527 ( 0.131 -0.003 -1.457) 1.463 6.627 ( 1.374 1.445 -1.499) 2.494 6.732 ( 2.012 -3.215 -2.288) 4.430 7.049 ( 0.531 3.082 1.674) 3.548 7.169 ( 2.468 -3.023 -0.638) 3.955 7.226 ( 0.284 1.037 3.221) 3.396 7.265 ( -2.394 0.653 2.827) 3.761 7.395 ( 3.379 0.455 1.486) 3.720 7.475 ( -1.011 -2.788 -0.366) 2.988 7.496 ( -1.814 1.264 -0.125) 2.214 7.569 ( 0.989 -0.400 -0.244) 1.094 7.665 ( -1.347 -0.828 -4.361) 4.638 7.706 ( 1.033 -0.993 -4.204) 4.442 7.919 ( 2.781 3.521 -1.294) 4.669 7.987 ( -3.877 1.545 -3.955) 5.750 8.037 ( -0.284 -0.846 -0.873) 1.248 8.088 ( -1.308 1.313 2.992) 3.520 8.127 ( 0.878 -1.742 0.662) 2.060 8.185 ( -0.308 -0.598 -3.232) 3.301 8.207 ( 2.274 0.779 1.550) 2.860 8.250 ( -3.611 -0.292 0.333) 3.638 8.297 ( -0.278 4.478 2.509) 5.141 8.463 ( 1.138 -0.411 0.006) 1.210 8.484 ( -3.619 -1.645 3.753) 5.467 8.523 ( 2.504 -2.836 2.350) 4.454 8.623 ( 4.327 0.774 3.102) 5.381 8.667 ( -0.836 4.162 2.052) 4.715 8.703 ( 2.631 -1.128 0.786) 2.969 8.738 ( 0.378 -0.098 2.125) 2.160 8.779 ( 3.436 1.184 -0.068) 3.635 8.888 ( 2.324 -2.674 2.134) 4.136 9.012 ( -1.239 0.270 -4.153) 4.342 9.036 ( -2.765 -0.527 -1.609) 3.242 9.106 ( 0.719 -2.276 -0.654) 2.475 9.161 ( -2.218 -3.352 -2.337) 4.649 9.244 ( 1.157 2.631 -5.988) 6.642 9.333 ( 2.407 -1.312 -6.086) 6.674 9.516 ( 4.079 2.552 0.169) 4.815 9.549 ( 0.948 0.870 -1.584) 2.040 9.671 ( 1.806 -0.780 -1.075) 2.241 9.705 ( 4.274 -1.004 0.814) 4.465 9.753 ( -4.036 2.542 4.502) 6.559 9.829 ( -5.805 -0.467 3.470) 6.779 9.984 ( -2.020 0.747 2.902) 3.614 10.069 ( 0.498 -3.147 2.666) 4.154 10.178 ( -0.752 3.738 0.201) 3.818 10.290 ( -0.043 -0.533 0.556) 0.771 10.360 ( -0.069 1.263 2.954) 3.214 10.465 ( 1.298 -2.552 1.299) 3.144 10.512 ( 1.548 -0.099 2.585) 3.015 10.543 ( 2.197 -0.311 1.759) 2.831 10.617 ( -3.480 0.432 4.208) 5.478 10.688 ( -1.861 -1.486 3.386) 4.140 10.804 ( -2.471 0.003 -4.409) 5.054 10.815 ( -2.740 -0.199 -3.257) 4.261 10.945 ( -0.727 0.406 -1.354) 1.589 10.996 ( -2.264 -1.781 1.132) 3.095 11.049 ( -0.942 1.018 0.248) 1.409 11.079 ( -0.710 -0.122 -2.704) 2.799 11.103 ( -1.761 2.403 2.060) 3.622 11.196 ( 2.034 -1.814 0.910) 2.874 11.290 ( 6.520 0.769 -4.043) 7.710 11.327 ( 7.214 -1.056 -4.653) 8.649 11.427 ( -5.072 1.041 1.763) 5.469 11.456 ( -6.525 -0.289 2.139) 6.872 11.773 ( -10.608 1.058 -0.374) 10.667 11.814 ( -8.858 -0.206 -1.179) 8.938 11.873 ( 0.097 -0.106 1.273) 1.281 11.887 ( 3.753 -0.104 -0.588) 3.800 11.948 ( -3.545 0.025 0.509) 3.582 11.952 ( -1.578 -0.070 1.218) 1.995 12.023 ( 2.943 0.363 0.426) 2.996 12.037 ( 3.737 0.206 0.563) 3.785 12.119 ( 1.728 -0.149 0.159) 1.741 12.155 ( 3.756 0.012 0.682) 3.818 12.180 ( -0.811 0.336 -2.546) 2.693 12.210 ( 2.647 -1.038 -1.696) 3.311 12.262 ( 1.682 1.336 -0.325) 2.173 12.309 ( 0.777 -0.696 0.261) 1.075 12.446 ( 1.954 3.002 1.006) 3.720 12.498 ( 1.565 -0.414 -3.522) 3.876 12.507 ( 2.745 -1.286 -1.940) 3.599 12.592 ( -2.669 0.250 3.153) 4.139 12.604 ( -3.539 0.536 2.853) 4.577 12.639 ( 0.189 -2.067 1.909) 2.820 12.795 ( 1.371 -0.081 -4.561) 4.764 12.820 ( -0.210 0.008 -1.105) 1.124 12.826 ( -0.742 -0.179 -0.555) 0.944 12.893 ( 1.640 -1.172 -2.952) 3.574 13.010 ( 1.491 0.311 -3.670) 3.973 13.077 ( 1.756 -2.056 -2.562) 3.725 13.154 ( 0.748 3.028 -0.472) 3.155 13.225 ( 1.454 -0.847 -7.808) 7.988 13.238 ( 3.012 0.913 -1.952) 3.703 13.327 ( 5.418 -0.901 0.782) 5.548 13.366 ( 1.591 1.119 3.613) 4.103 13.439 ( 0.016 2.261 5.154) 5.628 13.509 ( 0.524 -3.255 2.716) 4.271 13.651 ( 1.143 -2.732 -4.325) 5.242 13.726 ( -0.633 1.159 -0.853) 1.572 13.780 ( -2.110 -0.104 0.135) 2.116 13.876 ( -0.460 4.810 1.151) 4.967 14.016 ( -3.565 -2.474 9.934) 10.840 14.039 ( -3.810 2.574 5.394) 7.088 14.213 ( 1.323 -1.680 -7.126) 7.440 14.362 ( -3.782 2.124 1.841) 4.712 14.505 ( 1.172 0.542 0.749) 1.492 14.598 ( 3.091 -1.172 4.750) 5.787 14.643 ( 1.610 -5.371 -0.352) 5.618 14.761 ( -2.141 -0.246 -0.094) 2.157 14.796 ( -1.001 -0.914 0.724) 1.536 14.961 ( -0.091 6.846 -3.000) 7.475 15.137 ( -0.117 -2.699 -4.793) 5.502 ======================= Grid point 60 (31/69) ======================= q-point: (-0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -19.174 18.471 1.296) 26.655 1.851 ( -27.813 9.061 -7.686) 30.245 2.278 ( -4.645 -5.833 -5.778) 9.433 2.293 ( -16.411 -8.250 -7.983) 20.028 2.414 ( -12.129 -6.512 -2.823) 14.053 2.491 ( -5.523 -2.678 3.073) 6.864 2.557 ( -5.148 0.175 -0.293) 5.160 2.606 ( -10.353 -2.955 0.144) 10.768 2.899 ( -19.362 6.048 1.118) 20.315 2.961 ( -0.650 6.278 4.234) 7.601 2.981 ( 3.770 2.810 -2.731) 5.437 3.006 ( -8.986 6.490 -1.037) 11.133 3.027 ( -2.136 2.818 -5.818) 6.808 3.146 ( -1.636 0.857 1.334) 2.278 3.164 ( -3.525 1.469 1.670) 4.168 3.192 ( 0.032 -1.443 3.312) 3.613 3.230 ( -3.525 2.661 -0.893) 4.506 3.256 ( -0.915 -0.217 -1.027) 1.393 3.303 ( -4.550 3.310 2.739) 6.258 3.396 ( 5.456 -2.906 -2.954) 6.851 3.407 ( -2.045 0.093 5.160) 5.551 3.420 ( -0.325 -2.035 2.629) 3.340 3.535 ( -0.544 -4.234 0.498) 4.298 3.551 ( -2.564 0.739 4.409) 5.153 3.581 ( -1.386 -2.279 1.911) 3.281 3.612 ( -1.729 -6.580 6.450) 9.375 3.639 ( 0.629 -6.786 -0.503) 6.834 3.696 ( 1.776 -5.243 0.587) 5.567 3.722 ( 6.199 2.667 0.648) 6.779 3.756 ( 4.473 -2.724 -0.146) 5.240 3.791 ( -3.185 0.373 -1.824) 3.689 3.897 ( -1.152 -2.724 -0.270) 2.970 3.927 ( 2.149 -2.837 0.930) 3.678 3.968 ( 1.557 -3.797 -0.285) 4.114 3.993 ( 1.881 -2.250 3.673) 4.700 4.030 ( 1.680 -1.304 0.209) 2.137 4.077 ( -4.110 -1.781 -2.857) 5.313 4.127 ( 3.146 -1.845 -3.666) 5.171 4.183 ( -0.661 0.508 -1.921) 2.094 4.231 ( 1.790 -2.068 1.363) 3.056 4.283 ( 2.765 1.763 -2.069) 3.878 4.335 ( 1.445 -0.282 -4.048) 4.308 4.365 ( 4.513 2.379 1.704) 5.379 4.401 ( 3.169 1.280 -2.813) 4.426 4.437 ( 3.838 3.802 -0.923) 5.481 4.495 ( 2.217 3.530 -5.178) 6.647 4.530 ( 1.973 3.743 -0.610) 4.275 4.560 ( 2.918 -0.202 -2.256) 3.694 4.614 ( -0.283 3.450 1.613) 3.819 4.670 ( 0.100 0.634 3.523) 3.581 4.704 ( 0.938 3.170 2.115) 3.925 4.709 ( 0.889 -1.026 1.746) 2.212 4.752 ( 3.321 3.425 -0.167) 4.774 4.794 ( -0.340 -1.013 3.831) 3.977 4.845 ( 0.171 1.894 -1.097) 2.196 4.891 ( 0.020 2.836 1.078) 3.034 4.930 ( -1.229 1.306 1.451) 2.307 4.956 ( -2.171 -2.235 -0.880) 3.238 4.979 ( 0.171 2.289 0.632) 2.380 5.089 ( 1.380 -1.410 0.049) 1.974 5.105 ( 0.181 -4.718 -1.644) 4.999 5.142 ( 0.994 -1.309 3.457) 3.828 5.176 ( 2.310 -2.304 0.761) 3.350 5.205 ( 0.566 -0.224 0.758) 0.972 5.234 ( -0.550 -0.206 1.066) 1.218 5.311 ( 0.761 2.476 -0.173) 2.596 5.355 ( -0.043 -0.542 -0.696) 0.883 5.399 ( 0.411 1.902 -0.546) 2.021 5.487 ( 0.029 -1.066 -0.647) 1.247 5.516 ( 0.121 -1.447 -2.692) 3.058 5.547 ( -0.662 1.114 1.481) 1.968 5.616 ( -0.521 -1.753 -0.697) 1.958 6.055 ( -5.065 0.644 -0.118) 5.108 6.082 ( -3.937 -0.681 0.274) 4.005 6.149 ( -0.980 0.859 0.578) 1.426 6.175 ( -1.743 -0.362 0.748) 1.931 6.406 ( 2.752 0.520 2.297) 3.623 6.444 ( 2.845 -1.125 2.634) 4.037 6.507 ( 2.118 1.490 -1.394) 2.941 6.548 ( 3.894 -0.410 -2.331) 4.557 6.655 ( 3.100 1.309 -1.583) 3.719 6.768 ( 3.869 -4.094 -1.711) 5.888 7.060 ( -0.287 3.471 0.234) 3.491 7.182 ( 0.273 -2.405 -2.458) 3.450 7.254 ( 0.133 2.136 2.189) 3.061 7.289 ( 1.325 1.582 3.841) 4.360 7.437 ( -1.315 -0.986 -1.157) 2.010 7.480 ( 3.205 -1.448 1.920) 4.007 7.500 ( 1.143 -0.947 1.403) 2.043 7.559 ( -2.173 -3.687 0.553) 4.315 7.646 ( 3.650 2.391 -2.936) 5.260 7.684 ( -0.427 0.230 -3.213) 3.249 7.867 ( -3.853 1.385 -3.487) 5.378 7.894 ( -5.849 -0.277 -1.688) 6.094 8.030 ( 3.594 3.186 0.381) 4.818 8.106 ( 2.706 -0.333 -0.031) 2.727 8.170 ( 0.871 -1.137 1.453) 2.040 8.194 ( 1.109 -0.803 0.399) 1.426 8.217 ( -0.104 1.284 1.379) 1.887 8.279 ( 0.916 -1.147 3.856) 4.126 8.347 ( 4.952 3.961 1.810) 6.594 8.454 ( -0.248 2.625 -1.419) 2.994 8.484 ( -0.084 -0.820 2.034) 2.195 8.574 ( 2.470 -1.928 1.091) 3.318 8.649 ( -0.568 1.845 0.841) 2.106 8.709 ( 1.501 -1.780 2.908) 3.725 8.801 ( 5.034 -0.894 1.086) 5.227 8.834 ( 6.518 -1.089 0.475) 6.626 8.879 ( 7.279 0.828 1.869) 7.560 8.910 ( -0.269 -1.627 -0.082) 1.651 8.956 ( -1.628 2.777 -2.938) 4.358 8.987 ( 0.549 1.784 -0.044) 1.867 9.081 ( -2.161 -2.513 -4.243) 5.384 9.129 ( 1.541 -4.494 -0.278) 4.759 9.247 ( 3.056 2.859 -4.288) 5.992 9.341 ( 2.886 -1.542 -3.182) 4.564 9.519 ( -2.629 0.989 -2.316) 3.640 9.567 ( 2.705 1.364 -3.843) 4.893 9.688 ( 0.480 -1.137 1.625) 2.041 9.721 ( -7.154 3.033 2.043) 8.034 9.750 ( 2.581 -1.981 0.613) 3.311 9.803 ( 0.448 -0.337 5.068) 5.099 9.979 ( -1.680 0.957 2.824) 3.422 10.084 ( -1.392 -3.980 1.462) 4.463 10.161 ( -0.783 2.678 -1.150) 3.018 10.266 ( -1.641 -2.362 -0.333) 2.895 10.369 ( -1.042 2.605 2.384) 3.682 10.476 ( -1.299 -2.079 2.302) 3.363 10.508 ( -5.773 1.387 -1.654) 6.163 10.607 ( -0.265 0.559 2.770) 2.838 10.632 ( -0.608 -1.870 3.466) 3.985 10.645 ( -3.487 -0.962 2.789) 4.568 10.707 ( -5.218 0.380 -3.653) 6.382 10.750 ( -1.033 -0.991 -2.544) 2.919 10.882 ( -4.858 0.082 1.325) 5.036 10.930 ( -4.256 -2.203 0.853) 4.868 11.006 ( -1.673 2.217 -1.428) 3.123 11.081 ( 0.432 -1.312 0.330) 1.421 11.101 ( 0.243 3.767 0.993) 3.903 11.228 ( 0.624 -2.671 0.742) 2.842 11.306 ( -1.965 1.247 -0.254) 2.341 11.339 ( -4.588 -0.445 2.327) 5.163 11.372 ( -3.357 0.778 -0.387) 3.468 11.403 ( -0.091 -0.561 -3.470) 3.516 11.642 ( -1.280 0.420 -2.362) 2.719 11.670 ( -3.216 -0.574 -2.324) 4.009 11.839 ( -3.685 0.057 0.423) 3.710 11.855 ( -3.286 -0.408 -2.454) 4.122 11.948 ( -2.156 0.081 4.368) 4.872 11.956 ( -1.308 -0.285 4.547) 4.740 12.091 ( 2.640 0.760 -1.807) 3.288 12.123 ( 1.289 -0.316 -1.009) 1.667 12.143 ( 3.879 0.570 -2.391) 4.592 12.160 ( 5.547 1.465 -1.056) 5.833 12.198 ( 0.970 -0.854 -2.644) 2.943 12.246 ( 4.045 -1.814 0.821) 4.508 12.328 ( 3.570 1.607 0.273) 3.925 12.344 ( 3.355 1.465 -0.265) 3.670 12.458 ( 0.145 0.111 -2.257) 2.264 12.506 ( 0.738 0.772 0.188) 1.085 12.533 ( 0.767 -1.256 0.676) 1.619 12.566 ( -2.422 -0.483 2.822) 3.750 12.605 ( 0.223 1.356 3.466) 3.728 12.659 ( 0.217 -0.956 2.406) 2.598 12.776 ( 1.083 -0.200 -3.386) 3.560 12.812 ( 1.033 -2.158 -2.153) 3.219 12.822 ( 1.330 2.179 -0.859) 2.693 12.911 ( 1.842 1.630 -2.342) 3.396 13.004 ( 1.565 -1.614 -4.105) 4.681 13.048 ( -1.643 -1.360 -2.309) 3.143 13.131 ( -0.096 0.934 -5.914) 5.988 13.177 ( -1.196 -1.460 -4.276) 4.674 13.263 ( 1.118 1.371 -0.254) 1.787 13.369 ( 0.973 -3.202 -4.386) 5.517 13.429 ( -0.745 2.547 -0.499) 2.700 13.486 ( 0.848 4.606 7.614) 8.939 13.549 ( 4.024 -4.579 -0.359) 6.107 13.677 ( 6.423 2.887 -2.845) 7.596 13.727 ( -1.210 0.311 6.056) 6.183 13.861 ( 9.362 -2.346 -0.136) 9.653 13.883 ( 0.676 3.538 1.358) 3.850 14.018 ( -2.591 -1.948 4.177) 5.288 14.045 ( -4.474 0.848 10.784) 11.706 14.172 ( -1.214 -3.550 -2.430) 4.470 14.344 ( 0.145 4.267 1.564) 4.547 14.523 ( 0.870 -0.241 -1.303) 1.585 14.634 ( 0.802 -2.298 -2.155) 3.251 14.674 ( -1.219 -3.692 -0.084) 3.889 14.728 ( -0.155 1.498 3.194) 3.532 14.784 ( -1.847 -0.833 1.353) 2.436 14.927 ( -1.426 5.307 -1.624) 5.730 15.075 ( -1.826 -2.382 -5.685) 6.428 ======================= Grid point 61 (32/69) ======================= q-point: (-0.22 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -23.124 19.493 1.351) 30.274 1.312 ( -28.647 14.506 -0.136) 32.110 1.906 ( -19.754 -14.779 -2.368) 24.784 2.054 ( -18.200 -12.385 -1.448) 22.062 2.101 ( -30.031 3.180 5.650) 30.723 2.358 ( -5.919 7.984 -3.493) 10.534 2.417 ( -6.241 2.186 2.622) 7.113 2.503 ( -6.533 -0.506 -0.606) 6.581 2.608 ( -5.047 4.205 0.418) 6.583 2.847 ( -7.647 7.526 -5.855) 12.223 2.886 ( -2.147 7.803 -7.845) 11.271 2.912 ( -4.855 9.365 -6.752) 12.525 3.014 ( -3.864 -3.555 1.593) 5.487 3.069 ( -6.205 -5.699 -0.937) 8.476 3.117 ( -6.068 -2.648 7.115) 9.719 3.157 ( -0.879 1.767 1.115) 2.267 3.206 ( -7.343 -1.709 5.062) 9.081 3.261 ( -2.445 -4.645 0.830) 5.314 3.271 ( 0.395 -2.483 0.150) 2.519 3.380 ( -7.517 -4.371 3.896) 9.529 3.412 ( 1.566 -1.374 1.088) 2.350 3.494 ( 1.308 -3.533 0.651) 3.824 3.515 ( 0.519 -5.139 0.424) 5.183 3.548 ( 2.895 -4.295 5.560) 7.599 3.563 ( -0.777 1.089 0.047) 1.338 3.625 ( 0.436 -3.153 -1.590) 3.558 3.678 ( 1.652 -6.409 4.208) 7.843 3.737 ( 0.478 0.090 1.376) 1.460 3.770 ( 1.196 -3.144 0.313) 3.378 3.810 ( 3.980 3.560 2.406) 5.857 3.879 ( 5.960 -3.227 0.642) 6.808 3.909 ( 2.595 -3.088 -1.245) 4.221 3.949 ( -0.267 -2.302 -0.572) 2.386 3.967 ( 0.589 -1.573 -0.011) 1.680 4.048 ( 2.297 3.049 -0.170) 3.821 4.080 ( 3.597 0.759 2.015) 4.193 4.106 ( 6.501 -0.107 -1.438) 6.659 4.145 ( -1.109 -0.376 -0.361) 1.225 4.225 ( 5.470 -3.483 0.222) 6.489 4.249 ( 0.853 1.185 -1.529) 2.114 4.300 ( 1.694 -2.085 -4.048) 4.858 4.314 ( 2.821 2.214 -3.742) 5.183 4.389 ( -0.286 5.637 -1.117) 5.754 4.448 ( 3.593 3.901 -2.303) 5.782 4.488 ( 0.989 6.160 -0.802) 6.290 4.544 ( 4.584 2.422 -1.025) 5.285 4.578 ( 4.479 2.048 0.850) 4.998 4.592 ( 2.697 1.384 0.160) 3.036 4.656 ( -0.309 2.523 3.638) 4.438 4.687 ( 3.302 3.266 -2.199) 5.138 4.718 ( -0.473 -2.610 0.702) 2.744 4.735 ( -0.304 -0.231 -1.504) 1.552 4.781 ( 0.779 0.034 -0.663) 1.024 4.801 ( 0.096 -0.651 1.760) 1.879 4.825 ( -1.386 -2.970 0.383) 3.300 4.878 ( -0.679 -0.945 -1.568) 1.953 4.927 ( -0.027 3.733 0.946) 3.851 4.943 ( 1.831 3.051 -0.572) 3.604 4.994 ( 0.835 2.071 0.871) 2.397 5.097 ( -1.764 -0.141 0.644) 1.883 5.111 ( 0.403 -3.271 -0.559) 3.343 5.118 ( -0.677 -1.756 -0.599) 1.975 5.182 ( -1.943 0.385 -0.206) 1.991 5.215 ( -1.168 -2.512 0.528) 2.820 5.281 ( 2.395 -0.086 1.653) 2.911 5.309 ( -1.458 2.082 1.032) 2.744 5.340 ( -1.041 -0.107 0.250) 1.076 5.400 ( -0.878 0.146 0.950) 1.302 5.480 ( -0.403 -1.167 -1.547) 1.979 5.500 ( 0.704 -2.046 -0.002) 2.164 5.571 ( 1.933 1.465 0.802) 2.555 5.621 ( 1.421 -1.073 -0.273) 1.801 5.966 ( -5.095 1.761 0.572) 5.421 6.035 ( -2.220 -1.332 0.920) 2.748 6.119 ( -2.474 0.889 -0.148) 2.633 6.156 ( -0.981 -0.648 0.222) 1.197 6.463 ( 2.281 0.031 0.601) 2.360 6.510 ( 2.023 -2.172 3.239) 4.393 6.561 ( 5.175 2.642 -0.553) 5.837 6.611 ( 5.172 0.269 -1.541) 5.403 6.705 ( 3.442 1.432 0.096) 3.729 6.824 ( 3.378 -5.035 -0.468) 6.081 7.046 ( -0.511 4.299 -1.603) 4.617 7.159 ( 0.549 -2.217 -3.577) 4.244 7.256 ( -0.810 1.654 0.300) 1.866 7.337 ( 0.302 2.117 2.269) 3.117 7.416 ( -0.722 -1.515 -0.544) 1.765 7.488 ( -1.309 -2.257 -0.908) 2.763 7.530 ( 1.117 2.095 2.025) 3.120 7.595 ( 1.148 -1.542 3.323) 3.839 7.632 ( -2.025 1.140 0.891) 2.489 7.688 ( 1.149 -1.779 -1.914) 2.855 7.795 ( -1.999 1.872 -1.511) 3.128 7.833 ( 2.109 0.313 -1.433) 2.569 8.096 ( 2.665 2.020 -0.432) 3.372 8.158 ( 3.600 0.611 0.519) 3.688 8.195 ( 1.443 -2.123 0.859) 2.706 8.226 ( 1.722 -0.509 0.855) 1.989 8.261 ( 3.551 1.641 1.353) 4.140 8.321 ( 2.000 0.466 1.350) 2.457 8.427 ( 1.977 1.594 -2.755) 3.747 8.467 ( 2.609 0.682 1.734) 3.206 8.512 ( 1.468 1.194 1.147) 2.213 8.615 ( 0.613 -2.571 0.934) 2.803 8.711 ( 6.550 2.346 4.582) 8.330 8.785 ( 4.100 -1.396 4.075) 5.947 8.823 ( -2.667 1.788 -2.365) 3.988 8.847 ( -3.253 0.333 -1.460) 3.581 8.882 ( 2.712 -0.083 -5.852) 6.451 8.952 ( 1.735 1.283 -1.264) 2.501 9.014 ( 2.615 -0.705 -0.574) 2.768 9.047 ( 4.674 -1.565 -0.257) 4.936 9.120 ( 8.569 -1.710 3.219) 9.312 9.149 ( 0.930 -2.835 3.004) 4.234 9.266 ( 3.641 3.159 -3.483) 5.947 9.357 ( 0.759 -0.440 -4.685) 4.767 9.422 ( -5.553 -0.377 -1.924) 5.889 9.543 ( -0.289 1.199 -5.531) 5.667 9.600 ( -5.311 0.072 0.331) 5.322 9.728 ( 0.604 -2.440 -2.875) 3.819 9.777 ( -1.825 0.072 4.006) 4.403 9.842 ( -2.080 -1.910 7.808) 8.303 9.965 ( -1.743 0.833 0.451) 1.984 10.061 ( -1.602 -3.427 -1.003) 3.913 10.137 ( -1.197 2.055 0.193) 2.386 10.220 ( -7.369 0.058 0.182) 7.371 10.285 ( -6.932 -1.403 -4.986) 8.654 10.342 ( -10.698 -2.446 -2.442) 11.243 10.475 ( -0.204 1.844 4.012) 4.420 10.515 ( -1.648 0.243 1.720) 2.395 10.582 ( -4.845 -1.382 0.702) 5.087 10.605 ( -4.145 -1.661 -2.239) 4.995 10.706 ( 0.950 2.311 5.394) 5.944 10.800 ( 4.018 -1.421 4.199) 5.983 10.842 ( -1.857 -0.355 2.491) 3.127 10.872 ( -2.682 -1.042 -1.596) 3.290 10.967 ( -1.211 2.835 -2.349) 3.876 11.075 ( -0.697 -0.976 -1.277) 1.751 11.111 ( 0.074 2.231 -1.171) 2.520 11.213 ( -3.032 -1.854 -1.195) 3.749 11.259 ( -4.250 0.903 4.196) 6.040 11.290 ( -4.669 0.315 1.576) 4.938 11.296 ( -3.061 -0.514 2.792) 4.174 11.333 ( -3.911 -1.114 -0.284) 4.076 11.657 ( 4.732 -0.239 -5.118) 6.974 11.676 ( 5.670 -0.287 -5.217) 7.710 11.778 ( -2.564 -0.397 -2.772) 3.797 11.783 ( -3.057 -1.247 0.733) 3.382 11.932 ( -3.463 0.337 3.523) 4.952 11.951 ( -3.251 -0.416 4.268) 5.381 12.075 ( -0.961 0.600 -1.772) 2.103 12.127 ( -0.468 -1.850 -2.072) 2.817 12.164 ( 2.603 1.441 -0.729) 3.063 12.218 ( 3.117 0.496 -0.227) 3.164 12.265 ( 1.599 -0.295 -2.023) 2.596 12.316 ( 6.658 1.782 -2.197) 7.234 12.370 ( 1.874 4.298 -0.046) 4.689 12.413 ( 2.724 1.275 1.574) 3.394 12.493 ( 2.802 -0.959 1.989) 3.568 12.526 ( 2.961 0.481 1.297) 3.268 12.551 ( -0.885 -1.967 1.795) 2.806 12.555 ( 3.076 -1.341 -1.514) 3.681 12.649 ( 0.544 1.205 2.893) 3.180 12.700 ( 1.351 0.217 4.217) 4.433 12.764 ( -0.217 0.349 -1.304) 1.367 12.820 ( -0.357 -1.840 -1.407) 2.344 12.844 ( 1.723 2.853 -1.479) 3.646 12.907 ( 0.045 1.841 -1.697) 2.504 12.951 ( -1.353 1.243 -2.423) 3.041 13.028 ( -0.745 -2.571 -3.800) 4.648 13.087 ( 0.963 -2.067 -3.187) 3.919 13.120 ( 1.019 -1.764 -4.892) 5.299 13.246 ( -1.949 0.403 -2.672) 3.332 13.331 ( 0.970 -4.453 -6.309) 7.783 13.378 ( -0.254 6.298 -4.947) 8.013 13.544 ( 2.606 4.231 -1.197) 5.111 13.630 ( 3.493 -1.268 2.396) 4.421 13.785 ( 5.492 1.436 0.354) 5.687 13.820 ( 0.100 -1.758 13.912) 14.023 13.906 ( 0.104 3.731 4.790) 6.072 13.999 ( 2.919 -2.575 -2.411) 4.579 14.013 ( -0.773 -2.471 4.088) 4.839 14.065 ( -3.152 0.859 8.491) 9.098 14.170 ( 4.026 -2.320 2.017) 5.065 14.388 ( 3.434 2.748 0.353) 4.413 14.512 ( 0.100 0.801 -2.469) 2.598 14.616 ( -0.768 -3.356 -1.865) 3.916 14.639 ( -0.259 -1.517 -1.344) 2.043 14.750 ( -1.659 1.625 0.922) 2.498 14.774 ( 0.345 0.218 1.859) 1.903 14.881 ( -3.444 2.561 0.211) 4.297 14.977 ( -3.464 -1.981 -6.002) 7.208 ======================= Grid point 62 (33/69) ======================= q-point: (-0.11 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -21.039 19.565 11.042) 30.779 0.928 ( -22.681 20.317 13.564) 33.334 1.570 ( -32.013 29.164 25.966) 50.493 1.624 ( -14.232 -14.558 5.547) 21.101 1.877 ( -7.358 -28.213 1.318) 29.187 2.246 ( -2.701 4.477 -5.092) 7.298 2.367 ( -2.027 13.029 1.540) 13.275 2.401 ( -2.413 -3.674 -4.194) 6.075 2.534 ( -4.061 3.199 -4.723) 7.003 2.672 ( -4.614 3.096 -8.195) 9.901 2.750 ( -0.191 9.260 -14.610) 17.298 2.821 ( -1.457 14.760 -1.969) 14.962 2.913 ( -3.289 -6.157 -7.482) 10.233 2.965 ( -7.911 -21.625 8.004) 24.378 3.084 ( -5.100 -1.646 -2.621) 5.966 3.116 ( -3.015 -8.621 -1.454) 9.248 3.140 ( -5.671 -2.337 6.908) 9.238 3.199 ( 0.738 -1.815 3.579) 4.080 3.293 ( -1.611 -3.867 2.801) 5.040 3.311 ( -4.905 3.507 8.471) 10.398 3.447 ( -1.166 -3.897 3.297) 5.236 3.491 ( 0.134 -4.656 -0.466) 4.681 3.550 ( 0.917 2.882 0.066) 3.025 3.584 ( 4.153 0.585 2.270) 4.769 3.628 ( 1.972 -2.199 -0.122) 2.956 3.669 ( 1.974 -1.214 3.673) 4.343 3.722 ( 0.346 -2.956 0.835) 3.091 3.776 ( 1.143 -2.516 -1.531) 3.160 3.799 ( 1.616 -1.527 5.676) 6.096 3.870 ( -0.419 -0.200 -3.503) 3.534 3.886 ( 0.568 0.764 1.151) 1.494 3.937 ( 1.947 -5.150 -1.828) 5.801 3.981 ( 0.630 0.245 -0.909) 1.133 3.995 ( 1.383 0.210 2.762) 3.096 4.088 ( -0.226 2.954 -2.293) 3.747 4.123 ( 3.795 1.286 0.505) 4.039 4.145 ( 0.686 -0.029 -0.619) 0.925 4.180 ( 1.821 1.630 -1.371) 2.802 4.241 ( 1.887 0.225 -2.804) 3.388 4.279 ( 1.232 -3.213 -6.976) 7.779 4.293 ( 2.475 1.567 -1.978) 3.534 4.362 ( 3.240 -0.426 1.142) 3.462 4.399 ( 1.672 1.600 2.307) 3.267 4.454 ( -0.497 4.049 -2.205) 4.637 4.508 ( 0.132 7.703 -0.084) 7.705 4.570 ( 3.449 0.398 -4.580) 5.747 4.612 ( 1.853 -0.994 -4.467) 4.938 4.648 ( 1.349 2.511 -1.154) 3.075 4.670 ( 0.144 2.119 0.835) 2.282 4.707 ( 3.451 -0.036 0.970) 3.585 4.725 ( -0.439 -1.052 1.199) 1.654 4.743 ( 1.483 3.160 -1.246) 3.707 4.799 ( 1.757 0.049 -1.229) 2.145 4.812 ( 0.508 -5.103 0.729) 5.179 4.862 ( 2.289 -0.254 -0.270) 2.319 4.894 ( 2.208 -0.682 0.823) 2.453 4.921 ( 0.071 2.701 2.042) 3.387 4.962 ( 0.848 1.580 -0.184) 1.802 5.014 ( -0.846 0.463 0.742) 1.217 5.055 ( -1.366 -1.795 -2.029) 3.034 5.106 ( -0.000 4.547 1.754) 4.874 5.120 ( 0.247 1.483 0.631) 1.631 5.156 ( -0.492 -0.313 -1.093) 1.239 5.195 ( -1.402 -2.084 1.283) 2.820 5.259 ( -3.304 3.403 0.894) 4.827 5.293 ( -1.780 -2.201 0.880) 2.964 5.359 ( 0.608 -0.295 2.075) 2.182 5.384 ( -2.711 -2.250 3.353) 4.864 5.481 ( 1.140 -1.363 -0.240) 1.793 5.514 ( 0.556 -2.107 0.510) 2.238 5.611 ( 1.909 1.448 -0.362) 2.423 5.643 ( 1.353 -0.309 -1.168) 1.814 5.899 ( -3.326 2.817 1.382) 4.573 6.013 ( -1.304 -2.257 0.752) 2.713 6.077 ( -1.482 1.420 -1.171) 2.363 6.135 ( -0.764 -1.094 -1.323) 1.879 6.498 ( 1.359 -0.282 -0.054) 1.389 6.548 ( -0.234 -3.097 1.058) 3.281 6.672 ( 6.485 2.358 -1.417) 7.044 6.712 ( 7.220 0.508 1.450) 7.382 6.775 ( 2.931 1.337 2.648) 4.170 6.876 ( 2.084 -3.517 1.681) 4.420 7.024 ( 0.572 3.973 -2.230) 4.591 7.138 ( 1.255 -2.507 -4.815) 5.572 7.246 ( -1.317 0.898 1.349) 2.088 7.317 ( -3.381 -0.863 0.318) 3.504 7.431 ( 2.901 1.286 -0.965) 3.317 7.451 ( -1.013 1.552 -1.960) 2.698 7.557 ( 0.427 2.998 0.860) 3.148 7.586 ( -0.985 0.998 -0.900) 1.666 7.654 ( -2.327 -1.334 1.642) 3.145 7.664 ( -0.734 -1.168 4.348) 4.562 7.790 ( 1.150 3.476 -1.120) 3.829 7.870 ( 2.715 -0.782 -1.977) 3.448 8.114 ( 0.021 1.382 0.281) 1.411 8.206 ( 0.181 -0.736 -0.563) 0.944 8.240 ( 2.165 1.029 1.360) 2.756 8.306 ( 6.119 -1.486 2.222) 6.678 8.344 ( 3.495 -1.251 -1.965) 4.201 8.367 ( 5.176 -0.695 -3.306) 6.181 8.441 ( 3.731 2.112 -2.469) 4.947 8.518 ( 2.977 -1.657 0.718) 3.482 8.559 ( 2.208 1.580 3.196) 4.193 8.623 ( -0.388 -1.116 1.422) 1.849 8.718 ( -3.901 5.062 -6.916) 9.416 8.770 ( -2.162 0.602 -8.223) 8.524 8.788 ( -2.186 0.546 -1.224) 2.564 8.854 ( -2.106 -1.286 -1.980) 3.164 8.952 ( 5.594 0.848 6.688) 8.760 8.975 ( 6.306 0.255 5.856) 8.610 9.069 ( 2.412 -0.022 0.344) 2.437 9.138 ( 0.580 0.266 0.389) 0.747 9.175 ( -0.986 2.267 2.165) 3.286 9.188 ( -2.562 2.533 -1.528) 3.913 9.271 ( 2.857 -1.125 0.612) 3.131 9.367 ( 3.518 -2.798 -0.697) 4.549 9.412 ( 0.343 -5.937 1.492) 6.131 9.427 ( -2.798 -6.248 -1.441) 6.996 9.562 ( -1.513 3.253 0.890) 3.696 9.675 ( -1.157 -0.958 -2.881) 3.249 9.761 ( -2.953 2.052 2.224) 4.228 9.839 ( -6.426 -2.243 5.805) 8.946 9.929 ( -3.584 0.817 1.970) 4.171 9.979 ( -5.376 -1.459 -1.910) 5.889 10.036 ( -9.602 -1.450 -2.519) 10.032 10.049 ( -5.776 -1.177 1.101) 5.997 10.199 ( 1.343 1.346 -0.911) 2.108 10.239 ( -0.975 0.676 -4.633) 4.782 10.463 ( -2.363 0.015 -1.457) 2.776 10.494 ( -1.823 0.476 -6.562) 6.827 10.518 ( -3.294 -1.335 2.043) 4.100 10.594 ( 1.877 -1.504 2.610) 3.550 10.761 ( -0.372 2.455 5.603) 6.128 10.811 ( -2.202 1.130 -0.055) 2.476 10.843 ( 1.462 -0.074 0.280) 1.491 10.909 ( 0.325 -3.448 1.025) 3.612 10.941 ( 0.898 1.257 4.748) 4.993 11.029 ( -1.662 1.743 -3.724) 4.435 11.089 ( -1.281 -2.665 -0.768) 3.055 11.121 ( -3.689 -1.551 -2.092) 4.516 11.210 ( -5.294 1.102 3.943) 6.692 11.253 ( -2.662 -0.995 2.417) 3.730 11.286 ( -0.123 1.050 2.639) 2.842 11.314 ( -1.501 -1.191 3.693) 4.161 11.679 ( 2.845 0.334 -5.177) 5.916 11.708 ( 2.653 0.971 -4.995) 5.739 11.738 ( -1.268 -2.852 -1.534) 3.478 11.748 ( 1.894 -0.972 -3.497) 4.094 11.903 ( -3.035 0.006 3.196) 4.407 11.933 ( -2.433 -0.884 3.498) 4.351 12.054 ( -0.475 0.387 0.800) 1.008 12.097 ( -0.613 -1.574 -0.911) 1.919 12.210 ( 1.854 1.500 0.168) 2.391 12.237 ( -0.227 2.914 -1.178) 3.152 12.286 ( 3.125 -1.403 0.629) 3.483 12.377 ( 2.540 -0.392 -2.021) 3.270 12.412 ( 3.988 6.905 -2.896) 8.484 12.461 ( 0.807 0.961 3.826) 4.027 12.531 ( 0.515 -0.490 0.630) 0.950 12.572 ( 2.665 -1.608 -0.531) 3.158 12.594 ( 3.938 0.129 0.211) 3.946 12.644 ( -0.869 1.510 -1.941) 2.609 12.677 ( 5.758 0.828 2.400) 6.293 12.742 ( -2.291 0.784 0.057) 2.422 12.763 ( 0.221 -0.096 3.378) 3.386 12.787 ( 1.076 1.229 2.261) 2.789 12.839 ( -3.088 0.767 -1.950) 3.732 12.869 ( -0.583 -0.362 0.673) 0.961 12.907 ( -4.286 0.082 -0.666) 4.339 13.023 ( 2.399 -3.519 -2.330) 4.854 13.074 ( 2.995 0.279 -3.458) 4.583 13.148 ( 3.638 -2.305 -4.379) 6.142 13.183 ( -0.221 0.804 -5.064) 5.132 13.293 ( 2.842 -2.053 -7.685) 8.447 13.366 ( 2.521 3.974 -3.672) 5.970 13.556 ( 2.853 2.158 -7.637) 8.434 13.701 ( 2.042 0.872 1.692) 2.792 13.863 ( 0.299 -1.462 6.952) 7.110 13.896 ( -5.002 -2.303 11.619) 12.858 13.941 ( -2.746 0.828 4.994) 5.759 13.987 ( -0.613 -2.298 1.212) 2.670 14.040 ( 0.543 -2.016 2.594) 3.330 14.118 ( 1.354 5.895 7.891) 9.942 14.304 ( 6.505 -4.124 1.890) 7.931 14.453 ( 4.217 1.260 -1.464) 4.639 14.494 ( -0.144 1.536 -2.115) 2.618 14.599 ( 0.583 -1.556 -0.833) 1.858 14.631 ( 1.062 -1.973 -2.024) 3.019 14.737 ( 0.087 2.312 0.209) 2.323 14.776 ( -2.609 0.618 0.804) 2.799 14.812 ( -3.877 0.693 0.511) 3.971 14.862 ( -3.442 -1.501 -4.538) 5.891 ======================= Grid point 63 (34/69) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 2.588 -20.048 16.782) 26.272 1.196 ( 2.588 20.048 16.782) 26.272 1.353 ( 1.203 -27.173 12.353) 29.874 1.353 ( 1.203 27.173 12.353) 29.874 2.193 ( -2.280 -20.410 8.399) 22.189 2.193 ( -2.280 20.410 8.399) 22.189 2.342 ( -1.696 -23.725 7.243) 24.864 2.342 ( -1.696 23.725 7.243) 24.864 2.502 ( -0.855 -2.328 -3.456) 4.254 2.502 ( -0.855 2.328 -3.456) 4.254 2.628 ( 2.341 -8.479 -10.934) 14.033 2.628 ( 2.341 8.479 -10.934) 14.033 2.819 ( 1.682 -7.926 -13.674) 15.894 2.819 ( 1.682 7.926 -13.674) 15.894 3.068 ( -1.807 -4.999 6.478) 8.380 3.068 ( -1.807 4.999 6.478) 8.380 3.165 ( -1.283 -8.622 0.532) 8.733 3.165 ( -1.283 8.622 0.532) 8.733 3.270 ( 0.820 -6.579 1.221) 6.741 3.270 ( 0.820 6.579 1.221) 6.741 3.465 ( 0.511 -4.566 4.474) 6.413 3.465 ( 0.511 4.566 4.474) 6.413 3.614 ( -1.522 -1.607 2.983) 3.714 3.614 ( -1.522 1.607 2.983) 3.714 3.689 ( 1.480 -2.129 3.153) 4.082 3.689 ( 1.480 2.129 3.153) 4.082 3.752 ( -0.917 -1.474 -2.757) 3.258 3.752 ( -0.917 1.474 -2.757) 3.258 3.800 ( 0.560 -5.164 -0.515) 5.220 3.800 ( 0.560 5.164 -0.515) 5.220 3.913 ( 0.578 -0.633 1.484) 1.714 3.913 ( 0.578 0.633 1.484) 1.714 3.994 ( -0.826 -2.973 -2.712) 4.108 3.994 ( -0.826 2.973 -2.712) 4.108 4.098 ( -0.808 -1.466 -4.836) 5.118 4.098 ( -0.808 1.466 -4.836) 5.118 4.131 ( -0.360 -4.068 -5.508) 6.857 4.131 ( -0.360 4.068 -5.508) 6.857 4.228 ( -0.004 -0.568 -0.506) 0.761 4.228 ( -0.004 0.568 -0.506) 0.761 4.376 ( 0.496 -1.002 0.766) 1.355 4.376 ( 0.496 1.002 0.766) 1.355 4.444 ( 0.665 -3.830 -0.629) 3.938 4.444 ( 0.665 3.830 -0.629) 3.938 4.577 ( 2.680 -1.614 -4.056) 5.122 4.577 ( 2.680 1.614 -4.056) 5.122 4.646 ( -2.884 -5.075 -1.628) 6.060 4.646 ( -2.884 5.075 -1.628) 6.060 4.713 ( -0.460 -2.168 -1.217) 2.529 4.713 ( -0.460 2.168 -1.217) 2.529 4.733 ( -1.619 -2.821 1.284) 3.497 4.733 ( -1.619 2.821 1.284) 3.497 4.795 ( 0.917 -0.220 -2.200) 2.393 4.795 ( 0.917 0.220 -2.200) 2.393 4.910 ( 1.561 -0.893 2.266) 2.893 4.910 ( 1.561 0.893 2.266) 2.893 4.953 ( 0.080 -2.119 0.323) 2.145 4.953 ( 0.080 2.119 0.323) 2.145 5.042 ( -0.625 -1.363 1.176) 1.905 5.042 ( -0.625 1.363 1.176) 1.905 5.148 ( 0.514 -2.050 2.432) 3.222 5.148 ( 0.514 2.050 2.432) 3.222 5.180 ( 0.171 -4.120 -0.145) 4.126 5.180 ( 0.171 4.120 -0.145) 4.126 5.280 ( -1.945 -5.094 2.670) 6.071 5.280 ( -1.945 5.094 2.670) 6.071 5.344 ( 2.100 -5.008 0.707) 5.476 5.344 ( 2.100 5.008 0.707) 5.476 5.489 ( -0.913 -1.474 1.870) 2.551 5.489 ( -0.913 1.474 1.870) 2.551 5.635 ( -0.148 -0.616 -2.070) 2.165 5.635 ( -0.148 0.616 -2.070) 2.165 5.944 ( -0.591 -3.770 1.130) 3.980 5.944 ( -0.591 3.770 1.130) 3.980 6.085 ( 0.231 -1.953 -2.193) 2.946 6.085 ( 0.231 1.953 -2.193) 2.946 6.504 ( -0.680 -0.512 -0.519) 0.997 6.504 ( -0.680 0.512 -0.519) 0.997 6.748 ( -0.572 -2.311 -1.821) 2.998 6.748 ( -0.572 2.311 -1.821) 2.998 6.858 ( -1.155 -1.752 2.924) 3.599 6.858 ( -1.155 1.752 2.924) 3.599 7.104 ( 4.589 -3.140 -3.115) 6.373 7.104 ( 4.589 3.140 -3.115) 6.373 7.240 ( -2.585 -1.587 1.062) 3.214 7.240 ( -2.585 1.587 1.062) 3.214 7.440 ( 0.105 -2.117 -2.662) 3.402 7.440 ( 0.105 2.117 -2.662) 3.402 7.554 ( -1.482 -0.072 -2.145) 2.608 7.554 ( -1.482 0.072 -2.145) 2.608 7.672 ( -1.082 -0.529 3.392) 3.600 7.672 ( -1.082 0.529 3.392) 3.600 7.850 ( 0.300 -2.589 -1.442) 2.979 7.850 ( 0.300 2.589 -1.442) 2.979 8.152 ( 0.128 -2.873 -0.961) 3.032 8.152 ( 0.128 2.873 -0.961) 3.032 8.301 ( -0.635 -1.544 -0.893) 1.894 8.301 ( -0.635 1.544 -0.893) 1.894 8.355 ( -0.596 -0.238 -2.706) 2.781 8.355 ( -0.596 0.238 -2.706) 2.781 8.582 ( 2.335 -1.901 0.221) 3.019 8.582 ( 2.335 1.901 0.221) 3.019 8.602 ( -1.218 -1.586 3.930) 4.410 8.602 ( -1.218 1.586 3.930) 4.410 8.768 ( 4.642 -1.840 -1.164) 5.127 8.768 ( 4.642 1.840 -1.164) 5.127 8.786 ( 1.045 -1.819 -2.701) 3.420 8.786 ( 1.045 1.819 -2.701) 3.420 9.031 ( -0.666 -1.553 -2.035) 2.645 9.031 ( -0.666 1.553 -2.035) 2.645 9.096 ( -3.346 -3.653 4.504) 6.696 9.096 ( -3.346 3.653 4.504) 6.696 9.166 ( 1.115 -2.172 2.042) 3.183 9.166 ( 1.115 2.172 2.042) 3.183 9.302 ( 0.586 -0.185 2.362) 2.440 9.302 ( 0.586 0.185 2.362) 2.440 9.467 ( 1.026 -2.821 4.729) 5.601 9.467 ( 1.026 2.821 4.729) 5.601 9.614 ( 2.138 -3.690 -0.917) 4.362 9.614 ( 2.138 3.690 -0.917) 4.362 9.746 ( -3.417 -0.943 1.123) 3.718 9.746 ( -3.417 0.943 1.123) 3.718 9.916 ( -1.672 -1.173 0.601) 2.128 9.916 ( -1.672 1.173 0.601) 2.128 9.978 ( 2.153 -3.391 1.474) 4.278 9.978 ( 2.153 3.391 1.474) 4.278 10.226 ( 1.960 -1.202 -2.565) 3.445 10.226 ( 1.960 1.202 -2.565) 3.445 10.380 ( -1.571 -1.305 -6.400) 6.718 10.380 ( -1.571 1.305 -6.400) 6.718 10.542 ( -1.621 -2.746 -1.441) 3.499 10.542 ( -1.621 2.746 -1.441) 3.499 10.812 ( -2.921 -1.545 7.293) 8.007 10.812 ( -2.921 1.545 7.293) 8.007 10.900 ( 0.840 -2.359 1.353) 2.846 10.900 ( 0.840 2.359 1.353) 2.846 10.968 ( -0.665 -1.758 -2.634) 3.236 10.968 ( -0.665 1.758 -2.634) 3.236 11.052 ( 1.169 -2.736 -0.610) 3.038 11.052 ( 1.169 2.736 -0.610) 3.038 11.209 ( -1.755 -2.662 2.756) 4.215 11.209 ( -1.755 2.662 2.756) 4.215 11.313 ( -1.403 -0.334 2.763) 3.116 11.313 ( -1.403 0.334 2.763) 3.116 11.700 ( 2.812 -0.658 -3.091) 4.230 11.700 ( 2.812 0.658 -3.091) 4.230 11.743 ( 3.150 -0.925 -3.725) 4.965 11.743 ( 3.150 0.925 -3.725) 4.965 11.902 ( -2.017 -1.425 3.419) 4.218 11.902 ( -2.017 1.425 3.419) 4.218 12.081 ( 1.396 -1.058 0.502) 1.822 12.081 ( 1.396 1.058 0.502) 1.822 12.235 ( 0.267 -2.016 -1.669) 2.630 12.235 ( 0.267 2.016 -1.669) 2.630 12.360 ( 0.694 -3.282 1.498) 3.673 12.360 ( 0.694 3.282 1.498) 3.673 12.513 ( 0.508 -1.901 0.311) 1.992 12.513 ( 0.508 1.901 0.311) 1.992 12.549 ( 0.683 -0.927 -2.003) 2.310 12.549 ( 0.683 0.927 -2.003) 2.310 12.638 ( -0.553 -0.796 -0.241) 0.999 12.638 ( -0.553 0.796 -0.241) 0.999 12.720 ( -3.248 -0.796 2.058) 3.927 12.720 ( -3.248 0.796 2.058) 3.927 12.781 ( -2.050 -1.456 1.339) 2.849 12.781 ( -2.050 1.456 1.339) 2.849 12.828 ( 1.621 -1.255 0.176) 2.057 12.828 ( 1.621 1.255 0.176) 2.057 12.943 ( 0.033 -3.520 1.130) 3.697 12.943 ( 0.033 3.520 1.130) 3.697 13.114 ( 2.242 -1.483 -5.076) 5.744 13.114 ( 2.242 1.483 -5.076) 5.744 13.242 ( 5.475 -4.110 -6.885) 9.710 13.242 ( 5.475 4.110 -6.885) 9.710 13.456 ( 1.377 -4.922 -7.263) 8.880 13.456 ( 1.377 4.922 -7.263) 8.880 13.802 ( -0.672 -5.803 0.168) 5.844 13.802 ( -0.672 5.803 0.168) 5.844 13.870 ( -6.218 -2.066 7.913) 10.274 13.870 ( -6.218 2.066 7.913) 10.274 14.018 ( -2.711 -0.941 4.554) 5.383 14.018 ( -2.711 0.941 4.554) 5.383 14.302 ( -0.546 -5.904 5.306) 7.957 14.302 ( -0.546 5.904 5.306) 7.957 14.486 ( 1.968 -0.998 -4.839) 5.319 14.486 ( 1.968 0.998 -4.839) 5.319 14.606 ( -1.875 -0.842 0.480) 2.111 14.606 ( -1.875 0.842 0.480) 2.111 14.758 ( -0.836 -1.454 -0.001) 1.677 14.758 ( -0.836 1.454 -0.001) 1.677 14.803 ( 3.611 -1.957 -0.728) 4.172 14.803 ( 3.611 1.957 -0.728) 4.172 ======================= Grid point 65 (35/69) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 17.089 -14.826 15.925) 27.666 1.537 ( 17.089 14.826 15.925) 27.666 1.603 ( 12.224 -21.362 14.661) 28.648 1.603 ( 12.224 21.362 14.661) 28.648 2.252 ( 5.842 -5.689 -5.753) 9.979 2.252 ( 5.842 5.689 -5.753) 9.979 2.327 ( 0.780 -2.062 -6.062) 6.451 2.327 ( 0.780 2.062 -6.062) 6.451 2.549 ( 5.383 -15.333 -0.294) 16.253 2.549 ( 5.383 15.333 -0.294) 16.253 2.692 ( 8.384 -8.783 0.018) 12.142 2.692 ( 8.384 8.783 0.018) 12.142 2.807 ( 7.468 -5.188 1.013) 9.149 2.807 ( 7.468 5.188 1.013) 9.149 3.108 ( 0.948 -4.257 3.399) 5.530 3.108 ( 0.948 4.257 3.399) 5.530 3.150 ( -0.858 -5.973 0.941) 6.107 3.150 ( -0.858 5.973 0.941) 6.107 3.301 ( 2.345 -6.761 -0.202) 7.159 3.301 ( 2.345 6.761 -0.202) 7.159 3.492 ( 0.662 -4.634 0.339) 4.694 3.492 ( 0.662 4.634 0.339) 4.694 3.612 ( -4.456 -4.924 6.846) 9.538 3.612 ( -4.456 4.924 6.846) 9.538 3.677 ( -2.797 -5.196 -2.322) 6.341 3.677 ( -2.797 5.196 -2.322) 6.341 3.754 ( -1.414 -2.339 5.454) 6.101 3.754 ( -1.414 2.339 5.454) 6.101 3.782 ( 1.478 -1.620 -6.593) 6.948 3.782 ( 1.478 1.620 -6.593) 6.948 3.902 ( -1.777 -5.524 1.030) 5.894 3.902 ( -1.777 5.524 1.030) 5.894 3.950 ( -0.731 -3.152 -3.837) 5.019 3.950 ( -0.731 3.152 -3.837) 5.019 4.040 ( -0.026 -3.283 -3.723) 4.964 4.040 ( -0.026 3.283 -3.723) 4.964 4.117 ( 1.038 -4.355 -2.614) 5.185 4.117 ( 1.038 4.355 -2.614) 5.185 4.214 ( -1.125 -2.094 1.197) 2.662 4.214 ( -1.125 2.094 1.197) 2.662 4.329 ( -3.864 -0.639 -2.686) 4.749 4.329 ( -3.864 0.639 -2.686) 4.749 4.463 ( 0.697 -5.348 -1.233) 5.532 4.463 ( 0.697 5.348 -1.233) 5.532 4.552 ( -3.500 -0.667 -4.238) 5.537 4.552 ( -3.500 0.667 -4.238) 5.537 4.584 ( -1.518 -3.819 -2.705) 4.920 4.584 ( -1.518 3.819 -2.705) 4.920 4.655 ( 0.718 -1.155 -1.069) 1.730 4.655 ( 0.718 1.155 -1.069) 1.730 4.737 ( -3.583 -2.213 3.805) 5.675 4.737 ( -3.583 2.213 3.805) 5.675 4.796 ( 1.073 -1.222 -0.387) 1.671 4.796 ( 1.073 1.222 -0.387) 1.671 4.907 ( -2.446 -4.619 -1.159) 5.354 4.907 ( -2.446 4.619 -1.159) 5.354 4.958 ( -0.746 -1.347 1.935) 2.473 4.958 ( -0.746 1.347 1.935) 2.473 5.067 ( 2.207 -3.479 0.645) 4.171 5.067 ( 2.207 3.479 0.645) 4.171 5.151 ( -1.851 -3.695 0.772) 4.204 5.151 ( -1.851 3.695 0.772) 4.204 5.188 ( 0.690 -2.207 0.764) 2.435 5.188 ( 0.690 2.207 0.764) 2.435 5.293 ( -0.052 -4.095 2.785) 4.953 5.293 ( -0.052 4.095 2.785) 4.953 5.403 ( 2.601 -4.214 1.166) 5.087 5.403 ( 2.601 4.214 1.166) 5.087 5.485 ( -0.793 -1.542 1.643) 2.389 5.485 ( -0.793 1.542 1.643) 2.389 5.596 ( -1.659 -0.858 -2.251) 2.925 5.596 ( -1.659 0.858 -2.251) 2.925 5.961 ( 1.456 -2.548 1.255) 3.192 5.961 ( 1.456 2.548 1.255) 3.192 6.083 ( 1.756 -1.586 -2.040) 3.124 6.083 ( 1.756 1.586 -2.040) 3.124 6.483 ( -1.501 -0.461 0.044) 1.571 6.483 ( -1.501 0.461 0.044) 1.571 6.675 ( -4.992 -4.147 -1.069) 6.577 6.675 ( -4.992 4.147 -1.069) 6.577 6.844 ( -2.715 -1.220 2.734) 4.041 6.844 ( -2.715 1.220 2.734) 4.041 7.147 ( 2.265 -3.765 -4.615) 6.372 7.147 ( 2.265 3.765 -4.615) 6.372 7.229 ( -0.083 -3.363 2.178) 4.008 7.229 ( -0.083 3.363 2.178) 4.008 7.414 ( 0.459 -2.859 -1.886) 3.456 7.414 ( 0.459 2.859 -1.886) 3.456 7.546 ( 1.292 -0.446 -0.706) 1.538 7.546 ( 1.292 0.446 -0.706) 1.538 7.673 ( -0.961 -1.192 3.151) 3.503 7.673 ( -0.961 1.192 3.151) 3.503 7.838 ( -0.233 -1.268 -1.708) 2.140 7.838 ( -0.233 1.268 -1.708) 2.140 8.146 ( 0.142 -1.900 -1.057) 2.178 8.146 ( 0.142 1.900 -1.057) 2.178 8.230 ( -4.440 -0.951 -0.699) 4.595 8.230 ( -4.440 0.951 -0.699) 4.595 8.354 ( -0.607 -3.829 0.401) 3.897 8.354 ( -0.607 3.829 0.401) 3.897 8.507 ( -7.141 -0.771 0.644) 7.212 8.507 ( -7.141 0.771 0.644) 7.212 8.616 ( -1.521 -1.442 0.415) 2.137 8.616 ( -1.521 1.442 0.415) 2.137 8.714 ( -4.383 -3.964 -2.906) 6.585 8.714 ( -4.383 3.964 -2.906) 6.585 8.855 ( 5.273 -2.339 0.592) 5.799 8.855 ( 5.273 2.339 0.592) 5.799 8.969 ( -1.347 -0.993 -0.475) 1.740 8.969 ( -1.347 0.993 -0.475) 1.740 9.137 ( -3.346 -3.217 3.891) 6.057 9.137 ( -3.346 3.217 3.891) 6.057 9.223 ( -3.343 -2.120 -0.414) 3.980 9.223 ( -3.343 2.120 -0.414) 3.980 9.290 ( 3.678 -3.051 -0.907) 4.864 9.290 ( 3.678 3.051 -0.907) 4.864 9.464 ( -1.711 -3.748 0.749) 4.187 9.464 ( -1.711 3.748 0.749) 4.187 9.696 ( -2.936 -1.543 1.012) 3.468 9.696 ( -2.936 1.543 1.012) 3.468 9.727 ( 6.407 -4.392 2.809) 8.260 9.727 ( 6.407 4.392 2.809) 8.260 9.936 ( 2.905 -1.125 0.368) 3.137 9.936 ( 2.905 1.125 0.368) 3.137 10.078 ( 7.340 -2.620 0.366) 7.802 10.078 ( 7.340 2.620 0.366) 7.802 10.260 ( 3.054 -2.214 -1.010) 3.905 10.260 ( 3.054 2.214 -1.010) 3.905 10.334 ( 4.110 -2.145 -5.476) 7.175 10.334 ( 4.110 2.145 -5.476) 7.175 10.526 ( 1.877 -0.330 0.097) 1.908 10.526 ( 1.877 0.330 0.097) 1.908 10.799 ( -4.371 -1.304 4.326) 6.286 10.799 ( -4.371 1.304 4.326) 6.286 10.871 ( -4.046 -1.675 1.262) 4.558 10.871 ( -4.046 1.675 1.262) 4.558 10.993 ( 2.925 -2.179 -0.755) 3.725 10.993 ( 2.925 2.179 -0.755) 3.725 11.078 ( 3.087 -2.085 -1.779) 4.128 11.078 ( 3.087 2.085 -1.779) 4.128 11.207 ( -0.843 -4.522 1.289) 4.777 11.207 ( -0.843 4.522 1.289) 4.777 11.314 ( -0.429 -0.537 2.160) 2.267 11.314 ( -0.429 0.537 2.160) 2.267 11.736 ( 3.926 -1.228 -3.046) 5.119 11.736 ( 3.926 1.228 -3.046) 5.119 11.772 ( 3.392 -0.537 -2.672) 4.351 11.772 ( 3.392 0.537 -2.672) 4.351 11.900 ( -2.161 -1.504 4.327) 5.065 11.900 ( -2.161 1.504 4.327) 5.065 12.116 ( 2.324 -1.471 -0.743) 2.849 12.116 ( 2.324 1.471 -0.743) 2.849 12.227 ( 0.100 -1.921 -0.749) 2.065 12.227 ( 0.100 1.921 -0.749) 2.065 12.370 ( -1.115 -2.807 1.982) 3.612 12.370 ( -1.115 2.807 1.982) 3.612 12.471 ( -2.933 -1.677 -2.823) 4.403 12.471 ( -2.933 1.677 -2.823) 4.403 12.527 ( -3.160 -1.785 0.826) 3.722 12.527 ( -3.160 1.785 0.826) 3.722 12.630 ( -3.489 -1.203 1.016) 3.828 12.630 ( -3.489 1.203 1.016) 3.828 12.656 ( -2.748 -2.508 1.975) 4.212 12.656 ( -2.748 2.508 1.975) 4.212 12.779 ( 0.961 -1.468 1.049) 2.045 12.779 ( 0.961 1.468 1.049) 2.045 12.867 ( 1.964 -1.189 -1.091) 2.542 12.867 ( 1.964 1.189 -1.091) 2.542 12.952 ( 0.786 -1.887 0.475) 2.099 12.952 ( 0.786 1.887 0.475) 2.099 13.127 ( 3.434 -0.754 -3.519) 4.974 13.127 ( 3.434 0.754 -3.519) 4.974 13.254 ( 2.172 -2.303 -6.598) 7.318 13.254 ( 2.172 2.303 -6.598) 7.318 13.425 ( 3.134 -1.912 -7.634) 8.471 13.425 ( 3.134 1.912 -7.634) 8.471 13.752 ( -4.923 -1.860 0.407) 5.278 13.752 ( -4.923 1.860 0.407) 5.278 13.871 ( -2.617 -0.712 9.387) 9.771 13.871 ( -2.617 0.712 9.387) 9.771 14.002 ( -2.689 -1.132 4.007) 4.957 14.002 ( -2.689 1.132 4.007) 4.957 14.269 ( -7.741 -5.654 4.244) 10.483 14.269 ( -7.741 5.654 4.244) 10.483 14.476 ( 0.882 -1.941 -3.969) 4.505 14.476 ( 0.882 1.941 -3.969) 4.505 14.598 ( 2.052 -2.973 0.635) 3.668 14.598 ( 2.052 2.973 0.635) 3.668 14.723 ( -2.685 -0.678 -0.749) 2.869 14.723 ( -2.685 0.678 -0.749) 2.869 14.907 ( 6.911 -3.765 -0.502) 7.886 14.907 ( 6.911 3.765 -0.502) 7.886 ======================= Grid point 67 (36/69) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 13.195 -21.172 9.274) 26.615 1.942 ( 13.195 21.172 9.274) 26.615 2.002 ( 19.246 -13.375 13.729) 27.163 2.002 ( 19.246 13.375 13.729) 27.163 2.255 ( 7.387 -3.487 -10.563) 13.353 2.255 ( 7.387 3.487 -10.563) 13.353 2.389 ( 10.685 -3.671 -7.582) 13.606 2.389 ( 10.685 3.671 -7.582) 13.606 2.648 ( 8.227 -4.715 -3.797) 10.215 2.648 ( 8.227 4.715 -3.797) 10.215 2.743 ( 4.294 -5.219 -6.181) 9.159 2.743 ( 4.294 5.219 -6.181) 9.159 3.119 ( 6.020 -5.235 6.407) 10.232 3.119 ( 6.020 5.235 6.407) 10.232 3.142 ( 5.703 -1.304 4.733) 7.525 3.142 ( 5.703 1.304 4.733) 7.525 3.200 ( 5.611 -3.591 7.827) 10.278 3.200 ( 5.611 3.591 7.827) 10.278 3.347 ( 2.725 -5.266 1.070) 6.025 3.347 ( 2.725 5.266 1.070) 6.025 3.492 ( -1.585 -2.387 -1.770) 3.368 3.492 ( -1.585 2.387 -1.770) 3.368 3.578 ( -2.845 -2.104 2.863) 4.552 3.578 ( -2.845 2.104 2.863) 4.552 3.618 ( -4.171 -3.660 3.891) 6.777 3.618 ( -4.171 3.660 3.891) 6.777 3.729 ( -4.483 -2.453 0.117) 5.112 3.729 ( -4.483 2.453 0.117) 5.112 3.751 ( 0.538 -4.096 -1.359) 4.350 3.751 ( 0.538 4.096 -1.359) 4.350 3.879 ( -1.889 -1.340 0.058) 2.317 3.879 ( -1.889 1.340 0.058) 2.317 3.920 ( 0.151 -2.056 -2.685) 3.385 3.920 ( 0.151 2.056 -2.685) 3.385 4.012 ( -3.348 -4.383 0.698) 5.559 4.012 ( -3.348 4.383 0.698) 5.559 4.103 ( 2.909 -1.440 -4.552) 5.591 4.103 ( 2.909 1.440 -4.552) 5.591 4.224 ( 0.653 -4.734 -1.733) 5.084 4.224 ( 0.653 4.734 -1.733) 5.084 4.251 ( -0.857 -0.828 -0.716) 1.390 4.251 ( -0.857 0.828 -0.716) 1.390 4.418 ( -5.316 -3.467 -3.178) 7.098 4.418 ( -5.316 3.467 -3.178) 7.098 4.440 ( -1.965 -1.095 -3.213) 3.923 4.440 ( -1.965 1.095 -3.213) 3.923 4.558 ( 0.430 -3.255 -2.256) 3.984 4.558 ( 0.430 3.255 -2.256) 3.984 4.657 ( -3.145 -1.291 -0.693) 3.470 4.657 ( -3.145 1.291 -0.693) 3.470 4.710 ( -0.171 -0.203 3.178) 3.189 4.710 ( -0.171 0.203 3.178) 3.189 4.800 ( -2.498 -2.669 1.075) 3.811 4.800 ( -2.498 2.669 1.075) 3.811 4.875 ( 1.065 -3.969 -0.894) 4.206 4.875 ( 1.065 3.969 -0.894) 4.206 4.936 ( -2.660 -0.886 0.979) 2.970 4.936 ( -2.660 0.886 0.979) 2.970 5.107 ( 1.730 -4.063 -0.133) 4.417 5.107 ( 1.730 4.063 -0.133) 4.417 5.132 ( -0.694 -3.635 0.782) 3.783 5.132 ( -0.694 3.635 0.782) 3.783 5.180 ( -3.175 -1.299 0.365) 3.450 5.180 ( -3.175 1.299 0.365) 3.450 5.300 ( -1.535 -3.585 1.093) 4.050 5.300 ( -1.535 3.585 1.093) 4.050 5.413 ( -1.295 -3.519 0.752) 3.825 5.413 ( -1.295 3.519 0.752) 3.825 5.521 ( 3.235 -3.538 0.035) 4.794 5.521 ( 3.235 3.538 0.035) 4.794 5.562 ( -0.810 -1.721 0.159) 1.908 5.562 ( -0.810 1.721 0.159) 1.908 6.016 ( 3.365 -1.040 1.429) 3.801 6.016 ( 3.365 1.040 1.429) 3.801 6.107 ( 2.555 -0.763 -1.246) 2.944 6.107 ( 2.555 0.763 -1.246) 2.944 6.444 ( -3.525 -1.116 0.373) 3.716 6.444 ( -3.525 1.116 0.373) 3.716 6.592 ( -3.181 -4.998 -0.714) 5.967 6.592 ( -3.181 4.998 -0.714) 5.967 6.810 ( -3.872 -2.122 1.864) 4.792 6.810 ( -3.872 2.122 1.864) 4.792 7.105 ( -0.645 -4.248 -5.130) 6.691 7.105 ( -0.645 4.248 -5.130) 6.691 7.246 ( -0.725 -2.024 2.093) 3.000 7.246 ( -0.725 2.024 2.093) 3.000 7.447 ( 3.218 -3.638 0.407) 4.873 7.447 ( 3.218 3.638 0.407) 4.873 7.538 ( -2.424 -0.693 1.133) 2.764 7.538 ( -2.424 0.693 1.133) 2.764 7.718 ( 2.843 -1.070 0.384) 3.062 7.718 ( 2.843 1.070 0.384) 3.062 7.820 ( 0.935 -2.221 -1.304) 2.740 7.820 ( 0.935 2.221 -1.304) 2.740 8.132 ( -1.398 -1.258 0.094) 1.883 8.132 ( -1.398 1.258 0.094) 1.883 8.176 ( -1.574 -1.802 0.348) 2.418 8.176 ( -1.574 1.802 0.348) 2.418 8.281 ( -5.627 -2.511 -0.219) 6.166 8.281 ( -5.627 2.511 -0.219) 6.166 8.442 ( -1.278 -3.854 0.649) 4.112 8.442 ( -1.278 3.854 0.649) 4.112 8.590 ( -1.402 -2.218 0.465) 2.665 8.590 ( -1.402 2.218 0.465) 2.665 8.635 ( -3.065 -6.553 -0.537) 7.255 8.635 ( -3.065 6.553 -0.537) 7.255 8.918 ( -7.939 -1.714 -0.237) 8.125 8.918 ( -7.939 1.714 -0.237) 8.125 8.933 ( 0.883 -2.791 0.478) 2.966 8.933 ( 0.883 2.791 0.478) 2.966 9.051 ( -2.430 -2.053 2.321) 3.937 9.051 ( -2.430 2.053 2.321) 3.937 9.180 ( -1.818 -2.078 1.393) 3.092 9.180 ( -1.818 2.078 1.393) 3.092 9.322 ( 3.027 -1.312 -5.579) 6.482 9.322 ( 3.027 1.312 -5.579) 6.482 9.442 ( -0.379 -3.653 -0.393) 3.694 9.442 ( -0.379 3.653 -0.393) 3.694 9.647 ( -2.563 -3.968 -0.144) 4.726 9.647 ( -2.563 3.968 -0.144) 4.726 9.840 ( 2.110 -1.972 2.758) 3.994 9.840 ( 2.110 1.972 2.758) 3.994 9.950 ( 0.103 -3.572 -0.891) 3.683 9.950 ( 0.103 3.572 -0.891) 3.683 10.182 ( 3.730 -4.408 -1.702) 6.020 10.182 ( 3.730 4.408 -1.702) 6.020 10.298 ( 3.433 -3.067 -1.249) 4.770 10.298 ( 3.433 3.067 -1.249) 4.770 10.495 ( 13.651 -2.415 1.547) 13.949 10.495 ( 13.651 2.415 1.547) 13.949 10.598 ( 4.315 -0.682 0.625) 4.413 10.598 ( 4.315 0.682 0.625) 4.413 10.749 ( -4.084 -1.101 2.115) 4.729 10.749 ( -4.084 1.101 2.115) 4.729 10.815 ( -2.608 -0.540 1.765) 3.195 10.815 ( -2.608 0.540 1.765) 3.195 11.028 ( 1.856 -3.125 -0.320) 3.649 11.028 ( 1.856 3.125 -0.320) 3.649 11.113 ( 1.486 -0.896 -0.955) 1.981 11.113 ( 1.486 0.896 -0.955) 1.981 11.201 ( 0.588 -3.933 -1.849) 4.386 11.201 ( 0.588 3.933 -1.849) 4.386 11.352 ( 3.464 -0.936 1.347) 3.832 11.352 ( 3.464 0.936 1.347) 3.832 11.765 ( 1.968 -1.404 -2.233) 3.291 11.765 ( 1.968 1.404 -2.233) 3.291 11.813 ( 3.376 -1.919 -1.680) 4.232 11.813 ( 3.376 1.919 -1.680) 4.232 11.907 ( -1.227 -1.789 4.482) 4.980 11.907 ( -1.227 1.789 4.482) 4.980 12.140 ( 1.498 -2.203 -1.331) 2.978 12.140 ( 1.498 2.203 -1.331) 2.978 12.221 ( -1.005 -1.079 0.022) 1.475 12.221 ( -1.005 1.079 0.022) 1.475 12.343 ( -3.870 -2.115 -1.499) 4.658 12.343 ( -3.870 2.115 -1.499) 4.658 12.398 ( -1.990 -1.571 1.390) 2.892 12.398 ( -1.990 1.571 1.390) 2.892 12.492 ( -4.172 -2.789 2.115) 5.446 12.492 ( -4.172 2.789 2.115) 5.446 12.518 ( -5.322 -1.676 0.180) 5.583 12.518 ( -5.322 1.676 0.180) 5.583 12.676 ( 0.227 -0.266 1.709) 1.744 12.676 ( 0.227 0.266 1.709) 1.744 12.800 ( 1.132 -1.209 -0.973) 1.921 12.800 ( 1.132 1.209 -0.973) 1.921 12.878 ( 1.286 -1.284 -1.924) 2.647 12.878 ( 1.286 1.284 -1.924) 2.647 12.982 ( 1.724 -1.637 0.291) 2.395 12.982 ( 1.724 1.637 0.291) 2.395 13.151 ( 2.280 -2.092 -3.545) 4.706 13.151 ( 2.280 2.092 -3.545) 4.706 13.224 ( 2.190 -1.244 -6.696) 7.154 13.224 ( 2.190 1.244 -6.696) 7.154 13.418 ( 2.050 -1.666 -6.079) 6.628 13.418 ( 2.050 1.666 -6.079) 6.628 13.675 ( -4.770 -2.162 2.491) 5.800 13.675 ( -4.770 2.162 2.491) 5.800 13.892 ( -5.268 -1.012 9.286) 10.724 13.892 ( -5.268 1.012 9.286) 10.724 14.015 ( 0.251 -2.501 2.219) 3.353 14.015 ( 0.251 2.501 2.219) 3.353 14.157 ( -7.355 -1.466 4.682) 8.841 14.157 ( -7.355 1.466 4.682) 8.841 14.452 ( 0.193 -2.598 -2.970) 3.950 14.452 ( 0.193 2.598 -2.970) 3.950 14.649 ( -1.811 -0.485 -3.278) 3.777 14.649 ( -1.811 0.485 -3.278) 3.777 14.675 ( 2.248 -2.712 2.837) 4.523 14.675 ( 2.248 2.712 2.837) 4.523 15.007 ( 5.338 -4.778 -1.299) 7.281 15.007 ( 5.338 4.778 -1.299) 7.281 ======================= Grid point 69 (37/69) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 5.961 -16.148 -1.806) 17.308 2.123 ( 5.961 16.148 -1.806) 17.308 2.365 ( 11.665 -7.212 -1.022) 13.753 2.365 ( 11.665 7.212 -1.022) 13.753 2.463 ( 17.879 -8.136 6.569) 20.712 2.463 ( 17.879 8.136 6.569) 20.712 2.531 ( 11.842 -4.237 -3.049) 12.942 2.531 ( 11.842 4.237 -3.049) 12.942 2.735 ( 8.596 -1.198 -7.934) 11.759 2.735 ( 8.596 1.198 -7.934) 11.759 2.815 ( 6.677 -6.227 0.738) 9.160 2.815 ( 6.677 6.227 0.738) 9.160 3.127 ( -1.147 -3.143 -1.280) 3.582 3.127 ( -1.147 3.143 -1.280) 3.582 3.221 ( -1.285 -4.110 4.373) 6.137 3.221 ( -1.285 4.110 4.373) 6.137 3.330 ( -4.453 -2.212 -1.832) 5.299 3.330 ( -4.453 2.212 -1.832) 5.299 3.354 ( -2.835 -2.111 -3.093) 4.697 3.354 ( -2.835 2.111 -3.093) 4.697 3.511 ( 3.552 -3.657 3.259) 6.051 3.511 ( 3.552 3.657 3.259) 6.051 3.571 ( -2.460 -3.343 1.950) 4.586 3.571 ( -2.460 3.343 1.950) 4.586 3.611 ( -1.622 -2.953 5.328) 6.304 3.611 ( -1.622 2.953 5.328) 6.304 3.660 ( -1.194 -0.192 0.894) 1.504 3.660 ( -1.194 0.192 0.894) 1.504 3.798 ( -0.337 -0.489 4.728) 4.765 3.798 ( -0.337 0.489 4.728) 4.765 3.824 ( -1.125 -2.250 3.125) 4.011 3.824 ( -1.125 2.250 3.125) 4.011 3.909 ( 0.165 -1.947 0.212) 1.966 3.909 ( 0.165 1.947 0.212) 1.966 4.007 ( 3.269 -4.767 2.452) 6.278 4.007 ( 3.269 4.767 2.452) 6.278 4.132 ( 2.076 -2.298 -2.763) 4.150 4.132 ( 2.076 2.298 -2.763) 4.150 4.203 ( 2.453 -4.897 -6.681) 8.639 4.203 ( 2.453 4.897 -6.681) 8.639 4.267 ( 0.233 -0.238 -1.105) 1.154 4.267 ( 0.233 0.238 -1.105) 1.154 4.299 ( -0.737 -1.785 -4.182) 4.607 4.299 ( -0.737 1.785 -4.182) 4.607 4.410 ( -0.056 -2.676 -0.023) 2.677 4.410 ( -0.056 2.676 -0.023) 2.677 4.547 ( -0.965 -3.481 -0.665) 3.673 4.547 ( -0.965 3.481 -0.665) 3.673 4.581 ( -3.053 -1.512 -1.001) 3.551 4.581 ( -3.053 1.512 -1.001) 3.551 4.703 ( -4.037 -2.468 -0.929) 4.822 4.703 ( -4.037 2.468 -0.929) 4.822 4.778 ( -0.145 -1.927 2.940) 3.518 4.778 ( -0.145 1.927 2.940) 3.518 4.874 ( -2.740 -1.202 -0.040) 2.992 4.874 ( -2.740 1.202 -0.040) 2.992 4.922 ( 1.269 -2.750 0.399) 3.054 4.922 ( 1.269 2.750 0.399) 3.054 5.087 ( -6.158 -1.436 1.144) 6.426 5.087 ( -6.158 1.436 1.144) 6.426 5.116 ( 0.008 -3.367 -1.277) 3.601 5.116 ( 0.008 3.367 -1.277) 3.601 5.152 ( 0.817 -4.737 1.785) 5.128 5.152 ( 0.817 4.737 1.785) 5.128 5.266 ( -2.441 -3.881 0.675) 4.635 5.266 ( -2.441 3.881 0.675) 4.635 5.403 ( 0.063 -3.419 -1.114) 3.596 5.403 ( 0.063 3.419 -1.114) 3.596 5.550 ( -0.105 -2.019 -0.097) 2.024 5.550 ( -0.105 2.019 -0.097) 2.024 5.578 ( 1.852 -3.282 0.638) 3.822 5.578 ( 1.852 3.282 0.638) 3.822 6.094 ( 3.911 -0.158 0.764) 3.988 6.094 ( 3.911 0.158 0.764) 3.988 6.147 ( 2.835 -0.244 0.104) 2.848 6.147 ( 2.835 0.244 0.104) 2.848 6.369 ( -4.959 -1.115 0.272) 5.090 6.369 ( -4.959 1.115 0.272) 5.090 6.549 ( -1.323 -4.426 -0.935) 4.713 6.549 ( -1.323 4.426 -0.935) 4.713 6.744 ( -4.100 -2.509 -0.007) 4.807 6.744 ( -4.100 2.509 -0.007) 4.807 7.069 ( 0.666 -3.616 -2.762) 4.599 7.069 ( 0.666 3.616 -2.762) 4.599 7.243 ( -1.686 -1.012 2.424) 3.122 7.243 ( -1.686 1.012 2.424) 3.122 7.469 ( -2.207 -1.015 0.511) 2.482 7.469 ( -2.207 1.015 0.511) 2.482 7.530 ( 1.172 -2.177 1.386) 2.834 7.530 ( 1.172 2.177 1.386) 2.834 7.727 ( 0.025 -1.491 -1.858) 2.382 7.727 ( 0.025 1.491 -1.858) 2.382 7.874 ( 5.597 -1.484 -2.910) 6.481 7.874 ( 5.597 1.484 -2.910) 6.481 8.090 ( -3.078 -2.752 0.135) 4.131 8.090 ( -3.078 2.752 0.135) 4.131 8.168 ( -0.293 -0.439 2.189) 2.252 8.168 ( -0.293 0.439 2.189) 2.252 8.262 ( 1.947 -2.688 1.916) 3.832 8.262 ( 1.947 2.688 1.916) 3.832 8.412 ( -3.547 -6.011 0.835) 7.030 8.412 ( -3.547 6.011 0.835) 7.030 8.569 ( -3.941 -3.493 1.266) 5.416 8.569 ( -3.941 3.493 1.266) 5.416 8.599 ( 0.188 -3.280 0.121) 3.287 8.599 ( 0.188 3.280 0.121) 3.287 8.747 ( -7.072 -2.357 -0.277) 7.459 8.747 ( -7.072 2.357 -0.277) 7.459 8.882 ( -5.359 -2.072 -0.356) 5.757 8.882 ( -5.359 2.072 -0.356) 5.757 9.093 ( 1.945 -2.636 0.053) 3.276 9.093 ( 1.945 2.636 0.053) 3.276 9.140 ( -3.840 -1.465 1.412) 4.345 9.140 ( -3.840 1.465 1.412) 4.345 9.349 ( 5.849 -1.149 -6.624) 8.911 9.349 ( 5.849 1.149 -6.624) 8.911 9.449 ( 1.427 -1.092 0.923) 2.020 9.449 ( 1.427 1.092 0.923) 2.020 9.622 ( -0.239 -1.354 -0.304) 1.408 9.622 ( -0.239 1.354 -0.304) 1.408 9.837 ( -2.134 -1.507 1.398) 2.963 9.837 ( -2.134 1.507 1.398) 2.963 9.977 ( 1.243 -4.889 1.924) 5.399 9.977 ( 1.243 4.889 1.924) 5.399 10.210 ( 1.884 -3.921 -1.331) 4.549 10.210 ( 1.884 3.921 -1.331) 4.549 10.341 ( 1.828 -3.799 -0.099) 4.217 10.341 ( 1.828 3.799 -0.099) 4.217 10.568 ( -3.283 -0.415 -0.441) 3.338 10.568 ( -3.283 0.415 -0.441) 3.338 10.701 ( -4.765 -0.738 5.206) 7.096 10.701 ( -4.765 0.738 5.206) 7.096 10.769 ( 11.234 -1.054 -1.189) 11.346 10.769 ( 11.234 1.054 -1.189) 11.346 10.858 ( 5.273 -0.685 1.275) 5.468 10.858 ( 5.273 0.685 1.275) 5.468 11.056 ( 1.208 -2.358 0.601) 2.717 11.056 ( 1.208 2.358 0.601) 2.717 11.109 ( -0.033 -1.742 -1.207) 2.119 11.109 ( -0.033 1.742 -1.207) 2.119 11.200 ( 2.217 -1.485 -3.989) 4.799 11.200 ( 2.217 1.485 -3.989) 4.799 11.452 ( 5.901 -1.480 0.684) 6.122 11.452 ( 5.901 1.480 0.684) 6.122 11.769 ( 0.468 -0.645 -0.828) 1.149 11.769 ( 0.468 0.645 -0.828) 1.149 11.863 ( 2.772 -2.051 1.493) 3.758 11.863 ( 2.772 2.051 1.493) 3.758 11.938 ( 1.205 -2.220 2.425) 3.502 11.938 ( 1.205 2.220 2.425) 3.502 12.139 ( -1.837 -1.164 -0.370) 2.206 12.139 ( -1.837 1.164 -0.370) 2.206 12.170 ( -4.050 -1.678 -0.512) 4.413 12.170 ( -4.050 1.678 -0.512) 4.413 12.263 ( -3.714 -0.291 -0.417) 3.748 12.263 ( -3.714 0.291 -0.417) 3.748 12.362 ( -5.939 -1.404 -0.249) 6.108 12.362 ( -5.939 1.404 -0.249) 6.108 12.418 ( 1.286 -1.129 -0.650) 1.831 12.418 ( 1.286 1.129 -0.650) 1.831 12.509 ( 0.036 -0.945 1.128) 1.472 12.509 ( 0.036 0.945 1.128) 1.472 12.672 ( -2.245 -0.643 1.612) 2.838 12.672 ( -2.245 0.643 1.612) 2.838 12.814 ( 1.862 -0.673 -1.569) 2.526 12.814 ( 1.862 0.673 -1.569) 2.526 12.877 ( 0.255 -1.618 -1.575) 2.272 12.877 ( 0.255 1.618 -1.575) 2.272 13.006 ( 1.531 -1.083 -0.968) 2.110 13.006 ( 1.531 1.083 -0.968) 2.110 13.149 ( 1.793 -2.244 -3.215) 4.311 13.149 ( 1.793 2.244 -3.215) 4.311 13.230 ( 3.753 -2.677 -4.436) 6.397 13.230 ( 3.753 2.677 -4.436) 6.397 13.381 ( 0.132 -3.525 -5.672) 6.680 13.381 ( 0.132 3.525 -5.672) 6.680 13.630 ( -3.795 -6.178 2.923) 7.818 13.630 ( -3.795 6.178 2.923) 7.818 13.865 ( -5.316 -0.731 6.623) 8.525 13.865 ( -5.316 0.731 6.623) 8.525 13.974 ( -6.990 -2.027 5.606) 9.186 13.974 ( -6.990 2.027 5.606) 9.186 14.164 ( 2.854 -5.887 0.603) 6.570 14.164 ( 2.854 5.887 0.603) 6.570 14.441 ( 0.583 -1.817 -0.299) 1.932 14.441 ( 0.583 1.817 -0.299) 1.932 14.564 ( -4.100 -1.718 -1.572) 4.715 14.564 ( -4.100 1.718 -1.572) 4.715 14.750 ( 3.055 -1.936 0.978) 3.747 14.750 ( 3.055 1.936 0.978) 3.747 15.067 ( 3.435 -5.243 -2.266) 6.666 15.067 ( 3.435 5.243 -2.266) 6.666 ======================= Grid point 71 (38/69) ======================= q-point: ( 0.44 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 3.059 -15.270 -0.781) 15.593 2.191 ( 3.059 15.271 -0.781) 15.593 2.469 ( 3.940 -6.488 -2.478) 7.985 2.469 ( 3.940 6.488 -2.478) 7.985 2.673 ( 7.876 -2.981 -2.923) 8.914 2.673 ( 7.876 2.981 -2.923) 8.914 2.787 ( 7.103 -1.783 0.970) 7.388 2.787 ( 7.103 1.783 0.970) 7.388 2.863 ( 9.589 -1.528 -6.642) 11.764 2.863 ( 9.589 1.528 -6.642) 11.764 2.925 ( 5.035 -5.173 3.059) 7.840 2.925 ( 5.035 5.173 3.059) 7.840 3.014 ( -6.918 -4.835 -4.284) 9.465 3.014 ( -6.918 4.835 -4.284) 9.465 3.156 ( -4.171 -0.321 2.985) 5.139 3.156 ( -4.171 0.321 2.985) 5.139 3.244 ( -3.186 -2.267 2.610) 4.701 3.244 ( -3.186 2.267 2.610) 4.701 3.321 ( 1.998 -1.843 -1.331) 3.026 3.321 ( 1.998 1.843 -1.331) 3.026 3.500 ( -2.120 -3.133 -1.414) 4.038 3.500 ( -2.120 3.133 -1.414) 4.038 3.581 ( -5.581 -1.357 5.033) 7.637 3.581 ( -5.581 1.357 5.033) 7.637 3.615 ( 0.552 -1.025 3.605) 3.788 3.615 ( 0.552 1.025 3.605) 3.788 3.664 ( 0.543 -1.579 1.174) 2.041 3.664 ( 0.543 1.579 1.174) 2.041 3.726 ( -4.170 -4.457 -0.210) 6.107 3.726 ( -4.170 4.457 -0.210) 6.107 3.864 ( -2.839 -3.928 0.167) 4.850 3.864 ( -2.839 3.928 0.167) 4.850 3.976 ( 4.262 -0.862 1.334) 4.548 3.976 ( 4.262 0.862 1.334) 4.548 4.081 ( -1.523 -2.849 2.409) 4.030 4.081 ( -1.523 2.849 2.409) 4.030 4.127 ( 0.648 -1.611 -0.151) 1.743 4.127 ( 0.648 1.611 -0.151) 1.743 4.201 ( -1.606 -1.612 -0.387) 2.309 4.201 ( -1.606 1.612 -0.387) 2.309 4.210 ( 3.018 -2.575 -5.115) 6.473 4.210 ( 3.018 2.575 -5.115) 6.473 4.378 ( 3.670 -1.415 -2.958) 4.921 4.378 ( 3.670 1.415 -2.958) 4.921 4.432 ( 2.864 -2.122 -1.199) 3.761 4.432 ( 2.864 2.122 -1.199) 3.761 4.495 ( 1.643 -1.366 1.148) 2.425 4.495 ( 1.643 1.366 1.148) 2.425 4.573 ( -0.883 -4.187 -0.514) 4.310 4.573 ( -0.883 4.187 -0.514) 4.310 4.634 ( 0.586 -0.413 -0.650) 0.968 4.634 ( 0.586 0.413 -0.650) 0.968 4.771 ( -2.664 -2.670 -1.109) 3.931 4.771 ( -2.664 2.670 -1.109) 3.931 4.824 ( -2.728 -1.450 2.961) 4.279 4.824 ( -2.728 1.450 2.961) 4.279 4.954 ( 0.882 -2.333 2.164) 3.302 4.954 ( 0.882 2.333 2.164) 3.302 5.018 ( -3.352 -0.179 3.095) 4.566 5.018 ( -3.352 0.179 3.095) 4.566 5.114 ( 1.097 -3.667 -1.524) 4.120 5.114 ( 1.097 3.667 -1.524) 4.120 5.168 ( -1.308 -5.606 1.196) 5.879 5.168 ( -1.308 5.606 1.196) 5.879 5.245 ( -0.502 -2.931 1.034) 3.148 5.245 ( -0.502 2.931 1.034) 3.148 5.393 ( 0.414 -2.622 -1.657) 3.129 5.393 ( 0.414 2.622 -1.657) 3.129 5.535 ( -0.760 -0.665 -1.260) 1.615 5.535 ( -0.760 0.665 -1.260) 1.615 5.604 ( 0.466 -3.423 0.109) 3.456 5.604 ( 0.466 3.423 0.109) 3.456 6.142 ( 1.608 -0.322 -0.223) 1.655 6.142 ( 1.608 0.322 -0.223) 1.655 6.204 ( 1.578 -0.857 0.136) 1.801 6.204 ( 1.578 0.857 0.136) 1.801 6.302 ( -2.322 -0.424 1.977) 3.079 6.302 ( -2.322 0.424 1.977) 3.079 6.523 ( -0.311 -2.854 -1.552) 3.263 6.523 ( -0.311 2.854 -1.552) 3.263 6.686 ( -1.780 -3.024 -0.969) 3.640 6.686 ( -1.780 3.024 -0.969) 3.640 7.077 ( 1.701 -3.306 -0.411) 3.740 7.077 ( 1.701 3.306 -0.411) 3.740 7.238 ( -1.446 -2.400 3.174) 4.234 7.238 ( -1.446 2.400 3.174) 4.234 7.432 ( -1.632 -3.604 0.065) 3.957 7.432 ( -1.632 3.604 0.065) 3.957 7.552 ( -0.061 -1.214 0.272) 1.246 7.552 ( -0.061 1.214 0.272) 1.246 7.707 ( 0.089 -0.556 -2.975) 3.028 7.707 ( 0.089 0.556 -2.975) 3.028 7.930 ( 4.407 -2.578 -3.603) 6.249 7.930 ( 4.407 2.578 -3.603) 6.249 8.074 ( 0.330 -1.828 1.597) 2.450 8.074 ( 0.330 1.828 1.597) 2.450 8.173 ( -1.076 -2.354 -0.446) 2.626 8.173 ( -1.076 2.354 -0.446) 2.626 8.296 ( -2.282 -0.831 -0.911) 2.594 8.296 ( -2.282 0.831 -0.911) 2.594 8.364 ( -0.717 -4.047 2.915) 5.039 8.364 ( -0.717 4.047 2.915) 5.039 8.488 ( -4.643 -3.298 2.337) 6.156 8.488 ( -4.643 3.298 2.337) 6.156 8.616 ( 0.423 -3.366 2.148) 4.015 8.616 ( 0.423 3.366 2.148) 4.015 8.731 ( 3.143 -4.609 1.562) 5.793 8.731 ( 3.143 4.609 1.562) 5.793 8.784 ( -4.878 -0.848 -0.235) 4.957 8.784 ( -4.878 0.848 -0.235) 4.957 9.061 ( -2.489 -2.160 -1.565) 3.648 9.061 ( -2.489 2.160 -1.565) 3.648 9.131 ( 0.456 -1.225 -0.300) 1.341 9.131 ( 0.456 1.225 -0.300) 1.341 9.337 ( 0.727 -1.122 -7.697) 7.812 9.337 ( 0.727 1.122 -7.697) 7.812 9.523 ( 3.309 -1.892 0.982) 3.936 9.523 ( 3.309 1.892 0.982) 3.936 9.627 ( 2.521 -1.181 -1.041) 2.972 9.627 ( 2.521 1.181 -1.041) 2.972 9.826 ( -2.965 -1.651 4.544) 5.671 9.826 ( -2.965 1.651 4.544) 5.671 10.002 ( -0.262 -2.440 2.321) 3.378 10.002 ( -0.262 2.440 2.321) 3.378 10.237 ( 1.764 -3.086 -0.095) 3.556 10.237 ( 1.764 3.086 -0.095) 3.556 10.370 ( 1.308 -3.662 1.584) 4.199 10.370 ( 1.308 3.662 1.584) 4.199 10.510 ( -2.030 -1.569 -0.089) 2.567 10.510 ( -2.030 1.569 -0.089) 2.567 10.667 ( -3.791 -1.398 4.683) 6.185 10.667 ( -3.791 1.398 4.683) 6.185 10.863 ( 1.140 -0.290 -2.292) 2.576 10.863 ( 1.140 0.290 -2.292) 2.576 10.946 ( 2.892 -0.916 0.203) 3.040 10.946 ( 2.892 0.916 0.203) 3.040 11.077 ( 1.000 -1.618 -0.254) 1.919 11.077 ( 1.000 1.618 -0.254) 1.919 11.124 ( 2.149 -1.582 -0.269) 2.682 11.124 ( 2.149 1.582 -0.269) 2.682 11.225 ( 5.602 -0.649 -4.243) 7.058 11.225 ( 5.602 0.649 -4.243) 7.058 11.507 ( -1.648 -1.314 1.401) 2.531 11.507 ( -1.648 1.314 1.401) 2.531 11.800 ( 4.334 -0.387 -0.870) 4.438 11.800 ( 4.334 0.387 -0.870) 4.438 11.926 ( 1.022 -0.742 3.032) 3.285 11.926 ( 1.022 0.742 3.032) 3.285 11.966 ( -2.172 -0.167 0.640) 2.270 11.966 ( -2.172 0.167 0.640) 2.270 12.060 ( -4.672 -0.487 -0.666) 4.745 12.060 ( -4.672 0.487 -0.666) 4.745 12.098 ( -2.774 -2.479 1.174) 3.901 12.098 ( -2.774 2.479 1.174) 3.901 12.207 ( -0.641 -0.628 -2.225) 2.399 12.207 ( -0.641 0.628 -2.225) 2.399 12.294 ( -1.900 -1.637 0.016) 2.508 12.294 ( -1.900 1.637 0.016) 2.508 12.453 ( 3.851 -0.725 -2.839) 4.839 12.453 ( 3.851 0.725 -2.839) 4.839 12.517 ( -0.036 -3.892 1.114) 4.048 12.517 ( -0.036 3.892 1.114) 4.048 12.645 ( -2.718 -0.610 2.467) 3.721 12.645 ( -2.718 0.610 2.467) 3.721 12.827 ( 0.197 -0.170 -0.579) 0.635 12.827 ( 0.197 0.170 -0.579) 0.635 12.859 ( 0.332 -2.676 -3.185) 4.173 12.859 ( 0.332 2.676 -3.185) 4.173 13.026 ( 2.073 -1.147 -1.605) 2.861 13.026 ( 2.073 1.147 -1.605) 2.861 13.172 ( 3.353 -1.893 -1.935) 4.309 13.172 ( 3.353 1.893 -1.935) 4.309 13.259 ( 2.745 -2.259 -3.252) 4.818 13.259 ( 2.745 2.259 -3.252) 4.818 13.353 ( 1.204 -4.215 -1.286) 4.568 13.353 ( 1.204 4.215 -1.286) 4.568 13.584 ( -2.662 -7.242 0.382) 7.725 13.584 ( -2.662 7.242 0.382) 7.725 13.814 ( -5.011 -0.526 2.066) 5.446 13.814 ( -5.011 0.526 2.066) 5.446 13.942 ( -4.299 -3.483 9.519) 11.010 13.942 ( -4.299 3.483 9.519) 11.010 14.179 ( 0.659 -6.774 -4.921) 8.399 14.179 ( 0.659 6.774 -4.921) 8.399 14.466 ( 0.029 -2.320 0.530) 2.380 14.466 ( 0.029 2.320 0.530) 2.380 14.515 ( -0.202 -3.374 3.407) 4.800 14.515 ( -0.202 3.374 3.407) 4.800 14.787 ( 0.693 -1.199 -0.181) 1.397 14.787 ( 0.693 1.199 -0.181) 1.397 15.087 ( 1.622 -5.348 -3.264) 6.472 15.087 ( 1.622 5.348 -3.264) 6.472 ======================= Grid point 73 (39/69) ======================= q-point: (-0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -5.868 -18.287 -0.456) 19.211 2.174 ( -5.868 18.287 -0.456) 19.211 2.484 ( -6.143 -8.413 -1.538) 10.530 2.484 ( -6.143 8.413 -1.538) 10.530 2.547 ( -11.325 -5.940 -7.060) 14.607 2.547 ( -11.325 5.940 -7.060) 14.607 2.675 ( -8.981 -3.844 -2.664) 10.126 2.675 ( -8.981 3.844 -2.664) 10.126 2.923 ( 5.822 -3.996 -0.859) 7.113 2.923 ( 5.822 3.996 -0.859) 7.113 2.995 ( 6.364 -1.202 0.038) 6.476 2.995 ( 6.364 1.202 0.038) 6.476 3.117 ( 3.347 -1.565 0.267) 3.705 3.117 ( 3.347 1.565 0.267) 3.705 3.168 ( 1.885 -0.937 0.306) 2.127 3.168 ( 1.885 0.937 0.306) 2.127 3.265 ( 2.771 -3.551 2.820) 5.314 3.265 ( 2.771 3.551 2.820) 5.314 3.393 ( 3.571 -5.528 1.435) 6.736 3.393 ( 3.571 5.528 1.435) 6.736 3.458 ( -0.245 -1.781 -1.972) 2.668 3.458 ( -0.245 1.781 -1.972) 2.668 3.497 ( -5.764 -4.051 5.227) 8.772 3.497 ( -5.764 4.051 5.227) 8.772 3.572 ( -8.019 -2.986 2.620) 8.949 3.572 ( -8.019 2.986 2.620) 8.949 3.683 ( -2.235 -1.803 0.001) 2.872 3.683 ( -2.235 1.803 0.001) 2.872 3.742 ( 4.934 -7.814 -0.210) 9.244 3.742 ( 4.934 7.814 -0.210) 9.244 3.792 ( -3.517 -6.551 -1.121) 7.519 3.792 ( -3.517 6.551 -1.121) 7.519 3.959 ( -10.149 -4.699 2.520) 11.465 3.959 ( -10.149 4.699 2.520) 11.465 3.992 ( -3.754 -2.304 -0.314) 4.416 3.992 ( -3.754 2.304 -0.314) 4.416 4.133 ( 2.760 -0.369 -1.219) 3.039 4.133 ( 2.760 0.369 -1.219) 3.039 4.186 ( -0.829 -1.444 -1.125) 2.009 4.186 ( -0.829 1.444 -1.125) 2.009 4.267 ( 3.503 -1.003 -1.637) 3.995 4.267 ( 3.503 1.003 -1.637) 3.995 4.330 ( 2.614 -2.782 -1.281) 4.027 4.330 ( 2.614 2.782 -1.281) 4.027 4.498 ( 0.215 -0.955 -2.521) 2.705 4.498 ( 0.215 0.955 -2.521) 2.705 4.526 ( 3.976 -2.739 -2.427) 5.404 4.526 ( 3.976 2.739 -2.427) 5.404 4.643 ( 4.580 -1.352 -1.382) 4.971 4.643 ( 4.580 1.352 -1.382) 4.971 4.668 ( 4.638 -3.857 -0.662) 6.068 4.668 ( 4.638 3.857 -0.662) 6.068 4.745 ( -2.072 -0.881 4.822) 5.321 4.745 ( -2.072 0.881 4.822) 5.321 4.839 ( 1.088 -3.086 4.702) 5.729 4.839 ( 1.088 3.086 4.702) 5.729 4.968 ( -0.790 -1.256 1.867) 2.385 4.968 ( -0.790 1.256 1.867) 2.385 5.025 ( 0.013 -2.531 2.089) 3.282 5.025 ( 0.013 2.531 2.089) 3.282 5.112 ( -1.615 -2.018 0.663) 2.668 5.112 ( -1.615 2.018 0.663) 2.668 5.142 ( 0.184 -5.618 -0.919) 5.695 5.142 ( 0.184 5.618 -0.919) 5.695 5.255 ( 0.066 -2.472 0.922) 2.639 5.255 ( 0.066 2.472 0.922) 2.639 5.397 ( 1.611 -2.456 -1.515) 3.305 5.397 ( 1.611 2.456 -1.515) 3.305 5.508 ( -0.632 -0.281 -1.852) 1.977 5.508 ( -0.632 0.281 -1.852) 1.977 5.596 ( -1.096 -2.943 -0.295) 3.155 5.596 ( -1.096 2.943 -0.295) 3.155 6.140 ( -2.781 -0.200 -0.226) 2.797 6.140 ( -2.781 0.200 -0.226) 2.797 6.179 ( -1.296 -0.339 -0.092) 1.343 6.179 ( -1.296 0.339 -0.092) 1.343 6.347 ( 2.857 -0.840 3.061) 4.271 6.347 ( 2.857 0.840 3.061) 4.271 6.516 ( 1.334 -1.161 -2.221) 2.839 6.516 ( 1.334 1.161 -2.221) 2.839 6.671 ( 1.074 -3.294 -1.158) 3.653 6.671 ( 1.074 3.294 -1.158) 3.653 7.109 ( 1.656 -3.545 0.125) 3.915 7.109 ( 1.656 3.545 0.125) 3.915 7.254 ( -0.247 -1.705 4.043) 4.394 7.254 ( -0.247 1.705 4.043) 4.394 7.423 ( 0.645 -2.585 -0.050) 2.664 7.423 ( 0.645 2.585 -0.050) 2.664 7.532 ( -1.827 -2.658 -0.468) 3.259 7.532 ( -1.827 2.658 -0.468) 3.259 7.682 ( 1.087 -1.692 -4.188) 4.646 7.682 ( 1.087 1.692 -4.188) 4.646 7.972 ( 1.652 -2.344 -1.944) 3.465 7.972 ( 1.652 2.344 -1.944) 3.465 8.064 ( -3.431 -2.857 -0.180) 4.469 8.064 ( -3.431 2.857 -0.180) 4.469 8.148 ( 1.323 -2.778 0.102) 3.079 8.148 ( 1.323 2.778 0.102) 3.079 8.234 ( -1.996 -1.387 -0.327) 2.452 8.234 ( -1.996 1.387 -0.327) 2.452 8.394 ( 0.457 -5.821 2.473) 6.341 8.394 ( 0.457 5.821 2.473) 6.341 8.488 ( 1.256 -1.125 2.184) 2.759 8.488 ( 1.256 1.125 2.184) 2.759 8.659 ( 1.495 -2.940 2.347) 4.047 8.659 ( 1.495 2.940 2.347) 4.047 8.727 ( -0.884 -1.783 0.963) 2.211 8.727 ( -0.884 1.783 0.963) 2.211 8.825 ( 4.512 -3.968 2.275) 6.425 8.825 ( 4.512 3.968 2.275) 6.425 9.018 ( 0.075 -0.725 -3.251) 3.331 9.018 ( 0.075 0.725 -3.251) 3.331 9.108 ( -2.672 -2.160 -1.123) 3.615 9.108 ( -2.672 2.160 -1.123) 3.615 9.294 ( 2.297 -2.817 -6.178) 7.168 9.294 ( 2.297 2.817 -6.178) 7.168 9.554 ( 0.974 -0.864 -0.089) 1.305 9.554 ( 0.974 0.864 -0.089) 1.305 9.674 ( 2.910 -1.527 -2.009) 3.852 9.674 ( 2.910 1.527 -2.009) 3.852 9.804 ( -3.697 -2.420 4.875) 6.580 9.804 ( -3.697 2.420 4.875) 6.580 10.015 ( -1.163 -2.669 3.205) 4.330 10.015 ( -1.163 2.669 3.205) 4.330 10.247 ( -0.694 -3.692 -0.539) 3.795 10.247 ( -0.694 3.692 -0.539) 3.795 10.408 ( 0.369 -3.515 2.482) 4.319 10.408 ( 0.369 3.515 2.482) 4.319 10.523 ( 2.556 -1.247 2.237) 3.618 10.523 ( 2.556 1.247 2.237) 3.618 10.649 ( -2.762 -2.580 3.469) 5.130 10.649 ( -2.762 2.580 3.469) 5.130 10.809 ( -2.850 -0.463 -3.528) 4.559 10.809 ( -2.850 0.463 -3.528) 4.559 10.964 ( -1.641 -1.644 0.392) 2.356 10.964 ( -1.641 1.644 0.392) 2.356 11.067 ( -1.456 -0.944 -0.693) 1.869 11.067 ( -1.456 0.944 -0.693) 1.869 11.154 ( 0.839 -2.824 0.857) 3.068 11.154 ( 0.839 2.824 0.857) 3.068 11.306 ( 6.754 -1.108 -4.486) 8.183 11.306 ( 6.754 1.108 -4.486) 8.183 11.446 ( -5.464 -0.877 1.849) 5.835 11.446 ( -5.464 0.877 1.849) 5.835 11.797 ( -10.035 -1.478 -0.762) 10.172 11.797 ( -10.035 1.478 -0.762) 10.172 11.880 ( 2.013 -0.668 -0.149) 2.126 11.880 ( 2.013 0.668 -0.149) 2.126 11.949 ( -2.589 -0.159 1.002) 2.780 11.949 ( -2.589 0.159 1.002) 2.780 12.032 ( 3.492 -0.556 0.600) 3.587 12.032 ( 3.492 0.556 0.600) 3.587 12.136 ( 2.009 -1.598 1.057) 2.776 12.136 ( 2.009 1.598 1.057) 2.776 12.193 ( 1.046 -0.944 -2.711) 3.056 12.193 ( 1.046 0.944 -2.711) 3.056 12.290 ( 1.903 -1.506 0.060) 2.428 12.290 ( 1.903 1.506 0.060) 2.428 12.482 ( 2.249 -0.891 -3.272) 4.069 12.482 ( 2.249 0.891 -3.272) 4.069 12.540 ( 0.895 -4.264 2.076) 4.826 12.540 ( 0.895 4.264 2.076) 4.826 12.620 ( -2.853 -0.582 3.383) 4.463 12.620 ( -2.853 0.582 3.383) 4.463 12.805 ( -0.274 -1.003 -3.113) 3.282 12.805 ( -0.274 1.003 -3.113) 3.282 12.853 ( 1.482 -2.500 -1.431) 3.239 12.853 ( 1.482 2.500 -1.431) 3.239 13.037 ( 1.349 -2.267 -3.522) 4.401 13.037 ( 1.349 2.267 -3.522) 4.401 13.200 ( 1.966 -1.914 -4.855) 5.577 13.200 ( 1.966 1.914 -4.855) 5.577 13.283 ( 1.892 -3.563 1.268) 4.228 13.283 ( 1.892 3.563 1.268) 4.228 13.398 ( 1.655 -2.771 3.821) 5.002 13.398 ( 1.655 2.771 3.821) 5.002 13.573 ( 2.484 -5.702 -1.584) 6.418 13.573 ( 2.484 5.702 -1.584) 6.418 13.753 ( -1.950 -1.834 0.014) 2.677 13.753 ( -1.950 1.834 0.014) 2.677 13.960 ( -2.611 -3.744 6.828) 8.213 13.960 ( -2.611 3.744 6.828) 8.213 14.127 ( -2.273 -6.309 -1.741) 6.928 14.127 ( -2.273 6.309 -1.741) 6.928 14.452 ( -0.083 -6.152 -0.972) 6.229 14.452 ( -0.083 6.152 -0.972) 6.229 14.588 ( 2.220 -0.978 4.499) 5.111 14.588 ( 2.220 0.978 4.499) 5.111 14.776 ( -1.449 -1.278 -0.098) 1.934 14.776 ( -1.449 1.278 -0.098) 1.934 15.068 ( -0.078 -5.074 -4.100) 6.524 15.068 ( -0.078 5.074 -4.100) 6.524 ======================= Grid point 75 (40/69) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -16.003 -18.094 -4.832) 24.634 1.958 ( -16.003 18.094 -4.832) 24.634 2.083 ( -23.362 -10.940 -4.973) 26.272 2.083 ( -23.362 10.940 -4.973) 26.272 2.469 ( -5.668 -4.931 -0.601) 7.537 2.469 ( -5.668 4.931 -0.601) 7.537 2.548 ( -4.575 -0.937 2.207) 5.165 2.548 ( -4.575 0.937 2.207) 5.165 2.987 ( -4.046 -3.944 1.982) 5.988 2.987 ( -4.046 3.944 1.982) 5.988 3.061 ( 1.348 -1.966 1.058) 2.608 3.061 ( 1.348 1.966 1.058) 2.608 3.111 ( -2.974 -3.204 0.075) 4.372 3.111 ( -2.974 3.204 0.075) 4.372 3.157 ( -4.724 -4.557 -3.418) 7.400 3.157 ( -4.724 4.557 -3.418) 7.400 3.264 ( -2.636 -5.433 -3.217) 6.842 3.264 ( -2.636 5.433 -3.217) 6.842 3.386 ( -4.250 -3.243 2.743) 6.009 3.386 ( -4.250 3.243 2.743) 6.009 3.421 ( -5.907 -3.193 -0.645) 6.745 3.421 ( -5.907 3.193 -0.645) 6.745 3.467 ( -0.756 -2.789 2.250) 3.662 3.467 ( -0.756 2.789 2.250) 3.662 3.527 ( -1.180 -4.790 1.362) 5.118 3.527 ( -1.180 4.790 1.362) 5.118 3.592 ( 1.192 -2.036 4.187) 4.806 3.592 ( 1.192 2.036 4.187) 4.806 3.771 ( 0.795 -3.043 1.144) 3.347 3.771 ( 0.795 3.043 1.144) 3.347 3.837 ( 4.847 -5.764 -0.054) 7.531 3.837 ( 4.847 5.764 -0.054) 7.531 3.908 ( -1.949 -2.988 0.651) 3.627 3.908 ( -1.949 2.988 0.651) 3.627 3.982 ( 4.503 -2.193 2.912) 5.794 3.982 ( 4.503 2.193 2.912) 5.794 4.093 ( -0.760 -2.392 -4.539) 5.187 4.093 ( -0.760 2.392 -4.539) 5.187 4.198 ( 2.116 -1.880 -1.223) 3.084 4.198 ( 2.116 1.880 -1.223) 3.084 4.322 ( 2.272 -1.648 -1.913) 3.397 4.322 ( 2.272 1.648 -1.913) 3.397 4.398 ( 4.855 -1.090 -0.681) 5.022 4.398 ( 4.855 1.090 -0.681) 5.022 4.506 ( 4.168 -3.707 -1.212) 5.708 4.506 ( 4.168 3.707 -1.212) 5.708 4.557 ( 2.710 -1.716 -4.331) 5.389 4.557 ( 2.710 1.716 -4.331) 5.389 4.662 ( 0.944 -1.281 0.751) 1.760 4.662 ( 0.944 1.281 0.751) 1.760 4.727 ( -2.209 -4.104 3.964) 6.119 4.727 ( -2.209 4.104 3.964) 6.119 4.774 ( 1.437 -2.882 3.217) 4.551 4.774 ( 1.437 2.882 3.217) 4.551 4.889 ( -0.359 -1.548 0.804) 1.781 4.889 ( -0.359 1.548 0.804) 1.781 4.978 ( -0.534 -2.131 1.636) 2.739 4.978 ( -0.534 2.131 1.636) 2.739 5.013 ( -0.243 -4.084 -0.477) 4.118 5.013 ( -0.243 4.084 -0.477) 4.118 5.088 ( 0.054 -3.817 -1.384) 4.060 5.088 ( 0.054 3.817 -1.384) 4.060 5.182 ( 2.237 -2.653 1.493) 3.778 5.182 ( 2.237 2.653 1.493) 3.778 5.262 ( 0.136 -3.317 0.909) 3.442 5.262 ( 0.136 3.317 0.909) 3.442 5.407 ( 0.460 -2.344 -1.031) 2.601 5.407 ( 0.460 2.344 -1.031) 2.601 5.485 ( -0.170 -1.395 -1.906) 2.369 5.485 ( -0.170 1.395 -1.906) 2.369 5.577 ( -0.476 -2.263 0.479) 2.362 5.577 ( -0.476 2.263 0.479) 2.362 6.068 ( -4.409 -0.841 0.222) 4.494 6.068 ( -4.409 0.841 0.222) 4.494 6.164 ( -1.300 -0.793 0.474) 1.595 6.164 ( -1.300 0.793 0.474) 1.595 6.422 ( 2.717 -1.187 2.301) 3.753 6.422 ( 2.717 1.187 2.301) 3.753 6.533 ( 3.241 -1.231 -2.132) 4.070 6.533 ( 3.241 1.231 -2.132) 4.070 6.697 ( 2.837 -3.430 -0.998) 4.562 6.697 ( 2.837 3.430 -0.998) 4.562 7.125 ( 0.775 -3.651 -1.649) 4.081 7.125 ( 0.775 3.651 -1.649) 4.081 7.296 ( 0.362 -1.405 4.413) 4.646 7.296 ( 0.362 1.405 4.413) 4.646 7.436 ( 0.344 -1.620 -1.347) 2.134 7.436 ( 0.344 1.620 -1.347) 2.134 7.512 ( 0.322 -1.593 2.095) 2.651 7.512 ( 0.322 1.593 2.095) 2.651 7.677 ( 1.797 -1.024 -3.624) 4.172 7.677 ( 1.797 1.024 -3.624) 4.172 7.887 ( -5.327 -0.660 -2.462) 5.905 7.887 ( -5.327 0.660 -2.462) 5.905 8.081 ( 3.215 -2.295 0.180) 3.955 8.081 ( 3.215 2.295 0.180) 3.955 8.173 ( 0.448 -1.349 0.288) 1.450 8.173 ( 0.448 1.349 0.288) 1.450 8.249 ( 1.982 -1.845 3.345) 4.304 8.249 ( 1.982 1.845 3.345) 4.304 8.427 ( 1.470 -4.092 0.925) 4.445 8.427 ( 1.470 4.092 0.925) 4.445 8.527 ( 1.513 -3.355 0.696) 3.746 8.527 ( 1.513 3.355 0.696) 3.746 8.677 ( 0.452 -1.548 1.814) 2.427 8.677 ( 0.452 1.548 1.814) 2.427 8.806 ( 6.416 -1.415 1.331) 6.703 8.806 ( 6.416 1.415 1.331) 6.703 8.891 ( 1.438 -0.628 0.635) 1.693 8.891 ( 1.438 0.628 0.635) 1.693 9.005 ( 0.986 -1.536 -3.992) 4.389 9.005 ( 0.986 1.536 -3.992) 4.389 9.059 ( -0.356 -2.154 0.344) 2.210 9.059 ( -0.356 2.154 0.344) 2.210 9.299 ( 2.925 -2.917 -4.216) 5.902 9.299 ( 2.925 2.917 -4.216) 5.902 9.554 ( -0.724 -2.331 -1.119) 2.685 9.554 ( -0.724 2.331 -1.119) 2.685 9.701 ( 2.220 -2.575 -2.734) 4.362 9.701 ( 2.220 2.575 -2.734) 4.362 9.781 ( -3.952 -2.525 5.429) 7.175 9.781 ( -3.952 2.525 5.429) 7.175 10.013 ( -1.738 -3.200 2.504) 4.419 10.013 ( -1.738 3.200 2.504) 4.419 10.216 ( -1.178 -3.211 -1.438) 3.710 10.216 ( -1.178 3.211 -1.438) 3.710 10.421 ( -1.324 -3.191 1.936) 3.961 10.421 ( -1.324 3.191 1.936) 3.961 10.564 ( -4.692 -3.826 -0.000) 6.054 10.564 ( -4.692 3.826 -0.000) 6.054 10.629 ( -0.474 -0.790 3.906) 4.013 10.629 ( -0.474 0.790 3.906) 4.013 10.726 ( -2.973 -1.457 -2.391) 4.084 10.726 ( -2.973 1.457 -2.391) 4.084 10.896 ( -4.975 -1.467 1.765) 5.479 10.896 ( -4.975 1.467 1.765) 5.479 11.046 ( -0.328 -2.254 -0.814) 2.419 11.046 ( -0.328 2.254 -0.814) 2.419 11.171 ( 0.296 -3.725 1.040) 3.879 11.171 ( 0.296 3.725 1.040) 3.879 11.326 ( -2.488 -0.998 0.090) 2.682 11.326 ( -2.488 0.998 0.090) 2.682 11.389 ( -2.306 -0.996 -1.443) 2.897 11.389 ( -2.306 0.996 -1.443) 2.897 11.655 ( -2.507 -0.983 -2.355) 3.577 11.655 ( -2.507 0.983 -2.355) 3.577 11.845 ( -3.325 -0.572 -1.685) 3.771 11.845 ( -3.325 0.572 -1.685) 3.771 11.951 ( -1.776 -0.243 4.580) 4.918 11.951 ( -1.776 0.243 4.580) 4.918 12.107 ( 2.943 -0.994 -1.786) 3.584 12.107 ( 2.943 0.994 -1.786) 3.584 12.164 ( 1.369 -1.236 -1.366) 2.295 12.164 ( 1.369 1.236 -1.366) 2.295 12.210 ( 4.890 -2.062 -0.090) 5.308 12.210 ( 4.890 2.062 -0.090) 5.308 12.352 ( 4.460 -0.701 -0.313) 4.526 12.352 ( 4.460 0.701 -0.313) 4.526 12.479 ( 0.311 -2.038 -1.774) 2.720 12.479 ( 0.311 2.038 -1.774) 2.720 12.550 ( -1.866 -1.400 1.918) 3.020 12.550 ( -1.866 1.400 1.918) 3.020 12.632 ( 0.741 -1.756 3.483) 3.970 12.632 ( 0.741 1.756 3.483) 3.970 12.782 ( 0.863 -1.047 -2.626) 2.956 12.782 ( 0.863 1.047 -2.626) 2.956 12.884 ( 2.730 -3.932 -0.498) 4.813 12.884 ( 2.730 3.932 -0.498) 4.813 13.009 ( -0.372 -2.367 -4.358) 4.973 13.009 ( -0.372 2.367 -4.358) 4.973 13.159 ( -1.104 -1.306 -5.377) 5.642 13.159 ( -1.104 1.306 -5.377) 5.642 13.304 ( -0.310 -3.419 -1.002) 3.576 13.304 ( -0.310 3.419 -1.002) 3.576 13.469 ( 3.739 -2.786 -0.186) 4.667 13.469 ( 3.739 2.786 -0.186) 4.667 13.615 ( 0.649 -6.891 5.080) 8.585 13.615 ( 0.649 6.891 5.080) 8.585 13.794 ( 7.328 -4.836 -1.617) 8.927 13.794 ( 7.328 4.836 -1.617) 8.927 13.963 ( -1.774 -4.180 3.157) 5.531 13.963 ( -1.774 4.180 3.157) 5.531 14.092 ( -3.464 -4.252 5.392) 7.691 14.092 ( -3.464 4.252 5.392) 7.691 14.450 ( 1.456 -6.614 -2.289) 7.149 14.450 ( 1.456 6.614 -2.289) 7.149 14.631 ( -0.340 -1.709 0.861) 1.944 14.631 ( -0.340 1.709 0.861) 1.944 14.758 ( -1.100 -1.766 2.447) 3.212 14.758 ( -1.100 1.766 2.447) 3.212 15.015 ( -1.737 -4.305 -4.465) 6.441 15.015 ( -1.737 4.305 -4.465) 6.441 ======================= Grid point 77 (41/69) ======================= q-point: (-0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -21.165 -7.235 -5.278) 22.982 1.572 ( -21.165 7.235 -5.278) 22.982 1.674 ( -21.393 -10.310 1.016) 23.770 1.674 ( -21.393 10.310 1.016) 23.770 2.358 ( -8.638 -10.456 3.942) 14.124 2.358 ( -8.638 10.456 3.942) 14.124 2.488 ( -6.312 -3.121 2.683) 7.535 2.488 ( -6.312 3.121 2.683) 7.535 2.742 ( -19.078 -15.885 1.688) 24.882 2.742 ( -19.078 15.885 1.688) 24.882 2.935 ( -6.173 -4.819 -7.277) 10.690 2.935 ( -6.173 4.819 -7.277) 10.690 3.054 ( -3.455 -4.853 -2.345) 6.403 3.054 ( -3.455 4.853 -2.345) 6.403 3.121 ( -1.641 -4.739 -3.694) 6.229 3.121 ( -1.641 4.739 -3.694) 6.229 3.191 ( -2.006 -4.599 1.505) 5.238 3.191 ( -2.006 4.599 1.505) 5.238 3.293 ( -6.385 -9.944 3.978) 12.468 3.293 ( -6.385 9.944 3.978) 12.468 3.443 ( -0.249 -1.981 3.799) 4.291 3.443 ( -0.249 1.981 3.799) 4.291 3.501 ( 0.585 -0.637 2.764) 2.897 3.501 ( 0.585 0.637 2.764) 2.897 3.549 ( 6.167 -3.024 -0.403) 6.880 3.549 ( 6.167 3.024 -0.403) 6.880 3.675 ( 3.224 -4.763 2.441) 6.248 3.675 ( 3.224 4.763 2.441) 6.248 3.801 ( 0.150 -4.326 -1.523) 4.588 3.801 ( 0.150 4.326 -1.523) 4.588 3.876 ( 2.229 -2.835 2.068) 4.157 3.876 ( 2.229 2.835 2.068) 4.157 3.927 ( 1.203 -3.911 0.866) 4.183 3.927 ( 1.203 3.911 0.866) 4.183 4.080 ( 4.928 -1.727 -0.188) 5.225 4.080 ( 4.928 1.727 -0.188) 5.225 4.140 ( 6.004 -3.040 0.902) 6.790 4.140 ( 6.004 3.040 0.902) 6.790 4.202 ( 0.479 -3.768 -2.091) 4.336 4.202 ( 0.479 3.768 -2.091) 4.336 4.315 ( 1.510 -1.655 -4.256) 4.810 4.315 ( 1.510 1.655 -4.256) 4.810 4.470 ( 2.969 -1.924 -1.772) 3.957 4.470 ( 2.969 1.924 -1.772) 3.957 4.557 ( 2.817 -1.980 -2.344) 4.166 4.557 ( 2.817 1.980 -2.344) 4.166 4.596 ( 4.357 -0.484 -0.469) 4.409 4.596 ( 4.357 0.484 -0.469) 4.409 4.684 ( 0.066 -2.113 3.494) 4.084 4.684 ( 0.066 2.113 3.494) 4.084 4.740 ( -0.003 -1.440 3.437) 3.726 4.740 ( -0.003 1.440 3.437) 3.726 4.784 ( -1.054 -1.083 -2.172) 2.646 4.784 ( -1.054 1.083 -2.172) 2.646 4.848 ( -1.288 -5.376 -1.926) 5.854 4.848 ( -1.288 5.376 -1.926) 5.854 4.958 ( -1.917 -0.711 1.371) 2.462 4.958 ( -1.917 0.711 1.371) 2.462 5.042 ( 1.331 -2.583 0.595) 2.966 5.042 ( 1.331 2.583 0.595) 2.966 5.106 ( 2.728 -1.512 -0.242) 3.128 5.106 ( 2.728 1.512 -0.242) 3.128 5.188 ( -1.472 -1.107 -0.562) 1.926 5.188 ( -1.472 1.107 -0.562) 1.926 5.282 ( -0.081 -1.611 1.814) 2.427 5.282 ( -0.081 1.611 1.814) 2.427 5.389 ( -1.833 -2.449 -0.363) 3.080 5.389 ( -1.833 2.449 -0.363) 3.080 5.471 ( 0.026 -0.870 -0.331) 0.931 5.471 ( 0.026 0.870 -0.331) 0.931 5.597 ( 2.017 -1.486 0.305) 2.524 5.597 ( 2.017 1.486 0.305) 2.524 6.003 ( -3.601 -2.159 0.848) 4.283 6.003 ( -3.601 2.159 0.848) 4.283 6.139 ( -1.700 -1.170 -0.136) 2.068 6.139 ( -1.700 1.170 -0.136) 2.068 6.476 ( 1.937 -1.432 1.209) 2.695 6.476 ( 1.937 1.432 1.209) 2.695 6.601 ( 5.820 -1.516 -0.780) 6.065 6.601 ( 5.820 1.516 -0.780) 6.065 6.747 ( 3.288 -3.441 0.225) 4.765 6.747 ( 3.288 3.441 0.225) 4.765 7.110 ( 0.412 -3.138 -3.613) 4.803 7.110 ( 0.412 3.138 -3.613) 4.803 7.311 ( -2.430 -3.721 2.495) 5.096 7.311 ( -2.430 3.721 2.495) 5.096 7.437 ( 1.478 -3.051 -0.279) 3.401 7.437 ( 1.478 3.051 -0.279) 3.401 7.566 ( 1.892 -1.747 3.154) 4.071 7.566 ( 1.892 1.747 3.154) 4.071 7.657 ( -1.533 -1.630 -1.232) 2.554 7.657 ( -1.533 1.630 -1.232) 2.554 7.825 ( 0.585 -1.243 -1.836) 2.293 7.825 ( 0.585 1.243 -1.836) 2.293 8.140 ( 3.031 -2.566 -0.456) 3.997 8.140 ( 3.031 2.566 -0.456) 3.997 8.193 ( 2.252 -1.972 1.146) 3.205 8.193 ( 2.252 1.972 1.146) 3.205 8.309 ( 1.432 -2.000 1.616) 2.943 8.309 ( 1.432 2.000 1.616) 2.943 8.456 ( 1.921 -1.417 -0.955) 2.571 8.456 ( 1.921 1.417 -0.955) 2.571 8.557 ( 1.165 -3.475 1.293) 3.887 8.557 ( 1.165 3.475 1.293) 3.887 8.752 ( 5.726 -2.165 2.703) 6.692 8.752 ( 5.726 2.165 2.703) 6.692 8.838 ( -2.314 -0.767 -0.824) 2.573 8.838 ( -2.314 0.767 -0.824) 2.573 8.947 ( 1.282 -4.163 -4.810) 6.489 8.947 ( 1.282 4.163 -4.810) 6.489 9.002 ( 6.406 -1.982 0.727) 6.745 9.002 ( 6.406 1.982 0.727) 6.745 9.113 ( 2.782 -1.553 4.495) 5.509 9.113 ( 2.782 1.553 4.495) 5.509 9.320 ( 3.623 -2.857 -3.654) 5.886 9.320 ( 3.623 2.857 -3.654) 5.886 9.477 ( -6.992 -5.227 -4.369) 9.762 9.477 ( -6.992 5.227 -4.369) 9.762 9.662 ( -1.352 -4.489 -2.974) 5.552 9.662 ( -1.352 4.489 -2.974) 5.552 9.803 ( -1.537 -2.276 7.114) 7.626 9.803 ( -1.537 2.276 7.114) 7.626 9.999 ( -1.758 -2.918 0.093) 3.408 9.999 ( -1.758 2.918 0.093) 3.408 10.186 ( -2.399 -2.998 -0.524) 3.876 10.186 ( -2.399 2.998 -0.524) 3.876 10.298 ( -11.297 -2.152 -2.356) 11.739 10.298 ( -11.297 2.152 -2.356) 11.739 10.509 ( 0.768 -1.200 2.575) 2.943 10.509 ( 0.768 1.200 2.575) 2.943 10.576 ( -5.650 -1.153 -1.027) 5.857 10.576 ( -5.650 1.153 -1.027) 5.857 10.757 ( 1.854 -3.102 5.736) 6.779 10.757 ( 1.854 3.102 5.736) 6.779 10.850 ( -2.214 -1.068 0.489) 2.507 10.850 ( -2.214 1.068 0.489) 2.507 11.027 ( -0.624 -3.516 -1.514) 3.879 11.027 ( -0.624 3.516 -1.514) 3.879 11.168 ( -1.373 -3.203 -2.094) 4.066 11.168 ( -1.373 3.203 -2.094) 4.066 11.276 ( -4.376 -0.999 4.149) 6.113 11.276 ( -4.376 0.999 4.149) 6.113 11.312 ( -4.081 -1.267 0.120) 4.275 11.312 ( -4.081 1.267 0.120) 4.275 11.664 ( 5.231 -0.820 -4.994) 7.279 11.664 ( 5.231 0.820 -4.994) 7.279 11.773 ( -2.776 -0.116 -2.059) 3.458 11.773 ( -2.776 0.116 -2.059) 3.458 11.941 ( -3.430 -0.606 4.002) 5.305 11.941 ( -3.430 0.606 4.002) 5.305 12.093 ( -1.015 -1.544 -1.866) 2.627 12.093 ( -1.015 1.544 -1.866) 2.627 12.198 ( 2.804 -1.957 0.139) 3.422 12.198 ( 2.804 1.957 0.139) 3.422 12.299 ( 4.161 -2.700 -2.378) 5.501 12.299 ( 4.161 2.700 -2.378) 5.501 12.428 ( 3.682 -1.215 0.333) 3.892 12.428 ( 3.682 1.215 0.333) 3.892 12.496 ( 2.040 -2.304 2.444) 3.929 12.496 ( 2.040 2.304 2.444) 3.929 12.541 ( 1.528 -0.646 -0.656) 1.783 12.541 ( 1.528 0.646 -0.656) 1.783 12.681 ( 1.077 -1.887 3.781) 4.361 12.681 ( 1.077 1.887 3.781) 4.361 12.784 ( 0.577 -1.761 -1.036) 2.123 12.784 ( 0.577 1.761 -1.036) 2.123 12.915 ( 0.497 -4.204 -1.037) 4.359 12.915 ( 0.497 4.204 -1.037) 4.359 12.960 ( -1.947 -3.523 -1.419) 4.268 12.960 ( -1.947 3.523 -1.419) 4.268 13.097 ( 1.539 -1.656 -6.762) 7.130 13.097 ( 1.539 1.656 -6.762) 7.130 13.266 ( -0.764 -2.400 -4.408) 5.077 13.266 ( -0.764 2.400 -4.408) 5.077 13.493 ( 2.259 -6.187 -4.771) 8.133 13.493 ( 2.259 6.187 -4.771) 8.133 13.709 ( 2.172 -6.506 8.416) 10.857 13.709 ( 2.172 6.506 8.416) 10.857 13.901 ( 4.193 -6.529 -1.198) 7.852 13.901 ( 4.193 6.529 -1.198) 7.852 13.968 ( -1.748 -2.706 5.460) 6.340 13.968 ( -1.748 2.706 5.460) 6.340 14.113 ( 0.833 -3.590 6.381) 7.369 14.113 ( 0.833 3.590 6.381) 7.369 14.463 ( 2.812 -4.995 -3.182) 6.557 14.463 ( 2.812 4.995 -3.182) 6.557 14.611 ( -1.535 -1.693 -0.003) 2.285 14.611 ( -1.535 1.693 -0.003) 2.285 14.770 ( -0.580 -0.659 2.347) 2.505 14.770 ( -0.580 0.659 2.347) 2.505 14.932 ( -3.439 -2.937 -4.094) 6.100 14.932 ( -3.439 2.937 -4.094) 6.100 ======================= Grid point 79 (42/69) ======================= q-point: (-0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -16.405 -17.734 5.785) 24.841 1.225 ( -16.405 17.734 5.785) 24.841 1.385 ( -13.955 -23.767 6.290) 28.269 1.385 ( -13.955 23.767 6.290) 28.269 2.234 ( -12.817 -28.950 12.276) 33.957 2.234 ( -12.817 28.950 12.276) 33.957 2.367 ( -6.156 -13.732 1.165) 15.094 2.367 ( -6.156 13.732 1.165) 15.094 2.565 ( -4.570 -3.137 0.234) 5.548 2.565 ( -4.570 3.137 0.234) 5.548 2.753 ( -4.718 -5.922 -10.589) 13.018 2.753 ( -4.718 5.922 -10.589) 13.018 2.942 ( 0.129 -9.461 -15.807) 18.423 2.942 ( 0.129 9.461 -15.807) 18.423 3.067 ( -4.366 -3.867 5.555) 8.054 3.067 ( -4.366 3.867 5.555) 8.054 3.184 ( -1.741 -7.371 1.868) 7.801 3.184 ( -1.741 7.371 1.868) 7.801 3.252 ( -1.961 -8.818 3.811) 9.804 3.252 ( -1.961 8.818 3.811) 9.804 3.429 ( -2.227 -5.198 4.961) 7.523 3.429 ( -2.227 5.198 4.961) 7.523 3.594 ( 2.555 -0.770 3.343) 4.278 3.594 ( 2.555 0.770 3.343) 4.278 3.632 ( 3.110 -2.673 0.078) 4.102 3.632 ( 3.110 2.673 0.078) 4.102 3.746 ( 3.238 -4.729 0.750) 5.780 3.746 ( 3.238 4.729 0.750) 5.780 3.787 ( 0.496 -3.570 -0.920) 3.720 3.787 ( 0.496 3.570 -0.920) 3.720 3.892 ( 0.189 -0.642 -0.928) 1.144 3.892 ( 0.189 0.642 -0.928) 1.144 3.987 ( 2.021 -0.917 2.921) 3.669 3.987 ( 2.021 0.917 2.921) 3.669 4.132 ( 0.724 -1.602 -2.074) 2.719 4.132 ( 0.724 1.602 -2.074) 2.719 4.180 ( 0.285 -4.657 -2.378) 5.237 4.180 ( 0.285 4.657 -2.378) 5.237 4.228 ( 2.410 -1.290 -1.970) 3.369 4.228 ( 2.410 1.290 -1.970) 3.369 4.324 ( 3.751 -2.354 -2.385) 5.030 4.324 ( 3.751 2.354 -2.385) 5.030 4.464 ( -1.039 -3.427 -1.265) 3.798 4.464 ( -1.039 3.427 -1.265) 3.798 4.574 ( 2.250 -1.898 -4.994) 5.797 4.574 ( 2.250 1.898 -4.994) 5.797 4.656 ( 2.975 -3.865 0.753) 4.935 4.656 ( 2.975 3.865 0.753) 4.935 4.701 ( -1.790 -2.662 1.641) 3.603 4.701 ( -1.790 2.662 1.641) 3.603 4.749 ( 1.370 -0.417 -1.383) 1.991 4.749 ( 1.370 0.417 -1.383) 1.991 4.793 ( 0.721 -6.832 -0.205) 6.873 4.793 ( 0.721 6.832 -0.205) 6.873 4.850 ( 3.428 -0.922 0.989) 3.685 4.850 ( 3.428 0.922 0.989) 3.685 4.948 ( -0.527 -1.471 0.215) 1.577 4.948 ( -0.527 1.471 0.215) 1.577 5.050 ( -1.207 -1.319 1.836) 2.563 5.050 ( -1.207 1.319 1.836) 2.563 5.131 ( -0.543 -1.829 0.519) 1.977 5.131 ( -0.543 1.829 0.519) 1.977 5.176 ( 0.960 -0.094 -0.219) 0.989 5.176 ( 0.960 0.094 -0.219) 0.989 5.282 ( -0.744 -1.750 1.619) 2.497 5.282 ( -0.744 1.750 1.619) 2.497 5.349 ( -2.614 -1.910 0.633) 3.298 5.349 ( -2.614 1.910 0.633) 3.298 5.480 ( 0.207 -1.342 1.264) 1.855 5.480 ( 0.207 1.342 1.264) 1.855 5.632 ( 1.854 -0.892 -0.945) 2.264 5.632 ( 1.854 0.892 -0.945) 2.264 5.960 ( -2.307 -3.585 1.084) 4.399 5.960 ( -2.307 3.585 1.084) 4.399 6.108 ( -1.028 -1.834 -1.281) 2.462 6.108 ( -1.028 1.834 -1.281) 2.462 6.507 ( 0.714 -1.421 0.197) 1.602 6.507 ( 0.714 1.421 0.197) 1.602 6.705 ( 6.146 -1.175 -1.008) 6.338 6.705 ( 6.146 1.175 -1.008) 6.338 6.814 ( 2.781 -3.081 2.546) 4.870 6.814 ( 2.781 3.081 2.546) 4.870 7.086 ( 1.166 -3.219 -4.008) 5.271 7.086 ( 1.166 3.219 -4.008) 5.271 7.280 ( -3.027 -2.549 1.857) 4.371 7.280 ( -3.027 2.549 1.857) 4.371 7.452 ( 0.724 -1.097 -1.752) 2.190 7.452 ( 0.724 1.097 -1.752) 2.190 7.595 ( -0.384 -0.699 -1.134) 1.387 7.595 ( -0.384 0.699 -1.134) 1.387 7.646 ( -0.539 -0.599 4.093) 4.172 7.646 ( -0.539 0.599 4.093) 4.172 7.843 ( 2.104 -2.351 -1.356) 3.434 7.843 ( 2.104 2.351 -1.356) 3.434 8.158 ( 0.143 -3.207 -0.532) 3.254 8.158 ( 0.143 3.207 -0.532) 3.254 8.273 ( 3.300 -1.978 1.383) 4.088 8.273 ( 3.300 1.978 1.383) 4.088 8.347 ( 4.883 -1.201 -2.435) 5.587 8.347 ( 4.883 1.201 -2.435) 5.587 8.482 ( 2.929 -2.335 -0.966) 3.868 8.482 ( 2.929 2.335 -0.966) 3.868 8.594 ( 0.788 -2.055 2.780) 3.546 8.594 ( 0.788 2.055 2.780) 3.546 8.768 ( -1.585 -0.957 -4.834) 5.176 8.768 ( -1.585 0.957 -4.834) 5.176 8.817 ( -1.172 -2.376 -2.861) 3.899 8.817 ( -1.172 2.376 -2.861) 3.899 8.968 ( 3.441 -0.657 4.313) 5.557 8.968 ( 3.441 0.657 4.313) 5.557 9.114 ( 4.386 -3.323 1.081) 5.608 9.114 ( 4.386 3.323 1.081) 5.608 9.220 ( 2.898 -3.086 5.416) 6.874 9.220 ( 2.898 3.086 5.416) 6.874 9.264 ( -9.758 -6.433 -4.532) 12.535 9.264 ( -9.758 6.433 -4.532) 12.535 9.374 ( 4.654 -2.308 -0.227) 5.200 9.374 ( 4.654 2.308 -0.227) 5.200 9.631 ( -1.154 -3.687 -0.614) 3.912 9.631 ( -1.154 3.687 -0.614) 3.912 9.800 ( -4.386 -2.177 3.808) 6.203 9.800 ( -4.386 2.177 3.808) 6.203 9.948 ( -3.405 -1.436 0.290) 3.707 9.948 ( -3.405 1.436 0.290) 3.707 10.038 ( -8.634 -0.702 -0.353) 8.670 10.038 ( -8.634 0.702 -0.353) 8.670 10.226 ( 0.781 -1.499 -1.669) 2.375 10.226 ( 0.781 1.499 -1.669) 2.375 10.469 ( -3.605 -0.897 -3.651) 5.208 10.469 ( -3.605 0.897 -3.651) 5.208 10.557 ( 0.968 -2.577 1.053) 2.947 10.557 ( 0.968 2.577 1.053) 2.947 10.801 ( -3.128 -2.259 6.043) 7.170 10.801 ( -3.128 2.259 6.043) 7.170 10.851 ( 2.513 -1.284 0.928) 2.971 10.851 ( 2.513 1.284 0.928) 2.971 11.009 ( -0.941 -4.252 0.198) 4.359 11.009 ( -0.941 4.252 0.198) 4.359 11.084 ( -3.206 -2.362 -4.333) 5.885 11.084 ( -3.206 2.362 -4.333) 5.885 11.232 ( -4.054 -1.293 3.476) 5.494 11.232 ( -4.054 1.293 3.476) 5.494 11.301 ( -0.310 -0.621 3.052) 3.130 11.301 ( -0.310 0.621 3.052) 3.130 11.697 ( 2.430 -1.507 -4.642) 5.452 11.697 ( 2.430 1.507 -4.642) 5.452 11.730 ( 1.283 -0.967 -3.262) 3.636 11.730 ( 1.283 0.967 -3.262) 3.636 11.915 ( -2.882 -1.018 3.227) 4.445 11.915 ( -2.882 1.018 3.227) 4.445 12.070 ( -0.444 -1.292 0.018) 1.366 12.070 ( -0.444 1.292 0.018) 1.366 12.237 ( 1.299 -1.617 -0.681) 2.183 12.237 ( 1.299 1.617 -0.681) 2.183 12.328 ( 2.471 -4.259 -1.529) 5.156 12.328 ( 2.471 4.259 -1.529) 5.156 12.475 ( 1.230 -0.952 2.093) 2.607 12.475 ( 1.230 0.952 2.093) 2.607 12.539 ( 2.346 -1.688 -0.945) 3.041 12.539 ( 2.346 1.688 -0.945) 3.041 12.618 ( 3.924 -2.365 0.671) 4.631 12.618 ( 3.924 2.365 0.671) 4.631 12.724 ( 0.681 -2.305 1.451) 2.807 12.724 ( 0.681 2.305 1.451) 2.807 12.781 ( -0.473 -1.511 1.595) 2.247 12.781 ( -0.473 1.511 1.595) 2.247 12.859 ( -3.969 -1.348 -0.704) 4.250 12.859 ( -3.969 1.348 -0.704) 4.250 12.940 ( -0.056 -3.979 -0.832) 4.065 12.940 ( -0.056 3.979 -0.832) 4.065 13.109 ( 3.891 -2.145 -4.383) 6.241 13.109 ( 3.891 2.145 -4.383) 6.241 13.224 ( 2.538 -3.739 -7.103) 8.419 13.224 ( 2.538 3.739 -7.103) 8.419 13.484 ( 1.726 -7.065 -5.241) 8.964 13.484 ( 1.726 7.065 -5.241) 8.964 13.790 ( 1.016 -6.290 2.664) 6.906 13.790 ( 1.016 6.290 2.664) 6.906 13.910 ( -4.912 -2.852 6.429) 8.579 13.910 ( -4.912 2.852 6.429) 8.579 13.998 ( 0.205 -2.359 4.284) 4.895 13.998 ( 0.205 2.359 4.284) 4.895 14.219 ( 4.058 -5.353 5.025) 8.389 14.219 ( 4.058 5.353 5.025) 8.389 14.487 ( 2.628 -1.981 -3.369) 4.710 14.487 ( 2.628 1.981 -3.369) 4.710 14.599 ( 0.540 -1.435 0.282) 1.559 14.599 ( 0.540 1.435 0.282) 1.559 14.771 ( -0.942 -1.197 0.718) 1.684 14.771 ( -0.942 1.197 0.718) 1.684 14.833 ( -3.847 -1.580 -2.677) 4.946 14.833 ( -3.847 1.580 -2.677) 4.946 ======================= Grid point 90 (43/69) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -6.083 0.000 30.936) 31.529 1.288 ( -2.476 0.000 31.637) 31.734 1.838 ( 6.890 0.000 -26.487) 27.368 1.867 ( 1.010 0.000 -25.435) 25.455 1.964 ( 1.858 0.000 5.446) 5.755 2.106 ( 1.184 0.000 -2.394) 2.671 2.238 ( -1.416 0.000 38.567) 38.593 2.336 ( 1.193 0.000 14.404) 14.454 2.464 ( -1.392 0.000 0.311) 1.426 2.464 ( 2.342 0.000 10.907) 11.156 2.571 ( -0.243 0.000 0.043) 0.247 2.589 ( -0.773 0.000 7.249) 7.290 2.685 ( -0.099 0.000 -12.119) 12.119 2.740 ( 1.255 0.000 -9.909) 9.988 2.777 ( -1.158 0.000 -14.517) 14.563 3.106 ( -0.195 0.000 -30.794) 30.795 3.260 ( 2.705 0.000 -1.301) 3.001 3.306 ( -4.275 0.000 -1.596) 4.563 3.387 ( -5.663 0.000 6.454) 8.586 3.469 ( 4.227 0.000 -0.518) 4.258 3.580 ( -3.024 0.000 5.795) 6.536 3.625 ( 2.558 0.000 4.328) 5.027 3.626 ( -0.210 0.000 0.437) 0.484 3.631 ( 3.501 0.000 1.191) 3.698 3.654 ( -2.815 0.000 5.064) 5.794 3.700 ( 0.953 0.000 -1.820) 2.055 3.736 ( -1.609 0.000 -2.693) 3.137 3.747 ( -1.978 0.000 -1.948) 2.776 3.821 ( -0.209 0.000 0.908) 0.932 3.835 ( -2.187 0.000 5.289) 5.723 3.883 ( 0.349 0.000 3.097) 3.117 3.941 ( -0.193 0.000 -3.037) 3.043 3.984 ( -0.754 0.000 0.670) 1.008 4.007 ( 1.838 0.000 5.929) 6.208 4.021 ( -0.867 0.000 2.729) 2.864 4.125 ( -1.954 0.000 -5.620) 5.950 4.130 ( -0.592 0.000 1.328) 1.454 4.176 ( -0.543 0.000 -2.230) 2.296 4.232 ( 1.075 0.000 -1.237) 1.639 4.241 ( 0.194 0.000 1.271) 1.286 4.291 ( 1.617 0.000 -2.161) 2.699 4.332 ( 2.426 0.000 -7.569) 7.948 4.381 ( 1.536 0.000 1.958) 2.489 4.441 ( 0.828 0.000 -3.615) 3.709 4.532 ( -2.720 0.000 -1.486) 3.100 4.540 ( 2.108 0.000 -0.838) 2.268 4.590 ( 1.725 0.000 0.232) 1.740 4.592 ( -0.553 0.000 -0.387) 0.675 4.613 ( 0.694 0.000 3.590) 3.657 4.647 ( 0.199 0.000 1.842) 1.852 4.749 ( 0.686 0.000 -0.764) 1.027 4.759 ( -0.088 0.000 -2.531) 2.533 4.775 ( -2.032 0.000 -1.692) 2.645 4.785 ( -2.031 0.000 -0.134) 2.035 4.894 ( -0.723 0.000 1.548) 1.708 4.915 ( -0.294 0.000 0.114) 0.316 4.939 ( 1.624 0.000 -1.340) 2.106 4.939 ( 0.982 0.000 -1.423) 1.729 5.020 ( -4.251 0.000 0.855) 4.336 5.027 ( 3.834 0.000 0.198) 3.840 5.068 ( -0.234 0.000 1.376) 1.396 5.100 ( 0.429 0.000 -1.586) 1.643 5.190 ( -1.090 0.000 1.254) 1.662 5.202 ( 1.798 0.000 -0.026) 1.798 5.277 ( 0.914 0.000 2.531) 2.691 5.301 ( -1.738 0.000 -0.246) 1.755 5.460 ( -2.167 0.000 3.053) 3.744 5.488 ( 0.885 0.000 3.149) 3.271 5.535 ( -0.758 0.000 -0.204) 0.785 5.547 ( 2.068 0.000 0.165) 2.074 5.583 ( -0.302 0.000 -1.904) 1.927 5.590 ( -0.460 0.000 -1.411) 1.484 5.912 ( -0.303 0.000 3.605) 3.618 5.982 ( 0.208 0.000 -3.360) 3.367 6.034 ( -0.897 0.000 1.058) 1.387 6.069 ( 0.524 0.000 -2.496) 2.550 6.510 ( -0.132 0.000 -0.007) 0.132 6.525 ( -0.333 0.000 -1.711) 1.743 6.731 ( -8.589 0.000 0.439) 8.600 6.740 ( 6.897 0.000 -0.380) 6.907 6.914 ( -3.652 0.000 5.283) 6.422 6.924 ( -0.464 0.000 3.422) 3.453 6.976 ( 3.240 0.000 -2.152) 3.889 7.035 ( 1.325 0.000 -6.354) 6.491 7.264 ( -0.879 0.000 1.255) 1.532 7.295 ( 4.229 0.000 -1.460) 4.474 7.364 ( -4.241 0.000 0.590) 4.282 7.395 ( 1.899 0.000 -2.278) 2.965 7.532 ( -0.739 0.000 -0.492) 0.887 7.532 ( 0.655 0.000 -0.447) 0.793 7.721 ( -1.410 0.000 3.332) 3.618 7.731 ( -1.664 0.000 2.946) 3.383 7.766 ( 1.647 0.000 -0.753) 1.811 7.796 ( 0.567 0.000 -4.183) 4.222 8.123 ( -0.024 0.000 0.111) 0.113 8.138 ( -0.516 0.000 -1.272) 1.373 8.275 ( 0.886 0.000 0.846) 1.225 8.297 ( -2.667 0.000 -1.747) 3.189 8.362 ( -3.776 0.000 0.652) 3.832 8.370 ( 5.683 0.000 0.302) 5.691 8.541 ( -1.657 0.000 0.477) 1.724 8.561 ( 3.149 0.000 -1.021) 3.310 8.645 ( -3.383 0.000 1.348) 3.641 8.653 ( -3.262 0.000 2.479) 4.098 8.688 ( 5.773 0.000 -0.950) 5.850 8.713 ( 4.607 0.000 -2.071) 5.051 8.740 ( -3.650 0.000 2.408) 4.373 8.789 ( 2.650 0.000 -1.710) 3.154 8.995 ( -0.525 0.000 0.625) 0.816 9.022 ( -3.256 0.000 -2.406) 4.049 9.143 ( 1.553 0.000 3.684) 3.998 9.182 ( -0.240 0.000 -0.010) 0.240 9.205 ( -2.891 0.000 0.700) 2.975 9.206 ( 6.086 0.000 0.069) 6.087 9.362 ( 1.162 0.000 1.060) 1.573 9.377 ( -5.680 0.000 -0.977) 5.763 9.505 ( 2.255 0.000 7.946) 8.259 9.669 ( 1.965 0.000 -1.417) 2.422 9.673 ( -8.129 0.000 -0.470) 8.143 9.705 ( 12.505 0.000 -9.859) 15.923 9.716 ( 4.582 0.000 3.575) 5.812 9.738 ( -6.664 0.000 2.245) 7.032 9.848 ( 1.170 0.000 1.852) 2.191 9.863 ( -5.631 0.000 0.212) 5.635 9.950 ( 2.323 0.000 3.591) 4.277 10.046 ( 0.583 0.000 -5.219) 5.251 10.141 ( 1.714 0.000 1.446) 2.243 10.153 ( -0.034 0.000 -0.675) 0.676 10.310 ( 2.796 0.000 -1.771) 3.310 10.341 ( -2.605 0.000 -3.429) 4.306 10.491 ( -0.616 0.000 -0.905) 1.094 10.495 ( -3.368 0.000 -2.026) 3.930 10.844 ( -0.585 0.000 3.902) 3.945 10.869 ( 1.859 0.000 -0.921) 2.074 10.874 ( 0.030 0.000 0.264) 0.266 10.893 ( 1.652 0.000 -1.317) 2.113 10.943 ( 5.476 0.000 -0.229) 5.481 10.981 ( -4.660 0.000 -2.529) 5.302 11.089 ( -1.107 0.000 1.808) 2.120 11.124 ( -0.928 0.000 -1.044) 1.396 11.223 ( -9.443 0.000 9.124) 13.131 11.335 ( 0.262 0.000 -0.049) 0.267 11.349 ( -0.821 0.000 2.185) 2.334 11.387 ( 2.916 0.000 -1.594) 3.323 11.636 ( 2.360 0.000 -1.487) 2.790 11.637 ( 2.711 0.000 -1.930) 3.328 11.653 ( -0.668 0.000 -1.999) 2.108 11.688 ( 3.185 0.000 -3.703) 4.884 11.948 ( -1.542 0.000 1.374) 2.065 11.955 ( -2.001 0.000 1.452) 2.472 12.100 ( 0.906 0.000 0.703) 1.147 12.146 ( 2.023 0.000 -3.029) 3.642 12.233 ( 0.409 0.000 2.530) 2.562 12.283 ( -0.450 0.000 -2.462) 2.503 12.307 ( -0.706 0.000 6.384) 6.423 12.363 ( -0.515 0.000 2.193) 2.252 12.388 ( 0.060 0.000 -0.106) 0.122 12.428 ( 0.213 0.000 -6.021) 6.025 12.576 ( 1.841 0.000 2.591) 3.178 12.599 ( -0.350 0.000 0.237) 0.423 12.641 ( -0.265 0.000 3.757) 3.767 12.694 ( 1.216 0.000 2.216) 2.528 12.719 ( -4.508 0.000 -0.020) 4.509 12.751 ( -2.535 0.000 2.095) 3.289 12.784 ( 4.149 0.000 -0.242) 4.156 12.787 ( -0.399 0.000 -0.982) 1.060 12.826 ( -3.092 0.000 1.183) 3.310 12.891 ( -2.850 0.000 2.065) 3.520 12.919 ( 4.382 0.000 -0.101) 4.383 12.930 ( 1.467 0.000 -7.583) 7.724 13.071 ( -0.201 0.000 -1.475) 1.488 13.084 ( 1.989 0.000 -1.545) 2.518 13.126 ( 3.953 0.000 1.513) 4.233 13.181 ( -1.652 0.000 -4.140) 4.457 13.284 ( -0.820 0.000 -4.049) 4.132 13.300 ( 3.488 0.000 -4.882) 6.000 13.766 ( -1.519 0.000 4.079) 4.352 13.864 ( 1.427 0.000 -5.491) 5.673 13.967 ( -7.881 0.000 3.840) 8.767 14.006 ( 2.863 0.000 0.111) 2.865 14.162 ( -6.128 0.000 5.507) 8.238 14.162 ( 1.109 0.000 5.789) 5.895 14.251 ( -5.823 0.000 7.466) 9.468 14.376 ( 4.139 0.000 -5.728) 7.067 14.387 ( -2.144 0.000 -2.228) 3.092 14.413 ( 6.279 0.000 -4.307) 7.614 14.621 ( -3.922 0.000 1.542) 4.214 14.642 ( 2.763 0.000 -0.975) 2.930 14.747 ( -5.047 0.000 3.227) 5.991 14.763 ( 1.521 0.000 0.064) 1.522 14.771 ( -2.826 0.000 -0.133) 2.829 14.818 ( 8.180 0.000 -3.028) 8.722 ======================= Grid point 91 (44/69) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 0.770 0.000 25.701) 25.713 1.620 ( 10.174 0.000 23.947) 26.018 1.740 ( 10.590 0.000 -26.034) 28.106 1.771 ( 13.062 0.000 -24.636) 27.885 2.116 ( 9.490 0.000 4.506) 10.505 2.128 ( 8.120 0.000 -9.053) 12.161 2.429 ( 3.949 0.000 -6.259) 7.401 2.486 ( 7.956 0.000 10.877) 13.476 2.592 ( 1.216 0.000 8.784) 8.868 2.597 ( 3.594 0.000 -12.738) 13.236 2.645 ( 6.265 0.000 12.286) 13.791 2.682 ( 5.007 0.000 -9.132) 10.415 2.688 ( 4.994 0.000 4.287) 6.582 2.724 ( 5.094 0.000 -0.755) 5.150 2.828 ( 10.786 0.000 33.325) 35.027 2.892 ( 14.057 0.000 -38.376) 40.870 3.204 ( -4.084 0.000 -0.013) 4.084 3.335 ( 2.163 0.000 4.351) 4.859 3.354 ( -3.985 0.000 4.622) 6.102 3.458 ( -3.764 0.000 -2.023) 4.273 3.557 ( -4.914 0.000 3.424) 5.989 3.586 ( -2.640 0.000 -1.254) 2.922 3.621 ( -1.979 0.000 -2.806) 3.433 3.632 ( -3.591 0.000 4.146) 5.485 3.676 ( 0.625 0.000 -2.426) 2.505 3.711 ( -0.789 0.000 -3.083) 3.183 3.744 ( 2.585 0.000 4.190) 4.924 3.770 ( 5.331 0.000 -0.465) 5.352 3.859 ( -0.183 0.000 2.153) 2.161 3.866 ( 2.338 0.000 5.193) 5.695 3.879 ( -2.296 0.000 -1.057) 2.527 3.901 ( -0.953 0.000 1.858) 2.088 4.006 ( -2.100 0.000 -1.139) 2.389 4.011 ( 0.401 0.000 2.217) 2.253 4.050 ( 0.121 0.000 -4.944) 4.945 4.074 ( -1.917 0.000 4.703) 5.079 4.116 ( -4.407 0.000 2.469) 5.052 4.117 ( -4.495 0.000 -1.343) 4.692 4.204 ( -2.623 0.000 -0.736) 2.724 4.232 ( 2.375 0.000 -0.464) 2.419 4.287 ( -0.301 0.000 -0.411) 0.510 4.318 ( 3.579 0.000 -6.748) 7.639 4.434 ( 0.844 0.000 1.825) 2.011 4.442 ( -6.003 0.000 0.638) 6.037 4.461 ( 4.685 0.000 -5.623) 7.319 4.530 ( -3.489 0.000 -0.462) 3.519 4.538 ( -2.189 0.000 -0.270) 2.206 4.590 ( -1.027 0.000 -0.810) 1.308 4.629 ( -4.091 0.000 -4.255) 5.903 4.646 ( -0.247 0.000 3.083) 3.092 4.680 ( -3.405 0.000 -0.200) 3.411 4.714 ( -1.976 0.000 2.340) 3.063 4.781 ( -0.744 0.000 3.331) 3.413 4.784 ( -0.285 0.000 -0.744) 0.797 4.892 ( -0.242 0.000 -3.115) 3.124 4.911 ( 0.248 0.000 2.227) 2.241 4.941 ( -3.808 0.000 0.408) 3.830 4.961 ( 0.894 0.000 -0.082) 0.898 4.967 ( 2.667 0.000 -1.089) 2.881 5.043 ( -3.849 0.000 0.863) 3.944 5.091 ( 0.628 0.000 -1.205) 1.359 5.095 ( 3.076 0.000 0.491) 3.115 5.187 ( 0.085 0.000 -0.679) 0.684 5.227 ( 1.247 0.000 -0.370) 1.301 5.290 ( 1.133 0.000 0.174) 1.146 5.312 ( -0.565 0.000 0.888) 1.053 5.447 ( -2.302 0.000 2.501) 3.400 5.489 ( -3.263 0.000 1.007) 3.415 5.538 ( 3.045 0.000 -1.305) 3.313 5.552 ( -2.214 0.000 -1.302) 2.569 5.573 ( -0.395 0.000 0.328) 0.513 5.584 ( 1.810 0.000 0.455) 1.866 5.965 ( 2.594 0.000 3.419) 4.291 5.979 ( 2.825 0.000 -3.243) 4.302 6.044 ( 0.680 0.000 2.103) 2.211 6.068 ( 1.268 0.000 -1.539) 1.994 6.499 ( -1.787 0.000 1.012) 2.054 6.502 ( -1.241 0.000 -0.481) 1.331 6.586 ( -8.374 0.000 1.714) 8.548 6.806 ( -0.990 0.000 0.240) 1.019 6.855 ( -4.276 0.000 2.993) 5.220 6.941 ( -2.279 0.000 -4.486) 5.031 6.978 ( 0.561 0.000 3.982) 4.022 7.053 ( 4.374 0.000 -4.127) 6.014 7.227 ( -2.585 0.000 -0.436) 2.622 7.294 ( -2.051 0.000 -0.817) 2.208 7.375 ( 3.395 0.000 0.742) 3.475 7.456 ( 5.432 0.000 -0.484) 5.453 7.545 ( 2.572 0.000 -0.135) 2.575 7.553 ( 1.619 0.000 -0.259) 1.640 7.693 ( -3.886 0.000 3.217) 5.045 7.741 ( -2.439 0.000 -2.993) 3.861 7.754 ( 0.299 0.000 3.160) 3.174 7.797 ( 2.457 0.000 -1.560) 2.910 8.123 ( -0.479 0.000 -0.886) 1.007 8.135 ( 0.697 0.000 1.879) 2.004 8.219 ( -3.579 0.000 1.043) 3.728 8.277 ( -2.367 0.000 1.500) 2.802 8.308 ( -2.834 0.000 -0.332) 2.854 8.416 ( -2.262 0.000 -3.364) 4.054 8.439 ( -9.578 0.000 -1.336) 9.671 8.543 ( -3.674 0.000 2.278) 4.323 8.559 ( -7.906 0.000 1.654) 8.077 8.562 ( -1.157 0.000 -1.196) 1.664 8.647 ( -1.035 0.000 -0.309) 1.080 8.764 ( 4.154 0.000 -2.886) 5.058 8.820 ( 3.670 0.000 1.686) 4.039 8.864 ( 6.432 0.000 -2.607) 6.941 8.993 ( 0.589 0.000 2.589) 2.656 9.011 ( -2.291 0.000 3.027) 3.796 9.138 ( -2.009 0.000 -4.505) 4.932 9.154 ( -1.799 0.000 -2.874) 3.390 9.182 ( -3.202 0.000 2.948) 4.352 9.264 ( -3.240 0.000 -0.427) 3.268 9.276 ( -2.499 0.000 -0.760) 2.612 9.350 ( -2.577 0.000 4.012) 4.768 9.441 ( -9.789 0.000 -5.726) 11.341 9.492 ( -2.404 0.000 0.994) 2.601 9.693 ( 1.957 0.000 0.036) 1.957 9.720 ( 1.372 0.000 -1.456) 2.001 9.775 ( -0.201 0.000 3.358) 3.364 9.775 ( -3.264 0.000 0.768) 3.353 9.939 ( 2.207 0.000 1.623) 2.740 10.032 ( 3.979 0.000 -0.749) 4.049 10.044 ( 18.424 0.000 -1.079) 18.455 10.045 ( 6.453 0.000 -4.053) 7.620 10.175 ( 2.935 0.000 -1.052) 3.117 10.190 ( 7.963 0.000 -2.252) 8.276 10.291 ( -0.032 0.000 -1.255) 1.255 10.383 ( 6.339 0.000 1.289) 6.469 10.508 ( 4.133 0.000 3.315) 5.298 10.561 ( 6.296 0.000 2.157) 6.655 10.835 ( -2.551 0.000 0.674) 2.638 10.836 ( -7.303 0.000 -1.545) 7.465 10.878 ( 1.226 0.000 -0.676) 1.400 10.893 ( -0.612 0.000 -2.969) 3.031 10.899 ( 2.603 0.000 -1.213) 2.872 11.028 ( 1.610 0.000 -0.294) 1.637 11.089 ( -2.958 0.000 4.552) 5.429 11.107 ( -0.143 0.000 3.215) 3.219 11.151 ( -5.248 0.000 4.874) 7.162 11.324 ( -0.565 0.000 -0.326) 0.653 11.352 ( -0.597 0.000 2.231) 2.309 11.384 ( -3.124 0.000 1.679) 3.546 11.657 ( 2.637 0.000 -1.722) 3.149 11.662 ( 2.806 0.000 -3.808) 4.730 11.689 ( 6.903 0.000 -6.389) 9.406 11.732 ( 4.600 0.000 -1.867) 4.965 11.953 ( 0.019 0.000 2.742) 2.742 11.953 ( -0.879 0.000 3.402) 3.514 12.114 ( 0.851 0.000 -0.951) 1.276 12.142 ( 0.917 0.000 -3.875) 3.982 12.260 ( 0.370 0.000 -2.627) 2.653 12.265 ( 0.351 0.000 3.296) 3.314 12.343 ( -3.279 0.000 0.523) 3.320 12.354 ( -2.619 0.000 -0.756) 2.726 12.365 ( 1.357 0.000 5.317) 5.487 12.385 ( -0.352 0.000 -3.484) 3.501 12.582 ( -1.924 0.000 -0.811) 2.088 12.614 ( -6.701 0.000 2.798) 7.261 12.627 ( 1.055 0.000 0.883) 1.376 12.654 ( -0.056 0.000 -2.085) 2.086 12.666 ( -5.733 0.000 -1.699) 5.980 12.671 ( -6.102 0.000 3.316) 6.945 12.794 ( 3.439 0.000 1.299) 3.676 12.808 ( -3.950 0.000 0.769) 4.025 12.849 ( -0.121 0.000 4.057) 4.059 12.876 ( 1.344 0.000 -2.136) 2.524 12.900 ( 2.440 0.000 -3.539) 4.299 12.978 ( 4.086 0.000 -3.268) 5.233 13.059 ( -0.615 0.000 0.762) 0.979 13.108 ( -1.551 0.000 -5.177) 5.404 13.117 ( 2.714 0.000 -0.742) 2.814 13.199 ( 2.470 0.000 -0.168) 2.476 13.251 ( 1.395 0.000 -4.342) 4.561 13.338 ( 3.905 0.000 -2.367) 4.566 13.773 ( -2.672 0.000 5.302) 5.937 13.844 ( 1.275 0.000 -4.740) 4.909 13.879 ( -6.722 0.000 6.129) 9.096 14.054 ( 1.843 0.000 0.484) 1.906 14.086 ( -5.873 0.000 4.223) 7.233 14.174 ( -6.591 0.000 5.695) 8.711 14.208 ( -5.747 0.000 7.281) 9.276 14.388 ( 5.464 0.000 -3.409) 6.441 14.403 ( -1.962 0.000 -0.770) 2.108 14.459 ( 3.940 0.000 -5.196) 6.520 14.515 ( -4.735 0.000 2.145) 5.198 14.640 ( -1.154 0.000 -1.688) 2.045 14.713 ( -2.864 0.000 0.836) 2.984 14.752 ( 1.341 0.000 -0.384) 1.395 14.801 ( 2.151 0.000 1.265) 2.495 14.942 ( 8.745 0.000 -4.071) 9.646 ======================= Grid point 92 (45/69) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 5.337 0.000 3.356) 6.304 1.788 ( 17.328 0.000 -23.111) 28.886 1.814 ( 14.914 0.000 -7.649) 16.761 2.090 ( 16.874 0.000 18.424) 24.984 2.213 ( 9.226 0.000 -7.570) 11.934 2.322 ( 9.910 0.000 2.636) 10.254 2.517 ( 10.908 0.000 -5.387) 12.166 2.582 ( 0.917 0.000 -1.266) 1.564 2.593 ( 7.870 0.000 -10.654) 13.246 2.705 ( 7.455 0.000 -7.066) 10.272 2.755 ( 7.129 0.000 -2.911) 7.701 2.794 ( 9.940 0.000 13.167) 16.497 2.892 ( 8.500 0.000 9.326) 12.619 2.930 ( 14.845 0.000 -5.896) 15.973 2.969 ( 19.059 0.000 -9.538) 21.313 3.163 ( 1.862 0.000 5.143) 5.470 3.281 ( 1.742 0.000 5.361) 5.637 3.330 ( -5.597 0.000 0.514) 5.620 3.351 ( 1.551 0.000 9.362) 9.490 3.410 ( 1.783 0.000 -0.855) 1.978 3.506 ( -3.311 0.000 0.045) 3.312 3.530 ( -3.301 0.000 2.902) 4.395 3.554 ( -1.219 0.000 -2.708) 2.970 3.600 ( -4.500 0.000 3.987) 6.012 3.644 ( -0.016 0.000 -0.833) 0.833 3.684 ( -0.194 0.000 2.521) 2.528 3.794 ( -1.826 0.000 -1.483) 2.352 3.801 ( -0.560 0.000 2.641) 2.700 3.859 ( 1.474 0.000 -1.314) 1.975 3.876 ( -2.545 0.000 0.254) 2.557 3.884 ( -3.424 0.000 3.913) 5.199 3.951 ( -0.248 0.000 5.025) 5.031 3.951 ( -5.403 0.000 -0.612) 5.438 3.954 ( -1.487 0.000 -1.012) 1.799 4.020 ( -3.234 0.000 1.032) 3.395 4.022 ( -3.305 0.000 -0.982) 3.448 4.043 ( 1.564 0.000 -4.576) 4.836 4.097 ( -2.798 0.000 3.774) 4.698 4.169 ( -0.399 0.000 0.937) 1.018 4.265 ( -2.716 0.000 1.514) 3.109 4.273 ( 4.608 0.000 -6.662) 8.101 4.324 ( 2.214 0.000 -6.181) 6.565 4.356 ( -5.616 0.000 3.105) 6.417 4.436 ( -2.279 0.000 -4.405) 4.960 4.440 ( -2.826 0.000 1.722) 3.309 4.493 ( -1.065 0.000 -2.858) 3.050 4.496 ( 0.620 0.000 2.513) 2.588 4.543 ( 0.832 0.000 -4.311) 4.391 4.573 ( 0.995 0.000 -3.461) 3.601 4.643 ( -2.353 0.000 4.581) 5.150 4.666 ( -2.418 0.000 2.221) 3.283 4.700 ( -3.002 0.000 3.916) 4.935 4.742 ( -5.248 0.000 1.558) 5.474 4.762 ( -0.826 0.000 -1.432) 1.653 4.882 ( 1.826 0.000 -3.370) 3.833 4.894 ( -2.062 0.000 2.012) 2.881 4.930 ( 1.250 0.000 0.002) 1.250 4.946 ( -4.208 0.000 -1.719) 4.546 4.994 ( 2.625 0.000 -0.130) 2.629 5.026 ( 0.506 0.000 3.487) 3.523 5.113 ( 1.868 0.000 1.091) 2.163 5.117 ( -0.356 0.000 -0.330) 0.486 5.200 ( 1.824 0.000 -0.406) 1.869 5.210 ( -3.359 0.000 -0.962) 3.494 5.266 ( -4.314 0.000 0.549) 4.349 5.328 ( 2.376 0.000 0.019) 2.376 5.425 ( -2.081 0.000 1.603) 2.627 5.436 ( -2.835 0.000 -0.557) 2.889 5.507 ( -1.848 0.000 -0.130) 1.853 5.566 ( -0.651 0.000 0.559) 0.859 5.587 ( 3.743 0.000 -2.380) 4.436 5.607 ( 0.477 0.000 -0.171) 0.507 6.018 ( 4.259 0.000 -2.522) 4.950 6.052 ( 4.183 0.000 2.668) 4.961 6.083 ( 1.822 0.000 -1.045) 2.100 6.096 ( 2.648 0.000 2.895) 3.924 6.451 ( -5.585 0.000 1.950) 5.916 6.471 ( -1.921 0.000 -0.218) 1.933 6.482 ( -4.954 0.000 1.325) 5.128 6.732 ( -5.188 0.000 -1.642) 5.441 6.796 ( -5.411 0.000 1.710) 5.675 6.850 ( -3.137 0.000 -5.058) 5.952 7.009 ( -0.485 0.000 3.124) 3.161 7.079 ( 3.129 0.000 -4.476) 5.461 7.212 ( 0.146 0.000 2.608) 2.612 7.248 ( -2.969 0.000 0.489) 3.009 7.443 ( 3.611 0.000 0.638) 3.667 7.541 ( 2.627 0.000 1.185) 2.882 7.579 ( 3.139 0.000 -1.771) 3.604 7.584 ( 1.281 0.000 -2.206) 2.551 7.631 ( -6.242 0.000 2.133) 6.596 7.708 ( 1.299 0.000 1.090) 1.696 7.788 ( 1.307 0.000 0.555) 1.420 7.822 ( 2.442 0.000 -2.999) 3.868 8.094 ( -2.053 0.000 -1.000) 2.284 8.163 ( -8.946 0.000 -0.292) 8.950 8.185 ( 1.473 0.000 4.364) 4.605 8.239 ( 1.232 0.000 2.319) 2.626 8.255 ( -1.228 0.000 1.481) 1.924 8.290 ( -7.161 0.000 -1.615) 7.341 8.327 ( -1.428 0.000 -0.156) 1.436 8.454 ( -4.694 0.000 1.295) 4.870 8.555 ( 1.361 0.000 -0.324) 1.399 8.555 ( -0.220 0.000 1.913) 1.926 8.662 ( 1.982 0.000 1.523) 2.500 8.774 ( -0.418 0.000 -4.102) 4.123 8.872 ( -4.349 0.000 1.304) 4.540 8.908 ( -4.627 0.000 0.104) 4.628 8.914 ( 0.076 0.000 -1.345) 1.347 9.049 ( -8.065 0.000 0.476) 8.079 9.051 ( -12.171 0.000 -1.092) 12.220 9.075 ( 2.256 0.000 2.406) 3.298 9.124 ( 1.209 0.000 -5.379) 5.514 9.127 ( 3.486 0.000 -0.480) 3.519 9.235 ( -0.856 0.000 -2.517) 2.659 9.366 ( -2.582 0.000 3.057) 4.002 9.405 ( 3.800 0.000 -1.535) 4.099 9.519 ( 3.496 0.000 4.780) 5.922 9.560 ( -7.944 0.000 -7.276) 10.773 9.674 ( -4.406 0.000 0.376) 4.422 9.794 ( 2.694 0.000 0.172) 2.699 9.867 ( 4.127 0.000 4.893) 6.402 9.958 ( -0.553 0.000 3.271) 3.318 10.044 ( 0.238 0.000 -2.425) 2.437 10.144 ( 1.494 0.000 -0.711) 1.654 10.163 ( 3.994 0.000 0.331) 4.007 10.243 ( 3.338 0.000 -3.957) 5.177 10.337 ( 8.572 0.000 -0.159) 8.574 10.436 ( 14.258 0.000 0.127) 14.258 10.574 ( 12.483 0.000 0.173) 12.485 10.619 ( 1.724 0.000 2.848) 3.330 10.646 ( -0.098 0.000 -1.701) 1.703 10.744 ( 0.964 0.000 1.158) 1.507 10.808 ( 0.610 0.000 1.538) 1.655 10.851 ( -1.404 0.000 -2.392) 2.773 10.891 ( -0.018 0.000 0.593) 0.593 10.951 ( 3.562 0.000 1.734) 3.962 10.986 ( -3.036 0.000 -0.020) 3.036 11.110 ( -0.459 0.000 0.937) 1.043 11.122 ( -0.780 0.000 1.545) 1.731 11.140 ( -0.384 0.000 4.544) 4.561 11.289 ( -4.792 0.000 0.628) 4.833 11.371 ( 2.591 0.000 0.253) 2.603 11.379 ( 1.667 0.000 2.188) 2.751 11.680 ( 3.684 0.000 -4.445) 5.774 11.699 ( 3.181 0.000 -0.843) 3.290 11.753 ( 7.651 0.000 -7.726) 10.873 11.798 ( 3.508 0.000 0.829) 3.604 11.973 ( -1.140 0.000 4.890) 5.021 11.994 ( 1.044 0.000 3.652) 3.798 12.114 ( 0.772 0.000 -2.272) 2.399 12.116 ( 0.660 0.000 -4.736) 4.782 12.227 ( -3.413 0.000 -1.216) 3.623 12.281 ( -3.571 0.000 0.500) 3.606 12.292 ( 0.252 0.000 -2.653) 2.665 12.307 ( -0.679 0.000 1.549) 1.691 12.354 ( -0.170 0.000 -2.625) 2.630 12.435 ( -1.329 0.000 5.519) 5.676 12.485 ( -4.870 0.000 0.105) 4.871 12.514 ( -5.323 0.000 0.532) 5.350 12.533 ( -9.985 0.000 0.238) 9.988 12.614 ( -4.308 0.000 3.678) 5.665 12.622 ( 2.194 0.000 -3.639) 4.249 12.694 ( 3.165 0.000 -1.689) 3.588 12.747 ( -1.518 0.000 -0.278) 1.543 12.819 ( -0.946 0.000 -0.255) 0.980 12.861 ( 2.301 0.000 -5.108) 5.602 12.882 ( -1.309 0.000 2.041) 2.424 12.933 ( 2.256 0.000 -1.619) 2.777 13.013 ( 4.464 0.000 -4.881) 6.614 13.062 ( 0.144 0.000 0.334) 0.363 13.069 ( -0.160 0.000 2.402) 2.407 13.153 ( 0.688 0.000 0.327) 0.762 13.202 ( 0.175 0.000 -2.068) 2.076 13.247 ( 1.724 0.000 -2.903) 3.376 13.376 ( 2.056 0.000 -1.403) 2.490 13.738 ( -7.229 0.000 6.418) 9.667 13.818 ( 0.577 0.000 -5.436) 5.466 13.860 ( -1.387 0.000 4.366) 4.581 14.035 ( -2.259 0.000 1.872) 2.934 14.070 ( -9.521 0.000 3.887) 10.283 14.079 ( -1.725 0.000 1.431) 2.242 14.183 ( -3.800 0.000 7.108) 8.060 14.271 ( -8.430 0.000 0.311) 8.436 14.466 ( 4.903 0.000 -2.631) 5.565 14.478 ( 1.651 0.000 -0.164) 1.659 14.518 ( 0.999 0.000 -2.741) 2.918 14.595 ( -0.901 0.000 -2.691) 2.838 14.706 ( -0.595 0.000 6.347) 6.374 14.771 ( 2.422 0.000 -3.311) 4.102 14.847 ( 1.775 0.000 0.759) 1.930 15.038 ( 6.532 0.000 -4.699) 8.047 ======================= Grid point 93 (46/69) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 5.702 0.000 3.960) 6.942 1.919 ( 18.260 0.000 -19.181) 26.483 2.038 ( 17.970 0.000 -7.765) 19.576 2.298 ( 6.273 0.000 -3.267) 7.073 2.493 ( 5.587 0.000 2.928) 6.308 2.515 ( 14.267 0.000 10.967) 17.995 2.639 ( 8.430 0.000 2.280) 8.733 2.658 ( 9.715 0.000 -6.262) 11.558 2.686 ( 12.313 0.000 -5.389) 13.441 2.802 ( 8.350 0.000 -4.286) 9.385 2.874 ( 5.685 0.000 1.762) 5.952 2.994 ( -2.344 0.000 0.930) 2.521 3.073 ( 4.523 0.000 7.804) 9.020 3.104 ( 7.555 0.000 -5.923) 9.600 3.197 ( 2.197 0.000 -3.372) 4.024 3.205 ( 6.619 0.000 3.888) 7.676 3.225 ( -4.751 0.000 1.945) 5.134 3.326 ( 5.242 0.000 -0.697) 5.288 3.366 ( 1.880 0.000 -1.908) 2.679 3.395 ( -1.033 0.000 -2.557) 2.758 3.479 ( -2.474 0.000 7.802) 8.185 3.529 ( -2.090 0.000 -3.344) 3.944 3.545 ( 5.816 0.000 -1.565) 6.023 3.565 ( -1.061 0.000 1.548) 1.877 3.605 ( -2.559 0.000 1.939) 3.211 3.705 ( -8.353 0.000 -0.800) 8.391 3.748 ( -4.915 0.000 -0.266) 4.923 3.769 ( -1.702 0.000 -2.789) 3.267 3.773 ( -2.890 0.000 -0.504) 2.934 3.851 ( -6.167 0.000 -1.535) 6.355 3.895 ( -3.588 0.000 3.110) 4.748 3.914 ( -1.457 0.000 5.238) 5.437 3.926 ( 2.283 0.000 8.005) 8.324 3.977 ( 2.481 0.000 -4.656) 5.276 3.997 ( 3.244 0.000 4.969) 5.934 4.002 ( 1.229 0.000 -5.545) 5.680 4.064 ( 0.359 0.000 7.821) 7.829 4.066 ( -1.530 0.000 0.228) 1.547 4.192 ( 0.516 0.000 1.103) 1.218 4.237 ( -1.392 0.000 0.185) 1.404 4.240 ( -1.772 0.000 -5.484) 5.763 4.308 ( -3.157 0.000 2.185) 3.839 4.334 ( 1.977 0.000 -3.482) 4.004 4.364 ( 0.227 0.000 -5.462) 5.467 4.427 ( 4.639 0.000 -5.289) 7.035 4.460 ( -1.231 0.000 3.990) 4.175 4.517 ( -0.162 0.000 -4.427) 4.430 4.543 ( -0.374 0.000 -1.020) 1.086 4.553 ( -0.978 0.000 -0.261) 1.012 4.613 ( -8.432 0.000 2.149) 8.701 4.626 ( -3.193 0.000 1.967) 3.750 4.657 ( -1.500 0.000 2.202) 2.665 4.722 ( 1.260 0.000 1.471) 1.937 4.731 ( 0.601 0.000 -1.006) 1.171 4.871 ( -1.212 0.000 -0.913) 1.517 4.886 ( -1.700 0.000 0.618) 1.808 4.918 ( 2.844 0.000 1.699) 3.313 4.961 ( 1.964 0.000 -0.104) 1.967 5.032 ( -4.301 0.000 4.088) 5.934 5.048 ( 3.599 0.000 -0.515) 3.636 5.115 ( -4.906 0.000 -0.145) 4.908 5.115 ( -0.436 0.000 2.433) 2.472 5.164 ( -0.614 0.000 1.960) 2.054 5.181 ( -4.548 0.000 1.791) 4.888 5.223 ( 1.417 0.000 -0.877) 1.667 5.350 ( 0.805 0.000 -2.117) 2.265 5.396 ( -0.760 0.000 -1.159) 1.386 5.407 ( -1.288 0.000 1.037) 1.654 5.490 ( -0.836 0.000 0.875) 1.210 5.549 ( -1.078 0.000 -0.647) 1.258 5.599 ( -0.637 0.000 -0.540) 0.836 5.624 ( 2.820 0.000 -2.752) 3.940 6.074 ( 4.094 0.000 -1.300) 4.295 6.116 ( 2.808 0.000 -0.982) 2.975 6.144 ( 3.428 0.000 1.377) 3.694 6.174 ( 3.597 0.000 1.722) 3.988 6.378 ( -4.286 0.000 2.998) 5.231 6.408 ( -5.477 0.000 1.947) 5.812 6.437 ( -1.266 0.000 -0.536) 1.375 6.625 ( -3.966 0.000 -3.852) 5.529 6.711 ( -5.981 0.000 1.963) 6.295 6.756 ( -2.334 0.000 -5.021) 5.537 7.028 ( -0.504 0.000 3.917) 3.949 7.101 ( 3.378 0.000 -2.912) 4.460 7.216 ( -1.448 0.000 1.339) 1.973 7.265 ( 2.550 0.000 3.452) 4.292 7.486 ( -8.678 0.000 0.638) 8.702 7.503 ( 2.350 0.000 0.821) 2.489 7.557 ( -1.636 0.000 -1.280) 2.077 7.568 ( -1.191 0.000 0.647) 1.356 7.637 ( 3.418 0.000 -2.685) 4.347 7.743 ( -0.280 0.000 -1.385) 1.413 7.807 ( 1.915 0.000 -1.672) 2.542 7.858 ( 6.359 0.000 -2.875) 6.979 8.041 ( -2.394 0.000 -1.801) 2.996 8.075 ( -2.037 0.000 3.454) 4.010 8.168 ( -3.708 0.000 -0.319) 3.722 8.179 ( -3.478 0.000 -1.379) 3.741 8.265 ( -0.040 0.000 4.824) 4.824 8.315 ( 0.894 0.000 -1.700) 1.921 8.360 ( 3.799 0.000 3.945) 5.476 8.396 ( -3.043 0.000 -0.450) 3.076 8.566 ( 0.452 0.000 -1.428) 1.498 8.588 ( -0.086 0.000 4.962) 4.963 8.648 ( -8.437 0.000 -2.124) 8.701 8.703 ( -3.465 0.000 -1.966) 3.983 8.747 ( -0.042 0.000 5.576) 5.576 8.841 ( -5.232 0.000 1.326) 5.397 8.876 ( -5.266 0.000 3.081) 6.101 8.929 ( -8.165 0.000 0.425) 8.176 8.957 ( 1.806 0.000 -3.924) 4.319 9.078 ( 0.114 0.000 -2.502) 2.505 9.103 ( 3.716 0.000 -7.131) 8.041 9.198 ( -1.207 0.000 -2.199) 2.509 9.256 ( 4.102 0.000 2.913) 5.031 9.302 ( -2.973 0.000 -4.461) 5.361 9.415 ( -1.606 0.000 -0.964) 1.873 9.444 ( 1.779 0.000 -2.019) 2.691 9.618 ( -1.902 0.000 2.510) 3.149 9.631 ( 1.475 0.000 4.203) 4.454 9.824 ( 0.509 0.000 -0.258) 0.571 9.970 ( 2.923 0.000 3.730) 4.739 9.999 ( -1.364 0.000 6.438) 6.581 10.044 ( 2.196 0.000 -1.199) 2.502 10.161 ( 0.946 0.000 -1.360) 1.657 10.189 ( 4.180 0.000 0.003) 4.180 10.303 ( 2.581 0.000 2.561) 3.636 10.418 ( 0.683 0.000 -0.151) 0.700 10.553 ( -2.066 0.000 0.074) 2.067 10.592 ( -3.591 0.000 1.136) 3.767 10.665 ( 10.665 0.000 -0.913) 10.704 10.773 ( -1.021 0.000 0.085) 1.025 10.802 ( 6.539 0.000 -0.773) 6.585 10.832 ( -2.629 0.000 -0.524) 2.680 10.834 ( 4.792 0.000 -2.301) 5.316 10.928 ( 4.091 0.000 2.976) 5.059 10.966 ( 3.278 0.000 -4.682) 5.716 11.040 ( 1.977 0.000 4.545) 4.957 11.099 ( -2.008 0.000 2.175) 2.961 11.116 ( 0.810 0.000 -0.844) 1.169 11.183 ( 0.394 0.000 4.368) 4.386 11.210 ( -4.183 0.000 1.272) 4.372 11.444 ( 4.057 0.000 0.302) 4.069 11.446 ( 6.570 0.000 -3.411) 7.403 11.710 ( 3.799 0.000 -3.784) 5.362 11.745 ( 2.838 0.000 -0.239) 2.848 11.835 ( 8.761 0.000 -5.465) 10.326 11.883 ( 3.973 0.000 4.084) 5.698 11.992 ( -1.910 0.000 5.336) 5.667 12.029 ( -1.141 0.000 2.782) 3.007 12.093 ( 2.094 0.000 -5.184) 5.591 12.100 ( -0.398 0.000 -1.701) 1.747 12.138 ( -5.118 0.000 -0.485) 5.141 12.170 ( -6.927 0.000 -2.830) 7.483 12.291 ( -0.315 0.000 -1.867) 1.893 12.312 ( -2.325 0.000 3.159) 3.922 12.330 ( -8.104 0.000 2.197) 8.397 12.339 ( 2.820 0.000 -5.322) 6.023 12.349 ( -9.631 0.000 0.875) 9.670 12.449 ( -1.229 0.000 -2.005) 2.352 12.540 ( -7.089 0.000 3.759) 8.024 12.543 ( 3.854 0.000 2.082) 4.380 12.648 ( 3.153 0.000 -1.931) 3.697 12.719 ( 0.124 0.000 1.469) 1.475 12.760 ( 3.180 0.000 -2.681) 4.160 12.779 ( -2.136 0.000 -1.660) 2.705 12.828 ( -2.893 0.000 -2.583) 3.878 12.881 ( 3.952 0.000 -3.860) 5.524 12.951 ( 1.981 0.000 -2.400) 3.112 13.033 ( 0.117 0.000 -1.390) 1.394 13.103 ( -1.662 0.000 -4.875) 5.150 13.104 ( 1.467 0.000 4.230) 4.477 13.119 ( 2.883 0.000 3.732) 4.716 13.228 ( 2.316 0.000 -0.036) 2.316 13.277 ( 2.790 0.000 2.714) 3.892 13.385 ( 0.124 0.000 -0.344) 0.366 13.665 ( -6.064 0.000 5.079) 7.910 13.767 ( -0.466 0.000 -6.513) 6.530 13.853 ( -3.583 0.000 -0.122) 3.585 13.940 ( -7.505 0.000 3.672) 8.355 13.946 ( -8.098 0.000 -0.937) 8.153 14.088 ( -0.236 0.000 5.192) 5.197 14.159 ( -1.931 0.000 -6.995) 7.257 14.199 ( -2.594 0.000 7.750) 8.172 14.482 ( 0.589 0.000 -2.033) 2.117 14.490 ( -1.535 0.000 -0.426) 1.593 14.532 ( 1.868 0.000 5.477) 5.787 14.592 ( 2.713 0.000 -3.089) 4.112 14.772 ( 2.322 0.000 -4.497) 5.061 14.786 ( 1.234 0.000 7.252) 7.356 14.867 ( 0.493 0.000 -0.999) 1.114 15.085 ( 4.033 0.000 -5.538) 6.851 ======================= Grid point 94 (47/69) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -3.446 0.000 9.018) 9.654 2.051 ( 12.641 0.000 -13.958) 18.831 2.309 ( 21.528 0.000 -8.621) 23.190 2.397 ( 6.806 0.000 0.754) 6.847 2.517 ( -3.868 0.000 1.136) 4.032 2.658 ( -18.296 0.000 -5.160) 19.010 2.716 ( 6.043 0.000 0.952) 6.117 2.789 ( 9.064 0.000 -3.853) 9.849 2.886 ( 10.339 0.000 0.096) 10.339 2.922 ( 8.996 0.000 4.556) 10.084 2.930 ( 1.858 0.000 -0.452) 1.912 2.981 ( 7.295 0.000 -0.190) 7.298 3.140 ( 0.353 0.000 -2.810) 2.832 3.146 ( 0.437 0.000 1.361) 1.430 3.157 ( -3.965 0.000 3.302) 5.160 3.220 ( -0.044 0.000 -0.941) 0.942 3.239 ( -1.723 0.000 -0.294) 1.748 3.301 ( -10.392 0.000 0.696) 10.415 3.313 ( -2.132 0.000 0.829) 2.287 3.367 ( 0.470 0.000 -3.733) 3.762 3.515 ( -3.689 0.000 3.311) 4.957 3.517 ( 3.909 0.000 -0.802) 3.990 3.577 ( -3.996 0.000 1.307) 4.204 3.580 ( -3.708 0.000 3.123) 4.848 3.617 ( -1.200 0.000 -0.018) 1.200 3.672 ( -2.086 0.000 1.040) 2.331 3.694 ( 8.697 0.000 9.367) 12.782 3.696 ( -2.917 0.000 -2.248) 3.683 3.735 ( -4.644 0.000 1.445) 4.864 3.851 ( 11.089 0.000 -2.229) 11.311 3.887 ( -1.506 0.000 1.711) 2.279 3.929 ( -2.111 0.000 0.533) 2.177 3.955 ( 5.096 0.000 -1.509) 5.314 3.963 ( -2.476 0.000 0.204) 2.485 4.001 ( 4.454 0.000 -4.593) 6.398 4.066 ( 0.332 0.000 0.386) 0.510 4.096 ( 0.004 0.000 1.239) 1.239 4.136 ( -6.426 0.000 5.132) 8.224 4.147 ( -2.132 0.000 -4.036) 4.564 4.173 ( 1.948 0.000 -5.149) 5.505 4.217 ( 0.689 0.000 0.386) 0.790 4.277 ( -0.804 0.000 2.109) 2.257 4.329 ( 0.318 0.000 -3.344) 3.359 4.357 ( 2.419 0.000 -2.011) 3.145 4.372 ( -4.522 0.000 -2.618) 5.225 4.425 ( -4.677 0.000 3.798) 6.025 4.466 ( 0.456 0.000 -8.050) 8.063 4.520 ( -2.963 0.000 1.808) 3.471 4.554 ( -1.658 0.000 -0.447) 1.718 4.578 ( -2.598 0.000 -5.333) 5.932 4.627 ( 5.520 0.000 8.958) 10.522 4.667 ( 8.919 0.000 -1.272) 9.009 4.784 ( 0.876 0.000 3.605) 3.709 4.797 ( -1.334 0.000 2.807) 3.108 4.825 ( 2.518 0.000 -3.152) 4.035 4.869 ( -2.277 0.000 1.532) 2.745 4.950 ( -5.139 0.000 1.661) 5.401 4.951 ( -1.634 0.000 0.377) 1.677 4.993 ( -1.157 0.000 1.560) 1.942 5.042 ( -2.155 0.000 -1.107) 2.422 5.110 ( 3.382 0.000 3.820) 5.101 5.128 ( -0.633 0.000 2.472) 2.552 5.134 ( 1.251 0.000 -0.137) 1.258 5.207 ( -0.194 0.000 3.509) 3.515 5.237 ( 0.730 0.000 -0.768) 1.059 5.313 ( -2.015 0.000 -3.475) 4.017 5.385 ( 0.085 0.000 -0.410) 0.419 5.394 ( -1.098 0.000 0.475) 1.196 5.486 ( 0.123 0.000 -0.013) 0.124 5.522 ( -0.832 0.000 -1.457) 1.678 5.589 ( -0.687 0.000 0.829) 1.076 5.634 ( 1.087 0.000 -2.705) 2.916 6.139 ( 3.664 0.000 -0.202) 3.669 6.149 ( 1.709 0.000 -0.266) 1.729 6.170 ( -0.245 0.000 -0.849) 0.884 6.216 ( -1.249 0.000 -0.559) 1.369 6.360 ( -1.126 0.000 3.292) 3.479 6.375 ( -0.450 0.000 5.210) 5.229 6.426 ( 0.880 0.000 -1.595) 1.822 6.533 ( -2.410 0.000 -4.374) 4.994 6.637 ( -4.021 0.000 2.173) 4.571 6.694 ( 0.296 0.000 -4.442) 4.452 7.060 ( -0.365 0.000 4.498) 4.513 7.138 ( 3.190 0.000 -2.685) 4.169 7.224 ( 0.516 0.000 2.477) 2.531 7.332 ( -1.395 0.000 -1.699) 2.198 7.374 ( -0.955 0.000 5.214) 5.301 7.512 ( -1.187 0.000 -1.699) 2.073 7.538 ( -0.240 0.000 1.152) 1.176 7.546 ( -1.880 0.000 0.973) 2.117 7.638 ( 0.604 0.000 -3.559) 3.610 7.685 ( -1.577 0.000 -5.157) 5.393 7.840 ( 2.488 0.000 0.160) 2.493 7.955 ( 1.794 0.000 -3.637) 4.055 7.993 ( 2.540 0.000 0.313) 2.559 8.106 ( 0.551 0.000 1.310) 1.422 8.126 ( -0.967 0.000 -0.364) 1.033 8.163 ( 2.650 0.000 3.872) 4.692 8.215 ( -6.410 0.000 -3.383) 7.247 8.323 ( -3.718 0.000 -0.860) 3.817 8.332 ( -1.255 0.000 3.558) 3.772 8.427 ( 2.347 0.000 -2.143) 3.178 8.538 ( 2.108 0.000 1.596) 2.644 8.605 ( -1.519 0.000 2.918) 3.289 8.608 ( 1.624 0.000 -0.018) 1.624 8.684 ( 0.198 0.000 3.381) 3.387 8.713 ( -11.909 0.000 0.062) 11.909 8.776 ( -3.043 0.000 -0.020) 3.043 8.806 ( -2.521 0.000 6.703) 7.162 8.883 ( 3.304 0.000 1.369) 3.576 8.966 ( 2.617 0.000 -5.387) 5.990 9.035 ( -0.991 0.000 -5.085) 5.181 9.138 ( 4.603 0.000 -3.047) 5.520 9.155 ( -2.815 0.000 1.514) 3.196 9.234 ( 0.756 0.000 -6.016) 6.064 9.239 ( -5.099 0.000 -2.527) 5.691 9.442 ( 1.924 0.000 2.226) 2.942 9.457 ( 2.530 0.000 -1.574) 2.980 9.656 ( 0.460 0.000 1.429) 1.501 9.681 ( 3.278 0.000 4.825) 5.833 9.807 ( -1.408 0.000 -0.887) 1.664 9.945 ( -5.131 0.000 -2.457) 5.689 10.028 ( -0.203 0.000 3.918) 3.923 10.082 ( 2.305 0.000 -0.892) 2.472 10.198 ( -0.980 0.000 4.527) 4.632 10.262 ( 3.110 0.000 -0.688) 3.185 10.393 ( 2.010 0.000 6.946) 7.231 10.416 ( 3.213 0.000 -1.115) 3.401 10.566 ( -0.658 0.000 1.982) 2.089 10.571 ( -0.611 0.000 4.883) 4.921 10.715 ( -3.227 0.000 -1.465) 3.543 10.740 ( -1.872 0.000 -1.635) 2.485 10.792 ( 1.937 0.000 -1.424) 2.404 10.838 ( -1.297 0.000 1.137) 1.725 10.905 ( 3.116 0.000 -2.064) 3.737 10.981 ( 2.697 0.000 -4.308) 5.082 11.031 ( 4.965 0.000 0.278) 4.973 11.065 ( -1.926 0.000 2.420) 3.093 11.091 ( -0.178 0.000 1.120) 1.134 11.136 ( 2.379 0.000 -2.560) 3.495 11.210 ( 2.978 0.000 0.877) 3.105 11.217 ( -0.738 0.000 3.513) 3.590 11.490 ( 0.421 0.000 -0.953) 1.042 11.504 ( 2.894 0.000 -3.732) 4.722 11.763 ( 5.506 0.000 -1.095) 5.614 11.804 ( 4.001 0.000 0.062) 4.002 11.937 ( 2.440 0.000 -2.324) 3.369 11.941 ( -4.986 0.000 0.844) 5.057 11.980 ( -1.339 0.000 -1.054) 1.704 12.006 ( -2.936 0.000 2.506) 3.860 12.033 ( -2.521 0.000 1.635) 3.005 12.050 ( -1.386 0.000 -0.239) 1.406 12.085 ( -1.611 0.000 0.583) 1.714 12.107 ( 1.706 0.000 -2.452) 2.988 12.196 ( -3.057 0.000 1.340) 3.338 12.231 ( -5.067 0.000 1.363) 5.247 12.276 ( -4.338 0.000 2.795) 5.160 12.324 ( 0.702 0.000 1.615) 1.761 12.362 ( 5.579 0.000 -7.233) 9.135 12.426 ( 1.261 0.000 -4.129) 4.317 12.471 ( -3.668 0.000 3.986) 5.416 12.598 ( 2.016 0.000 -3.890) 4.381 12.672 ( -1.381 0.000 2.998) 3.301 12.718 ( -3.132 0.000 3.975) 5.060 12.752 ( 1.461 0.000 0.197) 1.474 12.785 ( 3.494 0.000 -5.711) 6.696 12.786 ( 1.194 0.000 -2.599) 2.860 12.886 ( -3.022 0.000 -0.566) 3.075 12.954 ( 4.538 0.000 -6.261) 7.732 12.997 ( -2.459 0.000 -1.519) 2.890 13.094 ( 4.295 0.000 -2.332) 4.887 13.128 ( -1.016 0.000 0.480) 1.123 13.226 ( 1.799 0.000 6.563) 6.805 13.266 ( 2.723 0.000 -0.258) 2.736 13.391 ( 0.385 0.000 3.475) 3.496 13.398 ( 6.159 0.000 6.023) 8.614 13.648 ( 0.198 0.000 3.541) 3.547 13.678 ( -2.687 0.000 -8.640) 9.048 13.716 ( -7.763 0.000 -3.777) 8.633 13.795 ( -7.599 0.000 -0.003) 7.599 13.903 ( -2.645 0.000 4.610) 5.315 14.072 ( 0.748 0.000 -9.521) 9.550 14.136 ( 0.205 0.000 5.015) 5.019 14.201 ( -3.355 0.000 4.300) 5.454 14.464 ( -3.081 0.000 3.623) 4.756 14.504 ( 1.886 0.000 2.490) 3.124 14.598 ( 1.220 0.000 -4.134) 4.310 14.628 ( 2.910 0.000 5.421) 6.152 14.755 ( 1.588 0.000 -6.023) 6.229 14.843 ( -1.218 0.000 -2.870) 3.118 14.876 ( 0.669 0.000 8.160) 8.187 15.081 ( 1.795 0.000 -6.704) 6.941 ======================= Grid point 95 (48/69) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -14.716 0.000 9.851) 17.709 2.093 ( 2.705 0.000 -11.685) 11.994 2.224 ( -22.924 0.000 -0.090) 22.924 2.427 ( -5.633 0.000 -1.303) 5.781 2.527 ( 4.929 0.000 -0.194) 4.933 2.606 ( 14.038 0.000 -1.214) 14.090 2.759 ( -6.262 0.000 -0.661) 6.297 2.766 ( -2.011 0.000 -4.238) 4.691 2.890 ( -12.845 0.000 0.455) 12.853 2.914 ( -5.925 0.000 1.114) 6.029 2.942 ( 0.899 0.000 -2.415) 2.577 3.070 ( -6.991 0.000 -4.374) 8.247 3.086 ( 1.725 0.000 2.405) 2.960 3.163 ( 1.788 0.000 1.694) 2.463 3.163 ( -0.205 0.000 3.397) 3.403 3.195 ( -2.808 0.000 -2.204) 3.570 3.251 ( 4.377 0.000 -1.244) 4.551 3.306 ( 11.761 0.000 -0.064) 11.761 3.314 ( -0.301 0.000 1.553) 1.582 3.356 ( 3.370 0.000 -2.919) 4.459 3.470 ( -6.700 0.000 4.253) 7.936 3.541 ( -0.231 0.000 5.071) 5.077 3.552 ( 1.458 0.000 1.067) 1.807 3.589 ( -4.231 0.000 0.931) 4.333 3.625 ( -1.260 0.000 -0.761) 1.472 3.651 ( 2.426 0.000 1.702) 2.964 3.680 ( -1.459 0.000 1.950) 2.436 3.698 ( -0.982 0.000 3.801) 3.925 3.751 ( -8.348 0.000 1.866) 8.554 3.864 ( 0.532 0.000 4.016) 4.051 3.867 ( -6.406 0.000 1.622) 6.608 3.896 ( -3.661 0.000 -3.021) 4.747 3.943 ( -0.089 0.000 2.860) 2.861 3.995 ( -3.917 0.000 -2.225) 4.505 3.999 ( 3.583 0.000 -4.080) 5.430 4.050 ( 5.298 0.000 1.195) 5.431 4.063 ( -3.737 0.000 3.523) 5.136 4.129 ( 1.401 0.000 -1.985) 2.430 4.162 ( 7.021 0.000 -5.003) 8.621 4.232 ( 8.117 0.000 -3.338) 8.776 4.275 ( 2.053 0.000 -5.024) 5.427 4.287 ( 1.093 0.000 2.731) 2.942 4.323 ( 1.954 0.000 2.859) 3.463 4.326 ( -0.453 0.000 -3.523) 3.552 4.335 ( -1.360 0.000 2.262) 2.640 4.374 ( -4.560 0.000 -3.936) 6.024 4.470 ( 2.870 0.000 5.165) 5.908 4.514 ( 2.452 0.000 -5.200) 5.750 4.561 ( 5.128 0.000 -0.593) 5.162 4.572 ( 5.348 0.000 -3.561) 6.425 4.630 ( -8.482 0.000 2.138) 8.748 4.724 ( -4.512 0.000 2.318) 5.073 4.767 ( -5.462 0.000 -2.517) 6.014 4.807 ( 2.283 0.000 3.776) 4.412 4.867 ( 2.239 0.000 -0.455) 2.285 4.895 ( 1.694 0.000 -1.780) 2.457 4.926 ( 1.692 0.000 3.163) 3.587 4.942 ( 0.941 0.000 1.018) 1.386 4.985 ( -0.369 0.000 1.560) 1.603 5.030 ( 2.612 0.000 -1.165) 2.860 5.146 ( 1.714 0.000 -0.015) 1.714 5.157 ( 1.819 0.000 -1.446) 2.323 5.197 ( -3.060 0.000 -4.031) 5.061 5.218 ( 0.496 0.000 5.609) 5.631 5.219 ( 1.380 0.000 1.629) 2.135 5.263 ( -0.898 0.000 -1.488) 1.738 5.382 ( -0.244 0.000 -0.121) 0.272 5.388 ( -0.084 0.000 0.938) 0.941 5.495 ( 0.573 0.000 0.636) 0.856 5.500 ( 0.042 0.000 -1.610) 1.611 5.584 ( -1.556 0.000 2.103) 2.616 5.621 ( 0.074 0.000 -2.040) 2.042 6.136 ( -4.037 0.000 0.116) 4.039 6.151 ( -3.277 0.000 -0.413) 3.302 6.155 ( -0.049 0.000 0.553) 0.555 6.201 ( 1.364 0.000 0.930) 1.651 6.391 ( 0.841 0.000 2.236) 2.389 6.427 ( 1.839 0.000 -3.443) 3.903 6.442 ( 2.700 0.000 4.567) 5.306 6.475 ( 0.568 0.000 -4.625) 4.659 6.621 ( -0.325 0.000 2.701) 2.721 6.695 ( 3.793 0.000 -3.552) 5.196 7.079 ( -1.708 0.000 3.300) 3.716 7.151 ( 1.707 0.000 -4.480) 4.794 7.260 ( -2.519 0.000 -0.927) 2.684 7.276 ( 1.979 0.000 3.718) 4.212 7.464 ( 2.795 0.000 3.467) 4.453 7.465 ( -1.648 0.000 -2.984) 3.409 7.540 ( 0.510 0.000 0.227) 0.558 7.540 ( 0.244 0.000 2.301) 2.314 7.621 ( 0.249 0.000 -1.227) 1.252 7.642 ( 1.096 0.000 -3.183) 3.367 7.876 ( -3.730 0.000 -3.396) 5.044 7.892 ( 2.050 0.000 2.303) 3.083 8.046 ( -7.056 0.000 -4.161) 8.192 8.076 ( 1.905 0.000 2.137) 2.863 8.129 ( 1.862 0.000 -0.341) 1.893 8.171 ( 5.603 0.000 0.937) 5.681 8.251 ( -2.865 0.000 -3.015) 4.159 8.269 ( 3.869 0.000 4.336) 5.811 8.340 ( -1.992 0.000 5.663) 6.003 8.412 ( -0.873 0.000 -4.100) 4.192 8.550 ( -4.128 0.000 0.421) 4.149 8.594 ( -2.043 0.000 1.360) 2.455 8.632 ( 0.566 0.000 0.081) 0.572 8.686 ( 11.276 0.000 2.284) 11.505 8.746 ( 1.160 0.000 -2.355) 2.625 8.750 ( 3.396 0.000 3.147) 4.630 8.831 ( -2.025 0.000 6.999) 7.286 8.921 ( -2.442 0.000 -3.602) 4.351 8.959 ( 2.662 0.000 2.790) 3.856 8.975 ( 0.251 0.000 -7.695) 7.699 9.102 ( -6.600 0.000 0.151) 6.602 9.161 ( 0.512 0.000 1.112) 1.225 9.176 ( 1.064 0.000 -0.674) 1.260 9.248 ( 5.669 0.000 -3.395) 6.608 9.465 ( 0.575 0.000 -1.879) 1.965 9.484 ( 1.520 0.000 -2.284) 2.743 9.702 ( -0.954 0.000 -2.814) 2.971 9.713 ( 3.509 0.000 1.880) 3.981 9.816 ( -6.345 0.000 -2.501) 6.821 9.844 ( 2.693 0.000 6.723) 7.242 10.042 ( -1.866 0.000 3.181) 3.688 10.094 ( 0.805 0.000 -2.343) 2.478 10.204 ( -2.211 0.000 4.353) 4.882 10.283 ( 1.429 0.000 -2.956) 3.284 10.400 ( -4.408 0.000 1.135) 4.551 10.492 ( 3.361 0.000 -1.626) 3.734 10.579 ( -2.752 0.000 2.244) 3.551 10.614 ( 2.285 0.000 4.483) 5.032 10.669 ( 0.037 0.000 1.761) 1.762 10.698 ( 0.059 0.000 -4.783) 4.783 10.787 ( -4.950 0.000 0.506) 4.976 10.793 ( -3.840 0.000 4.793) 6.142 10.917 ( -1.033 0.000 0.802) 1.308 10.961 ( 0.103 0.000 -6.014) 6.015 11.024 ( -3.693 0.000 0.418) 3.717 11.086 ( -0.284 0.000 2.678) 2.693 11.124 ( 3.329 0.000 -1.527) 3.662 11.172 ( 4.736 0.000 -4.859) 6.785 11.222 ( 0.828 0.000 -0.916) 1.234 11.268 ( 3.512 0.000 -1.986) 4.035 11.442 ( -5.208 0.000 1.586) 5.444 11.479 ( -3.217 0.000 -0.018) 3.217 11.767 ( -6.763 0.000 -1.904) 7.026 11.789 ( -8.635 0.000 1.800) 8.821 11.877 ( 0.903 0.000 1.726) 1.948 11.945 ( 3.840 0.000 2.585) 4.629 11.967 ( 1.673 0.000 0.537) 1.757 11.978 ( -2.862 0.000 1.736) 3.348 12.046 ( -0.488 0.000 1.060) 1.167 12.063 ( 1.260 0.000 1.150) 1.706 12.102 ( 3.545 0.000 -1.166) 3.732 12.107 ( 0.206 0.000 -2.138) 2.148 12.172 ( -3.787 0.000 2.258) 4.409 12.232 ( 4.293 0.000 0.309) 4.304 12.243 ( -0.616 0.000 1.751) 1.857 12.350 ( -0.584 0.000 2.960) 3.017 12.403 ( 0.403 0.000 -5.199) 5.215 12.408 ( 7.064 0.000 -6.970) 9.924 12.500 ( 1.843 0.000 4.305) 4.683 12.580 ( 3.736 0.000 -6.646) 7.624 12.667 ( -3.015 0.000 5.521) 6.291 12.685 ( -4.389 0.000 4.054) 5.975 12.774 ( 0.776 0.000 -5.752) 5.804 12.793 ( 0.961 0.000 -1.787) 2.029 12.813 ( -1.779 0.000 -2.292) 2.902 12.828 ( 2.972 0.000 3.911) 4.912 12.934 ( -1.307 0.000 -3.792) 4.010 13.002 ( 4.869 0.000 -3.689) 6.109 13.090 ( -2.684 0.000 -1.265) 2.967 13.157 ( 4.035 0.000 -1.838) 4.433 13.243 ( -2.443 0.000 2.002) 3.158 13.313 ( 2.865 0.000 -1.857) 3.414 13.487 ( 1.407 0.000 6.669) 6.816 13.500 ( -5.462 0.000 -4.059) 6.805 13.550 ( -3.155 0.000 -5.221) 6.100 13.582 ( 4.107 0.000 2.402) 4.758 13.734 ( 3.072 0.000 -1.287) 3.331 13.743 ( 4.755 0.000 5.906) 7.582 13.912 ( -1.524 0.000 5.950) 6.142 14.024 ( 2.434 0.000 -7.732) 8.106 14.169 ( -3.125 0.000 1.797) 3.605 14.186 ( 0.527 0.000 4.842) 4.870 14.439 ( -4.587 0.000 5.620) 7.254 14.560 ( -2.653 0.000 1.757) 3.182 14.574 ( 3.631 0.000 -1.422) 3.900 14.679 ( 2.119 0.000 -6.466) 6.804 14.758 ( 0.756 0.000 4.411) 4.475 14.778 ( -2.576 0.000 -4.137) 4.873 14.944 ( -0.690 0.000 7.174) 7.207 15.034 ( 0.079 0.000 -7.814) 7.815 ======================= Grid point 96 (49/69) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -22.120 0.000 14.047) 26.203 1.727 ( -27.745 0.000 4.041) 28.038 2.104 ( 1.266 0.000 -8.512) 8.606 2.281 ( -9.784 0.000 -1.687) 9.928 2.524 ( -6.897 0.000 0.631) 6.926 2.582 ( -9.853 0.000 1.056) 9.910 2.597 ( -4.240 0.000 0.744) 4.305 2.639 ( -14.096 0.000 -0.524) 14.106 2.742 ( -11.002 0.000 1.443) 11.096 2.796 ( -11.880 0.000 -11.408) 16.470 2.915 ( -29.353 0.000 7.446) 30.283 2.937 ( -3.944 0.000 -3.107) 5.021 2.948 ( 13.256 0.000 2.199) 13.437 3.168 ( 1.206 0.000 -1.633) 2.029 3.195 ( -1.950 0.000 -2.174) 2.920 3.207 ( -0.832 0.000 2.907) 3.024 3.269 ( -3.351 0.000 1.946) 3.875 3.291 ( -5.131 0.000 4.146) 6.596 3.352 ( 4.613 0.000 -3.840) 6.002 3.395 ( 0.933 0.000 -2.446) 2.617 3.435 ( -0.689 0.000 6.363) 6.400 3.551 ( 4.827 0.000 -1.539) 5.066 3.591 ( -1.831 0.000 -3.522) 3.969 3.612 ( 1.176 0.000 7.579) 7.669 3.641 ( -1.534 0.000 1.790) 2.357 3.665 ( 2.677 0.000 0.000) 2.677 3.694 ( 1.919 0.000 -1.687) 2.555 3.740 ( 1.183 0.000 0.709) 1.379 3.759 ( 3.279 0.000 2.177) 3.936 3.830 ( 3.823 0.000 -0.265) 3.832 3.859 ( 0.903 0.000 5.265) 5.342 3.885 ( 1.830 0.000 1.691) 2.492 3.940 ( 0.260 0.000 -0.245) 0.357 3.984 ( 2.800 0.000 -0.374) 2.824 4.010 ( 1.058 0.000 -3.425) 3.585 4.023 ( -3.022 0.000 2.688) 4.044 4.115 ( 0.923 0.000 -1.268) 1.568 4.166 ( 0.257 0.000 -0.595) 0.648 4.236 ( 2.016 0.000 -3.395) 3.949 4.236 ( 3.133 0.000 -2.202) 3.829 4.259 ( -4.039 0.000 0.620) 4.086 4.272 ( -4.134 0.000 2.703) 4.939 4.293 ( 1.391 0.000 -6.458) 6.606 4.351 ( 3.687 0.000 -1.817) 4.111 4.354 ( 2.899 0.000 1.547) 3.286 4.394 ( 1.673 0.000 5.028) 5.299 4.495 ( -2.908 0.000 -0.793) 3.014 4.552 ( 2.154 0.000 4.123) 4.651 4.594 ( 5.213 0.000 0.562) 5.243 4.624 ( -3.641 0.000 -6.848) 7.756 4.663 ( 6.409 0.000 -2.759) 6.977 4.677 ( 6.069 0.000 -0.909) 6.136 4.730 ( 5.164 0.000 -0.071) 5.164 4.796 ( -1.665 0.000 -3.525) 3.898 4.847 ( -3.512 0.000 2.403) 4.255 4.890 ( -0.648 0.000 0.378) 0.750 4.949 ( -1.425 0.000 -0.110) 1.429 4.954 ( -1.829 0.000 0.694) 1.956 5.003 ( -3.418 0.000 1.633) 3.788 5.084 ( 3.679 0.000 -1.283) 3.896 5.144 ( 3.562 0.000 -2.762) 4.508 5.162 ( -0.902 0.000 -1.620) 1.854 5.205 ( -0.541 0.000 0.704) 0.888 5.207 ( 4.779 0.000 -1.762) 5.094 5.223 ( -1.436 0.000 -1.482) 2.064 5.285 ( -0.392 0.000 3.994) 4.013 5.388 ( 1.272 0.000 -0.474) 1.357 5.397 ( -0.427 0.000 1.869) 1.917 5.504 ( 1.513 0.000 -0.770) 1.697 5.515 ( -0.025 0.000 2.415) 2.416 5.569 ( -2.210 0.000 2.392) 3.257 5.608 ( 0.343 0.000 -1.289) 1.334 6.053 ( -5.199 0.000 0.771) 5.256 6.099 ( -3.076 0.000 0.756) 3.168 6.152 ( -1.448 0.000 0.331) 1.486 6.190 ( -2.357 0.000 0.062) 2.358 6.428 ( 2.108 0.000 0.624) 2.198 6.443 ( 3.203 0.000 -3.269) 4.577 6.478 ( 4.595 0.000 -4.791) 6.638 6.536 ( 3.513 0.000 4.872) 6.007 6.666 ( 2.115 0.000 3.679) 4.243 6.758 ( 6.242 0.000 -2.748) 6.820 7.056 ( -3.313 0.000 1.925) 3.832 7.125 ( 0.763 0.000 -5.627) 5.679 7.233 ( -0.097 0.000 -0.393) 0.405 7.307 ( -1.401 0.000 -0.043) 1.401 7.465 ( 2.985 0.000 2.114) 3.658 7.502 ( -0.028 0.000 1.037) 1.037 7.551 ( -1.013 0.000 -0.818) 1.302 7.574 ( 3.844 0.000 -1.243) 4.040 7.637 ( -0.230 0.000 -1.573) 1.589 7.662 ( 1.967 0.000 5.927) 6.245 7.800 ( -1.678 0.000 -1.201) 2.064 7.856 ( -6.155 0.000 -2.063) 6.491 8.008 ( 3.679 0.000 1.363) 3.924 8.121 ( 1.598 0.000 0.161) 1.606 8.171 ( 3.128 0.000 -0.212) 3.135 8.180 ( 0.483 0.000 -2.358) 2.407 8.270 ( 2.139 0.000 1.869) 2.840 8.331 ( -1.838 0.000 4.295) 4.671 8.356 ( -0.583 0.000 -3.914) 3.957 8.390 ( 4.131 0.000 2.261) 4.709 8.537 ( -1.173 0.000 1.583) 1.970 8.616 ( 4.466 0.000 1.415) 4.685 8.654 ( 2.732 0.000 1.242) 3.001 8.733 ( 0.702 0.000 -6.939) 6.974 8.831 ( 0.307 0.000 5.883) 5.891 8.841 ( -3.209 0.000 -3.857) 5.017 8.866 ( 3.374 0.000 1.482) 3.685 8.918 ( 7.656 0.000 0.941) 7.714 8.949 ( 5.712 0.000 -1.733) 5.970 9.008 ( -2.371 0.000 0.064) 2.372 9.020 ( 1.344 0.000 3.275) 3.540 9.179 ( -0.159 0.000 -0.275) 0.318 9.205 ( 2.167 0.000 3.538) 4.149 9.311 ( 2.233 0.000 -2.160) 3.107 9.449 ( 0.300 0.000 -3.052) 3.067 9.456 ( -0.634 0.000 -3.398) 3.457 9.665 ( -4.658 0.000 -2.662) 5.365 9.693 ( 1.916 0.000 -2.500) 3.150 9.805 ( 1.650 0.000 1.823) 2.459 9.947 ( 1.299 0.000 6.849) 6.971 10.016 ( -3.128 0.000 1.851) 3.635 10.073 ( -0.171 0.000 -3.009) 3.014 10.174 ( -4.163 0.000 1.514) 4.429 10.242 ( -2.030 0.000 -6.690) 6.991 10.384 ( 1.517 0.000 2.964) 3.330 10.407 ( -7.056 0.000 -7.290) 10.146 10.558 ( -1.917 0.000 3.669) 4.139 10.601 ( -4.385 0.000 -4.346) 6.174 10.682 ( -5.455 0.000 -1.212) 5.588 10.702 ( -0.423 0.000 5.730) 5.745 10.738 ( -6.547 0.000 4.042) 7.694 10.772 ( 5.214 0.000 4.615) 6.963 10.888 ( -2.959 0.000 1.909) 3.522 10.891 ( -2.041 0.000 -5.221) 5.605 10.959 ( -3.445 0.000 -0.575) 3.493 11.101 ( 0.458 0.000 0.806) 0.927 11.107 ( -3.774 0.000 -0.692) 3.836 11.194 ( 2.330 0.000 -5.389) 5.872 11.265 ( 5.392 0.000 -3.452) 6.403 11.287 ( 2.962 0.000 -6.047) 6.733 11.373 ( -4.305 0.000 2.793) 5.132 11.422 ( -4.181 0.000 2.467) 4.855 11.658 ( -4.846 0.000 1.132) 4.976 11.675 ( -7.572 0.000 5.478) 9.346 11.808 ( -4.639 0.000 -2.180) 5.126 11.922 ( -4.681 0.000 3.185) 5.662 11.999 ( -1.365 0.000 0.310) 1.400 12.047 ( -1.939 0.000 4.046) 4.487 12.076 ( 2.118 0.000 -3.140) 3.788 12.100 ( 2.854 0.000 -1.497) 3.223 12.119 ( -1.388 0.000 3.902) 4.142 12.127 ( 8.115 0.000 0.740) 8.149 12.166 ( 0.475 0.000 2.618) 2.661 12.282 ( 1.144 0.000 0.738) 1.362 12.316 ( 4.367 0.000 0.319) 4.379 12.363 ( 0.095 0.000 2.675) 2.677 12.395 ( 5.838 0.000 -2.931) 6.532 12.470 ( 5.856 0.000 -5.140) 7.792 12.547 ( -0.507 0.000 1.985) 2.049 12.626 ( 5.327 0.000 -3.502) 6.375 12.645 ( -2.560 0.000 -0.281) 2.575 12.669 ( -0.661 0.000 2.724) 2.803 12.758 ( 2.638 0.000 -1.152) 2.878 12.779 ( -2.650 0.000 3.086) 4.067 12.799 ( 1.111 0.000 -0.069) 1.113 12.832 ( -1.640 0.000 -3.413) 3.787 12.938 ( 0.637 0.000 -1.080) 1.254 13.033 ( 1.214 0.000 -2.473) 2.755 13.043 ( 0.298 0.000 1.072) 1.113 13.177 ( 0.454 0.000 -3.210) 3.242 13.219 ( -1.594 0.000 0.222) 1.610 13.271 ( -2.720 0.000 -9.682) 10.057 13.389 ( -1.728 0.000 -0.140) 1.734 13.401 ( -1.835 0.000 -7.556) 7.776 13.632 ( 2.462 0.000 6.856) 7.284 13.688 ( 5.487 0.000 2.897) 6.205 13.863 ( 9.435 0.000 -1.788) 9.603 13.889 ( 4.586 0.000 5.208) 6.939 13.969 ( 1.072 0.000 10.623) 10.677 14.023 ( 4.528 0.000 -5.060) 6.790 14.130 ( -2.652 0.000 1.036) 2.847 14.231 ( -0.659 0.000 4.412) 4.461 14.412 ( -3.082 0.000 4.996) 5.870 14.510 ( -1.949 0.000 -1.533) 2.480 14.621 ( 0.595 0.000 -0.339) 0.685 14.633 ( 0.188 0.000 -6.779) 6.782 14.702 ( -1.776 0.000 -1.873) 2.581 14.811 ( 0.011 0.000 4.573) 4.573 14.952 ( -1.232 0.000 -8.438) 8.527 14.971 ( -2.978 0.000 5.911) 6.619 ======================= Grid point 97 (50/69) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -23.047 0.000 21.366) 31.427 1.343 ( -25.567 0.000 17.395) 30.924 2.035 ( 0.939 0.000 -11.017) 11.057 2.093 ( -11.835 0.000 3.565) 12.360 2.303 ( -29.129 0.000 19.698) 35.164 2.417 ( -7.958 0.000 -5.377) 9.604 2.448 ( -10.750 0.000 4.891) 11.811 2.469 ( -10.110 0.000 -18.079) 20.714 2.479 ( -20.765 0.000 8.229) 22.336 2.525 ( -7.186 0.000 2.240) 7.527 2.640 ( -0.918 0.000 0.737) 1.177 2.772 ( -9.747 0.000 -1.833) 9.918 3.030 ( -6.265 0.000 -9.687) 11.536 3.067 ( -6.294 0.000 -7.292) 9.633 3.167 ( -5.230 0.000 -7.153) 8.861 3.170 ( 3.995 0.000 2.931) 4.955 3.226 ( -2.026 0.000 3.536) 4.075 3.305 ( 2.163 0.000 3.297) 3.943 3.379 ( -1.099 0.000 0.886) 1.412 3.424 ( 6.445 0.000 -1.560) 6.631 3.496 ( -1.288 0.000 -0.177) 1.300 3.504 ( 0.190 0.000 7.364) 7.366 3.580 ( 0.350 0.000 -2.022) 2.052 3.622 ( -0.997 0.000 0.219) 1.021 3.678 ( 3.629 0.000 -0.661) 3.688 3.715 ( 1.576 0.000 7.373) 7.539 3.775 ( -0.199 0.000 0.272) 0.337 3.809 ( 0.524 0.000 4.151) 4.184 3.816 ( 0.667 0.000 1.966) 2.076 3.880 ( 5.383 0.000 -1.195) 5.514 3.899 ( -2.766 0.000 -2.779) 3.921 3.944 ( 0.866 0.000 3.732) 3.832 3.945 ( 1.007 0.000 -0.379) 1.075 3.993 ( -0.732 0.000 -3.759) 3.829 4.029 ( 3.563 0.000 0.343) 3.580 4.065 ( -1.651 0.000 -5.949) 6.174 4.084 ( 5.909 0.000 3.380) 6.807 4.124 ( 1.126 0.000 -6.496) 6.593 4.190 ( -2.883 0.000 0.917) 3.025 4.214 ( -2.372 0.000 3.894) 4.560 4.225 ( 0.948 0.000 -3.332) 3.464 4.282 ( 2.605 0.000 -0.511) 2.654 4.343 ( 4.143 0.000 2.517) 4.848 4.410 ( 5.410 0.000 -1.307) 5.565 4.443 ( 0.551 0.000 4.520) 4.553 4.463 ( 0.895 0.000 -1.802) 2.012 4.483 ( 7.169 0.000 -1.052) 7.246 4.543 ( 0.949 0.000 -3.615) 3.738 4.593 ( 0.129 0.000 -4.170) 4.172 4.683 ( 2.783 0.000 0.963) 2.944 4.724 ( 0.242 0.000 -0.076) 0.253 4.742 ( 2.790 0.000 -1.310) 3.082 4.780 ( 4.756 0.000 -5.121) 6.989 4.797 ( 1.323 0.000 -1.379) 1.911 4.838 ( 2.387 0.000 0.615) 2.465 4.898 ( 0.185 0.000 2.792) 2.798 4.904 ( -0.702 0.000 0.496) 0.860 4.906 ( -1.979 0.000 0.915) 2.181 4.975 ( -1.570 0.000 1.711) 2.322 5.104 ( -2.906 0.000 -2.240) 3.669 5.114 ( 0.767 0.000 -1.057) 1.306 5.146 ( -3.721 0.000 -1.259) 3.928 5.191 ( -1.904 0.000 -0.070) 1.906 5.199 ( 2.079 0.000 -0.238) 2.093 5.287 ( 3.910 0.000 -1.870) 4.334 5.298 ( -1.548 0.000 3.323) 3.666 5.409 ( -0.283 0.000 3.155) 3.168 5.429 ( 3.785 0.000 -0.005) 3.785 5.515 ( -3.633 0.000 4.452) 5.746 5.518 ( 0.919 0.000 -1.170) 1.488 5.569 ( 0.939 0.000 0.511) 1.069 5.613 ( 0.954 0.000 -0.904) 1.314 5.973 ( -5.166 0.000 1.946) 5.520 6.065 ( -1.749 0.000 0.921) 1.977 6.095 ( -3.512 0.000 -1.595) 3.857 6.148 ( -1.832 0.000 -1.946) 2.673 6.471 ( 2.383 0.000 -0.056) 2.384 6.495 ( 5.633 0.000 -2.335) 6.098 6.527 ( 4.645 0.000 -3.403) 5.758 6.658 ( 5.531 0.000 5.500) 7.800 6.750 ( 3.073 0.000 4.743) 5.651 6.845 ( 6.154 0.000 -2.774) 6.751 7.011 ( -3.706 0.000 2.385) 4.407 7.091 ( 0.963 0.000 -5.339) 5.425 7.247 ( 1.479 0.000 0.604) 1.598 7.268 ( -0.804 0.000 -2.575) 2.698 7.462 ( -3.440 0.000 -1.395) 3.712 7.500 ( -3.556 0.000 3.484) 4.978 7.546 ( -0.577 0.000 1.773) 1.865 7.595 ( -0.965 0.000 -1.361) 1.668 7.669 ( 6.422 0.000 -1.762) 6.659 7.730 ( -0.549 0.000 1.680) 1.768 7.748 ( -3.746 0.000 1.881) 4.192 7.801 ( 1.821 0.000 -1.274) 2.223 8.082 ( 3.241 0.000 0.274) 3.253 8.156 ( 5.047 0.000 0.162) 5.050 8.229 ( 2.869 0.000 0.943) 3.020 8.235 ( 2.366 0.000 0.624) 2.447 8.289 ( 2.991 0.000 -0.710) 3.074 8.311 ( -1.825 0.000 -0.889) 2.030 8.338 ( 1.618 0.000 -2.967) 3.380 8.476 ( 4.582 0.000 -0.189) 4.586 8.537 ( -0.019 0.000 1.404) 1.404 8.641 ( -2.569 0.000 -8.020) 8.421 8.691 ( -0.350 0.000 4.114) 4.129 8.709 ( -1.112 0.000 -3.157) 3.347 8.831 ( 8.337 0.000 3.431) 9.015 8.885 ( -0.109 0.000 2.007) 2.010 8.898 ( -5.540 0.000 2.539) 6.094 8.975 ( 6.182 0.000 4.995) 7.948 9.052 ( 7.911 0.000 -0.806) 7.952 9.078 ( 4.476 0.000 1.707) 4.791 9.079 ( 3.124 0.000 -0.883) 3.247 9.165 ( -1.788 0.000 -0.999) 2.048 9.243 ( -3.561 0.000 -4.647) 5.855 9.363 ( 9.965 0.000 7.377) 12.399 9.413 ( -2.330 0.000 -2.604) 3.495 9.445 ( 1.551 0.000 -0.994) 1.842 9.629 ( -0.188 0.000 3.263) 3.268 9.655 ( -3.001 0.000 -6.784) 7.418 9.802 ( -2.430 0.000 -0.103) 2.433 9.953 ( -2.627 0.000 -2.075) 3.348 9.999 ( -0.732 0.000 2.222) 2.339 10.075 ( -0.621 0.000 1.830) 1.933 10.094 ( -4.748 0.000 -7.353) 8.753 10.139 ( -0.445 0.000 0.217) 0.495 10.229 ( -9.293 0.000 -0.083) 9.293 10.350 ( -9.972 0.000 -1.047) 10.027 10.471 ( -7.768 0.000 -3.500) 8.520 10.548 ( -3.904 0.000 3.678) 5.363 10.609 ( -3.472 0.000 1.033) 3.622 10.643 ( 0.016 0.000 0.888) 0.888 10.752 ( -1.244 0.000 2.914) 3.169 10.822 ( -0.662 0.000 -2.282) 2.376 10.822 ( -1.245 0.000 0.226) 1.265 10.896 ( -2.030 0.000 -1.566) 2.564 10.944 ( 5.092 0.000 4.154) 6.572 11.015 ( -3.861 0.000 -3.656) 5.318 11.119 ( 0.549 0.000 1.109) 1.237 11.153 ( -1.363 0.000 -4.217) 4.431 11.282 ( 3.066 0.000 -6.794) 7.454 11.303 ( 0.131 0.000 0.730) 0.742 11.350 ( -1.642 0.000 2.766) 3.217 11.379 ( -3.210 0.000 2.753) 4.229 11.618 ( -1.125 0.000 0.843) 1.406 11.626 ( -2.401 0.000 2.874) 3.745 11.719 ( -2.673 0.000 -2.747) 3.833 11.839 ( -5.089 0.000 -2.622) 5.724 12.000 ( -0.801 0.000 5.841) 5.895 12.019 ( -3.222 0.000 1.407) 3.516 12.072 ( -1.093 0.000 -3.550) 3.714 12.097 ( 2.581 0.000 -1.442) 2.957 12.181 ( -1.810 0.000 8.869) 9.052 12.210 ( 3.513 0.000 1.700) 3.903 12.265 ( 5.502 0.000 0.725) 5.550 12.282 ( -0.153 0.000 0.745) 0.760 12.338 ( -0.565 0.000 -0.405) 0.695 12.447 ( 4.634 0.000 3.776) 5.978 12.515 ( 1.939 0.000 -1.815) 2.655 12.534 ( 8.558 0.000 0.157) 8.559 12.546 ( 0.138 0.000 0.909) 0.920 12.600 ( 2.335 0.000 -5.779) 6.233 12.647 ( -1.711 0.000 3.177) 3.609 12.699 ( 1.416 0.000 -3.588) 3.857 12.765 ( 0.883 0.000 -0.503) 1.016 12.790 ( 0.098 0.000 -0.543) 0.551 12.822 ( 2.272 0.000 3.824) 4.448 12.850 ( 4.399 0.000 -0.788) 4.469 12.904 ( -1.899 0.000 1.191) 2.241 12.989 ( -4.042 0.000 -1.307) 4.248 13.116 ( 2.728 0.000 2.368) 3.613 13.136 ( -1.114 0.000 -4.829) 4.955 13.142 ( -1.827 0.000 -6.675) 6.920 13.184 ( -1.248 0.000 -0.753) 1.457 13.335 ( 1.651 0.000 -7.900) 8.070 13.374 ( -0.719 0.000 -0.824) 1.094 13.712 ( 0.964 0.000 4.876) 4.970 13.820 ( 7.673 0.000 -0.263) 7.678 13.929 ( 2.204 0.000 -4.900) 5.373 13.975 ( 1.219 0.000 5.931) 6.055 14.100 ( -1.821 0.000 1.594) 2.420 14.127 ( 8.676 0.000 -1.494) 8.803 14.130 ( 3.649 0.000 12.175) 12.710 14.230 ( -1.827 0.000 3.277) 3.752 14.430 ( 0.236 0.000 1.896) 1.911 14.479 ( -1.007 0.000 0.581) 1.163 14.575 ( -0.360 0.000 -6.750) 6.760 14.585 ( 0.158 0.000 -3.216) 3.220 14.705 ( 0.109 0.000 2.569) 2.571 14.831 ( -1.218 0.000 2.467) 2.751 14.851 ( -1.738 0.000 -7.855) 8.045 14.940 ( -5.967 0.000 4.831) 7.678 ======================= Grid point 98 (51/69) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -15.832 0.000 28.723) 32.797 1.204 ( -16.692 0.000 28.979) 33.443 1.951 ( 3.111 0.000 -17.012) 17.294 1.961 ( -8.071 0.000 7.280) 10.869 2.035 ( -25.730 0.000 41.756) 49.047 2.137 ( -6.069 0.000 -24.074) 24.827 2.233 ( -6.178 0.000 -5.081) 8.000 2.317 ( -7.172 0.000 5.154) 8.832 2.385 ( -3.156 0.000 7.986) 8.587 2.457 ( -4.075 0.000 5.846) 7.126 2.619 ( -7.062 0.000 2.152) 7.382 2.641 ( -0.714 0.000 -2.279) 2.389 2.816 ( -4.560 0.000 -13.061) 13.834 2.871 ( -5.106 0.000 -10.892) 12.030 2.962 ( -5.514 0.000 -13.623) 14.696 3.178 ( 0.020 0.000 0.371) 0.372 3.331 ( 4.829 0.000 3.173) 5.778 3.348 ( -2.703 0.000 4.639) 5.369 3.399 ( 0.785 0.000 2.866) 2.972 3.444 ( -1.820 0.000 -9.945) 10.110 3.536 ( 3.111 0.000 3.704) 4.837 3.575 ( 0.636 0.000 0.100) 0.643 3.578 ( 3.577 0.000 2.366) 4.288 3.600 ( -2.210 0.000 0.571) 2.283 3.694 ( -4.123 0.000 -6.460) 7.663 3.714 ( 0.863 0.000 -3.211) 3.325 3.777 ( -1.554 0.000 3.863) 4.164 3.779 ( 0.089 0.000 3.293) 3.294 3.811 ( -0.718 0.000 -0.112) 0.727 3.863 ( -3.808 0.000 0.292) 3.819 3.883 ( -2.623 0.000 0.761) 2.731 3.920 ( 0.108 0.000 2.821) 2.823 3.967 ( -0.070 0.000 0.649) 0.653 3.998 ( 0.726 0.000 3.376) 3.453 4.026 ( -0.960 0.000 -2.660) 2.828 4.125 ( 2.310 0.000 -2.516) 3.416 4.139 ( 7.809 0.000 -2.384) 8.165 4.177 ( 1.886 0.000 1.009) 2.139 4.181 ( 1.972 0.000 1.573) 2.522 4.199 ( -0.007 0.000 -3.661) 3.661 4.268 ( 2.599 0.000 1.857) 3.194 4.334 ( 2.423 0.000 -1.030) 2.633 4.379 ( -0.226 0.000 -1.271) 1.291 4.475 ( -1.795 0.000 4.225) 4.591 4.491 ( 5.133 0.000 -2.542) 5.728 4.516 ( 5.065 0.000 1.228) 5.211 4.530 ( 1.396 0.000 -5.636) 5.807 4.567 ( 2.946 0.000 -2.088) 3.611 4.569 ( 2.261 0.000 0.552) 2.327 4.693 ( -1.388 0.000 -1.577) 2.101 4.719 ( -0.414 0.000 2.497) 2.531 4.757 ( 2.467 0.000 -4.693) 5.302 4.800 ( 2.203 0.000 -3.323) 3.987 4.805 ( 0.003 0.000 0.747) 0.747 4.884 ( 2.716 0.000 -1.093) 2.928 4.900 ( -0.005 0.000 2.645) 2.645 4.933 ( 0.690 0.000 0.760) 1.026 4.962 ( -0.424 0.000 0.947) 1.037 4.972 ( 1.740 0.000 -0.733) 1.888 5.051 ( 0.391 0.000 -1.234) 1.295 5.075 ( -2.692 0.000 0.007) 2.692 5.104 ( -1.056 0.000 -0.085) 1.059 5.168 ( -0.095 0.000 1.165) 1.169 5.207 ( -1.569 0.000 1.461) 2.144 5.283 ( -2.387 0.000 1.461) 2.799 5.318 ( 0.656 0.000 -0.314) 0.728 5.444 ( 0.540 0.000 3.844) 3.881 5.476 ( -1.689 0.000 1.816) 2.480 5.505 ( 1.522 0.000 1.819) 2.372 5.528 ( 0.958 0.000 -0.016) 0.958 5.591 ( 1.242 0.000 -0.679) 1.416 5.609 ( -0.053 0.000 -2.056) 2.057 5.918 ( -3.477 0.000 2.956) 4.564 6.026 ( -2.077 0.000 -2.675) 3.387 6.047 ( -1.306 0.000 0.758) 1.510 6.098 ( -0.998 0.000 -3.088) 3.245 6.502 ( 1.291 0.000 -0.325) 1.332 6.537 ( 1.600 0.000 -2.853) 3.271 6.615 ( 7.718 0.000 -1.377) 7.840 6.793 ( 3.188 0.000 1.645) 3.588 6.843 ( 2.423 0.000 5.083) 5.631 6.916 ( 5.140 0.000 -2.924) 5.914 6.971 ( -4.224 0.000 3.625) 5.566 7.064 ( 1.061 0.000 -4.736) 4.853 7.253 ( 1.838 0.000 -2.155) 2.832 7.269 ( -1.146 0.000 1.356) 1.775 7.407 ( -0.472 0.000 -1.876) 1.935 7.439 ( -4.867 0.000 1.219) 5.017 7.539 ( -1.107 0.000 0.546) 1.234 7.563 ( -1.508 0.000 -1.096) 1.864 7.694 ( -0.597 0.000 1.699) 1.801 7.739 ( 2.746 0.000 -0.850) 2.874 7.751 ( -2.398 0.000 3.263) 4.050 7.810 ( 1.544 0.000 -3.409) 3.743 8.117 ( 1.027 0.000 -0.112) 1.033 8.172 ( -1.932 0.000 -1.381) 2.375 8.256 ( 0.522 0.000 -2.498) 2.552 8.292 ( 2.198 0.000 0.727) 2.315 8.323 ( 2.531 0.000 -3.492) 4.313 8.374 ( 3.276 0.000 1.535) 3.618 8.400 ( 11.554 0.000 1.986) 11.724 8.554 ( -1.525 0.000 -0.981) 1.813 8.564 ( 3.043 0.000 0.262) 3.054 8.578 ( 7.791 0.000 0.130) 7.792 8.663 ( -0.031 0.000 -2.254) 2.254 8.691 ( -3.282 0.000 4.217) 5.344 8.823 ( -4.486 0.000 1.340) 4.682 8.831 ( -5.561 0.000 0.080) 5.562 9.045 ( 9.900 0.000 1.566) 10.023 9.050 ( -4.360 0.000 -2.494) 5.023 9.078 ( 0.027 0.000 -0.289) 0.291 9.089 ( 1.172 0.000 3.967) 4.136 9.197 ( 3.049 0.000 0.878) 3.173 9.220 ( -0.038 0.000 4.616) 4.616 9.285 ( 12.388 0.000 -0.167) 12.390 9.350 ( -0.527 0.000 0.299) 0.606 9.431 ( 0.571 0.000 -3.352) 3.400 9.535 ( 2.371 0.000 -2.236) 3.259 9.625 ( 6.700 0.000 5.361) 8.581 9.660 ( -1.197 0.000 4.358) 4.519 9.762 ( -1.788 0.000 1.180) 2.143 9.867 ( -2.934 0.000 -5.989) 6.669 9.974 ( -10.901 0.000 2.719) 11.234 9.977 ( -9.308 0.000 2.675) 9.685 9.988 ( -3.453 0.000 -3.315) 4.786 10.091 ( -5.676 0.000 -2.251) 6.106 10.138 ( -3.497 0.000 3.273) 4.790 10.170 ( -2.119 0.000 -1.040) 2.361 10.329 ( -2.074 0.000 -5.840) 6.197 10.433 ( -4.898 0.000 -2.809) 5.646 10.583 ( -5.911 0.000 -2.357) 6.363 10.599 ( -4.264 0.000 -1.694) 4.588 10.779 ( 3.127 0.000 4.225) 5.256 10.838 ( 1.160 0.000 2.066) 2.369 10.840 ( 2.849 0.000 -0.277) 2.862 10.868 ( 0.374 0.000 -0.588) 0.696 10.933 ( -1.258 0.000 -3.780) 3.984 11.025 ( 0.659 0.000 0.062) 0.662 11.114 ( -0.805 0.000 -0.870) 1.185 11.133 ( -0.001 0.000 0.599) 0.599 11.292 ( -4.516 0.000 4.333) 6.258 11.293 ( 4.781 0.000 -4.117) 6.309 11.343 ( -2.224 0.000 4.242) 4.790 11.363 ( -0.477 0.000 0.949) 1.062 11.619 ( 0.698 0.000 -0.256) 0.743 11.623 ( 0.524 0.000 -0.878) 1.022 11.678 ( 1.101 0.000 -3.281) 3.461 11.726 ( -5.051 0.000 -1.907) 5.399 11.976 ( -2.668 0.000 0.945) 2.831 11.996 ( -3.001 0.000 -0.022) 3.001 12.068 ( 1.465 0.000 1.795) 2.317 12.128 ( 2.515 0.000 -1.936) 3.174 12.208 ( -0.311 0.000 3.088) 3.104 12.271 ( -1.894 0.000 7.717) 7.946 12.313 ( -0.948 0.000 -1.216) 1.542 12.334 ( 2.174 0.000 0.504) 2.232 12.336 ( 4.647 0.000 1.113) 4.778 12.482 ( -0.491 0.000 -5.452) 5.474 12.528 ( 0.418 0.000 4.354) 4.374 12.608 ( 5.580 0.000 1.212) 5.711 12.612 ( -2.298 0.000 2.054) 3.082 12.626 ( -0.182 0.000 0.572) 0.600 12.665 ( 6.130 0.000 -0.124) 6.131 12.724 ( 5.396 0.000 -1.615) 5.632 12.774 ( -1.455 0.000 1.864) 2.364 12.836 ( 4.294 0.000 0.719) 4.354 12.845 ( -2.899 0.000 -4.809) 5.615 12.890 ( -1.031 0.000 5.690) 5.782 12.892 ( -1.894 0.000 0.486) 1.956 12.944 ( 2.904 0.000 -3.708) 4.710 13.071 ( 0.496 0.000 -3.434) 3.470 13.099 ( -2.278 0.000 -0.743) 2.396 13.100 ( -0.592 0.000 -1.779) 1.875 13.208 ( 1.766 0.000 -1.286) 2.184 13.307 ( 2.585 0.000 -7.527) 7.958 13.338 ( -1.689 0.000 -2.510) 3.025 13.752 ( -0.628 0.000 3.846) 3.897 13.892 ( 2.012 0.000 -6.747) 7.041 13.943 ( 4.561 0.000 -0.279) 4.570 14.034 ( -0.758 0.000 2.689) 2.794 14.099 ( 0.149 0.000 3.151) 3.155 14.183 ( -2.523 0.000 5.311) 5.880 14.250 ( -2.628 0.000 11.152) 11.457 14.310 ( 8.723 0.000 -3.076) 9.250 14.405 ( -0.781 0.000 -4.917) 4.979 14.459 ( -3.491 0.000 -0.281) 3.502 14.562 ( 6.676 0.000 -4.352) 7.969 14.605 ( 2.024 0.000 1.351) 2.433 14.729 ( 0.869 0.000 1.456) 1.695 14.779 ( 0.520 0.000 -4.731) 4.759 14.814 ( -2.116 0.000 0.403) 2.154 14.851 ( -8.704 0.000 4.584) 9.837 ======================= Grid point 99 (52/69) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -3.467 9.644 26.972) 28.854 1.419 ( -0.539 11.952 28.664) 31.061 1.787 ( 2.023 -8.931 3.498) 9.803 1.850 ( 3.013 -0.830 -17.772) 18.045 2.020 ( 2.253 7.695 -19.433) 21.023 2.086 ( 0.882 -16.017 10.009) 18.908 2.103 ( 2.009 -3.382 -10.905) 11.593 2.350 ( -5.048 -2.185 5.135) 7.525 2.415 ( -2.309 7.504 15.186) 17.096 2.486 ( 1.867 7.828 15.576) 17.532 2.592 ( 0.709 0.117 -4.546) 4.603 2.630 ( -1.452 -0.554 -1.053) 1.878 2.728 ( 1.835 -0.235 -5.075) 5.402 2.841 ( 1.988 17.071 2.878) 17.426 2.953 ( -1.194 12.410 -7.835) 14.725 3.165 ( -0.210 5.234 -17.637) 18.398 3.267 ( 1.163 0.697 -2.970) 3.265 3.281 ( -2.464 -6.704 2.824) 7.680 3.354 ( -4.139 -3.566 -2.107) 5.855 3.390 ( -1.231 -14.161 12.304) 18.800 3.418 ( 1.710 -10.088 -2.857) 10.623 3.531 ( -0.675 -3.539 4.738) 5.952 3.556 ( 0.208 -7.205 0.654) 7.238 3.650 ( 0.995 0.876 0.333) 1.367 3.659 ( 2.232 0.235 -1.048) 2.476 3.698 ( -1.324 0.451 0.822) 1.622 3.726 ( -1.128 0.049 -1.591) 1.950 3.769 ( -0.492 1.042 -0.020) 1.153 3.792 ( 1.266 -1.865 0.816) 2.397 3.835 ( 1.784 -1.273 2.572) 3.379 3.867 ( -2.054 0.091 -2.008) 2.874 3.923 ( -1.337 -1.768 -3.875) 4.464 3.967 ( -0.372 -3.928 -1.503) 4.223 4.006 ( 0.581 0.416 -2.451) 2.553 4.034 ( 0.700 -2.502 2.050) 3.310 4.046 ( 1.150 -0.401 5.905) 6.029 4.144 ( -0.130 1.391 -5.896) 6.059 4.156 ( -2.819 -0.353 -2.175) 3.578 4.214 ( 0.537 -3.329 2.017) 3.929 4.246 ( 1.508 -1.045 0.239) 1.850 4.313 ( 0.411 0.730 -0.151) 0.851 4.377 ( -2.434 -0.759 -3.281) 4.155 4.386 ( 0.531 3.468 1.526) 3.825 4.463 ( 1.957 4.667 -3.830) 6.346 4.523 ( -2.892 -1.900 -1.147) 3.646 4.531 ( 4.897 -1.760 -0.385) 5.218 4.572 ( 1.503 -0.093 1.509) 2.132 4.595 ( -2.652 -0.654 -1.789) 3.265 4.636 ( 1.546 2.106 1.221) 2.884 4.702 ( -1.551 3.228 -1.641) 3.939 4.722 ( -1.358 -3.251 -2.265) 4.189 4.734 ( -0.415 1.115 -0.724) 1.392 4.782 ( 0.881 1.508 0.244) 1.763 4.794 ( 0.475 1.628 -0.933) 1.936 4.910 ( 1.374 1.952 3.780) 4.471 4.937 ( -0.497 0.917 0.874) 1.360 4.971 ( -1.285 -0.354 -0.349) 1.378 4.988 ( 0.106 1.348 -1.170) 1.788 5.017 ( -1.298 2.779 0.368) 3.089 5.027 ( 1.578 0.778 -0.106) 1.762 5.111 ( -0.665 3.532 1.035) 3.740 5.130 ( 0.683 2.180 -0.674) 2.382 5.217 ( -0.719 3.634 1.090) 3.861 5.225 ( 1.771 3.350 -0.189) 3.794 5.259 ( 1.951 -1.661 2.383) 3.499 5.279 ( -2.624 -2.127 0.233) 3.385 5.428 ( -1.694 -3.828 2.772) 5.021 5.455 ( 1.695 -4.178 0.720) 4.566 5.528 ( -0.679 -0.179 2.379) 2.480 5.542 ( 0.351 -0.498 1.019) 1.187 5.577 ( -0.060 -0.032 -2.387) 2.388 5.593 ( -0.358 -0.190 -2.386) 2.420 5.932 ( -0.514 2.009 3.132) 3.756 5.992 ( 0.188 0.649 -2.602) 2.689 6.024 ( -0.707 -0.786 0.767) 1.306 6.060 ( 0.570 -1.024 -2.599) 2.851 6.503 ( -0.017 -0.609 0.050) 0.612 6.512 ( -0.587 -1.119 -0.898) 1.550 6.714 ( -3.117 -0.471 0.898) 3.278 6.740 ( 2.439 -0.872 -1.780) 3.143 6.921 ( -1.337 0.496 5.293) 5.481 6.931 ( -3.960 0.496 3.331) 5.198 6.997 ( 4.242 1.903 -2.873) 5.466 7.034 ( 2.603 -0.110 -5.950) 6.495 7.261 ( -1.866 -0.115 1.615) 2.471 7.286 ( 2.065 -0.976 -0.383) 2.316 7.369 ( -2.853 0.609 -0.333) 2.936 7.398 ( 1.820 -0.048 -2.771) 3.315 7.526 ( -0.619 -0.422 -0.509) 0.906 7.529 ( -0.015 -0.276 -0.704) 0.756 7.729 ( -1.878 0.658 3.397) 3.937 7.737 ( -0.958 0.509 3.222) 3.400 7.782 ( 1.279 1.566 -1.470) 2.500 7.808 ( 0.752 0.802 -3.946) 4.096 8.120 ( 0.100 0.145 0.481) 0.512 8.144 ( -0.383 -0.011 -2.056) 2.092 8.269 ( 0.846 -0.161 0.857) 1.215 8.292 ( -2.302 -0.552 -1.586) 2.849 8.352 ( -3.430 -0.748 0.667) 3.573 8.362 ( 4.575 -0.846 0.057) 4.653 8.559 ( 2.419 1.863 1.204) 3.282 8.594 ( -0.247 2.314 -1.747) 2.910 8.650 ( -3.282 0.740 2.312) 4.082 8.659 ( -3.761 0.330 2.679) 4.630 8.693 ( 7.257 1.356 -1.297) 7.496 8.721 ( 3.981 0.498 -2.737) 4.856 8.738 ( -4.025 -0.047 1.457) 4.281 8.782 ( 2.426 -0.950 -1.852) 3.197 8.999 ( -0.900 0.463 0.397) 1.087 9.015 ( -2.709 -0.593 -1.385) 3.100 9.147 ( 1.736 0.618 3.439) 3.901 9.178 ( 0.628 -0.167 1.343) 1.492 9.197 ( 2.194 -0.578 -0.302) 2.288 9.209 ( -1.735 -0.393 -0.149) 1.785 9.339 ( -2.205 -1.506 1.453) 3.040 9.367 ( 2.683 -2.562 -1.317) 3.937 9.529 ( -3.160 2.651 7.361) 8.438 9.586 ( 3.666 -4.707 1.702) 6.204 9.613 ( -0.215 -3.594 -0.009) 3.600 9.675 ( 0.905 -2.060 -4.758) 5.263 9.734 ( 1.868 1.173 3.299) 3.969 9.772 ( -4.755 0.608 0.220) 4.799 9.885 ( 1.311 3.158 1.265) 3.645 9.910 ( -2.744 2.698 -1.216) 4.036 9.960 ( 2.136 1.610 2.777) 3.855 10.039 ( 1.366 -1.501 -3.827) 4.332 10.131 ( 0.879 0.411 -0.178) 0.987 10.168 ( 1.659 0.075 -3.022) 3.448 10.290 ( 0.844 -1.184 -1.326) 1.968 10.322 ( -2.315 -1.956 -3.242) 4.438 10.491 ( -0.593 1.003 0.092) 1.169 10.516 ( -2.222 0.765 -2.520) 3.446 10.851 ( -0.476 0.794 1.338) 1.627 10.875 ( 0.433 -0.014 -0.733) 0.851 10.895 ( -0.407 1.726 -0.100) 1.776 10.904 ( 1.575 1.297 -0.413) 2.081 10.936 ( 4.636 -0.191 1.517) 4.881 10.990 ( -2.855 1.442 -2.334) 3.960 11.047 ( -2.050 -3.743 3.108) 5.279 11.101 ( -0.037 -2.784 -1.529) 3.177 11.246 ( -7.333 2.233 7.381) 10.641 11.331 ( 0.366 -1.066 0.556) 1.257 11.356 ( -1.019 0.659 2.374) 2.666 11.375 ( -0.040 -0.728 1.025) 1.258 11.636 ( 2.557 0.329 -1.575) 3.021 11.646 ( 1.931 0.451 -2.026) 2.835 11.656 ( 0.847 0.318 -2.543) 2.699 11.682 ( 3.314 -0.588 -3.648) 4.964 11.951 ( -1.102 0.543 2.330) 2.634 11.965 ( -1.788 0.694 1.323) 2.330 12.081 ( 2.397 -2.004 -0.206) 3.131 12.101 ( -0.079 -2.835 -0.774) 2.940 12.216 ( 0.055 -1.090 1.183) 1.610 12.239 ( 0.489 -2.154 -1.308) 2.567 12.380 ( 0.587 2.294 2.907) 3.749 12.390 ( -1.462 4.013 0.657) 4.321 12.411 ( 0.338 1.850 0.056) 1.882 12.444 ( 0.450 1.293 -4.462) 4.667 12.577 ( 0.863 0.140 2.327) 2.486 12.591 ( 0.523 -1.022 1.133) 1.613 12.625 ( -1.179 -0.157 2.253) 2.548 12.693 ( -3.144 -2.260 -1.094) 4.024 12.716 ( 0.290 1.151 1.921) 2.259 12.746 ( 0.403 0.248 1.117) 1.213 12.796 ( -2.457 0.555 -0.099) 2.521 12.799 ( 1.883 -0.074 -1.152) 2.209 12.835 ( -1.127 1.458 2.812) 3.362 12.879 ( -1.209 -1.010 2.811) 3.222 12.927 ( 2.319 0.535 -0.918) 2.550 12.932 ( 0.439 0.159 -6.015) 6.033 13.055 ( 0.437 -1.306 -0.981) 1.691 13.068 ( 1.008 -1.566 -1.414) 2.339 13.131 ( 4.202 1.245 1.472) 4.623 13.191 ( -0.334 -0.002 -3.702) 3.717 13.273 ( 2.796 0.174 -3.997) 4.881 13.313 ( -0.483 0.227 -7.345) 7.364 13.765 ( -0.770 0.358 3.454) 3.557 13.839 ( 0.140 -2.525 -3.895) 4.644 13.977 ( -4.695 0.922 3.530) 5.946 14.004 ( 0.644 -0.435 1.219) 1.446 14.131 ( -4.982 -1.100 6.696) 8.418 14.154 ( -0.748 -1.231 4.866) 5.075 14.307 ( -3.636 4.177 4.481) 7.124 14.367 ( 0.100 -0.272 -4.186) 4.196 14.402 ( 2.617 0.398 -3.285) 4.219 14.418 ( 3.842 0.920 -1.660) 4.285 14.608 ( -3.576 -1.038 0.980) 3.851 14.626 ( 1.589 -1.507 -0.763) 2.319 14.751 ( -2.226 0.475 1.835) 2.924 14.767 ( -0.259 0.105 -0.343) 0.443 14.772 ( -1.411 0.336 0.254) 1.473 14.805 ( 6.826 -1.174 -2.328) 7.307 ======================= Grid point 100 (53/69) ======================= q-point: ( 0.11 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 5.385 10.381 19.576) 22.803 1.727 ( 8.508 11.212 23.038) 26.997 1.785 ( 10.604 4.870 -22.209) 25.088 1.813 ( 11.929 3.818 -21.161) 24.590 2.052 ( 7.819 -5.388 -5.007) 10.734 2.086 ( 8.826 -5.055 -3.013) 10.608 2.280 ( 6.820 -13.639 -9.376) 17.901 2.312 ( 8.795 -15.694 13.230) 22.331 2.542 ( 3.264 0.981 6.231) 7.102 2.562 ( 2.988 1.094 -5.924) 6.724 2.648 ( 1.327 1.503 5.472) 5.827 2.682 ( 3.349 -1.383 -0.754) 3.701 2.863 ( 4.165 13.155 1.428) 13.872 2.940 ( 7.186 11.767 13.926) 19.597 2.956 ( 6.426 14.233 11.657) 19.487 3.016 ( 11.759 12.470 -30.825) 35.270 3.224 ( -2.412 2.560 -0.938) 3.640 3.309 ( 0.122 -3.867 3.415) 5.161 3.319 ( -0.661 -4.485 4.035) 6.069 3.443 ( 1.712 -5.862 -1.013) 6.190 3.473 ( -1.423 -7.758 8.089) 11.298 3.498 ( -1.009 -7.474 -4.139) 8.603 3.587 ( -4.820 0.938 -2.034) 5.315 3.606 ( 0.677 -3.485 3.396) 4.913 3.677 ( -1.285 -1.550 3.021) 3.630 3.695 ( 1.147 -3.295 -0.945) 3.615 3.740 ( 1.566 -2.806 2.344) 3.978 3.781 ( 3.516 -4.106 -3.827) 6.623 3.793 ( -0.900 -0.638 -3.416) 3.590 3.825 ( -0.534 -2.217 -0.149) 2.285 3.869 ( -1.230 -0.125 1.576) 2.003 3.906 ( -1.138 -0.864 3.352) 3.644 3.923 ( -0.563 -2.824 -0.007) 2.880 3.999 ( -0.144 -3.999 -1.557) 4.294 4.052 ( -3.908 2.008 -2.994) 5.316 4.059 ( -0.900 0.510 -0.711) 1.256 4.102 ( -1.181 0.367 0.582) 1.367 4.123 ( -0.368 0.005 3.601) 3.620 4.181 ( -3.826 -2.620 -0.322) 4.648 4.242 ( 0.898 0.646 -1.531) 1.889 4.305 ( -2.307 -1.861 -1.373) 3.267 4.342 ( -1.075 -2.553 1.821) 3.315 4.374 ( -2.750 4.994 -2.154) 6.094 4.445 ( -0.621 -2.733 2.068) 3.483 4.469 ( -2.880 0.455 -1.679) 3.365 4.516 ( -2.689 -0.947 -2.975) 4.121 4.567 ( -1.257 1.799 -1.306) 2.554 4.599 ( -1.498 -4.622 3.791) 6.162 4.625 ( -1.378 2.001 -2.774) 3.687 4.648 ( -0.980 2.646 -1.032) 3.004 4.722 ( 0.447 2.956 1.632) 3.406 4.751 ( 1.426 1.661 0.940) 2.382 4.766 ( -1.620 1.763 0.619) 2.473 4.798 ( 0.576 1.439 -0.651) 1.681 4.891 ( -4.657 -0.273 1.147) 4.804 4.921 ( -1.206 0.364 -1.397) 1.881 4.948 ( -1.322 1.135 -0.403) 1.789 4.990 ( 1.480 0.177 0.686) 1.641 5.021 ( -1.525 1.329 -0.300) 2.044 5.048 ( 1.197 5.138 0.549) 5.304 5.107 ( 0.196 1.862 0.024) 1.873 5.143 ( 1.327 3.958 -0.237) 4.181 5.177 ( -1.150 0.562 -0.661) 1.441 5.235 ( -1.384 -2.041 -0.160) 2.471 5.293 ( 2.397 1.568 0.101) 2.867 5.314 ( 1.534 1.211 0.412) 1.998 5.416 ( -1.527 -3.650 1.144) 4.119 5.491 ( -2.128 -1.128 1.636) 2.912 5.507 ( 1.968 -2.086 -1.613) 3.290 5.542 ( -1.870 -1.266 -0.568) 2.329 5.559 ( -0.457 -0.240 0.809) 0.959 5.583 ( 0.878 -0.565 0.132) 1.052 5.971 ( 1.938 0.807 2.137) 2.996 5.997 ( 2.616 1.166 -1.442) 3.207 6.035 ( 1.099 -0.542 1.284) 1.775 6.065 ( 1.822 -0.523 -1.267) 2.280 6.488 ( -1.721 -0.433 0.380) 1.815 6.501 ( -0.881 -0.447 0.537) 1.124 6.612 ( -7.312 2.434 1.274) 7.811 6.743 ( -2.334 -5.109 -0.601) 5.649 6.868 ( -4.314 1.424 2.690) 5.279 6.931 ( -3.130 -1.324 1.336) 3.651 6.996 ( 0.796 1.869 -2.983) 3.610 7.071 ( 4.012 0.022 -4.782) 6.242 7.234 ( -1.547 1.554 1.669) 2.756 7.320 ( -2.852 2.134 1.164) 3.747 7.347 ( 4.338 -2.050 -0.083) 4.799 7.441 ( 4.222 -1.968 -0.779) 4.723 7.542 ( 2.042 -0.156 0.577) 2.128 7.549 ( 2.093 -0.324 0.069) 2.119 7.707 ( -3.255 1.451 2.935) 4.617 7.750 ( -1.195 -0.116 1.825) 2.185 7.769 ( -0.792 1.901 -1.669) 2.651 7.800 ( 1.806 0.208 -1.804) 2.561 8.125 ( -0.439 0.261 -0.754) 0.911 8.137 ( 0.915 0.123 1.302) 1.596 8.220 ( -3.624 0.236 0.886) 3.739 8.271 ( -2.491 -2.379 0.951) 3.574 8.304 ( -2.406 2.138 0.183) 3.224 8.406 ( -2.522 -2.589 -1.698) 3.993 8.465 ( -7.230 2.990 -3.346) 8.509 8.524 ( -6.118 -1.312 0.842) 6.313 8.586 ( -6.096 2.649 2.068) 6.961 8.593 ( -1.785 2.837 0.029) 3.352 8.653 ( -1.694 0.524 0.075) 1.775 8.751 ( 1.990 -2.132 -2.120) 3.605 8.815 ( 4.834 0.250 0.320) 4.851 8.859 ( 6.381 -0.733 -2.326) 6.831 8.998 ( -0.084 0.640 3.207) 3.271 9.014 ( -0.650 0.313 2.729) 2.823 9.147 ( -1.602 0.823 -4.179) 4.550 9.152 ( -2.119 -0.068 -2.680) 3.417 9.181 ( -3.826 -0.052 2.248) 4.438 9.237 ( -6.234 -3.065 0.114) 6.948 9.270 ( 1.107 0.225 0.018) 1.129 9.329 ( -3.754 -2.681 -1.341) 4.804 9.422 ( -6.424 1.161 0.669) 6.562 9.562 ( -2.399 2.235 -1.612) 3.654 9.628 ( -2.522 -3.282 -0.834) 4.223 9.727 ( -0.239 -0.012 -0.716) 0.755 9.745 ( 5.249 1.583 4.051) 6.817 9.835 ( -0.462 0.334 1.541) 1.643 9.939 ( 0.684 -0.125 0.941) 1.170 9.967 ( 9.268 -3.460 -1.531) 10.011 10.040 ( 4.027 0.890 0.266) 4.133 10.079 ( 10.317 -0.016 -3.775) 10.986 10.176 ( 4.212 0.784 -1.337) 4.488 10.200 ( 7.481 0.463 -3.001) 8.074 10.294 ( 1.799 0.463 0.271) 1.877 10.360 ( 6.651 -2.369 1.906) 7.313 10.517 ( 3.678 1.008 1.927) 4.273 10.556 ( 4.914 -0.601 1.998) 5.339 10.823 ( -4.484 -0.300 -0.046) 4.494 10.840 ( -4.281 -0.551 -0.209) 4.321 10.871 ( -0.814 0.215 -0.925) 1.251 10.898 ( 0.115 -0.412 -0.608) 0.743 10.938 ( 0.816 3.947 -1.949) 4.477 11.034 ( 2.591 0.582 0.651) 2.734 11.071 ( 1.068 -1.146 3.707) 4.025 11.097 ( 1.096 -2.541 -0.577) 2.827 11.177 ( -7.295 3.478 6.388) 10.302 11.316 ( -2.125 -1.769 0.246) 2.776 11.357 ( -0.909 0.359 2.238) 2.442 11.368 ( -2.178 -0.871 2.644) 3.534 11.664 ( 2.936 0.723 -1.779) 3.509 11.667 ( 3.157 0.463 -3.883) 5.026 11.692 ( 6.119 0.374 -5.825) 8.456 11.726 ( 4.665 -0.723 -2.174) 5.197 11.957 ( -0.977 0.624 2.440) 2.701 11.966 ( -0.050 0.946 2.941) 3.090 12.085 ( 0.672 -1.996 -2.680) 3.408 12.121 ( 2.303 -2.259 -1.303) 3.479 12.228 ( 0.299 -1.852 -0.127) 1.880 12.240 ( 0.829 -2.190 -0.671) 2.436 12.353 ( -3.086 0.961 -0.160) 3.236 12.372 ( -2.906 1.689 -0.067) 3.362 12.400 ( -1.312 3.612 0.465) 3.871 12.430 ( 0.562 2.505 0.401) 2.598 12.577 ( -1.639 -0.329 -0.502) 1.745 12.593 ( -5.186 -1.420 2.978) 6.146 12.631 ( 1.051 0.026 0.903) 1.386 12.644 ( -1.432 -0.539 -1.301) 2.008 12.676 ( -4.845 0.684 1.529) 5.126 12.686 ( -6.388 0.763 0.773) 6.479 12.794 ( 0.740 0.174 0.609) 0.974 12.818 ( -0.427 0.073 -0.504) 0.665 12.836 ( -0.497 -0.532 3.291) 3.370 12.863 ( 0.039 -0.810 -1.269) 1.506 12.913 ( 1.839 1.350 -2.378) 3.295 12.971 ( 3.565 -0.923 -2.550) 4.479 13.060 ( 0.620 -0.013 -1.094) 1.258 13.098 ( 2.360 -1.354 0.388) 2.748 13.123 ( -1.182 1.096 -5.233) 5.475 13.193 ( 1.211 -1.319 -1.600) 2.401 13.258 ( 2.543 1.847 -4.475) 5.468 13.339 ( 4.363 -0.523 -1.191) 4.553 13.763 ( -3.253 -0.496 2.239) 3.980 13.803 ( -1.373 -2.317 0.898) 2.839 13.941 ( -2.562 4.130 2.744) 5.582 14.039 ( 1.485 -1.737 1.891) 2.966 14.081 ( -5.255 0.388 4.868) 7.174 14.158 ( -6.047 -2.081 6.362) 9.021 14.240 ( -5.725 3.035 3.200) 7.227 14.333 ( -0.265 -2.737 -3.582) 4.516 14.439 ( 0.547 0.908 0.813) 1.336 14.489 ( 5.421 0.832 -2.530) 6.040 14.504 ( -5.310 1.178 0.422) 5.455 14.616 ( -0.652 -2.376 -2.518) 3.523 14.721 ( -2.681 0.677 1.190) 3.010 14.743 ( -0.296 -0.664 0.831) 1.104 14.825 ( 4.274 2.392 -0.646) 4.941 14.923 ( 8.318 -2.112 -3.596) 9.305 ======================= Grid point 101 (54/69) ======================= q-point: ( 0.22 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 10.950 6.090 -12.337) 17.584 1.847 ( 12.713 6.918 -13.146) 19.552 1.924 ( 14.353 10.714 -2.831) 18.133 2.119 ( 12.714 -6.867 -8.149) 16.590 2.153 ( 14.765 6.157 15.085) 21.988 2.283 ( 11.486 -5.522 -0.822) 12.771 2.413 ( 14.549 -9.286 -5.466) 18.105 2.563 ( 6.059 -1.126 -0.476) 6.181 2.601 ( 1.732 -1.711 3.125) 3.962 2.643 ( 9.781 -3.562 4.750) 11.442 2.713 ( 2.602 -5.565 5.951) 8.553 2.824 ( 9.026 -4.789 6.379) 12.045 2.911 ( 5.987 13.408 -3.874) 15.186 3.044 ( 15.121 10.243 -17.357) 25.196 3.080 ( 7.614 7.512 -0.723) 10.720 3.207 ( 2.902 5.799 0.871) 6.543 3.272 ( 0.338 -1.097 1.891) 2.212 3.362 ( 1.019 -0.842 3.271) 3.528 3.377 ( 1.374 0.904 9.322) 9.467 3.412 ( 0.242 -0.324 -4.858) 4.875 3.477 ( -3.517 -2.996 -1.438) 4.839 3.491 ( -0.630 1.179 2.638) 2.957 3.508 ( 2.244 -4.372 3.128) 5.825 3.598 ( -1.551 1.054 -1.658) 2.503 3.655 ( -4.008 0.776 2.346) 4.709 3.699 ( -0.951 -1.306 0.982) 1.890 3.746 ( -0.432 -3.996 1.117) 4.171 3.766 ( -2.398 -6.139 1.090) 6.680 3.812 ( 4.392 -7.292 -5.579) 10.178 3.853 ( 1.009 0.239 1.466) 1.795 3.883 ( 0.928 -4.439 3.657) 5.826 3.903 ( -1.801 -0.770 2.815) 3.430 3.923 ( -3.161 1.609 2.588) 4.391 3.935 ( -4.010 -2.466 0.082) 4.708 3.996 ( -1.337 1.030 -1.434) 2.214 4.004 ( -3.452 -0.440 0.418) 3.505 4.082 ( -1.728 0.263 1.399) 2.239 4.124 ( 2.736 2.379 -0.200) 3.631 4.163 ( 1.640 -6.371 -1.928) 6.855 4.222 ( -2.220 -2.722 -3.053) 4.654 4.249 ( -2.903 0.009 -3.455) 4.512 4.295 ( -2.759 -1.234 -1.483) 3.367 4.334 ( -2.065 1.358 4.341) 4.995 4.387 ( -3.901 -0.530 -0.365) 3.953 4.422 ( -6.652 -2.017 -0.242) 6.955 4.491 ( 1.633 -3.374 3.298) 4.993 4.519 ( -2.458 1.575 -1.654) 3.355 4.571 ( -0.349 -1.071 1.211) 1.654 4.586 ( -1.965 3.396 -1.354) 4.151 4.649 ( -1.310 0.485 1.232) 1.862 4.719 ( -1.802 4.538 -2.004) 5.278 4.750 ( 0.224 -0.184 -0.118) 0.313 4.778 ( -2.236 5.963 1.780) 6.612 4.791 ( -1.716 2.696 2.461) 4.034 4.835 ( -0.138 -1.593 -0.598) 1.707 4.906 ( -0.177 -1.575 -0.151) 1.592 4.928 ( -0.331 0.969 -1.403) 1.737 4.963 ( -2.977 0.620 1.047) 3.216 5.008 ( 1.164 1.515 -1.656) 2.528 5.073 ( 0.513 4.997 0.821) 5.090 5.127 ( 1.487 0.835 1.318) 2.156 5.135 ( -1.908 2.661 -0.195) 3.280 5.172 ( 0.176 -1.585 -1.037) 1.902 5.228 ( 0.696 -1.139 -0.240) 1.356 5.263 ( -4.837 0.361 0.549) 4.881 5.343 ( 0.799 1.851 -0.089) 2.019 5.401 ( -0.456 -2.626 -0.358) 2.690 5.433 ( -3.690 -0.186 0.062) 3.695 5.503 ( -1.086 -0.304 -0.173) 1.141 5.558 ( 2.547 -1.594 -0.502) 3.047 5.564 ( 0.771 -1.000 -0.510) 1.361 5.598 ( 0.439 -1.081 0.199) 1.184 6.024 ( 3.817 0.622 -1.216) 4.054 6.053 ( 3.136 -0.352 1.334) 3.426 6.082 ( 3.234 0.413 0.365) 3.281 6.101 ( 2.497 0.116 1.356) 2.844 6.447 ( -3.968 0.264 1.188) 4.150 6.476 ( -3.645 -0.458 1.361) 3.917 6.509 ( -4.535 3.155 0.429) 5.541 6.674 ( -3.847 -5.370 -1.440) 6.761 6.804 ( -5.392 0.869 0.904) 5.536 6.844 ( -4.434 -0.782 -3.400) 5.642 7.000 ( 0.572 0.215 0.603) 0.858 7.072 ( 1.613 -2.024 -3.575) 4.414 7.250 ( 0.394 3.289 2.860) 4.376 7.279 ( -3.428 3.339 2.012) 5.192 7.426 ( 4.425 -1.359 0.019) 4.629 7.509 ( 3.606 -2.953 -1.207) 4.815 7.562 ( -0.870 -0.620 1.178) 1.590 7.585 ( -0.171 -0.931 1.177) 1.510 7.671 ( -1.963 3.310 -0.645) 3.902 7.717 ( -0.373 0.786 0.427) 0.969 7.786 ( 1.355 -0.243 0.084) 1.379 7.811 ( 1.790 -1.166 -2.982) 3.669 8.091 ( -2.581 0.894 -0.501) 2.777 8.183 ( -0.408 -1.690 0.949) 1.981 8.203 ( -4.610 1.893 1.556) 5.221 8.206 ( -3.184 0.245 0.882) 3.314 8.246 ( 1.592 -0.263 3.608) 3.952 8.305 ( -2.897 -1.712 -1.353) 3.627 8.357 ( -3.831 4.933 -0.565) 6.271 8.499 ( -2.154 4.210 0.459) 4.752 8.524 ( -0.032 -2.572 0.558) 2.631 8.580 ( -0.903 2.158 1.907) 3.018 8.654 ( 0.863 -0.848 1.835) 2.198 8.735 ( -2.002 -4.576 -2.339) 5.515 8.882 ( 0.138 -0.058 0.524) 0.545 8.893 ( -8.402 1.761 -0.274) 8.589 8.926 ( 0.471 -0.584 -1.987) 2.124 9.016 ( -10.650 -3.396 -0.390) 11.185 9.053 ( -5.260 1.161 -0.079) 5.388 9.088 ( -3.227 0.464 -0.421) 3.288 9.131 ( 5.388 1.319 -0.142) 5.549 9.148 ( 2.610 1.430 -1.975) 3.572 9.245 ( -2.453 1.159 -1.798) 3.255 9.325 ( -1.286 -3.152 0.540) 3.446 9.411 ( 2.775 -0.467 0.923) 2.962 9.494 ( -3.742 -4.560 -5.011) 7.740 9.569 ( -0.479 4.157 1.492) 4.443 9.682 ( -3.371 0.043 -0.055) 3.372 9.830 ( 1.100 2.949 0.376) 3.169 9.871 ( 3.899 0.578 3.952) 5.582 9.928 ( -1.304 -1.752 0.937) 2.376 10.057 ( 2.179 -5.216 -0.461) 5.672 10.094 ( 2.446 3.006 0.257) 3.884 10.217 ( 5.846 -2.034 -1.344) 6.333 10.221 ( 1.856 2.834 -1.160) 3.581 10.322 ( 7.176 -1.679 -1.226) 7.471 10.458 ( 13.898 2.345 0.654) 14.109 10.560 ( 13.517 -1.880 0.633) 13.661 10.606 ( 1.771 -1.043 0.547) 2.127 10.622 ( -0.378 -1.740 -0.899) 1.995 10.753 ( -0.365 1.142 1.490) 1.912 10.801 ( -0.026 -0.789 1.668) 1.845 10.849 ( -1.064 0.167 -0.543) 1.206 10.884 ( -1.958 -1.267 2.155) 3.175 10.971 ( 3.573 3.282 0.522) 4.880 11.051 ( 0.208 4.620 -2.017) 5.045 11.098 ( 0.125 -1.567 -0.592) 1.680 11.121 ( -0.784 -0.108 1.058) 1.321 11.134 ( -1.617 0.265 6.283) 6.493 11.258 ( -4.770 -3.289 0.940) 5.870 11.376 ( 2.297 0.558 0.842) 2.509 11.385 ( 1.791 0.370 1.756) 2.536 11.688 ( 3.647 0.762 -4.350) 5.727 11.705 ( 3.109 0.381 -1.872) 3.649 11.755 ( 7.391 0.528 -6.173) 9.644 11.795 ( 4.183 -0.492 0.182) 4.215 11.970 ( -0.970 -0.111 3.896) 4.016 11.995 ( 0.375 -0.571 2.804) 2.886 12.080 ( 1.752 -0.461 -3.105) 3.595 12.138 ( 1.459 -0.288 -2.578) 2.976 12.213 ( -1.925 -1.153 -0.865) 2.404 12.237 ( -1.699 -2.480 -0.780) 3.105 12.299 ( -1.026 -0.839 -1.758) 2.202 12.317 ( -2.098 0.347 -0.720) 2.245 12.372 ( -2.265 3.068 -0.011) 3.814 12.456 ( -1.994 0.408 3.059) 3.674 12.491 ( -6.031 1.228 0.203) 6.158 12.516 ( -6.247 0.937 2.097) 6.656 12.538 ( -7.423 -0.053 0.624) 7.449 12.598 ( -2.882 -1.238 1.292) 3.392 12.648 ( 0.485 1.769 -0.731) 1.974 12.689 ( 2.674 -0.502 -1.521) 3.117 12.754 ( -1.764 0.912 -0.451) 2.037 12.824 ( -0.791 -0.386 0.653) 1.096 12.851 ( -0.281 -0.953 -1.468) 1.773 12.877 ( 2.248 -0.346 -0.094) 2.276 12.932 ( 1.737 0.694 -2.354) 3.007 13.008 ( 4.266 -1.169 -3.817) 5.842 13.053 ( -0.205 -0.348 0.064) 0.409 13.070 ( 0.037 0.490 -3.310) 3.347 13.140 ( 0.794 -0.975 0.876) 1.532 13.198 ( 1.957 -2.021 -0.961) 2.972 13.262 ( 0.974 3.474 -2.733) 4.526 13.391 ( 1.955 -0.140 0.107) 1.963 13.697 ( -5.671 -0.788 2.349) 6.188 13.813 ( -1.132 -3.648 3.987) 5.521 13.913 ( -1.606 6.286 -1.685) 6.703 14.039 ( -5.793 0.629 2.934) 6.524 14.058 ( -2.445 -1.829 0.852) 3.170 14.086 ( -4.087 0.616 5.023) 6.505 14.192 ( -3.428 0.666 4.415) 5.630 14.244 ( -6.577 -2.724 -1.064) 7.198 14.439 ( 0.802 -0.249 1.056) 1.349 14.492 ( -0.021 -0.862 2.543) 2.685 14.531 ( 1.709 1.335 -5.130) 5.570 14.578 ( 0.467 -1.479 -3.730) 4.040 14.716 ( -0.372 1.019 5.096) 5.211 14.758 ( 1.400 -1.076 -0.314) 1.793 14.885 ( 3.564 3.657 -1.709) 5.385 15.015 ( 6.282 -2.435 -4.384) 8.039 ======================= Grid point 102 (55/69) ======================= q-point: ( 0.33 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 12.317 6.169 -5.669) 14.897 1.975 ( 12.895 6.180 -9.179) 16.992 2.149 ( 16.235 10.980 -6.435) 20.629 2.254 ( 11.330 -3.592 -6.489) 13.542 2.470 ( 11.263 -5.658 -1.768) 12.728 2.551 ( 10.811 4.123 9.720) 15.112 2.582 ( 9.674 -2.619 -3.905) 10.756 2.627 ( 9.047 0.664 -0.179) 9.073 2.690 ( 7.912 -0.659 -2.103) 8.213 2.820 ( 5.532 -1.882 4.911) 7.633 2.896 ( 5.239 -9.863 9.780) 14.845 2.985 ( 3.368 7.517 -0.730) 8.270 3.019 ( 3.521 -2.142 4.585) 6.165 3.118 ( 1.710 0.260 -4.655) 4.966 3.176 ( 0.863 -0.792 0.621) 1.326 3.191 ( 1.105 2.961 -6.988) 7.670 3.250 ( -1.576 1.231 1.452) 2.471 3.354 ( -4.112 -2.683 -2.165) 5.366 3.364 ( 1.306 0.065 -0.513) 1.404 3.408 ( -1.406 1.939 -2.765) 3.659 3.412 ( -2.185 -5.051 3.806) 6.692 3.545 ( 1.735 2.369 -2.251) 3.700 3.560 ( 7.352 2.751 -1.416) 7.976 3.585 ( 0.175 -0.086 1.435) 1.448 3.615 ( -1.704 2.397 1.643) 3.368 3.682 ( -1.655 -3.454 -1.489) 4.110 3.707 ( -4.006 -2.396 2.304) 5.205 3.759 ( -2.556 -4.152 -0.757) 4.934 3.805 ( -3.060 1.201 0.859) 3.398 3.815 ( -2.175 -0.292 -1.314) 2.558 3.884 ( 0.114 1.085 -2.100) 2.366 3.906 ( -1.789 -0.080 2.314) 2.926 3.927 ( 0.729 0.012 0.937) 1.187 3.961 ( 0.757 -3.990 0.492) 4.090 3.982 ( 2.774 2.095 3.755) 5.117 4.020 ( 0.770 -0.631 4.653) 4.759 4.091 ( 1.328 1.373 3.784) 4.239 4.099 ( -4.331 2.225 -4.371) 6.543 4.169 ( -1.400 -5.273 0.052) 5.455 4.197 ( 4.666 -4.535 -4.822) 8.099 4.211 ( 2.185 -2.507 -5.450) 6.384 4.276 ( 3.805 -1.828 -0.369) 4.238 4.300 ( -2.666 -2.299 0.012) 3.521 4.340 ( -2.768 -3.047 1.243) 4.300 4.351 ( -1.494 3.384 0.765) 3.777 4.479 ( -0.993 1.523 3.145) 3.632 4.519 ( 0.176 -1.237 -5.016) 5.169 4.547 ( -2.643 -1.543 2.376) 3.874 4.580 ( -3.896 1.173 1.752) 4.430 4.636 ( -3.044 0.093 3.922) 4.965 4.652 ( -1.560 2.782 1.148) 3.390 4.681 ( -5.942 3.210 -0.017) 6.753 4.739 ( -1.256 2.560 -1.459) 3.203 4.823 ( 2.565 3.522 2.393) 4.971 4.861 ( 0.544 -0.716 -3.816) 3.920 4.886 ( -0.990 0.411 1.691) 2.002 4.895 ( -0.111 1.109 1.103) 1.568 4.985 ( 1.257 1.396 1.429) 2.360 5.017 ( 0.866 -1.969 -0.131) 2.155 5.068 ( -2.420 2.607 0.609) 3.609 5.102 ( -1.046 1.471 0.241) 1.821 5.136 ( -3.976 -0.508 0.916) 4.111 5.165 ( 0.142 0.391 2.776) 2.807 5.199 ( -1.247 0.695 0.893) 1.684 5.239 ( 0.144 1.899 -0.310) 1.930 5.328 ( -1.356 -2.186 -0.719) 2.671 5.383 ( -2.106 -1.440 1.073) 2.767 5.394 ( 0.613 -1.422 -2.894) 3.283 5.498 ( 0.016 1.214 -0.357) 1.265 5.551 ( -1.147 0.211 -0.488) 1.265 5.582 ( 0.323 -1.358 -0.649) 1.540 5.614 ( 2.128 -1.273 -1.637) 2.971 6.080 ( 3.784 0.613 -1.044) 3.973 6.108 ( 2.955 -0.728 -0.522) 3.088 6.151 ( 3.240 0.605 0.873) 3.410 6.170 ( 3.522 -0.377 1.463) 3.833 6.383 ( -4.370 0.575 2.795) 5.219 6.404 ( -5.277 -0.359 1.978) 5.647 6.463 ( -1.588 2.617 -0.652) 3.130 6.593 ( -3.133 -3.344 -3.042) 5.500 6.713 ( -5.286 0.385 0.685) 5.344 6.745 ( -2.933 -1.033 -3.872) 4.966 7.027 ( 0.846 0.291 2.568) 2.720 7.083 ( 2.181 -2.012 -1.626) 3.383 7.246 ( -1.623 3.234 1.992) 4.130 7.294 ( 1.156 2.386 3.721) 4.569 7.465 ( -5.002 -1.596 -1.223) 5.391 7.494 ( 1.031 -1.828 0.094) 2.101 7.543 ( -0.709 0.391 1.258) 1.496 7.590 ( -2.388 -0.656 1.534) 2.913 7.639 ( 1.763 1.601 -4.348) 4.958 7.721 ( -1.016 -2.054 -1.713) 2.862 7.808 ( 2.564 0.211 -1.751) 3.112 7.842 ( 5.654 -1.503 -2.343) 6.302 8.055 ( -1.100 2.033 -0.397) 2.346 8.095 ( -3.044 0.702 1.200) 3.347 8.163 ( -1.748 0.847 -0.013) 1.943 8.225 ( -3.883 1.378 -1.372) 4.343 8.268 ( 2.095 0.486 3.391) 4.016 8.311 ( -2.511 2.780 0.036) 3.746 8.352 ( 4.000 -0.861 2.978) 5.061 8.460 ( -2.642 5.245 0.532) 5.897 8.524 ( -1.326 -4.384 -1.592) 4.849 8.602 ( 0.032 1.069 3.410) 3.574 8.632 ( -5.796 -1.478 -0.431) 5.997 8.692 ( -1.277 -1.323 -0.197) 1.849 8.745 ( -2.690 0.189 4.366) 5.131 8.832 ( -6.498 -3.581 2.792) 7.927 8.853 ( -4.575 0.969 0.833) 4.750 8.908 ( -6.516 -1.548 -0.512) 6.717 8.998 ( 1.270 2.797 -3.329) 4.530 9.067 ( 2.530 -1.085 -4.807) 5.539 9.119 ( -1.408 1.518 -3.139) 3.760 9.188 ( -3.193 -1.457 -1.428) 3.789 9.238 ( 1.835 -1.134 -2.212) 3.090 9.279 ( 0.662 -1.707 -1.631) 2.452 9.427 ( 0.643 1.791 -1.143) 2.220 9.472 ( 2.684 1.416 -0.038) 3.035 9.606 ( 0.245 -0.310 2.846) 2.873 9.641 ( -1.220 0.164 1.819) 2.197 9.846 ( -0.078 2.217 -0.171) 2.225 9.941 ( 1.067 -3.401 4.199) 5.507 9.975 ( 2.179 0.293 4.657) 5.150 10.059 ( 0.268 -1.667 -1.941) 2.573 10.155 ( 3.136 1.665 2.077) 4.114 10.213 ( 1.990 0.750 -2.222) 3.075 10.314 ( 3.146 1.559 3.231) 4.771 10.401 ( 1.987 -1.828 0.612) 2.768 10.545 ( -2.856 -0.423 -0.603) 2.949 10.583 ( -2.779 -1.300 0.439) 3.100 10.680 ( 9.691 1.645 -1.430) 9.933 10.765 ( 5.496 -2.787 -1.326) 6.303 10.772 ( -0.136 0.435 0.846) 0.961 10.830 ( 1.023 -1.137 -0.195) 1.542 10.850 ( 2.265 1.771 0.096) 2.877 10.917 ( 3.974 -1.237 2.555) 4.884 11.009 ( 1.707 3.971 -4.331) 6.119 11.055 ( 0.722 1.376 3.523) 3.851 11.095 ( -2.182 -0.373 1.909) 2.923 11.119 ( 1.556 -0.026 -0.913) 1.804 11.170 ( -0.314 -1.147 3.698) 3.884 11.198 ( -2.143 -1.301 2.026) 3.224 11.444 ( 4.897 0.138 -1.212) 5.047 11.449 ( 5.136 0.125 -1.769) 5.434 11.717 ( 3.640 0.653 -3.525) 5.109 11.741 ( 2.922 -0.459 -1.057) 3.141 11.845 ( 8.297 1.106 -4.535) 9.520 11.885 ( 4.889 -0.090 2.550) 5.515 11.985 ( -1.274 -0.381 3.889) 4.110 12.019 ( -0.635 -1.149 2.551) 2.869 12.087 ( 0.805 0.958 -1.712) 2.120 12.125 ( -0.039 0.882 -3.329) 3.444 12.141 ( -4.909 0.201 -0.131) 4.914 12.166 ( -4.577 -0.415 -2.434) 5.201 12.271 ( -3.016 -2.360 0.081) 3.831 12.278 ( -3.425 -2.740 -2.416) 5.008 12.328 ( -2.382 1.600 0.582) 2.928 12.361 ( -7.159 0.886 1.939) 7.470 12.372 ( -3.009 1.943 -1.813) 4.015 12.438 ( -2.196 -1.349 -1.261) 2.869 12.543 ( -4.856 0.402 3.544) 6.025 12.549 ( 1.575 0.505 2.025) 2.615 12.660 ( 2.095 1.204 -1.329) 2.758 12.706 ( 0.003 -1.049 0.408) 1.125 12.759 ( 2.003 0.114 -1.780) 2.682 12.803 ( -1.679 -0.890 -0.062) 1.902 12.814 ( -1.208 1.568 -2.290) 3.026 12.907 ( 1.534 1.799 -1.653) 2.885 12.934 ( 2.478 -1.130 -4.336) 5.120 13.019 ( -0.084 -1.733 -2.151) 2.764 13.064 ( 1.389 -1.483 -2.137) 2.949 13.086 ( 3.153 -2.122 0.021) 3.801 13.152 ( 1.323 2.318 2.029) 3.352 13.246 ( 1.971 -2.265 0.324) 3.020 13.272 ( 2.136 3.982 2.581) 5.204 13.416 ( 0.586 0.463 1.385) 1.574 13.615 ( -6.248 -0.748 2.679) 6.839 13.790 ( -4.651 -5.741 0.342) 7.396 13.866 ( -0.684 7.365 -4.418) 8.616 13.941 ( -6.455 0.513 3.649) 7.433 13.961 ( -7.788 0.723 -0.234) 7.825 14.095 ( -0.995 -1.236 1.317) 2.062 14.144 ( -1.944 -0.117 -2.788) 3.401 14.196 ( -1.451 -0.632 4.949) 5.196 14.466 ( 0.181 -0.627 -1.103) 1.282 14.504 ( 0.533 0.885 0.450) 1.127 14.516 ( -0.096 -1.383 3.635) 3.890 14.576 ( 1.582 -1.709 -0.930) 2.508 14.769 ( 1.209 0.016 0.136) 1.217 14.782 ( 1.322 -0.290 3.121) 3.402 14.916 ( 2.211 4.522 -2.504) 5.622 15.062 ( 3.909 -2.522 -5.219) 6.991 ======================= Grid point 103 (56/69) ======================= q-point: ( 0.44 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -0.369 10.812 6.423) 12.582 2.112 ( 11.880 6.233 -9.932) 16.692 2.377 ( 13.673 2.749 -4.385) 14.620 2.402 ( 13.149 4.624 -3.880) 14.469 2.549 ( -2.878 0.728 -0.501) 3.011 2.667 ( 5.312 -3.052 -1.638) 6.342 2.684 ( -9.307 2.140 -4.273) 10.462 2.756 ( 5.956 -1.654 -3.590) 7.148 2.817 ( 7.641 -6.050 -2.929) 10.177 2.895 ( -5.000 -2.021 1.228) 5.531 2.935 ( 6.909 0.104 5.833) 9.043 3.030 ( 0.278 -7.147 3.751) 8.076 3.056 ( 0.161 -1.810 -1.185) 2.169 3.129 ( -3.352 -3.361 1.155) 4.885 3.145 ( 5.564 2.861 -2.013) 6.572 3.195 ( -0.457 1.000 2.289) 2.539 3.269 ( 0.828 -2.634 0.258) 2.773 3.280 ( -0.433 2.684 1.829) 3.277 3.313 ( -5.527 -1.047 1.712) 5.880 3.373 ( -0.577 1.839 -3.431) 3.935 3.484 ( 3.685 -5.383 3.971) 7.637 3.533 ( -2.921 -0.562 1.721) 3.437 3.567 ( -3.271 -1.016 -0.745) 3.506 3.601 ( -0.346 3.293 1.775) 3.757 3.609 ( -0.981 1.586 0.346) 1.896 3.657 ( -2.889 -0.616 0.695) 3.034 3.686 ( -1.323 0.682 0.611) 1.609 3.729 ( -0.294 0.196 -0.371) 0.513 3.759 ( -1.996 3.329 -0.019) 3.882 3.792 ( -1.046 -3.646 2.077) 4.324 3.871 ( -0.561 -6.514 1.179) 6.643 3.915 ( 0.446 -0.560 0.204) 0.744 3.964 ( 0.970 1.023 -0.730) 1.588 3.983 ( 4.360 -0.627 -4.151) 6.053 4.021 ( 0.373 5.004 0.862) 5.091 4.024 ( 5.717 -0.284 -2.080) 6.090 4.092 ( 2.089 -1.908 -1.363) 3.141 4.142 ( 2.211 -1.793 -2.372) 3.705 4.156 ( -5.587 2.333 4.704) 7.667 4.182 ( -0.134 1.154 -3.070) 3.283 4.206 ( 1.175 -2.128 -0.819) 2.565 4.275 ( -2.856 -2.336 1.952) 4.174 4.288 ( -0.364 0.269 -1.320) 1.395 4.343 ( -0.223 -0.919 -1.978) 2.193 4.388 ( 5.995 -0.498 -1.982) 6.334 4.444 ( -2.181 -1.419 -4.209) 4.949 4.472 ( -1.777 3.784 2.287) 4.765 4.496 ( -2.153 -1.063 -1.378) 2.768 4.537 ( -2.461 -2.242 -1.185) 3.534 4.595 ( -2.137 0.171 -2.534) 3.320 4.637 ( 1.873 0.916 -0.241) 2.099 4.672 ( 3.712 3.326 5.831) 7.671 4.759 ( -4.298 -2.300 2.267) 5.376 4.802 ( -0.192 -0.959 2.790) 2.957 4.855 ( -0.861 2.346 0.835) 2.635 4.929 ( 2.060 4.520 2.149) 5.412 4.940 ( 0.064 -0.848 3.009) 3.127 4.976 ( 1.166 3.081 -0.495) 3.332 5.031 ( -2.858 3.993 1.921) 5.273 5.033 ( -0.044 -1.501 -1.489) 2.115 5.094 ( -0.893 0.190 1.956) 2.159 5.119 ( 1.557 -0.440 2.331) 2.838 5.169 ( -1.626 -0.313 1.015) 1.942 5.201 ( -0.706 0.973 0.412) 1.270 5.244 ( 0.933 0.870 0.121) 1.281 5.296 ( -1.099 -1.727 -2.350) 3.116 5.358 ( -1.493 -2.214 1.203) 2.928 5.386 ( 0.903 -1.670 -1.999) 2.757 5.489 ( 0.108 0.595 -1.089) 1.246 5.519 ( -1.391 -0.188 -1.278) 1.899 5.585 ( -0.184 -0.186 0.706) 0.753 5.624 ( 0.790 -1.162 -2.164) 2.580 6.138 ( 2.953 -0.058 -0.114) 2.956 6.146 ( 1.798 -0.331 -0.153) 1.835 6.178 ( 0.098 0.850 -0.799) 1.171 6.210 ( -0.809 -0.601 -0.622) 1.184 6.362 ( -1.216 0.241 3.601) 3.809 6.372 ( -0.740 -0.238 4.933) 4.994 6.441 ( 0.430 1.627 -2.035) 2.640 6.517 ( -1.944 -1.752 -3.966) 4.751 6.646 ( -3.132 0.891 1.259) 3.492 6.685 ( -0.202 -0.943 -3.272) 3.411 7.066 ( 0.409 0.682 3.220) 3.317 7.113 ( 2.504 -1.967 -1.313) 3.445 7.255 ( 0.170 2.893 2.828) 4.049 7.354 ( -4.893 -0.535 1.174) 5.060 7.362 ( 2.605 1.558 2.060) 3.668 7.496 ( -1.299 -3.509 -0.867) 3.841 7.530 ( -1.683 1.396 -0.223) 2.197 7.564 ( -0.562 0.966 1.807) 2.125 7.621 ( 0.313 -1.113 -5.007) 5.139 7.661 ( -1.510 -2.168 -4.438) 5.165 7.858 ( 3.710 1.806 0.273) 4.136 7.938 ( 5.034 -2.062 -1.069) 5.544 8.026 ( -0.696 3.362 -1.575) 3.778 8.099 ( 0.656 -0.641 0.577) 1.083 8.138 ( -1.090 1.052 0.649) 1.648 8.182 ( -0.484 0.447 0.663) 0.934 8.225 ( -4.721 1.843 -2.071) 5.474 8.304 ( -1.744 -0.613 0.553) 1.929 8.375 ( -3.516 2.423 1.830) 4.646 8.430 ( 1.787 1.552 -1.405) 2.752 8.503 ( 1.330 -2.970 2.332) 4.003 8.582 ( -1.199 -2.640 0.178) 2.905 8.634 ( -0.636 1.838 2.694) 3.323 8.686 ( 1.148 -0.360 1.423) 1.863 8.715 ( -6.070 1.262 1.373) 6.350 8.783 ( -3.697 0.164 0.378) 3.720 8.807 ( -2.372 0.257 6.144) 6.591 8.860 ( 3.068 -2.408 2.292) 4.524 8.973 ( 0.766 0.895 -5.026) 5.163 9.029 ( -2.169 -0.849 -4.834) 5.366 9.129 ( 4.173 -0.778 -2.567) 4.961 9.141 ( -1.538 -1.319 1.217) 2.364 9.205 ( -0.662 -1.109 -4.881) 5.049 9.236 ( -2.827 -1.525 -3.743) 4.932 9.464 ( 2.323 3.387 1.139) 4.263 9.498 ( 1.517 2.781 -1.050) 3.338 9.639 ( 0.508 -1.541 0.829) 1.823 9.669 ( 2.011 -2.035 2.607) 3.870 9.830 ( -0.973 2.833 0.411) 3.024 9.936 ( -3.685 -1.265 -0.635) 3.947 10.033 ( 0.159 0.616 3.913) 3.964 10.073 ( 1.796 -0.950 0.595) 2.117 10.207 ( -0.109 1.049 2.429) 2.648 10.254 ( 3.306 -0.898 -1.639) 3.798 10.400 ( 1.110 0.869 4.921) 5.119 10.418 ( 2.187 0.214 0.447) 2.242 10.547 ( 0.232 -1.219 3.914) 4.106 10.563 ( -0.614 -1.432 3.255) 3.608 10.708 ( -2.797 -0.062 -1.306) 3.088 10.736 ( -2.346 -0.641 -1.651) 2.939 10.798 ( 1.448 0.815 -1.094) 1.990 10.839 ( -0.857 -0.414 -0.299) 0.998 10.920 ( 3.346 1.872 -0.205) 3.839 11.001 ( 2.805 0.161 -0.476) 2.850 11.022 ( 3.231 0.757 -2.271) 4.021 11.066 ( -1.827 0.117 1.407) 2.309 11.085 ( 0.473 -0.554 0.789) 1.074 11.125 ( 2.210 -1.409 -2.931) 3.932 11.210 ( 2.563 0.336 1.950) 3.238 11.221 ( 0.064 0.215 3.032) 3.040 11.489 ( 0.742 0.006 -1.469) 1.646 11.500 ( 2.482 -0.412 -3.416) 4.242 11.770 ( 5.370 0.772 -0.900) 5.500 11.800 ( 4.406 -0.521 -0.130) 4.439 11.931 ( -0.111 0.085 -1.081) 1.090 11.958 ( -6.762 -0.110 -0.486) 6.780 11.971 ( 3.213 0.477 -0.906) 3.372 12.004 ( -2.705 -0.268 1.785) 3.252 12.041 ( -2.018 0.694 1.483) 2.599 12.054 ( -1.955 0.222 -0.079) 1.969 12.093 ( -1.070 0.930 0.731) 1.595 12.126 ( 0.647 1.826 -1.954) 2.752 12.172 ( -2.806 -2.272 0.413) 3.634 12.206 ( -3.531 -2.266 0.280) 4.205 12.289 ( -4.162 1.204 3.168) 5.367 12.326 ( -0.736 -0.209 1.781) 1.938 12.365 ( 4.613 0.451 -6.175) 7.721 12.408 ( 0.984 -1.681 -3.566) 4.063 12.497 ( -2.299 2.692 3.413) 4.917 12.598 ( 1.826 -0.711 -1.468) 2.448 12.680 ( -0.734 0.655 2.496) 2.683 12.702 ( -1.417 -1.328 1.831) 2.669 12.747 ( -0.950 0.526 -0.057) 1.087 12.782 ( 1.191 -0.323 -2.759) 3.023 12.811 ( 2.657 1.490 -3.206) 4.423 12.872 ( -3.750 -1.739 -1.624) 4.441 12.947 ( 3.989 -0.073 -5.028) 6.419 12.988 ( -0.950 -1.069 -2.899) 3.232 13.095 ( 3.809 0.262 -1.393) 4.064 13.120 ( 0.550 -0.782 -0.390) 1.032 13.236 ( 2.869 1.267 5.382) 6.229 13.276 ( 2.484 0.510 0.620) 2.611 13.374 ( 3.708 0.138 5.014) 6.238 13.448 ( 1.806 2.438 3.366) 4.532 13.544 ( -3.084 -4.051 0.457) 5.112 13.671 ( -6.591 -4.305 -2.934) 8.402 13.802 ( -3.164 6.277 -3.382) 7.800 13.825 ( -5.484 3.424 -1.212) 6.578 13.896 ( -2.872 -0.426 3.860) 4.830 14.041 ( 0.643 -3.441 -8.336) 9.041 14.151 ( -0.370 1.543 4.704) 4.964 14.204 ( -2.007 -0.164 3.201) 3.782 14.447 ( -2.177 -0.399 2.662) 3.462 14.533 ( -0.420 0.945 4.981) 5.087 14.548 ( 2.780 -2.736 -4.080) 5.644 14.621 ( 2.317 -1.574 2.654) 3.858 14.766 ( 0.179 1.465 -1.654) 2.217 14.826 ( -0.233 -1.330 2.291) 2.659 14.927 ( 1.009 4.323 -0.401) 4.458 15.061 ( 1.764 -2.278 -6.208) 6.844 ======================= Grid point 104 (57/69) ======================= q-point: (-0.44 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -13.577 12.384 7.007) 19.667 2.164 ( -0.454 6.383 -9.298) 11.287 2.293 ( -19.230 7.801 0.792) 20.767 2.433 ( -7.947 -1.326 -3.134) 8.645 2.526 ( 4.020 -1.748 0.494) 4.411 2.621 ( 2.956 0.966 0.965) 3.256 2.672 ( -8.603 -4.576 -1.793) 9.908 2.724 ( -4.776 -4.951 0.180) 6.881 2.798 ( 0.568 -4.397 -1.631) 4.724 2.920 ( 5.512 0.563 -1.503) 5.741 3.023 ( 4.694 -3.842 1.422) 6.230 3.028 ( -0.526 -1.082 -1.824) 2.186 3.099 ( -0.744 -1.014 -2.985) 3.239 3.120 ( -5.853 3.693 0.583) 6.945 3.149 ( 4.501 -2.277 -1.163) 5.176 3.250 ( -0.846 0.494 -1.195) 1.545 3.259 ( -2.004 -1.046 2.626) 3.465 3.267 ( -1.231 2.800 0.617) 3.121 3.318 ( 5.305 2.714 -0.046) 5.959 3.372 ( 3.099 -0.290 -2.781) 4.174 3.507 ( -1.700 -0.212 3.860) 4.223 3.524 ( -2.037 0.754 0.914) 2.356 3.544 ( -0.912 -0.977 1.780) 2.226 3.591 ( 1.897 -4.011 1.202) 4.597 3.624 ( -1.621 0.759 0.394) 1.833 3.654 ( -1.602 2.836 1.913) 3.777 3.662 ( -1.442 -1.637 3.646) 4.249 3.687 ( -1.461 -0.476 2.585) 3.007 3.738 ( -2.991 -3.719 -0.618) 4.812 3.782 ( -4.076 -0.003 3.583) 5.427 3.877 ( -5.262 -1.600 2.975) 6.253 3.885 ( -0.264 -4.044 0.696) 4.112 3.927 ( -0.800 -0.297 -0.277) 0.897 3.972 ( 1.337 -0.822 0.591) 1.677 4.017 ( -4.924 0.763 -1.223) 5.130 4.049 ( -2.277 -0.933 1.944) 3.136 4.066 ( -0.807 1.769 0.769) 2.091 4.142 ( 1.343 -0.449 -3.132) 3.438 4.153 ( 4.458 -1.987 -4.362) 6.545 4.198 ( -3.587 -2.675 -0.521) 4.505 4.252 ( 4.931 0.221 -1.549) 5.174 4.264 ( 2.484 -1.033 0.062) 2.691 4.304 ( 1.752 -1.177 2.409) 3.203 4.345 ( 1.319 -0.904 -2.584) 3.039 4.378 ( -2.009 2.582 -0.491) 3.308 4.399 ( 0.673 3.778 -3.655) 5.300 4.481 ( 2.282 0.965 2.719) 3.679 4.507 ( 2.132 -2.916 -2.602) 4.452 4.541 ( 3.505 2.899 -4.224) 6.207 4.584 ( 6.129 0.614 -0.308) 6.167 4.636 ( -0.859 0.190 -0.853) 1.225 4.726 ( 2.723 -2.423 -0.813) 3.735 4.801 ( 0.419 0.693 0.449) 0.926 4.830 ( 2.902 1.190 1.851) 3.642 4.868 ( -3.591 4.850 0.651) 6.070 4.897 ( 0.166 1.212 2.971) 3.213 4.965 ( -2.326 2.024 0.754) 3.174 4.982 ( -2.244 1.319 1.725) 3.123 4.990 ( -0.759 4.251 -0.246) 4.326 5.060 ( 3.369 2.096 -0.703) 4.029 5.116 ( -0.005 -3.434 2.169) 4.061 5.136 ( -1.821 -3.291 -0.540) 3.800 5.175 ( 0.653 0.760 -1.296) 1.638 5.197 ( 2.739 -1.633 2.796) 4.241 5.257 ( 0.229 1.103 0.538) 1.249 5.266 ( -0.186 0.836 -1.922) 2.104 5.351 ( -0.607 -2.728 0.747) 2.893 5.390 ( 1.172 -0.773 -1.293) 1.909 5.486 ( -0.836 -0.240 -0.619) 1.067 5.494 ( 0.576 -0.352 0.277) 0.730 5.584 ( -1.072 -0.014 1.540) 1.876 5.610 ( -0.111 -1.119 -1.618) 1.970 6.136 ( -3.641 0.095 0.043) 3.643 6.145 ( -2.344 -0.342 0.025) 2.369 6.166 ( -0.935 0.902 0.254) 1.324 6.196 ( 0.918 -0.544 0.810) 1.340 6.396 ( 1.069 0.619 2.662) 2.934 6.430 ( 1.736 -0.577 1.816) 2.578 6.437 ( 2.379 0.387 -1.222) 2.702 6.469 ( 1.008 -0.703 -4.458) 4.624 6.631 ( -0.100 1.140 1.885) 2.206 6.684 ( 2.850 -1.172 -2.436) 3.928 7.083 ( -1.121 0.604 1.745) 2.161 7.131 ( 1.334 -1.706 -3.040) 3.733 7.288 ( -1.478 2.805 0.793) 3.268 7.304 ( 1.309 2.517 2.561) 3.821 7.442 ( -1.121 -1.919 -1.746) 2.826 7.450 ( 2.441 -2.023 2.088) 3.796 7.523 ( -0.608 0.037 3.101) 3.160 7.571 ( 0.631 0.614 -3.944) 4.041 7.587 ( 0.225 -1.732 2.224) 2.827 7.628 ( 1.513 -1.240 -3.481) 3.993 7.899 ( -3.804 2.139 -3.429) 5.550 7.918 ( 0.758 1.847 0.539) 2.068 8.041 ( -3.583 -0.009 -1.669) 3.953 8.073 ( 1.518 -0.789 0.478) 1.776 8.141 ( 1.071 1.266 0.269) 1.680 8.175 ( 3.963 -0.144 1.264) 4.162 8.244 ( -2.626 -0.236 -1.810) 3.198 8.266 ( 3.685 -0.681 3.659) 5.237 8.364 ( -2.059 3.134 3.931) 5.432 8.437 ( 0.870 2.427 -2.917) 3.893 8.524 ( -3.116 -2.440 0.378) 3.976 8.563 ( 1.067 -2.997 1.761) 3.636 8.654 ( 0.080 1.492 0.356) 1.536 8.701 ( 6.602 1.509 1.169) 6.873 8.724 ( -1.183 -1.034 -0.190) 1.583 8.775 ( 4.278 0.649 0.736) 4.389 8.838 ( -1.207 1.575 6.909) 7.189 8.919 ( -1.696 -0.373 -2.008) 2.655 8.946 ( 2.136 -0.861 -1.338) 2.664 8.966 ( 1.162 -1.485 -4.010) 4.432 9.102 ( -5.826 -0.127 -0.060) 5.828 9.128 ( -1.239 -2.524 1.189) 3.053 9.175 ( 2.363 0.340 -1.435) 2.786 9.235 ( 5.354 -1.533 -3.366) 6.507 9.497 ( 0.682 3.144 -1.716) 3.646 9.505 ( 0.916 2.143 -1.820) 2.956 9.667 ( 0.113 -3.031 -0.904) 3.165 9.686 ( 2.498 -2.962 -0.697) 3.936 9.845 ( -4.880 2.671 -0.676) 5.604 9.865 ( 1.268 1.809 5.329) 5.769 10.048 ( -1.904 0.746 2.972) 3.607 10.096 ( 0.765 -0.409 -1.341) 1.597 10.199 ( -2.787 0.192 2.846) 3.988 10.268 ( 0.265 -1.792 -2.867) 3.391 10.406 ( -2.471 0.855 0.885) 2.761 10.472 ( 2.597 -2.008 -0.722) 3.361 10.587 ( -1.887 0.828 2.088) 2.934 10.615 ( 2.629 -0.093 4.386) 5.115 10.662 ( -0.175 -0.423 1.297) 1.375 10.684 ( -0.582 -1.278 -4.376) 4.596 10.788 ( -4.644 0.058 0.982) 4.747 10.791 ( -3.839 -0.216 3.856) 5.445 10.942 ( -1.755 2.513 1.553) 3.436 10.981 ( -0.987 1.846 -4.496) 4.959 11.019 ( -2.663 -0.481 -0.516) 2.755 11.069 ( 0.196 -1.924 2.156) 2.896 11.126 ( 3.933 0.345 -2.355) 4.597 11.163 ( 4.818 -1.017 -4.657) 6.777 11.232 ( 0.580 0.962 -0.567) 1.258 11.264 ( 2.548 -0.498 -1.199) 2.859 11.446 ( -4.510 0.489 1.007) 4.646 11.473 ( -3.144 -0.637 -0.087) 3.209 11.773 ( -6.897 0.595 -1.579) 7.101 11.788 ( -8.272 -0.099 1.086) 8.343 11.882 ( 0.150 0.688 2.110) 2.224 11.930 ( 0.798 -1.544 3.189) 3.632 11.965 ( 0.994 0.215 0.183) 1.034 11.979 ( 0.058 -0.158 1.475) 1.485 12.052 ( 0.072 0.512 1.454) 1.543 12.067 ( 1.572 0.165 0.773) 1.759 12.113 ( 0.350 1.309 -0.963) 1.663 12.122 ( 2.540 1.374 -1.306) 3.170 12.157 ( -2.154 -1.199 0.058) 2.466 12.198 ( 2.992 -2.352 0.621) 3.856 12.272 ( 0.586 1.949 1.954) 2.821 12.337 ( -0.403 -1.309 2.505) 2.855 12.395 ( 2.466 -0.410 -4.507) 5.154 12.405 ( 5.074 -0.662 -6.608) 8.357 12.527 ( 1.073 2.829 3.892) 4.930 12.591 ( 2.517 0.808 -4.875) 5.545 12.679 ( -2.208 0.598 3.828) 4.459 12.683 ( -3.489 0.228 3.458) 4.917 12.755 ( 0.174 -1.381 -0.034) 1.392 12.777 ( -0.225 -1.841 -2.270) 2.931 12.814 ( 0.764 0.549 -1.823) 2.052 12.839 ( 3.377 0.542 -1.118) 3.598 12.928 ( -1.667 -0.243 -2.975) 3.419 12.980 ( 2.831 -2.113 -3.359) 4.875 13.104 ( -0.927 1.252 -1.904) 2.460 13.144 ( 2.497 -1.088 -1.993) 3.376 13.267 ( -2.026 2.473 1.816) 3.677 13.322 ( 1.035 0.709 -2.391) 2.701 13.453 ( -0.975 -2.293 2.011) 3.202 13.496 ( 1.568 -3.621 -1.568) 4.246 13.539 ( -2.283 1.379 -1.995) 3.330 13.588 ( 5.514 0.724 3.492) 6.567 13.743 ( -0.110 1.917 2.047) 2.807 13.802 ( 2.264 3.442 2.291) 4.714 13.898 ( -0.924 -0.567 4.016) 4.160 14.001 ( 2.275 -2.527 -6.420) 7.264 14.182 ( -1.980 1.035 2.745) 3.539 14.192 ( -0.216 0.675 3.098) 3.178 14.432 ( -3.982 -0.134 5.461) 6.760 14.527 ( -0.701 -3.666 -1.943) 4.208 14.587 ( 1.789 1.435 1.780) 2.903 14.649 ( 1.056 -2.175 -4.602) 5.199 14.775 ( -0.174 1.820 4.310) 4.682 14.807 ( -1.257 1.529 -2.703) 3.350 14.950 ( -0.514 0.940 3.836) 3.982 15.019 ( 0.059 -1.625 -6.898) 7.087 ======================= Grid point 105 (58/69) ======================= q-point: (-0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -21.562 10.078 7.892) 25.075 1.825 ( -24.865 10.143 5.448) 27.402 2.163 ( -5.943 -1.660 -4.265) 7.501 2.208 ( -12.557 -2.499 -1.805) 12.930 2.407 ( -13.850 -9.058 2.303) 16.708 2.549 ( -6.035 -1.938 1.872) 6.609 2.576 ( -3.244 2.189 1.817) 4.314 2.628 ( -8.359 -0.401 1.594) 8.520 2.824 ( -9.195 3.187 -11.487) 15.055 2.910 ( -1.118 2.171 -4.058) 4.736 2.957 ( -12.483 9.454 4.013) 16.165 2.990 ( -4.351 5.467 0.206) 6.990 3.021 ( -3.971 8.266 1.917) 9.368 3.101 ( -1.338 -6.496 -4.902) 8.247 3.128 ( -1.164 -5.436 -2.127) 5.952 3.197 ( -1.245 -1.781 -1.290) 2.527 3.279 ( -1.478 0.216 2.582) 2.983 3.285 ( 0.626 -1.312 1.447) 2.052 3.358 ( 0.465 0.810 -0.348) 0.997 3.379 ( 2.003 -0.834 3.418) 4.048 3.433 ( -3.926 -0.067 1.075) 4.071 3.498 ( -1.176 -5.941 -1.369) 6.209 3.570 ( 1.116 -4.032 6.260) 7.529 3.582 ( -0.198 -1.004 -1.013) 1.440 3.634 ( -0.546 1.692 -0.415) 1.826 3.646 ( -2.539 -1.492 1.127) 3.153 3.712 ( 3.379 -3.439 2.410) 5.390 3.735 ( -2.258 -7.911 3.629) 8.992 3.758 ( 3.221 0.459 0.330) 3.270 3.779 ( 4.297 3.780 5.167) 7.710 3.817 ( -1.934 0.962 3.547) 4.153 3.905 ( 0.335 -0.610 1.374) 1.540 3.932 ( -0.459 -2.181 -2.842) 3.611 3.974 ( -1.507 -2.721 0.852) 3.225 4.009 ( 3.522 2.427 1.658) 4.588 4.028 ( 0.074 -0.308 -0.159) 0.355 4.071 ( -2.069 -5.432 3.427) 6.748 4.125 ( 3.941 -5.326 1.439) 6.780 4.142 ( 0.044 -3.481 -2.072) 4.052 4.163 ( 0.313 -2.644 -5.813) 6.393 4.255 ( -1.368 1.157 -2.420) 3.011 4.285 ( 1.394 0.402 -0.882) 1.698 4.347 ( 1.121 3.743 -4.927) 6.288 4.365 ( 3.465 1.251 -1.259) 3.893 4.395 ( 6.302 2.857 -3.331) 7.679 4.431 ( 3.382 3.131 2.080) 5.056 4.523 ( 3.037 -0.339 -0.955) 3.202 4.553 ( 3.197 -1.340 2.143) 4.075 4.631 ( 2.802 4.782 0.254) 5.548 4.669 ( 3.609 0.425 -1.457) 3.915 4.673 ( 1.268 1.596 -3.609) 4.144 4.716 ( 5.370 2.494 -2.592) 6.464 4.768 ( -3.363 6.379 -0.624) 7.238 4.824 ( 0.608 -0.476 -1.796) 1.955 4.838 ( -3.080 0.580 2.148) 3.799 4.906 ( -2.312 1.756 0.075) 2.904 4.923 ( -2.503 0.239 -2.064) 3.253 4.975 ( -0.445 -0.901 2.842) 3.015 4.996 ( 0.104 1.826 0.442) 1.881 5.083 ( 1.297 -0.535 -0.283) 1.431 5.101 ( 1.289 -2.427 0.552) 2.802 5.149 ( -1.682 -2.488 -1.234) 3.247 5.202 ( 3.341 0.399 0.818) 3.463 5.219 ( -1.266 -0.287 -0.373) 1.350 5.256 ( 1.233 1.179 -1.624) 2.355 5.292 ( 1.868 2.484 1.919) 3.653 5.351 ( -0.030 -3.320 0.595) 3.373 5.400 ( 0.942 -0.437 -0.553) 1.176 5.485 ( 0.823 -0.854 0.537) 1.302 5.512 ( -0.582 -0.716 2.593) 2.752 5.573 ( -1.164 0.265 0.897) 1.493 5.600 ( 0.204 -0.793 -0.589) 1.009 6.062 ( -4.751 0.869 0.766) 4.891 6.094 ( -3.259 -0.579 0.784) 3.402 6.158 ( -1.603 0.555 0.193) 1.707 6.184 ( -2.227 -0.600 0.037) 2.306 6.431 ( 1.532 0.519 -0.118) 1.622 6.451 ( 3.954 0.430 -2.849) 4.893 6.480 ( 4.164 0.391 -3.065) 5.186 6.523 ( 3.748 -1.373 3.444) 5.271 6.672 ( 2.300 0.804 2.976) 3.846 6.736 ( 4.861 -2.132 -1.522) 5.522 7.061 ( -2.102 0.660 0.045) 2.203 7.107 ( 0.094 -1.596 -4.427) 4.707 7.271 ( -0.241 3.893 -0.293) 3.912 7.345 ( -0.496 3.582 -0.045) 3.616 7.427 ( 1.813 -3.246 1.245) 3.921 7.494 ( -0.233 -3.591 -0.077) 3.599 7.549 ( 0.597 1.795 3.657) 4.117 7.579 ( 2.969 0.404 -1.565) 3.380 7.627 ( 0.841 -0.867 -1.110) 1.640 7.647 ( 2.243 -1.517 3.752) 4.628 7.811 ( -2.256 1.056 -1.916) 3.143 7.847 ( -5.417 -0.829 -2.290) 5.939 8.038 ( 2.537 2.840 0.716) 3.875 8.112 ( 1.870 -0.996 0.084) 2.121 8.173 ( 1.456 0.525 -0.385) 1.595 8.209 ( 2.021 0.362 -0.196) 2.063 8.251 ( 0.900 1.240 2.805) 3.196 8.349 ( 0.546 -1.439 1.650) 2.256 8.355 ( 0.275 3.042 -0.867) 3.175 8.446 ( 2.472 4.721 1.022) 5.426 8.509 ( -0.208 -2.635 0.628) 2.717 8.600 ( 3.239 -1.874 1.354) 3.979 8.662 ( 1.974 0.964 0.617) 2.281 8.726 ( 2.040 -1.003 -4.371) 4.927 8.806 ( -1.159 -1.255 -0.428) 1.761 8.845 ( 4.156 0.050 1.912) 4.575 8.882 ( 1.983 0.713 -0.874) 2.281 8.927 ( 2.066 -1.319 -3.810) 4.530 8.930 ( 5.942 0.688 2.686) 6.557 8.978 ( -2.944 -1.449 2.308) 4.011 9.060 ( 2.393 2.221 2.853) 4.336 9.154 ( 1.823 -3.283 2.209) 4.357 9.196 ( 1.383 0.921 -0.379) 1.705 9.294 ( 2.519 -2.301 -1.676) 3.802 9.456 ( -2.086 2.368 -3.399) 4.638 9.495 ( -0.013 2.305 -2.636) 3.502 9.669 ( -2.610 -0.871 -3.388) 4.365 9.673 ( 1.424 -1.926 -1.794) 2.993 9.814 ( 0.258 2.137 2.873) 3.590 9.935 ( 0.368 -1.578 5.556) 5.788 10.019 ( -3.258 0.546 1.230) 3.525 10.070 ( -1.209 -1.164 -3.421) 3.811 10.166 ( -2.891 0.177 2.046) 3.546 10.226 ( -1.312 -1.698 -4.087) 4.616 10.398 ( 0.039 1.310 0.908) 1.595 10.414 ( -6.439 0.652 -6.056) 8.863 10.550 ( -1.731 -0.617 2.382) 3.009 10.586 ( -3.686 -1.821 -3.376) 5.320 10.664 ( -5.360 -0.404 0.457) 5.395 10.705 ( -5.730 -1.790 3.772) 7.090 10.738 ( 1.080 1.780 4.093) 4.593 10.781 ( 2.374 0.066 4.405) 5.004 10.890 ( -3.158 1.042 -2.106) 3.936 10.919 ( -3.511 1.041 1.015) 3.801 10.971 ( -1.950 1.985 -1.554) 3.187 11.082 ( 0.039 -2.125 0.980) 2.341 11.123 ( -2.661 1.679 -1.394) 3.441 11.185 ( 1.714 -1.034 -4.731) 5.137 11.261 ( 5.185 -0.302 -4.646) 6.969 11.277 ( 2.437 -0.945 -4.839) 5.499 11.384 ( -3.683 1.096 2.198) 4.427 11.418 ( -4.011 -0.490 2.423) 4.711 11.662 ( -5.312 0.450 1.788) 5.623 11.674 ( -7.135 -0.079 4.853) 8.630 11.812 ( -4.988 0.552 -1.414) 5.214 11.882 ( -5.417 -3.286 2.873) 6.957 12.007 ( -1.189 0.940 0.067) 1.517 12.045 ( -1.997 -0.432 3.910) 4.411 12.085 ( 0.899 0.154 -1.053) 1.393 12.089 ( 2.200 -0.834 -1.508) 2.795 12.125 ( 3.598 0.820 1.451) 3.965 12.157 ( 3.009 0.605 -1.451) 3.395 12.164 ( 2.724 1.898 4.045) 5.233 12.264 ( 2.193 -1.744 0.793) 2.912 12.335 ( 3.913 1.426 0.515) 4.196 12.360 ( 2.748 0.196 1.011) 2.935 12.405 ( 4.137 0.548 -1.798) 4.544 12.453 ( 5.489 -1.706 -4.437) 7.261 12.555 ( -0.918 1.095 1.613) 2.155 12.610 ( 0.247 -1.327 -0.661) 1.503 12.656 ( 1.039 1.242 -1.657) 2.317 12.685 ( -0.184 0.759 1.835) 1.994 12.761 ( 1.720 0.308 0.764) 1.907 12.774 ( 0.100 -0.569 1.126) 1.265 12.821 ( 0.211 2.431 0.398) 2.472 12.847 ( -0.482 1.547 -2.896) 3.318 12.930 ( 2.825 -1.173 -1.770) 3.534 12.989 ( 0.451 -3.452 -1.416) 3.758 13.058 ( -1.283 0.515 -1.026) 1.722 13.123 ( -2.533 -3.141 -2.503) 4.748 13.236 ( -2.166 0.551 -4.360) 4.900 13.278 ( 0.588 -0.569 -3.222) 3.324 13.360 ( -3.983 1.829 -5.216) 6.813 13.476 ( 0.578 1.499 -4.289) 4.580 13.613 ( 4.873 1.029 2.923) 5.775 13.717 ( 3.807 1.975 6.538) 7.819 13.836 ( 7.687 -2.010 -1.240) 8.041 13.922 ( 5.203 1.671 6.329) 8.362 13.935 ( 0.109 -2.280 7.302) 7.650 14.013 ( 4.141 -1.260 -2.650) 5.075 14.156 ( -1.662 2.422 0.475) 2.976 14.223 ( -0.938 -0.928 3.844) 4.065 14.409 ( -2.819 0.301 4.349) 5.192 14.497 ( -1.193 -2.341 -0.760) 2.735 14.602 ( -0.391 -0.952 -4.583) 4.697 14.617 ( 0.462 -0.434 -1.472) 1.603 14.755 ( -1.249 3.716 -2.310) 4.551 14.813 ( -0.346 0.141 3.737) 3.756 14.944 ( -1.676 -0.539 -5.399) 5.679 14.963 ( -2.493 -0.875 3.278) 4.210 ======================= Grid point 106 (59/69) ======================= q-point: (-0.22 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -22.070 8.955 15.597) 28.470 1.502 ( -23.196 12.420 16.160) 30.878 1.938 ( -15.668 -13.561 5.994) 21.572 2.040 ( -7.602 -8.213 -1.784) 11.333 2.233 ( -8.353 -1.275 0.700) 8.478 2.424 ( -8.796 -0.515 -2.083) 9.054 2.452 ( -11.798 10.440 3.785) 16.202 2.498 ( -20.981 7.343 6.209) 23.080 2.574 ( -9.160 6.827 -7.089) 13.445 2.632 ( -5.946 5.812 1.500) 8.449 2.752 ( -10.329 0.403 -4.006) 11.086 2.874 ( -5.455 17.386 -0.126) 18.222 2.950 ( -5.458 -10.005 -7.241) 13.502 2.986 ( -6.855 -6.576 -12.741) 15.892 3.166 ( -1.211 0.359 -3.197) 3.437 3.167 ( 2.052 -0.442 5.486) 5.873 3.246 ( -2.964 1.744 3.587) 4.969 3.293 ( -1.887 -6.628 4.261) 8.103 3.376 ( -2.992 -4.165 1.966) 5.492 3.431 ( 3.858 0.112 2.790) 4.763 3.469 ( 2.593 -0.031 0.443) 2.631 3.487 ( -2.115 -4.197 -0.281) 4.708 3.528 ( -2.409 -0.409 2.602) 3.570 3.598 ( -1.260 0.242 -1.675) 2.109 3.612 ( -1.280 -6.244 5.979) 8.739 3.677 ( 2.810 -3.287 5.520) 7.012 3.727 ( 0.229 -6.852 0.733) 6.895 3.769 ( -1.613 -2.624 -0.215) 3.087 3.808 ( 4.502 -6.158 0.377) 7.637 3.855 ( -0.451 1.353 0.362) 1.471 3.883 ( 0.003 1.809 1.441) 2.313 3.903 ( 0.359 -3.318 0.565) 3.385 3.919 ( 4.778 2.107 1.936) 5.569 3.995 ( 0.854 -1.769 -0.230) 1.978 4.040 ( 0.661 2.358 -4.010) 4.698 4.083 ( 4.792 0.268 -1.443) 5.012 4.105 ( 1.233 -1.439 -3.399) 3.892 4.127 ( 0.087 0.217 1.167) 1.190 4.142 ( 2.702 1.433 -3.023) 4.300 4.187 ( 2.162 -0.234 -2.717) 3.480 4.218 ( 2.512 -4.242 -1.396) 5.124 4.317 ( 4.939 -0.339 -1.423) 5.151 4.370 ( 2.273 3.161 0.381) 3.912 4.418 ( 4.714 0.682 -2.332) 5.303 4.453 ( 0.991 2.037 -1.963) 2.998 4.505 ( 5.359 1.132 -1.492) 5.677 4.543 ( 2.542 2.528 -2.491) 4.365 4.574 ( -1.308 3.206 -1.563) 3.799 4.625 ( -0.732 4.643 -2.005) 5.110 4.685 ( 3.206 0.118 -0.894) 3.330 4.712 ( 0.202 -0.596 -1.739) 1.850 4.737 ( 2.706 -0.251 -0.695) 2.805 4.786 ( -1.412 -2.008 2.064) 3.208 4.797 ( 0.469 2.578 0.280) 2.635 4.838 ( 2.907 0.779 0.078) 3.010 4.889 ( -0.609 -1.015 1.357) 1.801 4.916 ( 1.875 3.678 -0.548) 4.164 4.971 ( -1.347 0.990 2.163) 2.734 4.989 ( 0.710 2.934 -1.240) 3.264 5.083 ( -2.361 -0.979 -0.635) 2.634 5.122 ( 0.414 0.728 0.632) 1.049 5.137 ( 0.439 -2.017 1.889) 2.798 5.174 ( -2.035 1.798 -1.473) 3.089 5.223 ( -1.208 -1.217 -0.001) 1.715 5.283 ( 2.173 -0.660 -1.118) 2.531 5.323 ( -0.401 3.559 1.507) 3.885 5.365 ( 0.569 -4.086 2.043) 4.604 5.434 ( 2.991 -0.175 0.973) 3.151 5.499 ( -1.816 -1.438 1.918) 3.007 5.504 ( -1.192 -1.186 1.546) 2.284 5.576 ( 1.205 0.675 -0.335) 1.422 5.607 ( 0.998 -0.669 -0.792) 1.439 5.990 ( -4.637 1.699 1.741) 5.236 6.054 ( -2.273 -1.204 0.875) 2.717 6.104 ( -3.161 0.868 -1.422) 3.573 6.141 ( -1.969 -0.788 -1.781) 2.769 6.463 ( 2.401 0.188 -0.416) 2.443 6.516 ( 3.823 -1.333 -2.289) 4.651 6.533 ( 5.875 2.899 -1.864) 6.812 6.627 ( 4.946 -2.715 2.988) 6.385 6.758 ( 3.618 0.813 4.467) 5.805 6.817 ( 5.313 -2.342 -0.403) 5.821 7.020 ( -1.939 0.849 -0.764) 2.250 7.074 ( 0.377 -1.718 -3.740) 4.133 7.272 ( -0.114 2.877 0.440) 2.913 7.330 ( 1.264 5.463 -2.567) 6.167 7.422 ( -3.533 -3.670 0.643) 5.135 7.482 ( -2.005 -1.990 0.720) 2.915 7.574 ( -1.013 1.765 1.329) 2.430 7.598 ( -0.294 0.321 -0.820) 0.928 7.663 ( 4.275 -0.033 -0.203) 4.280 7.716 ( 0.629 -1.640 3.839) 4.222 7.760 ( -1.770 1.229 -0.862) 2.321 7.799 ( 1.661 -0.425 -1.556) 2.315 8.089 ( 2.703 1.386 -0.194) 3.044 8.169 ( 5.009 -0.383 0.745) 5.078 8.205 ( 2.743 -0.329 0.337) 2.784 8.248 ( -0.455 -0.536 0.210) 0.734 8.281 ( 3.179 0.683 0.633) 3.313 8.317 ( -1.851 -0.125 -2.200) 2.878 8.366 ( 2.183 3.294 -2.357) 4.601 8.492 ( 0.811 -0.615 1.020) 1.441 8.532 ( 2.605 1.379 0.361) 2.969 8.650 ( -0.181 -0.966 -1.977) 2.208 8.687 ( 0.153 0.598 -2.363) 2.443 8.709 ( 0.130 -0.190 -3.361) 3.369 8.847 ( 7.791 2.252 3.565) 8.859 8.876 ( -3.805 -0.837 1.691) 4.247 8.894 ( -1.775 -0.317 2.730) 3.272 8.967 ( 5.856 -1.186 3.121) 6.741 9.014 ( 4.246 -1.414 0.879) 4.560 9.057 ( 7.247 -0.984 1.176) 7.407 9.156 ( 3.319 4.297 -1.127) 5.545 9.183 ( 1.420 1.797 1.233) 2.601 9.239 ( -3.495 -0.081 -4.895) 6.015 9.305 ( 6.425 -4.696 4.020) 8.916 9.401 ( -0.897 -1.036 0.906) 1.643 9.453 ( -1.864 -1.257 -3.007) 3.755 9.612 ( -2.341 -0.106 -0.941) 2.525 9.665 ( -0.096 0.078 -0.574) 0.587 9.829 ( -1.627 2.881 1.092) 3.484 9.939 ( -1.580 -1.222 -1.429) 2.456 9.973 ( -3.180 -1.564 -0.540) 3.585 10.025 ( -1.150 -4.017 0.331) 4.191 10.134 ( -3.270 2.976 -3.840) 5.856 10.173 ( 0.405 1.851 0.927) 2.109 10.230 ( -10.421 0.621 -0.710) 10.464 10.319 ( -9.147 -2.800 -0.745) 9.595 10.496 ( -7.943 2.146 -2.981) 8.752 10.549 ( -3.271 0.136 2.968) 4.419 10.584 ( -4.883 -2.504 0.226) 5.492 10.604 ( -0.044 -2.593 1.923) 3.228 10.788 ( 0.691 2.380 0.268) 2.493 10.826 ( -0.651 0.135 -0.826) 1.060 10.832 ( -0.953 1.360 0.508) 1.736 10.901 ( -0.636 -0.879 -1.468) 1.825 10.964 ( 1.997 3.221 4.488) 5.875 11.035 ( -3.734 2.200 -3.441) 5.533 11.098 ( 0.117 -2.384 1.720) 2.942 11.135 ( -2.028 -1.985 -4.035) 4.933 11.279 ( 3.291 -0.041 -5.880) 6.739 11.299 ( 1.608 -0.605 -1.175) 2.081 11.357 ( -2.256 0.715 2.849) 3.704 11.377 ( -3.360 -0.191 3.243) 4.673 11.619 ( -2.007 0.365 2.070) 2.906 11.633 ( -1.477 0.303 2.150) 2.626 11.722 ( -3.191 0.499 -2.186) 3.900 11.805 ( -5.297 -3.475 0.051) 6.336 11.977 ( -1.891 -0.561 2.578) 3.247 12.012 ( -3.222 -0.865 1.094) 3.511 12.072 ( -0.891 0.209 -2.066) 2.259 12.103 ( 0.217 -0.441 1.125) 1.228 12.184 ( 0.924 0.479 2.873) 3.056 12.220 ( 4.583 0.697 1.330) 4.823 12.243 ( 0.428 -1.238 0.643) 1.459 12.298 ( 3.465 0.724 0.512) 3.577 12.374 ( 1.484 3.338 -0.027) 3.653 12.461 ( 5.236 0.845 2.756) 5.977 12.502 ( 4.989 -0.449 -0.814) 5.074 12.539 ( 4.951 -0.450 0.166) 4.974 12.546 ( 0.595 0.537 0.278) 0.848 12.581 ( 0.416 -1.346 0.050) 1.409 12.662 ( -0.637 1.446 0.303) 1.609 12.720 ( 4.062 0.404 -4.727) 6.245 12.776 ( 0.218 0.828 -1.644) 1.853 12.789 ( -0.174 0.862 2.322) 2.483 12.842 ( 1.875 2.267 3.745) 4.762 12.864 ( 2.732 1.274 -2.220) 3.743 12.901 ( -1.366 -0.067 -1.195) 1.816 12.974 ( -2.952 -2.007 -0.483) 3.602 13.054 ( -1.068 -4.559 -1.893) 5.051 13.076 ( 1.836 -3.377 -0.037) 3.844 13.158 ( -1.827 1.213 -3.452) 4.090 13.247 ( -2.557 -2.932 -4.125) 5.670 13.285 ( 1.409 5.257 -3.650) 6.553 13.449 ( 0.837 1.842 -5.483) 5.845 13.695 ( 2.110 0.613 2.342) 3.212 13.842 ( 4.666 -0.670 3.271) 5.737 13.899 ( 2.757 0.168 -3.179) 4.211 14.006 ( 1.659 1.496 4.105) 4.674 14.061 ( 3.817 -3.138 4.133) 6.442 14.095 ( 0.532 -1.654 6.280) 6.516 14.171 ( 5.252 2.338 0.624) 5.783 14.226 ( -0.874 -0.544 3.244) 3.403 14.424 ( 0.283 0.166 2.812) 2.831 14.478 ( -0.471 -0.961 0.265) 1.103 14.566 ( 0.505 -0.203 -3.329) 3.373 14.583 ( -0.599 -0.430 -4.757) 4.814 14.735 ( -0.444 2.755 0.601) 2.855 14.816 ( -0.810 -1.450 -1.661) 2.348 14.864 ( -2.684 1.321 -2.278) 3.760 14.928 ( -5.455 -1.347 3.910) 6.845 ======================= Grid point 107 (60/69) ======================= q-point: (-0.11 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -12.496 9.685 26.499) 30.857 1.318 ( -17.067 11.521 24.391) 31.921 1.782 ( -10.104 -14.039 11.103) 20.553 1.933 ( -2.796 -12.801 -1.996) 13.254 2.101 ( -5.817 -4.320 -2.367) 7.622 2.220 ( -4.700 7.973 -18.447) 20.639 2.240 ( -5.895 2.485 -8.591) 10.712 2.268 ( -20.635 21.538 33.616) 44.941 2.447 ( -4.574 8.059 4.176) 10.164 2.553 ( -7.706 -3.632 -4.600) 9.682 2.618 ( 0.202 1.115 -2.449) 2.698 2.745 ( -6.055 -5.706 -10.366) 13.292 2.794 ( -2.605 -0.352 -7.664) 8.103 2.826 ( -1.651 12.215 -1.002) 12.366 3.064 ( -3.583 7.563 -6.885) 10.837 3.196 ( -0.805 1.469 2.068) 2.661 3.281 ( -6.171 -16.875 13.044) 22.203 3.290 ( 0.772 -3.253 3.282) 4.685 3.356 ( -1.449 -5.724 1.189) 6.023 3.433 ( -1.727 -6.331 -1.392) 6.708 3.488 ( -1.327 -2.293 6.069) 6.622 3.509 ( -1.809 -0.624 -4.139) 4.560 3.537 ( 1.515 -4.435 -4.645) 6.599 3.573 ( 3.509 3.209 1.642) 5.031 3.653 ( 0.139 -2.056 0.862) 2.233 3.723 ( -0.351 -3.043 -1.875) 3.592 3.742 ( 0.645 -0.201 1.171) 1.352 3.751 ( 0.942 -0.833 0.942) 1.571 3.805 ( -1.268 1.152 -3.610) 3.995 3.833 ( -2.615 0.590 -1.878) 3.273 3.890 ( 1.010 -2.827 -0.158) 3.006 3.925 ( 2.181 -0.652 3.864) 4.485 3.968 ( 0.023 -0.776 1.211) 1.439 4.005 ( -0.260 -0.736 -3.710) 3.791 4.018 ( -0.157 1.747 -2.389) 2.964 4.070 ( 2.412 -3.388 -4.798) 6.349 4.129 ( 1.741 -2.809 1.601) 3.672 4.171 ( 2.970 -1.801 -2.676) 4.384 4.178 ( 4.430 1.300 -3.417) 5.743 4.211 ( -0.389 -0.611 2.180) 2.297 4.282 ( 3.936 3.691 0.826) 5.458 4.395 ( 0.586 -3.108 -2.164) 3.832 4.408 ( 4.734 1.690 -2.708) 5.710 4.433 ( 0.380 -4.663 2.093) 5.125 4.468 ( 0.209 3.237 -1.007) 3.397 4.517 ( 1.860 4.462 0.878) 4.913 4.563 ( 2.236 2.672 -6.784) 7.626 4.587 ( 3.113 2.766 0.903) 4.261 4.638 ( 0.416 3.307 -0.786) 3.425 4.697 ( 2.769 -1.953 -2.890) 4.454 4.734 ( 2.370 1.592 0.614) 2.921 4.757 ( -0.413 -0.910 -1.171) 1.540 4.779 ( -1.542 0.554 -0.380) 1.682 4.793 ( 0.047 0.803 -0.463) 0.928 4.877 ( -0.433 -2.331 2.497) 3.443 4.907 ( 2.431 1.302 -0.147) 2.762 4.946 ( 1.947 1.263 0.080) 2.323 4.988 ( 1.139 1.067 1.493) 2.160 5.012 ( 0.663 2.113 0.075) 2.216 5.055 ( -1.159 1.706 0.347) 2.092 5.114 ( -0.986 2.191 -0.841) 2.546 5.131 ( -0.953 3.715 0.702) 3.900 5.156 ( 1.034 0.969 1.185) 1.847 5.218 ( 0.057 -1.250 1.278) 1.789 5.281 ( -2.647 0.667 1.266) 3.009 5.311 ( -1.489 -0.050 0.564) 1.593 5.404 ( 1.377 -4.026 2.187) 4.784 5.459 ( -3.626 -3.134 3.260) 5.796 5.496 ( 2.085 0.254 1.255) 2.446 5.520 ( 1.253 -0.748 0.468) 1.533 5.591 ( 1.043 0.241 -1.698) 2.007 5.609 ( 0.537 -0.241 -1.958) 2.045 5.939 ( -3.139 2.247 2.559) 4.631 6.023 ( -1.670 -1.184 -0.553) 2.120 6.045 ( -1.793 0.677 -1.175) 2.248 6.091 ( -1.179 -0.846 -2.847) 3.195 6.493 ( 1.249 -0.355 -0.285) 1.330 6.528 ( 0.497 -1.225 -1.944) 2.351 6.642 ( 7.200 2.305 -1.678) 7.744 6.728 ( 3.590 -4.125 0.811) 5.528 6.860 ( 2.512 1.217 5.235) 5.932 6.903 ( 4.258 -0.786 0.172) 4.333 6.993 ( -0.821 0.915 0.033) 1.230 7.051 ( 0.657 -1.678 -3.796) 4.202 7.264 ( -0.501 1.700 -0.218) 1.785 7.314 ( -3.159 2.875 -0.135) 4.274 7.391 ( 1.756 -1.077 -2.800) 3.476 7.430 ( -3.332 -0.811 -0.033) 3.429 7.557 ( -1.586 1.119 -0.510) 2.007 7.561 ( -2.076 0.170 -1.375) 2.496 7.702 ( 0.274 0.856 2.830) 2.970 7.735 ( -0.624 -0.529 2.194) 2.341 7.773 ( 1.221 2.137 -0.332) 2.483 7.815 ( 2.099 0.175 -3.197) 3.829 8.116 ( 0.446 0.498 0.058) 0.671 8.178 ( -1.394 -0.762 -2.176) 2.694 8.253 ( 1.166 0.550 -1.896) 2.293 8.280 ( 2.620 -0.413 -0.386) 2.680 8.320 ( 2.257 -0.679 -2.081) 3.145 8.360 ( 4.963 -2.280 2.738) 6.110 8.420 ( 6.707 3.067 0.899) 7.429 8.528 ( 5.040 -2.479 0.253) 5.622 8.600 ( 3.209 3.159 -0.093) 4.504 8.619 ( 2.926 3.478 -1.532) 4.797 8.674 ( 0.357 0.780 -1.876) 2.063 8.689 ( -2.470 -0.291 3.193) 4.048 8.804 ( -4.672 -0.815 1.207) 4.894 8.837 ( -4.498 -0.632 0.037) 4.542 9.033 ( 4.008 -0.908 1.014) 4.233 9.052 ( -2.361 -0.840 0.308) 2.525 9.084 ( 3.968 2.100 1.085) 4.618 9.110 ( 0.163 2.409 1.081) 2.646 9.186 ( 2.657 -0.625 1.594) 3.161 9.249 ( 3.865 0.150 0.611) 3.916 9.265 ( 5.308 -1.235 -1.018) 5.544 9.312 ( -0.281 -3.157 0.078) 3.170 9.416 ( 3.152 -1.555 0.771) 3.598 9.526 ( 4.558 -3.201 4.074) 6.900 9.579 ( -0.031 1.171 2.035) 2.349 9.682 ( -0.331 0.082 2.750) 2.771 9.787 ( -3.249 2.190 0.325) 3.931 9.876 ( -1.601 -0.664 -3.086) 3.539 9.929 ( -7.702 -1.238 1.229) 7.898 9.965 ( -2.864 -1.071 -0.790) 3.159 10.020 ( -10.918 1.558 1.782) 11.172 10.064 ( -3.365 -1.550 -0.621) 3.757 10.170 ( -4.375 1.703 -0.450) 4.716 10.183 ( -1.070 0.858 -1.652) 2.147 10.343 ( -3.551 1.576 -5.603) 6.818 10.419 ( -5.335 -1.748 -3.446) 6.587 10.544 ( -4.358 -1.022 0.002) 4.477 10.603 ( -2.864 -1.507 -1.933) 3.770 10.807 ( 3.484 2.241 1.268) 4.332 10.841 ( 2.737 0.049 0.120) 2.740 10.852 ( 1.105 1.369 1.076) 2.062 10.888 ( 0.134 1.392 0.617) 1.529 10.939 ( -2.140 1.370 -3.564) 4.377 11.026 ( -0.617 0.449 1.110) 1.347 11.083 ( -1.634 -3.188 -0.429) 3.608 11.110 ( -0.469 -2.329 0.938) 2.554 11.292 ( -1.186 0.213 1.367) 1.822 11.298 ( 1.210 0.223 -0.451) 1.310 11.351 ( -1.705 0.721 3.680) 4.120 11.364 ( -0.598 0.032 1.642) 1.748 11.616 ( 0.478 0.443 -0.031) 0.653 11.637 ( 0.906 0.725 -1.080) 1.585 11.674 ( 0.449 -0.335 -2.805) 2.860 11.710 ( -4.567 -1.772 -0.952) 4.990 11.966 ( -2.626 -0.873 1.956) 3.389 11.984 ( -1.498 -1.405 2.141) 2.967 12.050 ( 0.791 0.114 -0.988) 1.271 12.108 ( -0.617 -1.697 0.894) 2.015 12.208 ( 0.235 -0.067 0.569) 0.619 12.242 ( -0.148 -1.965 0.036) 1.971 12.318 ( 3.522 0.721 3.118) 4.759 12.361 ( 3.387 0.397 0.825) 3.508 12.396 ( 0.717 5.441 -0.029) 5.489 12.487 ( -0.623 0.144 -3.881) 3.934 12.542 ( -0.032 1.224 2.946) 3.190 12.578 ( 1.392 -0.803 2.083) 2.631 12.608 ( 2.192 -0.067 0.915) 2.377 12.659 ( 2.781 1.473 1.957) 3.706 12.681 ( 3.382 1.037 -0.653) 3.597 12.725 ( 3.254 0.292 -2.654) 4.209 12.789 ( 0.138 1.450 0.985) 1.758 12.821 ( 1.058 -0.822 0.876) 1.601 12.845 ( -1.534 -0.637 -1.931) 2.548 12.866 ( -1.756 -2.702 -0.509) 3.263 12.905 ( 0.665 1.557 3.447) 3.840 12.951 ( 2.706 0.358 -3.657) 4.563 13.057 ( 1.630 -1.064 0.531) 2.017 13.077 ( -0.189 -1.268 -1.550) 2.012 13.100 ( -2.920 0.086 -1.500) 3.283 13.197 ( 1.032 -3.450 -3.003) 4.689 13.283 ( 1.631 2.960 -4.274) 5.449 13.397 ( -0.759 1.526 -6.967) 7.173 13.739 ( 0.602 0.188 2.718) 2.790 13.864 ( 0.648 -3.631 -3.944) 5.399 13.963 ( 3.388 2.488 0.671) 4.257 14.029 ( -2.619 -0.593 2.716) 3.819 14.100 ( 0.060 0.174 3.414) 3.418 14.154 ( -1.729 -2.747 6.431) 7.204 14.266 ( 1.281 1.538 5.391) 5.751 14.305 ( 7.828 -0.538 -2.144) 8.134 14.426 ( -1.516 1.895 -1.098) 2.663 14.461 ( -3.578 0.130 0.225) 3.588 14.561 ( 5.969 -0.022 -4.268) 7.338 14.590 ( 2.711 -1.394 -0.040) 3.048 14.738 ( 0.181 1.005 0.647) 1.208 14.775 ( 0.298 -0.520 -3.670) 3.718 14.817 ( -2.779 0.368 0.579) 2.863 14.845 ( -7.651 -0.775 3.712) 8.539 ======================= Grid point 108 (61/69) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.293 -13.137 19.358) 23.396 1.568 ( 0.293 13.137 19.358) 23.396 1.680 ( 1.159 -15.749 18.283) 24.159 1.680 ( 1.159 15.749 18.283) 24.159 2.010 ( 2.497 -5.357 -13.874) 15.081 2.010 ( 2.497 5.357 -13.874) 15.081 2.188 ( -2.103 -9.687 -21.585) 23.752 2.188 ( -2.103 9.687 -21.585) 23.752 2.549 ( -0.535 -4.341 0.452) 4.397 2.549 ( -0.535 4.341 0.452) 4.397 2.666 ( -0.094 -2.549 -1.035) 2.753 2.666 ( -0.094 2.549 -1.035) 2.753 2.881 ( -1.649 -26.245 28.434) 38.730 2.881 ( -1.649 26.245 28.434) 38.730 3.103 ( -0.003 -6.091 -0.316) 6.099 3.103 ( -0.003 6.091 -0.316) 6.099 3.204 ( -1.184 -3.732 1.400) 4.158 3.204 ( -1.184 3.732 1.400) 4.158 3.278 ( -0.266 -2.020 -0.483) 2.094 3.278 ( -0.266 2.020 -0.483) 2.094 3.430 ( 1.827 -8.236 -12.588) 15.154 3.430 ( 1.827 8.236 -12.588) 15.154 3.576 ( 1.322 -7.097 -6.806) 9.921 3.576 ( 1.322 7.097 -6.806) 9.921 3.685 ( 0.277 -2.252 -1.269) 2.600 3.685 ( 0.277 2.252 -1.269) 2.600 3.731 ( -1.005 -1.722 -0.224) 2.006 3.731 ( -1.005 1.722 -0.224) 2.006 3.819 ( 0.427 -1.902 2.037) 2.820 3.819 ( 0.427 1.902 2.037) 2.820 3.872 ( -0.209 -2.465 0.335) 2.496 3.872 ( -0.209 2.465 0.335) 2.496 3.967 ( -0.460 -3.531 0.568) 3.606 3.967 ( -0.460 3.531 0.568) 3.606 4.040 ( -0.552 -1.255 1.250) 1.855 4.040 ( -0.552 1.255 1.250) 1.855 4.163 ( -1.271 -1.162 2.067) 2.691 4.163 ( -1.271 1.162 2.067) 2.691 4.197 ( 1.439 -3.075 -0.793) 3.486 4.197 ( 1.439 3.075 -0.793) 3.486 4.344 ( -1.495 -2.105 -5.204) 5.810 4.344 ( -1.495 2.105 -5.204) 5.810 4.453 ( 2.814 -4.545 2.938) 6.100 4.453 ( 2.814 4.545 2.938) 6.100 4.521 ( -0.185 -1.319 -1.121) 1.741 4.521 ( -0.185 1.319 -1.121) 1.741 4.571 ( -0.659 -4.492 -5.260) 6.948 4.571 ( -0.659 4.492 -5.260) 6.948 4.675 ( -1.654 -1.235 -0.333) 2.090 4.675 ( -1.654 1.235 -0.333) 2.090 4.752 ( 1.234 -0.985 -0.667) 1.714 4.752 ( 1.234 0.985 -0.667) 1.714 4.812 ( 0.034 -0.969 2.148) 2.356 4.812 ( 0.034 0.969 2.148) 2.356 4.941 ( -0.812 -2.018 0.760) 2.304 4.941 ( -0.812 2.018 0.760) 2.304 4.961 ( 0.893 -1.582 0.501) 1.885 4.961 ( 0.893 1.582 0.501) 1.885 5.044 ( -0.133 -0.498 -0.450) 0.684 5.044 ( -0.133 0.498 -0.450) 0.684 5.181 ( 0.125 -0.517 0.887) 1.034 5.181 ( 0.125 0.517 0.887) 1.034 5.202 ( -0.136 -1.212 1.394) 1.852 5.202 ( -0.136 1.212 1.394) 1.852 5.327 ( -0.874 -4.342 1.628) 4.719 5.327 ( -0.874 4.342 1.628) 4.719 5.352 ( 1.361 -4.932 0.004) 5.117 5.352 ( 1.361 4.932 0.004) 5.117 5.532 ( -0.454 -0.528 2.442) 2.539 5.532 ( -0.454 0.528 2.442) 2.539 5.584 ( -0.201 -0.640 -2.856) 2.934 5.584 ( -0.201 0.640 -2.856) 2.934 5.973 ( -0.709 -2.336 1.716) 2.984 5.973 ( -0.709 2.336 1.716) 2.984 6.035 ( 0.479 -1.574 -2.426) 2.931 6.035 ( 0.479 1.574 -2.426) 2.931 6.498 ( -0.300 -0.266 -0.089) 0.411 6.498 ( -0.300 0.266 -0.089) 0.411 6.720 ( -0.270 -1.011 -0.821) 1.330 6.720 ( -0.270 1.011 -0.821) 1.330 6.930 ( -2.677 -0.493 4.370) 5.148 6.930 ( -2.677 0.493 4.370) 5.148 7.026 ( 4.408 -1.066 -4.628) 6.480 7.026 ( 4.408 1.066 -4.628) 6.480 7.267 ( -1.492 -0.890 1.361) 2.207 7.267 ( -1.492 0.890 1.361) 2.207 7.386 ( 0.113 -1.097 -2.205) 2.465 7.386 ( 0.113 1.097 -2.205) 2.465 7.525 ( -0.515 -0.181 -0.785) 0.956 7.525 ( -0.515 0.181 -0.785) 0.956 7.739 ( -1.303 -0.326 3.370) 3.627 7.739 ( -1.303 0.326 3.370) 3.627 7.808 ( 0.859 -0.945 -2.754) 3.036 7.808 ( 0.859 0.945 -2.754) 3.036 8.132 ( 0.075 -0.999 -0.732) 1.241 8.132 ( 0.075 0.999 -0.732) 1.241 8.278 ( -0.748 -0.937 -0.565) 1.325 8.278 ( -0.748 0.937 -0.565) 1.325 8.348 ( 0.452 -0.398 0.248) 0.652 8.348 ( 0.452 0.398 0.248) 0.652 8.595 ( 1.444 -1.705 0.936) 2.423 8.595 ( 1.444 1.705 0.936) 2.423 8.665 ( -2.258 -0.342 2.571) 3.439 8.665 ( -2.258 0.342 2.571) 3.439 8.721 ( 2.798 -0.689 -2.956) 4.128 8.721 ( 2.798 0.689 -2.956) 4.128 8.753 ( 0.549 -2.011 -1.010) 2.316 8.753 ( 0.549 2.011 -1.010) 2.316 9.007 ( -1.749 -0.361 0.056) 1.787 9.007 ( -1.749 0.361 0.056) 1.787 9.172 ( 2.233 -1.803 1.794) 3.384 9.172 ( 2.233 1.803 1.794) 3.384 9.190 ( -1.168 -1.050 0.385) 1.617 9.190 ( -1.168 1.050 0.385) 1.617 9.326 ( 0.720 -0.728 0.856) 1.334 9.326 ( 0.720 0.728 0.856) 1.334 9.549 ( -3.003 -0.520 1.937) 3.611 9.549 ( -3.003 0.520 1.937) 3.611 9.621 ( 3.910 -3.577 1.759) 5.584 9.621 ( 3.910 3.577 1.759) 5.584 9.760 ( -2.336 -1.493 0.664) 2.851 9.760 ( -2.336 1.493 0.664) 2.851 9.926 ( -0.916 -0.797 0.217) 1.233 9.926 ( -0.916 0.797 0.217) 1.233 10.000 ( 1.464 -2.439 0.334) 2.864 10.000 ( 1.464 2.439 0.334) 2.864 10.150 ( 2.091 -1.497 -3.734) 4.534 10.150 ( 2.091 1.497 -3.734) 4.534 10.291 ( -1.409 -1.156 -2.048) 2.742 10.291 ( -1.409 1.156 -2.048) 2.742 10.513 ( -0.978 -1.048 -1.129) 1.824 10.513 ( -0.978 1.048 -1.129) 1.824 10.867 ( -0.409 -0.856 -0.640) 1.144 10.867 ( -0.409 0.856 -0.640) 1.144 10.909 ( 0.935 -0.493 -0.402) 1.131 10.909 ( 0.935 0.493 -0.402) 1.131 10.977 ( 0.457 -3.861 3.318) 5.111 10.977 ( 0.457 3.861 3.318) 5.111 11.039 ( -0.998 -3.687 -1.526) 4.113 11.039 ( -0.998 3.687 -1.526) 4.113 11.292 ( -3.289 -2.796 4.457) 6.205 11.292 ( -3.289 2.796 4.457) 6.205 11.368 ( -1.129 -0.470 1.946) 2.298 11.368 ( -1.129 0.470 1.946) 2.298 11.644 ( 1.730 -0.477 -1.651) 2.439 11.644 ( 1.730 0.477 -1.651) 2.439 11.668 ( 3.059 -0.914 -3.470) 4.715 11.668 ( 3.059 0.914 -3.470) 4.715 11.965 ( -0.945 -0.759 2.626) 2.892 11.965 ( -0.945 0.759 2.626) 2.892 12.066 ( 0.897 -0.913 -1.483) 1.959 12.066 ( 0.897 0.913 -1.483) 1.959 12.212 ( 0.236 -0.760 -0.508) 0.944 12.212 ( 0.236 0.760 -0.508) 0.944 12.411 ( 0.229 -1.073 2.376) 2.617 12.411 ( 0.229 1.073 2.376) 2.617 12.449 ( 0.442 -1.250 -2.544) 2.869 12.449 ( 0.442 1.250 -2.544) 2.869 12.580 ( 0.131 -0.202 1.305) 1.327 12.580 ( 0.131 0.202 1.305) 1.327 12.647 ( -2.375 -2.414 0.910) 3.507 12.647 ( -2.375 2.414 0.910) 3.507 12.740 ( 0.529 -1.376 -0.493) 1.555 12.740 ( 0.529 1.376 -0.493) 1.555 12.797 ( -0.235 -0.483 0.615) 0.816 12.797 ( -0.235 0.483 0.615) 0.816 12.860 ( -0.485 -1.195 2.989) 3.255 12.860 ( -0.485 1.195 2.989) 3.255 12.933 ( 0.351 -0.101 -2.808) 2.831 12.933 ( 0.351 0.101 -2.808) 2.831 13.046 ( 0.535 -0.549 -0.949) 1.220 13.046 ( 0.535 0.549 -0.949) 1.220 13.166 ( 3.358 -2.262 -0.557) 4.086 13.166 ( 3.358 2.262 -0.557) 4.086 13.297 ( 0.309 -1.792 -7.159) 7.386 13.297 ( 0.309 1.792 -7.159) 7.386 13.790 ( -0.326 -2.463 0.037) 2.485 13.790 ( -0.326 2.463 0.037) 2.485 13.992 ( -2.030 -0.763 2.766) 3.515 13.992 ( -2.030 0.763 2.766) 3.515 14.132 ( -2.918 -0.955 5.648) 6.428 14.132 ( -2.918 0.955 5.648) 6.428 14.357 ( 0.172 -1.359 -2.149) 2.549 14.357 ( 0.172 1.359 -2.149) 2.549 14.418 ( 1.053 -1.201 0.442) 1.657 14.418 ( 1.053 1.201 0.442) 1.657 14.603 ( -0.941 -0.720 -0.429) 1.260 14.603 ( -0.941 0.720 -0.429) 1.260 14.762 ( -1.190 -0.613 0.374) 1.390 14.762 ( -1.190 0.613 0.374) 1.390 14.785 ( 3.039 -0.986 -0.956) 3.335 14.785 ( 3.039 0.986 -0.956) 3.335 ======================= Grid point 110 (62/69) ======================= q-point: ( 0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 9.102 -8.927 3.194) 13.143 1.787 ( 9.102 8.927 3.194) 13.143 1.880 ( 12.032 -2.266 -2.132) 12.427 1.880 ( 12.032 2.266 -2.132) 12.427 2.038 ( 5.010 -3.263 -5.179) 7.910 2.038 ( 5.010 3.263 -5.179) 7.910 2.079 ( 9.542 -3.745 0.781) 10.281 2.079 ( 9.542 3.745 0.781) 10.281 2.567 ( 2.076 -1.015 0.970) 2.506 2.567 ( 2.076 1.015 0.970) 2.506 2.669 ( 1.306 -0.761 -0.559) 1.611 2.669 ( 1.306 0.761 -0.559) 1.611 3.092 ( 1.592 -8.159 0.936) 8.365 3.092 ( 1.592 8.159 0.936) 8.365 3.164 ( 4.516 -10.325 15.304) 19.006 3.164 ( 4.516 10.325 15.304) 19.006 3.214 ( 2.177 -3.691 1.395) 4.507 3.214 ( 2.177 3.691 1.395) 4.507 3.305 ( 3.889 -2.631 1.722) 5.001 3.305 ( 3.889 2.631 1.722) 5.001 3.360 ( 5.970 -11.959 -15.326) 20.336 3.360 ( 5.970 11.959 -15.326) 20.336 3.575 ( 2.258 -1.631 -2.362) 3.652 3.575 ( 2.258 1.631 -2.362) 3.652 3.641 ( -2.461 -2.822 0.379) 3.764 3.641 ( -2.461 2.822 0.379) 3.764 3.735 ( -2.193 -3.496 1.786) 4.497 3.735 ( -2.193 3.496 1.786) 4.497 3.795 ( -1.401 -1.680 -1.360) 2.576 3.795 ( -1.401 1.680 -1.360) 2.576 3.898 ( -0.302 -1.565 0.581) 1.697 3.898 ( -0.302 1.565 0.581) 1.697 3.933 ( -1.623 -3.039 1.548) 3.777 3.933 ( -1.623 3.039 1.548) 3.777 4.055 ( -0.998 -1.942 1.057) 2.425 4.055 ( -0.998 1.942 1.057) 2.425 4.114 ( -2.797 -2.421 -0.292) 3.711 4.114 ( -2.797 2.421 -0.292) 3.711 4.205 ( -2.620 -4.914 -2.063) 5.939 4.205 ( -2.620 4.914 -2.063) 5.939 4.300 ( 0.064 -3.587 2.605) 4.434 4.300 ( 0.064 3.587 2.605) 4.434 4.443 ( -3.548 -3.490 -3.876) 6.308 4.443 ( -3.548 3.490 -3.876) 6.308 4.476 ( -2.550 -1.150 0.647) 2.871 4.476 ( -2.550 1.150 0.647) 2.871 4.559 ( -0.837 -1.043 0.304) 1.372 4.559 ( -0.837 1.043 0.304) 1.372 4.654 ( 0.326 -1.091 0.605) 1.290 4.654 ( 0.326 1.091 0.605) 1.290 4.781 ( -3.449 -1.891 0.358) 3.949 4.781 ( -3.449 1.891 0.358) 3.949 4.790 ( 2.885 -2.084 -0.512) 3.596 4.790 ( 2.885 2.084 -0.512) 3.596 4.907 ( -3.759 -3.696 0.822) 5.336 4.907 ( -3.759 3.696 0.822) 5.336 4.967 ( 0.117 -2.514 -0.562) 2.579 4.967 ( 0.117 2.514 -0.562) 2.579 5.069 ( 1.911 -2.766 -0.052) 3.363 5.069 ( 1.911 2.766 -0.052) 3.363 5.160 ( -2.072 -4.500 -0.015) 4.954 5.160 ( -2.072 4.500 -0.015) 4.954 5.210 ( 0.193 -2.313 0.397) 2.355 5.210 ( 0.193 2.313 0.397) 2.355 5.318 ( -0.957 -3.874 -0.146) 3.993 5.318 ( -0.957 3.874 -0.146) 3.993 5.408 ( 3.918 -5.559 -0.521) 6.821 5.408 ( 3.918 5.559 -0.521) 6.821 5.516 ( -2.769 -1.346 0.755) 3.170 5.516 ( -2.769 1.346 0.755) 3.170 5.568 ( 0.108 -0.943 0.208) 0.971 5.568 ( 0.108 0.943 0.208) 0.971 5.992 ( 1.279 -1.309 1.402) 2.306 5.992 ( 1.279 1.309 1.402) 2.306 6.047 ( 2.510 -1.405 -1.061) 3.065 6.047 ( 2.510 1.405 -1.061) 3.065 6.490 ( -1.008 -0.602 0.564) 1.302 6.490 ( -1.008 0.602 0.564) 1.302 6.665 ( -4.996 -3.589 0.112) 6.153 6.665 ( -4.996 3.589 0.112) 6.153 6.900 ( -4.007 -1.952 2.533) 5.127 6.900 ( -4.007 1.952 2.533) 5.127 7.039 ( 1.698 -2.759 -5.347) 6.252 7.039 ( 1.698 2.759 -5.347) 6.252 7.282 ( 0.386 -3.333 2.730) 4.326 7.282 ( 0.386 3.333 2.730) 4.326 7.390 ( 2.264 -3.583 -0.558) 4.275 7.390 ( 2.264 3.583 -0.558) 4.275 7.543 ( 1.952 -0.259 0.550) 2.044 7.543 ( 1.952 0.259 0.550) 2.044 7.735 ( -1.989 -1.432 2.640) 3.602 7.735 ( -1.989 1.432 2.640) 3.602 7.797 ( 0.277 -0.864 -2.119) 2.305 7.797 ( 0.277 0.864 -2.119) 2.305 8.133 ( 0.432 -0.560 -0.085) 0.712 8.133 ( 0.432 0.560 -0.085) 0.712 8.234 ( -3.430 -1.484 1.113) 3.899 8.234 ( -3.430 1.484 1.113) 3.899 8.353 ( -1.330 -3.102 -0.871) 3.486 8.353 ( -1.330 3.102 -0.871) 3.486 8.501 ( -7.473 -1.379 -1.257) 7.702 8.501 ( -7.473 1.379 -1.257) 7.702 8.625 ( -2.721 -0.837 1.120) 3.060 8.625 ( -2.721 0.837 1.120) 3.060 8.687 ( -1.986 -4.153 -0.508) 4.631 8.687 ( -1.986 4.153 -0.508) 4.631 8.836 ( 6.098 -1.662 -1.730) 6.553 8.836 ( 6.098 1.662 -1.730) 6.553 9.013 ( 0.222 -0.653 3.519) 3.586 9.013 ( 0.222 0.653 3.519) 3.586 9.154 ( -1.359 -0.457 -3.757) 4.021 9.154 ( -1.359 0.457 -3.757) 4.021 9.192 ( -5.867 -1.670 0.944) 6.173 9.192 ( -5.867 1.670 0.944) 6.173 9.285 ( -0.887 -1.680 -0.628) 2.000 9.285 ( -0.887 1.680 -0.628) 2.000 9.482 ( -4.202 -5.312 0.484) 6.790 9.482 ( -4.202 5.312 0.484) 6.790 9.692 ( -1.155 -4.285 -1.671) 4.743 9.692 ( -1.155 4.285 -1.671) 4.743 9.792 ( 5.656 -3.409 3.139) 7.312 9.792 ( 5.656 3.409 3.139) 7.312 9.940 ( 0.489 -0.608 0.060) 0.783 9.940 ( 0.489 0.608 0.060) 0.783 10.062 ( 6.565 -1.413 -1.511) 6.883 10.062 ( 6.565 1.413 -1.511) 6.883 10.196 ( 6.378 -0.951 -2.946) 7.090 10.196 ( 6.378 0.951 -2.946) 7.090 10.316 ( 5.124 -2.102 1.927) 5.864 10.316 ( 5.124 2.102 1.927) 5.864 10.539 ( 3.570 -1.249 1.352) 4.017 10.539 ( 3.570 1.249 1.352) 4.017 10.827 ( -3.891 -0.618 0.128) 3.942 10.827 ( -3.891 0.618 0.128) 3.942 10.883 ( -1.567 -0.975 -0.241) 1.861 10.883 ( -1.567 0.975 -0.241) 1.861 11.015 ( 0.355 -4.068 -0.634) 4.133 11.015 ( 0.355 4.068 -0.634) 4.133 11.059 ( 3.795 -0.795 1.425) 4.131 11.059 ( 3.795 0.795 1.425) 4.131 11.253 ( -5.272 -4.566 3.523) 7.813 11.253 ( -5.272 4.566 3.523) 7.813 11.363 ( -1.020 -0.251 2.243) 2.477 11.363 ( -1.020 0.251 2.243) 2.477 11.672 ( 3.516 -0.139 -3.162) 4.731 11.672 ( 3.516 0.139 -3.162) 4.731 11.707 ( 4.931 -1.284 -3.626) 6.254 11.707 ( 4.931 1.284 -3.626) 6.254 11.970 ( -0.906 -0.585 2.137) 2.393 11.970 ( -0.906 0.585 2.137) 2.393 12.080 ( 2.185 -1.621 -1.777) 3.249 12.080 ( 2.185 1.621 -1.777) 3.249 12.215 ( 0.466 -0.451 -0.556) 0.854 12.215 ( 0.466 0.451 -0.556) 0.854 12.376 ( -3.374 -1.052 -0.949) 3.659 12.376 ( -3.374 1.052 -0.949) 3.659 12.448 ( -0.480 -1.015 0.246) 1.149 12.448 ( -0.480 1.015 0.246) 1.149 12.577 ( -2.245 -0.460 2.014) 3.051 12.577 ( -2.245 0.460 2.014) 3.051 12.633 ( -1.156 -0.652 0.965) 1.641 12.633 ( -1.156 0.652 0.965) 1.641 12.687 ( -5.267 -0.533 0.439) 5.312 12.687 ( -5.267 0.533 0.439) 5.312 12.802 ( 0.045 -0.766 0.270) 0.814 12.802 ( 0.045 0.766 0.270) 0.814 12.850 ( -0.681 -0.899 -0.018) 1.128 12.850 ( -0.681 0.899 -0.018) 1.128 12.944 ( 2.220 -1.941 -1.382) 3.257 12.944 ( 2.220 1.941 -1.382) 3.257 13.069 ( 2.366 -1.294 -1.115) 2.918 13.069 ( 2.366 1.294 -1.115) 2.918 13.156 ( -0.685 -2.346 -4.201) 4.860 13.156 ( -0.685 2.346 -4.201) 4.860 13.307 ( 4.039 -2.873 -2.059) 5.367 13.307 ( 4.039 2.873 -2.059) 5.367 13.770 ( -2.449 -1.322 1.246) 3.049 13.770 ( -2.449 1.322 1.246) 3.049 14.000 ( 0.012 -2.583 2.922) 3.900 14.000 ( 0.012 2.583 2.922) 3.900 14.111 ( -5.170 -2.703 5.537) 8.043 14.111 ( -5.170 2.703 5.537) 8.043 14.291 ( -4.147 -2.437 -1.404) 5.011 14.291 ( -4.147 2.437 -1.404) 5.011 14.460 ( -0.173 -1.741 2.270) 2.866 14.460 ( -0.173 1.741 2.270) 2.866 14.564 ( 0.459 -3.373 -3.288) 4.732 14.564 ( 0.459 3.373 -3.288) 4.732 14.732 ( -1.900 -0.586 1.375) 2.417 14.732 ( -1.900 0.586 1.375) 2.417 14.875 ( 6.840 -3.014 -2.490) 7.879 14.875 ( 6.840 3.014 -2.490) 7.879 ======================= Grid point 112 (63/69) ======================= q-point: ( 0.22 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 11.502 -6.445 -15.377) 20.255 1.867 ( 11.502 6.445 -15.377) 20.255 2.070 ( 17.247 -2.034 -12.391) 21.334 2.070 ( 17.247 2.034 -12.391) 21.334 2.235 ( 13.841 -7.867 4.393) 16.516 2.235 ( 13.841 7.867 4.393) 16.516 2.355 ( 9.475 -14.146 16.901) 23.990 2.355 ( 9.475 14.146 16.901) 23.990 2.624 ( 2.559 -2.246 -0.061) 3.406 2.624 ( 2.559 2.246 -0.061) 3.406 2.725 ( 5.869 -5.138 2.654) 8.240 2.725 ( 5.869 5.138 2.654) 8.240 3.120 ( 1.335 -7.134 0.540) 7.278 3.120 ( 1.335 7.134 0.540) 7.278 3.227 ( 3.532 -6.728 -3.908) 8.545 3.227 ( 3.532 6.728 -3.908) 8.545 3.292 ( 2.764 -1.708 -2.830) 4.309 3.292 ( 2.764 1.708 -2.830) 4.309 3.369 ( 4.652 -6.457 -5.743) 9.814 3.369 ( 4.652 6.457 -5.743) 9.814 3.469 ( 4.981 -3.394 3.402) 6.921 3.469 ( 4.981 3.394 3.402) 6.921 3.589 ( 3.083 -4.357 -2.484) 5.887 3.589 ( 3.083 4.357 -2.484) 5.887 3.635 ( -2.157 -4.254 1.626) 5.039 3.635 ( -2.157 4.254 1.626) 5.039 3.674 ( -2.997 -1.308 1.241) 3.498 3.674 ( -2.997 1.308 1.241) 3.498 3.789 ( 1.287 -3.489 0.805) 3.805 3.789 ( 1.287 3.489 0.805) 3.805 3.892 ( -0.806 -1.047 4.355) 4.551 3.892 ( -0.806 1.047 4.355) 4.551 3.932 ( -2.720 -1.282 2.663) 4.017 3.932 ( -2.720 1.282 2.663) 4.017 4.033 ( -2.497 -3.940 1.981) 5.068 4.033 ( -2.497 3.940 1.981) 5.068 4.059 ( -0.446 -3.626 -2.672) 4.527 4.059 ( -0.446 3.626 -2.672) 4.527 4.151 ( -0.705 -2.189 -1.368) 2.676 4.151 ( -0.705 2.189 -1.368) 2.676 4.284 ( -3.427 -2.040 -0.992) 4.110 4.284 ( -3.427 2.040 -0.992) 4.110 4.366 ( -4.862 -2.471 -0.125) 5.455 4.366 ( -4.862 2.471 -0.125) 5.455 4.442 ( -1.416 -3.904 2.975) 5.109 4.442 ( -1.416 3.904 2.975) 5.109 4.536 ( -1.130 -0.953 0.427) 1.538 4.536 ( -1.130 0.953 0.427) 1.538 4.640 ( -2.888 -2.048 -0.333) 3.556 4.640 ( -2.888 2.048 -0.333) 3.556 4.744 ( -1.141 -0.137 -0.179) 1.163 4.744 ( -1.141 0.137 -0.179) 1.163 4.828 ( -1.476 -1.419 1.749) 2.692 4.828 ( -1.476 1.419 1.749) 2.692 4.864 ( 1.612 -3.937 -0.777) 4.325 4.864 ( 1.612 3.937 -0.777) 4.325 4.949 ( -2.073 -1.861 0.401) 2.815 4.949 ( -2.073 1.861 0.401) 2.815 5.083 ( 0.182 -5.103 -1.190) 5.243 5.083 ( 0.182 5.103 -1.190) 5.243 5.138 ( -0.187 -2.740 -0.870) 2.880 5.138 ( -0.187 2.740 -0.870) 2.880 5.204 ( -1.663 -2.396 1.504) 3.281 5.204 ( -1.663 2.396 1.504) 3.281 5.295 ( -0.803 -4.604 -1.119) 4.805 5.295 ( -0.803 4.604 -1.119) 4.805 5.419 ( -2.511 -2.252 -0.338) 3.390 5.419 ( -2.511 2.252 -0.338) 3.390 5.511 ( 2.664 -1.952 -0.842) 3.409 5.511 ( 2.664 1.952 -0.842) 3.409 5.575 ( -0.124 -1.271 0.861) 1.540 5.575 ( -0.124 1.271 0.861) 1.540 6.039 ( 3.077 -0.989 0.284) 3.245 6.039 ( 3.077 0.989 0.284) 3.245 6.095 ( 3.147 -0.697 0.566) 3.273 6.095 ( 3.147 0.697 0.566) 3.273 6.461 ( -3.643 -1.088 1.279) 4.012 6.461 ( -3.643 1.088 1.279) 4.012 6.580 ( -3.907 -4.773 -0.421) 6.182 6.580 ( -3.907 4.773 -0.421) 6.182 6.824 ( -5.321 -1.330 -0.902) 5.558 6.824 ( -5.321 1.330 -0.902) 5.558 7.026 ( 1.132 -2.464 -1.914) 3.319 7.026 ( 1.132 2.464 -1.914) 3.319 7.301 ( -1.172 -1.905 3.044) 3.777 7.301 ( -1.172 1.905 3.044) 3.777 7.443 ( 3.552 -3.700 -0.901) 5.207 7.443 ( 3.552 3.700 -0.901) 5.207 7.566 ( -0.943 -0.934 1.704) 2.160 7.566 ( -0.943 0.934 1.704) 2.160 7.716 ( -1.373 -1.410 -0.275) 1.987 7.716 ( -1.373 1.410 -0.275) 1.987 7.789 ( 1.283 -0.916 -1.878) 2.452 7.789 ( 1.283 0.916 -1.878) 2.452 8.130 ( -1.600 -3.032 -0.153) 3.431 8.130 ( -1.600 3.032 -0.153) 3.431 8.219 ( -1.079 -0.837 3.348) 3.616 8.219 ( -1.079 0.837 3.348) 3.616 8.267 ( -2.782 -2.365 -0.782) 3.734 8.267 ( -2.782 2.365 -0.782) 3.734 8.448 ( -0.372 -4.954 -0.337) 4.980 8.448 ( -0.372 4.954 -0.337) 4.980 8.597 ( -1.729 -3.598 0.658) 4.046 8.597 ( -1.729 3.598 0.658) 4.046 8.645 ( -2.354 -2.442 1.283) 3.627 8.645 ( -2.354 2.442 1.283) 3.627 8.899 ( -0.227 -1.647 -1.161) 2.028 8.899 ( -0.227 1.647 -1.161) 2.028 8.947 ( -8.434 -3.761 0.059) 9.234 8.947 ( -8.434 3.761 0.059) 9.234 9.082 ( -4.031 -1.198 -1.966) 4.642 9.082 ( -4.031 1.198 -1.966) 4.642 9.156 ( 4.935 -0.833 0.924) 5.089 9.156 ( 4.935 0.833 0.924) 5.089 9.274 ( -3.293 -2.255 -0.847) 4.080 9.274 ( -3.293 2.255 -0.847) 4.080 9.421 ( 0.232 -2.564 -2.110) 3.328 9.421 ( 0.232 2.564 -2.110) 3.328 9.651 ( -1.884 -3.749 0.043) 4.196 9.651 ( -1.884 3.749 0.043) 4.196 9.867 ( 0.362 -1.314 1.767) 2.231 9.867 ( 0.362 1.314 1.767) 2.231 9.955 ( 2.309 -4.940 0.446) 5.472 9.955 ( 2.309 4.940 0.446) 5.472 10.159 ( 3.753 -3.692 0.082) 5.266 10.159 ( 3.753 3.692 0.082) 5.266 10.280 ( 5.068 -3.019 -1.235) 6.027 10.280 ( 5.068 3.019 -1.235) 6.027 10.510 ( 13.574 -3.228 0.756) 13.973 10.510 ( 13.574 3.228 0.756) 13.973 10.601 ( 0.933 -0.521 -0.707) 1.281 10.601 ( 0.933 0.521 -0.707) 1.281 10.779 ( -0.812 -1.566 1.921) 2.608 10.779 ( -0.812 1.566 1.921) 2.608 10.861 ( -1.498 -1.121 1.456) 2.371 10.861 ( -1.498 1.121 1.456) 2.371 11.039 ( 2.488 -3.781 0.546) 4.559 11.039 ( 2.488 3.781 0.546) 4.559 11.111 ( 1.253 -1.102 -1.252) 2.085 11.111 ( 1.253 1.102 -1.252) 2.085 11.184 ( -4.993 -4.657 3.140) 7.515 11.184 ( -4.993 4.657 3.140) 7.515 11.385 ( 1.954 -0.346 1.367) 2.410 11.385 ( 1.954 0.346 1.367) 2.410 11.702 ( 3.461 -0.634 -3.881) 5.239 11.702 ( 3.461 0.634 -3.881) 5.239 11.776 ( 5.943 -1.533 -2.354) 6.574 11.776 ( 5.943 1.533 -2.354) 6.574 11.976 ( -0.420 -0.915 2.130) 2.356 11.976 ( -0.420 0.915 2.130) 2.356 12.106 ( 2.276 -2.587 -1.621) 3.808 12.106 ( 2.276 2.587 -1.621) 3.808 12.207 ( -1.248 -0.714 -0.915) 1.704 12.207 ( -1.248 0.714 -0.915) 1.704 12.306 ( -2.681 -1.151 -1.825) 3.441 12.306 ( -2.681 1.151 -1.825) 3.441 12.429 ( -2.888 -2.865 1.128) 4.221 12.429 ( -2.888 2.865 1.128) 4.221 12.520 ( -7.800 -1.441 0.058) 7.932 12.520 ( -7.800 1.441 0.058) 7.932 12.560 ( -3.286 -2.871 3.246) 5.439 12.560 ( -3.286 2.871 3.246) 5.439 12.675 ( 1.608 -1.199 -1.034) 2.257 12.675 ( 1.608 1.199 -1.034) 2.257 12.784 ( -1.713 -2.534 -0.010) 3.059 12.784 ( -1.713 2.534 -0.010) 3.059 12.861 ( 1.338 -1.194 0.162) 1.800 12.861 ( 1.338 1.194 0.162) 1.800 12.968 ( 2.406 -2.803 -2.433) 4.423 12.968 ( 2.406 2.803 -2.433) 4.423 13.064 ( 0.328 -1.210 -4.567) 4.736 13.064 ( 0.328 1.210 -4.567) 4.736 13.152 ( 2.152 -2.416 0.110) 3.238 13.152 ( 2.152 2.416 0.110) 3.238 13.342 ( 1.044 -4.613 -0.266) 4.737 13.342 ( 1.044 4.613 -0.266) 4.737 13.737 ( -3.475 -4.266 2.663) 6.113 13.737 ( -3.475 4.266 2.663) 6.113 14.010 ( -2.508 -3.906 0.813) 4.712 14.010 ( -2.508 3.906 0.813) 4.712 14.067 ( -3.338 -2.224 3.229) 5.149 14.067 ( -3.338 2.224 3.229) 5.149 14.206 ( -4.534 -1.196 0.485) 4.714 14.206 ( -4.534 1.196 0.485) 4.714 14.460 ( -1.561 -2.089 3.855) 4.654 14.460 ( -1.561 2.089 3.855) 4.654 14.553 ( 1.476 -1.282 -5.273) 5.624 14.553 ( 1.476 1.282 -5.273) 5.624 14.737 ( 0.432 -1.252 2.758) 3.060 14.737 ( 0.432 1.252 2.758) 3.060 14.956 ( 5.406 -4.019 -3.532) 7.606 14.956 ( 5.406 4.019 -3.532) 7.606 ======================= Grid point 114 (64/69) ======================= q-point: ( 0.33 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 14.168 -5.820 -8.527) 17.531 1.988 ( 14.168 5.820 -8.527) 17.531 2.278 ( 16.809 -4.449 -9.017) 19.587 2.278 ( 16.809 4.449 -9.017) 19.587 2.446 ( 8.678 -10.634 -0.506) 13.735 2.446 ( 8.678 10.634 -0.506) 13.735 2.647 ( 3.288 -2.978 0.199) 4.441 2.647 ( 3.288 2.978 0.199) 4.441 2.689 ( 12.190 -6.408 10.417) 17.268 2.689 ( 12.190 6.408 10.417) 17.268 2.896 ( 6.048 -7.806 5.598) 11.351 2.896 ( 6.048 7.806 5.598) 11.351 3.111 ( -4.092 -5.742 -0.229) 7.055 3.111 ( -4.092 5.742 -0.229) 7.055 3.236 ( 0.774 -5.096 -3.534) 6.249 3.236 ( 0.774 5.096 -3.534) 6.249 3.267 ( -3.381 -4.723 -4.737) 7.496 3.267 ( -3.381 4.723 -4.737) 7.496 3.335 ( -2.267 -2.209 3.150) 4.466 3.335 ( -2.267 2.209 3.150) 4.466 3.509 ( -0.591 -6.976 -1.998) 7.281 3.509 ( -0.591 6.976 -1.998) 7.281 3.603 ( -0.196 -2.728 0.783) 2.845 3.603 ( -0.196 2.728 0.783) 2.845 3.650 ( 5.865 -4.952 -3.582) 8.471 3.650 ( 5.865 4.952 -3.582) 8.471 3.682 ( -0.172 -2.053 1.682) 2.660 3.682 ( -0.172 2.053 1.682) 2.660 3.821 ( -0.248 -2.651 -1.008) 2.847 3.821 ( -0.248 2.651 -1.008) 2.847 3.891 ( 0.994 -0.258 1.558) 1.866 3.891 ( 0.994 0.258 1.558) 1.866 3.934 ( 0.260 -0.524 0.362) 0.688 3.934 ( 0.260 0.524 0.362) 0.688 4.003 ( -0.655 -1.391 1.419) 2.092 4.003 ( -0.655 1.391 1.419) 2.092 4.074 ( 2.213 -1.161 -3.704) 4.468 4.074 ( 2.213 1.161 -3.704) 4.468 4.148 ( 0.885 -3.060 -2.102) 3.816 4.148 ( 0.885 3.060 -2.102) 3.816 4.232 ( -2.601 -4.200 1.101) 5.061 4.232 ( -2.601 4.200 1.101) 5.061 4.300 ( -0.717 -1.620 3.252) 3.703 4.300 ( -0.717 1.620 3.252) 3.703 4.432 ( -2.123 -4.532 0.766) 5.063 4.432 ( -2.123 4.532 0.766) 5.063 4.542 ( -2.055 -1.428 -0.701) 2.599 4.542 ( -2.055 1.428 -0.701) 2.599 4.603 ( 0.525 -2.583 5.096) 5.737 4.603 ( 0.525 2.583 5.096) 5.737 4.686 ( -5.134 -1.285 -0.417) 5.309 4.686 ( -5.134 1.285 -0.417) 5.309 4.801 ( -2.544 -2.748 -1.513) 4.039 4.801 ( -2.544 2.748 -1.513) 4.039 4.881 ( -0.953 -0.923 1.665) 2.129 4.881 ( -0.953 0.923 1.665) 2.129 4.949 ( 2.063 -3.682 1.830) 4.600 4.949 ( 2.063 3.682 1.830) 4.600 5.067 ( -0.418 -3.961 -1.210) 4.163 5.067 ( -0.418 3.961 -1.210) 4.163 5.116 ( -1.545 -1.043 -0.772) 2.017 5.116 ( -1.545 1.043 -0.772) 2.017 5.199 ( -0.873 -1.958 2.785) 3.515 5.199 ( -0.873 1.958 2.785) 3.515 5.273 ( -1.081 -3.503 -0.037) 3.667 5.273 ( -1.081 3.503 -0.037) 3.667 5.373 ( -1.321 -1.002 -1.684) 2.363 5.373 ( -1.321 1.002 -1.684) 2.363 5.532 ( 0.207 -2.196 -1.743) 2.812 5.532 ( 0.207 2.196 -1.743) 2.812 5.585 ( 1.067 -1.590 0.051) 1.915 5.585 ( 1.067 1.590 0.051) 1.915 6.094 ( 3.251 -0.844 -0.567) 3.406 6.094 ( 3.251 0.844 -0.567) 3.406 6.161 ( 3.289 -0.584 0.938) 3.469 6.161 ( 3.289 0.584 0.938) 3.469 6.395 ( -4.890 -0.630 2.394) 5.481 6.395 ( -4.890 0.630 2.394) 5.481 6.523 ( -1.981 -4.039 -1.644) 4.790 6.523 ( -1.981 4.039 -1.644) 4.790 6.726 ( -4.103 -1.006 -1.649) 4.535 6.726 ( -4.103 1.006 -1.649) 4.535 7.046 ( 1.679 -1.796 0.509) 2.511 7.046 ( 1.679 1.796 0.509) 2.511 7.304 ( -1.540 -2.107 3.465) 4.337 7.304 ( -1.540 2.107 3.465) 4.337 7.457 ( -0.798 -1.321 -1.820) 2.386 7.457 ( -0.798 1.321 -1.820) 2.386 7.563 ( -0.608 -1.608 1.976) 2.619 7.563 ( -0.608 1.608 1.976) 2.619 7.680 ( -1.291 -2.466 -3.189) 4.233 7.680 ( -1.291 2.466 -3.189) 4.233 7.818 ( 4.109 -1.012 -1.728) 4.571 7.818 ( 4.109 1.012 -1.728) 4.571 8.089 ( -1.633 -1.259 -0.138) 2.066 8.089 ( -1.633 1.259 -0.138) 2.066 8.195 ( -1.532 -2.483 0.240) 2.927 8.195 ( -1.532 2.483 0.240) 2.927 8.311 ( 1.563 -2.522 2.295) 3.751 8.311 ( 1.563 2.522 2.295) 3.751 8.418 ( -2.448 -6.628 -0.093) 7.066 8.418 ( -2.448 6.628 -0.093) 7.066 8.557 ( -2.541 -4.907 -0.652) 5.564 8.557 ( -2.541 4.907 -0.652) 5.564 8.655 ( 0.218 -2.685 3.114) 4.117 8.655 ( 0.218 2.685 3.114) 4.117 8.770 ( -6.511 -2.770 2.657) 7.558 8.770 ( -6.511 2.770 2.657) 7.558 8.878 ( -5.299 -1.693 0.066) 5.563 8.878 ( -5.299 1.693 0.066) 5.563 9.041 ( 2.439 -1.971 -4.623) 5.586 9.041 ( 2.439 1.971 -4.623) 5.586 9.150 ( -4.902 -2.093 -1.366) 5.503 9.150 ( -4.902 2.093 -1.366) 5.503 9.247 ( 1.875 -1.683 -2.882) 3.828 9.247 ( 1.875 1.683 -2.882) 3.828 9.465 ( 3.986 -1.932 1.109) 4.567 9.465 ( 3.986 1.932 1.109) 4.567 9.624 ( -1.370 -1.851 0.456) 2.348 9.624 ( -1.370 1.851 0.456) 2.348 9.890 ( -0.198 -2.495 2.972) 3.885 9.890 ( -0.198 2.495 2.972) 3.885 10.004 ( 2.297 -3.086 1.103) 4.002 10.004 ( 2.297 3.086 1.103) 4.002 10.198 ( 1.887 -2.161 -0.355) 2.891 10.198 ( 1.887 2.161 -0.355) 2.891 10.357 ( 3.336 -2.886 2.238) 4.947 10.357 ( 3.336 2.886 2.238) 4.947 10.554 ( -2.822 -1.448 -0.897) 3.296 10.554 ( -2.822 1.448 -0.897) 3.296 10.718 ( 7.774 -2.486 -1.639) 8.325 10.718 ( 7.774 2.486 -1.639) 8.325 10.798 ( -0.157 -2.104 1.437) 2.552 10.798 ( -0.157 2.104 1.437) 2.552 10.886 ( 3.323 -2.093 1.437) 4.182 10.886 ( 3.323 2.093 1.437) 4.182 11.069 ( -0.572 -1.107 -0.788) 1.474 11.069 ( -0.572 1.107 -0.788) 1.474 11.096 ( -0.239 -1.597 0.356) 1.654 11.096 ( -0.239 1.597 0.356) 1.654 11.171 ( 0.278 -1.353 3.019) 3.320 11.171 ( 0.278 1.353 3.019) 3.320 11.448 ( 4.711 -0.227 -1.425) 4.927 11.448 ( 4.711 0.227 -1.425) 4.927 11.730 ( 3.275 -0.737 -2.548) 4.215 11.730 ( 3.275 0.737 -2.548) 4.215 11.870 ( 6.703 -1.456 -1.673) 7.061 11.870 ( 6.703 1.456 -1.673) 7.061 11.994 ( -0.347 -1.354 3.310) 3.594 11.994 ( -0.347 1.354 3.310) 3.594 12.118 ( -0.036 -1.765 -2.121) 2.760 12.118 ( -0.036 1.765 -2.121) 2.760 12.149 ( -3.203 -1.175 -1.003) 3.556 12.149 ( -3.203 1.175 -1.003) 3.556 12.248 ( -4.146 -0.704 -0.991) 4.321 12.248 ( -4.146 0.704 -0.991) 4.321 12.359 ( -4.704 -1.263 0.369) 4.885 12.359 ( -4.704 1.263 0.369) 4.885 12.407 ( -3.254 -1.956 -0.943) 3.912 12.407 ( -3.254 1.956 -0.943) 3.912 12.551 ( -1.646 -0.337 2.850) 3.309 12.551 ( -1.646 0.337 2.850) 3.309 12.685 ( 0.370 -1.432 -0.341) 1.517 12.685 ( 0.370 1.432 -0.341) 1.517 12.771 ( 0.634 -1.381 -0.925) 1.779 12.771 ( 0.634 1.381 -0.925) 1.779 12.869 ( -0.915 -3.540 -0.121) 3.659 12.869 ( -0.915 3.540 -0.121) 3.659 12.975 ( 1.562 -3.131 -4.483) 5.687 12.975 ( 1.562 3.131 -4.483) 5.687 13.058 ( 3.229 -0.754 -2.206) 3.983 13.058 ( 3.229 0.754 -2.206) 3.983 13.198 ( 2.106 -2.812 1.479) 3.812 13.198 ( 2.106 2.812 1.479) 3.812 13.360 ( 0.587 -5.225 2.556) 5.846 13.360 ( 0.587 5.225 2.556) 5.846 13.679 ( -5.648 -6.200 1.484) 8.518 13.679 ( -5.648 6.200 1.484) 8.518 13.945 ( -5.242 -0.789 1.649) 5.551 13.945 ( -5.242 0.789 1.649) 5.551 14.016 ( -2.382 -6.115 -4.010) 7.690 14.016 ( -2.382 6.115 -4.010) 7.690 14.172 ( -1.240 -1.965 2.725) 3.581 14.172 ( -1.240 1.965 2.725) 3.581 14.477 ( 0.342 -1.803 0.634) 1.942 14.477 ( 0.342 1.803 0.634) 1.942 14.539 ( 0.085 -2.207 1.401) 2.615 14.539 ( 0.085 2.207 1.401) 2.615 14.775 ( 1.102 -0.508 1.693) 2.082 14.775 ( 1.102 0.508 1.693) 2.082 14.999 ( 3.460 -4.421 -4.267) 7.051 14.999 ( 3.460 4.421 -4.267) 7.051 ======================= Grid point 116 (65/69) ======================= q-point: ( 0.44 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 8.951 -4.662 -1.093) 10.151 2.166 ( 8.951 4.662 -1.093) 10.151 2.426 ( 4.021 -8.974 -1.727) 9.984 2.426 ( 4.021 8.974 -1.727) 9.984 2.593 ( 12.332 -10.418 -5.480) 17.048 2.593 ( 12.332 10.418 -5.480) 17.048 2.715 ( 6.373 -0.842 -3.680) 7.408 2.715 ( 6.373 0.842 -3.680) 7.408 2.805 ( -11.666 -5.444 -0.998) 12.912 2.805 ( -11.666 5.444 -0.998) 12.912 2.973 ( -6.312 -5.607 0.699) 8.472 2.973 ( -6.312 5.607 0.699) 8.472 3.024 ( 7.465 -5.218 4.896) 10.340 3.024 ( 7.465 5.218 4.896) 10.340 3.221 ( 1.275 -1.564 3.652) 4.172 3.221 ( 1.275 1.564 3.652) 4.172 3.253 ( 0.616 -3.460 -0.984) 3.650 3.253 ( 0.616 3.460 -0.984) 3.650 3.367 ( 1.478 -6.325 4.016) 7.637 3.367 ( 1.478 6.325 4.016) 7.637 3.450 ( -2.625 -5.797 -2.762) 6.938 3.450 ( -2.625 5.797 -2.762) 6.938 3.620 ( -1.711 -2.715 -0.022) 3.210 3.620 ( -1.711 2.715 -0.022) 3.210 3.661 ( 0.774 -1.985 -0.421) 2.171 3.661 ( 0.774 1.985 -0.421) 2.171 3.678 ( -0.620 -2.462 -0.065) 2.540 3.678 ( -0.620 2.462 -0.065) 2.540 3.774 ( -4.483 -0.506 3.653) 5.805 3.774 ( -4.483 0.506 3.653) 5.805 3.856 ( -4.855 -4.812 -1.303) 6.959 3.856 ( -4.855 4.812 -1.303) 6.959 3.982 ( 3.564 -0.566 -1.171) 3.794 3.982 ( 3.564 0.566 -1.171) 3.794 4.049 ( 1.805 -2.421 -2.330) 3.814 4.049 ( 1.805 2.421 -2.330) 3.814 4.099 ( 5.921 -3.689 -1.987) 7.253 4.099 ( 5.921 3.689 -1.987) 7.253 4.171 ( 4.491 -0.407 -2.002) 4.934 4.171 ( 4.491 0.407 -2.002) 4.934 4.225 ( -3.943 -3.324 4.230) 6.670 4.225 ( -3.943 3.324 4.230) 6.670 4.313 ( 1.028 -2.147 -2.119) 3.187 4.313 ( 1.028 2.147 -2.119) 3.187 4.406 ( 0.250 -2.958 -1.541) 3.345 4.406 ( 0.250 2.958 -1.541) 3.345 4.492 ( -0.026 -1.160 -1.018) 1.543 4.492 ( -0.026 1.160 -1.018) 1.543 4.565 ( -5.926 -3.611 0.420) 6.952 4.565 ( -5.926 3.611 0.420) 6.952 4.669 ( -2.244 -2.195 -1.136) 3.338 4.669 ( -2.244 2.195 -1.136) 3.338 4.773 ( 2.453 -2.412 5.089) 6.142 4.773 ( 2.453 2.412 5.089) 6.142 4.900 ( -0.139 -2.813 3.569) 4.547 4.900 ( -0.139 2.813 3.569) 4.547 4.990 ( 0.360 -2.797 0.617) 2.887 4.990 ( 0.360 2.797 0.617) 2.887 5.064 ( 0.301 -3.119 1.620) 3.527 5.064 ( 0.301 3.119 1.620) 3.527 5.092 ( -0.164 -1.078 -0.855) 1.385 5.092 ( -0.164 1.078 -0.855) 1.385 5.194 ( -2.367 -3.013 1.107) 3.989 5.194 ( -2.367 3.013 1.107) 3.989 5.264 ( -0.309 -1.391 0.654) 1.568 5.264 ( -0.309 1.391 0.654) 1.568 5.346 ( 0.600 -1.666 -2.444) 3.018 5.346 ( 0.600 1.666 -2.444) 3.018 5.508 ( -0.807 -1.191 -1.312) 1.947 5.508 ( -0.807 1.191 -1.312) 1.947 5.597 ( 0.334 -1.518 -0.687) 1.700 5.597 ( 0.334 1.518 -0.687) 1.700 6.140 ( 2.179 -0.284 -0.029) 2.197 6.140 ( 2.179 0.284 -0.029) 2.197 6.196 ( -0.076 -0.998 -0.714) 1.229 6.196 ( -0.076 0.998 -0.714) 1.229 6.367 ( -1.170 -0.293 4.273) 4.440 6.367 ( -1.170 0.293 4.273) 4.440 6.478 ( -0.720 -2.352 -3.016) 3.892 6.478 ( -0.720 2.352 -3.016) 3.892 6.665 ( -1.492 -1.213 -0.891) 2.120 6.665 ( -1.492 1.213 -0.891) 2.120 7.083 ( 1.616 -1.301 0.876) 2.252 7.083 ( 1.616 1.301 0.876) 2.252 7.311 ( -1.156 -3.098 3.735) 4.988 7.311 ( -1.156 3.098 3.735) 4.988 7.423 ( -0.779 -4.126 -0.970) 4.310 7.423 ( -0.779 4.126 -0.970) 4.310 7.560 ( -1.507 -1.532 0.550) 2.218 7.560 ( -1.507 1.532 0.550) 2.218 7.625 ( -0.299 -1.622 -4.709) 4.990 7.625 ( -0.299 1.622 -4.709) 4.990 7.896 ( 4.947 -2.385 0.278) 5.499 7.896 ( 4.947 2.385 0.278) 5.499 8.078 ( -0.013 -2.014 -1.306) 2.400 8.078 ( -0.013 2.014 -1.306) 2.400 8.162 ( -2.348 -1.711 0.057) 2.906 8.162 ( -2.348 1.711 0.057) 2.906 8.275 ( -3.210 -2.840 -1.200) 4.451 8.275 ( -3.210 2.840 -1.200) 4.451 8.425 ( 0.502 -3.538 2.674) 4.463 8.425 ( 0.502 3.538 2.674) 4.463 8.513 ( -1.971 -4.561 0.039) 4.968 8.513 ( -1.971 4.561 0.039) 4.968 8.665 ( -0.208 -1.646 1.859) 2.492 8.665 ( -0.208 1.646 1.859) 2.492 8.762 ( -0.419 -2.801 0.527) 2.881 8.762 ( -0.419 2.801 0.527) 2.881 8.819 ( -1.160 -1.390 4.955) 5.276 8.819 ( -1.160 1.390 4.955) 5.276 9.001 ( -2.198 -2.036 -4.569) 5.463 9.001 ( -2.198 2.036 -4.569) 5.463 9.124 ( 2.205 -0.388 -0.778) 2.370 9.124 ( 2.205 0.388 -0.778) 2.370 9.207 ( -1.785 -1.186 -4.320) 4.822 9.207 ( -1.785 1.186 -4.320) 4.822 9.522 ( 1.810 -1.298 0.041) 2.227 9.522 ( 1.810 1.298 0.041) 2.227 9.625 ( 0.616 -1.185 0.212) 1.353 9.625 ( 0.616 1.185 0.212) 1.353 9.893 ( -1.456 -3.509 1.509) 4.087 9.893 ( -1.456 3.509 1.509) 4.087 10.051 ( 0.874 -1.372 2.735) 3.182 10.051 ( 0.874 1.372 2.735) 3.182 10.231 ( 2.094 -1.525 -0.918) 2.748 10.231 ( 2.094 1.525 -0.918) 2.748 10.417 ( 0.490 -0.610 2.136) 2.274 10.417 ( 0.490 0.610 2.136) 2.274 10.538 ( 0.480 -0.607 3.982) 4.057 10.538 ( 0.480 0.607 3.982) 4.057 10.720 ( -2.556 -1.062 -1.428) 3.114 10.720 ( -2.556 1.062 -1.428) 3.114 10.820 ( 0.334 -1.470 -0.984) 1.800 10.820 ( 0.334 1.470 -0.984) 1.800 10.965 ( 3.480 -2.811 1.351) 4.673 10.965 ( 3.480 2.811 1.351) 4.673 11.059 ( -1.629 -1.458 -0.252) 2.201 11.059 ( -1.629 1.458 -0.252) 2.201 11.091 ( 2.934 -1.783 -2.479) 4.235 11.091 ( 2.934 1.783 -2.479) 4.235 11.219 ( 1.333 -0.447 2.749) 3.087 11.219 ( 1.333 0.447 2.749) 3.087 11.492 ( 1.568 -0.345 -2.547) 3.011 11.492 ( 1.568 0.345 -2.547) 3.011 11.786 ( 5.026 -0.952 -0.514) 5.141 11.786 ( 5.026 0.952 -0.514) 5.141 11.941 ( -1.482 -0.938 -0.993) 2.015 11.941 ( -1.482 0.938 -0.993) 2.015 11.993 ( -1.681 -1.034 0.477) 2.031 11.993 ( -1.681 1.034 0.477) 2.031 12.052 ( -1.932 -0.462 0.439) 2.034 12.052 ( -1.932 0.462 0.439) 2.034 12.123 ( -0.780 -2.429 0.536) 2.607 12.123 ( -0.780 2.429 0.536) 2.607 12.166 ( -2.093 -2.135 -0.899) 3.122 12.166 ( -2.093 2.135 -0.899) 3.122 12.312 ( -2.887 -1.246 2.371) 3.939 12.312 ( -2.887 1.246 2.371) 3.939 12.379 ( 2.484 -1.278 -4.497) 5.294 12.379 ( 2.484 1.278 -4.497) 5.294 12.556 ( -0.235 -3.527 2.603) 4.390 12.556 ( -0.235 3.527 2.603) 4.390 12.689 ( -0.449 -0.397 1.221) 1.360 12.689 ( -0.449 0.397 1.221) 1.360 12.768 ( -0.090 -1.370 -1.824) 2.283 12.768 ( -0.090 1.370 -1.824) 2.283 12.835 ( -0.985 -1.766 -1.817) 2.718 12.835 ( -0.985 1.766 -1.817) 2.718 12.963 ( 1.677 -1.500 -4.548) 5.074 12.963 ( 1.677 1.500 -4.548) 5.074 13.105 ( 2.480 -0.824 -0.723) 2.711 13.105 ( 2.480 0.824 -0.723) 2.711 13.265 ( 3.591 -1.604 3.188) 5.063 13.265 ( 3.591 1.604 3.188) 5.063 13.411 ( 1.586 -3.733 3.351) 5.261 13.411 ( 1.586 3.733 3.351) 5.261 13.581 ( -4.847 -5.294 -0.456) 7.192 13.581 ( -4.847 5.294 -0.456) 7.192 13.855 ( -6.513 -1.636 1.833) 6.961 13.855 ( -6.513 1.636 1.833) 6.961 13.955 ( 1.060 -6.015 -6.412) 8.856 13.955 ( 1.060 6.015 -6.412) 8.856 14.184 ( -0.989 -1.919 3.737) 4.316 14.184 ( -0.989 1.919 3.737) 4.316 14.473 ( -0.936 -3.198 0.574) 3.381 14.473 ( -0.936 3.198 0.574) 3.381 14.582 ( 1.881 -2.515 2.190) 3.828 14.582 ( 1.881 2.515 2.190) 3.828 14.798 ( -0.142 -1.828 1.799) 2.569 14.798 ( -0.142 1.828 1.799) 2.569 15.004 ( 1.605 -4.019 -4.501) 6.244 15.004 ( 1.605 4.019 -4.501) 6.244 ======================= Grid point 118 (66/69) ======================= q-point: (-0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -9.698 -10.002 -0.619) 13.945 2.165 ( -9.698 10.002 -0.619) 13.945 2.423 ( -9.168 -2.778 -2.443) 9.886 2.423 ( -9.168 2.778 -2.443) 9.886 2.505 ( -9.159 -10.329 2.503) 14.030 2.505 ( -9.159 10.329 2.503) 14.030 2.665 ( -4.336 -3.297 1.316) 5.604 2.665 ( -4.336 3.297 1.316) 5.604 2.852 ( 11.506 -8.639 -4.993) 15.230 2.852 ( 11.506 8.639 -4.993) 15.230 2.980 ( 8.824 -4.762 -0.346) 10.033 2.980 ( 8.824 4.762 -0.346) 10.033 3.107 ( -3.436 -3.310 -2.597) 5.432 3.107 ( -3.436 3.310 -2.597) 5.432 3.210 ( -2.407 -3.424 2.523) 4.887 3.210 ( -2.407 3.424 2.523) 4.887 3.286 ( -0.296 -2.838 -0.891) 2.990 3.286 ( -0.296 2.838 -0.891) 2.990 3.388 ( 1.686 -2.456 0.064) 2.980 3.388 ( 1.686 2.456 0.064) 2.980 3.446 ( 0.152 -3.003 -1.267) 3.262 3.446 ( 0.152 3.003 -1.267) 3.262 3.573 ( -1.282 -0.578 4.110) 4.344 3.573 ( -1.282 0.578 4.110) 4.344 3.649 ( -3.319 -0.772 1.690) 3.804 3.649 ( -3.319 0.772 1.690) 3.804 3.675 ( -2.056 -2.083 -0.468) 2.964 3.675 ( -2.056 2.083 -0.468) 2.964 3.777 ( 1.217 -6.098 4.089) 7.442 3.777 ( 1.217 6.098 4.089) 7.442 3.802 ( -0.907 -1.916 1.955) 2.884 3.802 ( -0.907 1.916 1.955) 2.884 3.973 ( -5.044 -1.678 -0.670) 5.358 3.973 ( -5.044 1.678 -0.670) 5.358 4.018 ( -2.012 -1.878 1.661) 3.215 4.018 ( -2.012 1.878 1.661) 3.215 4.112 ( -4.455 -2.179 -0.654) 5.002 4.112 ( -4.455 2.179 -0.654) 5.002 4.143 ( -2.501 -1.731 -1.882) 3.576 4.143 ( -2.501 1.731 -1.882) 3.576 4.261 ( 3.203 -1.091 0.823) 3.482 4.261 ( 3.203 1.091 0.823) 3.482 4.313 ( 4.767 -2.067 -1.077) 5.306 4.313 ( 4.767 2.067 -1.077) 5.306 4.427 ( 0.533 -2.013 -4.101) 4.599 4.427 ( 0.533 2.013 -4.101) 4.599 4.485 ( 1.886 -0.990 -0.658) 2.229 4.485 ( 1.886 0.990 -0.658) 2.229 4.591 ( 7.002 -0.702 -2.153) 7.359 4.591 ( 7.002 0.702 -2.153) 7.359 4.649 ( 3.543 -3.621 -0.475) 5.088 4.649 ( 3.543 3.621 -0.475) 5.088 4.831 ( -0.309 -1.194 1.247) 1.754 4.831 ( -0.309 1.194 1.247) 1.754 4.927 ( -1.197 -1.460 2.407) 3.059 4.927 ( -1.197 1.460 2.407) 3.059 4.987 ( -0.807 -0.426 -0.212) 0.937 4.987 ( -0.807 0.426 -0.212) 0.937 5.051 ( -1.679 -1.000 1.746) 2.620 5.051 ( -1.679 1.000 1.746) 2.620 5.107 ( -0.306 -2.947 -1.345) 3.254 5.107 ( -0.306 2.947 -1.345) 3.254 5.173 ( 0.258 -0.391 3.039) 3.075 5.173 ( 0.258 0.391 3.039) 3.075 5.264 ( -0.015 -1.137 0.243) 1.163 5.264 ( -0.015 1.137 0.243) 1.163 5.351 ( 2.072 -2.886 -2.616) 4.412 5.351 ( 2.072 2.886 -2.616) 4.412 5.491 ( -0.532 -0.385 0.208) 0.689 5.491 ( -0.532 0.385 0.208) 0.689 5.589 ( -0.479 -0.851 -0.102) 0.982 5.589 ( -0.479 0.851 -0.102) 0.982 6.139 ( -2.908 -0.257 0.041) 2.919 6.139 ( -2.908 0.257 0.041) 2.919 6.183 ( -0.101 -0.898 0.501) 1.034 6.183 ( -0.101 0.898 0.501) 1.034 6.412 ( 1.572 -1.100 3.456) 3.953 6.412 ( 1.572 1.100 3.456) 3.953 6.453 ( 1.637 -1.027 -4.022) 4.462 6.453 ( 1.637 1.027 -4.022) 4.462 6.657 ( 1.032 -1.640 -0.144) 1.943 6.657 ( 1.032 1.640 -0.144) 1.943 7.102 ( 0.210 -1.464 -0.807) 1.685 7.102 ( 0.210 1.464 -0.807) 1.685 7.331 ( 0.292 -0.701 2.691) 2.796 7.331 ( 0.292 0.701 2.691) 2.796 7.417 ( 0.248 -0.265 -0.704) 0.792 7.417 ( 0.248 0.265 -0.704) 0.792 7.538 ( -0.545 -1.677 1.685) 2.438 7.538 ( -0.545 1.677 1.685) 2.438 7.606 ( 1.540 -1.346 -2.770) 3.443 7.606 ( 1.540 1.346 -2.770) 3.443 7.929 ( -2.651 -0.769 -2.511) 3.731 7.929 ( -2.651 0.769 -2.511) 3.731 8.053 ( 0.635 -1.178 0.417) 1.402 8.053 ( 0.635 1.178 0.417) 1.402 8.163 ( 1.433 -1.038 0.575) 1.860 8.163 ( 1.433 1.038 0.575) 1.860 8.250 ( 0.620 -0.819 1.310) 1.665 8.250 ( 0.620 0.819 1.310) 1.665 8.440 ( -1.003 -4.137 1.524) 4.521 8.440 ( -1.003 4.137 1.524) 4.521 8.508 ( 1.462 -2.524 0.063) 2.917 8.508 ( 1.462 2.524 0.063) 2.917 8.683 ( 0.177 -1.919 0.053) 1.928 8.683 ( 0.177 1.919 0.053) 1.928 8.754 ( 1.202 -2.445 1.213) 2.982 8.754 ( 1.202 2.445 1.213) 2.982 8.891 ( 1.732 -3.235 3.916) 5.367 8.891 ( 1.732 3.235 3.916) 5.367 8.940 ( 0.822 -0.408 -4.281) 4.378 8.940 ( 0.822 0.408 -4.281) 4.378 9.101 ( -4.128 -0.421 0.672) 4.204 9.101 ( -4.128 0.421 0.672) 4.204 9.199 ( 4.238 -2.143 -2.899) 5.564 9.199 ( 4.238 2.143 -2.899) 5.564 9.538 ( 0.260 -0.213 -1.255) 1.299 9.538 ( 0.260 0.213 -1.255) 1.299 9.636 ( 1.653 -1.087 -1.278) 2.355 9.636 ( 1.653 1.087 -1.278) 2.355 9.881 ( -1.776 -0.625 2.519) 3.145 9.881 ( -1.776 0.625 2.519) 3.145 10.071 ( -1.107 -1.807 1.614) 2.664 10.071 ( -1.107 1.807 1.614) 2.664 10.226 ( -1.672 -2.492 -1.054) 3.180 10.226 ( -1.672 2.492 -1.054) 3.180 10.433 ( 0.759 -2.070 0.165) 2.211 10.433 ( 0.759 2.070 0.165) 2.211 10.605 ( 0.823 -1.006 3.211) 3.464 10.605 ( 0.823 1.006 3.211) 3.464 10.664 ( -0.769 -0.749 -1.504) 1.848 10.664 ( -0.769 0.749 -1.504) 1.848 10.788 ( -4.085 -0.061 2.223) 4.652 10.788 ( -4.085 0.061 2.223) 4.652 10.988 ( -3.888 -1.886 1.176) 4.478 10.988 ( -3.888 1.886 1.176) 4.478 11.029 ( 1.038 -2.108 -1.502) 2.789 11.029 ( 1.038 2.108 -1.502) 2.789 11.141 ( 4.796 -1.252 -3.820) 6.258 11.141 ( 4.796 1.252 -3.820) 6.258 11.250 ( 0.980 -1.016 -0.315) 1.447 11.250 ( 0.980 1.016 -0.315) 1.447 11.459 ( -3.433 -0.875 0.134) 3.545 11.459 ( -3.433 0.875 0.134) 3.545 11.783 ( -7.464 -0.484 -0.445) 7.493 11.783 ( -7.464 0.484 -0.445) 7.493 11.902 ( -0.723 -1.471 2.808) 3.251 11.902 ( -0.723 1.471 2.808) 3.251 11.972 ( 0.990 -0.473 0.872) 1.401 11.972 ( 0.990 0.473 0.872) 1.401 12.063 ( 0.886 -0.574 1.453) 1.796 12.063 ( 0.886 0.574 1.453) 1.796 12.134 ( -0.521 -0.985 -1.897) 2.200 12.134 ( -0.521 0.985 -1.897) 2.200 12.158 ( 2.950 -2.031 0.463) 3.611 12.158 ( 2.950 2.031 0.463) 3.611 12.307 ( 0.337 -1.986 2.133) 2.934 12.307 ( 0.337 1.986 2.133) 2.934 12.393 ( 3.635 -0.330 -5.209) 6.361 12.393 ( 3.635 0.330 -5.209) 6.361 12.580 ( 0.480 -2.430 1.155) 2.733 12.580 ( 0.480 2.430 1.155) 2.733 12.686 ( -1.104 -0.667 1.077) 1.680 12.686 ( -1.104 0.667 1.077) 1.680 12.747 ( -0.719 -0.826 0.930) 1.436 12.747 ( -0.719 0.826 0.930) 1.436 12.832 ( 2.676 -1.161 -2.450) 3.810 12.832 ( 2.676 1.161 -2.450) 3.810 12.942 ( -0.270 -1.799 -3.046) 3.548 12.942 ( -0.270 1.799 -3.046) 3.548 13.125 ( 1.066 -1.085 -2.157) 2.639 13.125 ( 1.066 1.085 -2.157) 2.639 13.315 ( -1.756 -2.094 -0.423) 2.765 13.315 ( -1.756 2.094 -0.423) 2.765 13.437 ( 0.547 -1.379 0.055) 1.485 13.437 ( 0.547 1.379 0.055) 1.485 13.577 ( 4.601 -1.849 0.679) 5.005 13.577 ( 4.601 1.849 0.679) 5.005 13.794 ( -2.608 -3.148 5.036) 6.487 13.794 ( -2.608 3.148 5.036) 6.487 13.940 ( 2.321 -4.079 -3.682) 5.965 13.940 ( 2.321 4.079 -3.682) 5.965 14.196 ( -1.123 -0.435 3.075) 3.302 14.196 ( -1.123 0.435 3.075) 3.302 14.458 ( -1.957 -3.241 1.751) 4.171 14.458 ( -1.957 3.241 1.751) 4.171 14.616 ( 1.294 -1.708 -1.370) 2.543 14.616 ( 1.294 1.708 -1.370) 2.543 14.807 ( -0.871 -1.344 2.331) 2.828 14.807 ( -0.871 1.344 2.331) 2.828 14.981 ( -0.109 -2.318 -3.362) 4.085 14.981 ( -0.109 2.318 -3.362) 4.085 ======================= Grid point 120 (67/69) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -18.669 -10.464 0.255) 21.403 1.892 ( -18.669 10.464 0.255) 21.403 2.111 ( -22.155 -9.496 6.405) 24.941 2.111 ( -22.155 9.496 6.405) 24.941 2.457 ( -3.758 -9.032 -0.627) 9.803 2.457 ( -3.758 9.032 -0.627) 9.803 2.608 ( -3.783 -1.491 2.987) 5.046 2.608 ( -3.783 1.491 2.987) 5.046 2.923 ( -4.887 -8.010 -11.322) 14.705 2.923 ( -4.887 8.010 -11.322) 14.705 2.977 ( 0.939 -5.256 -2.375) 5.844 2.977 ( 0.939 5.256 -2.375) 5.844 3.119 ( -0.952 -2.710 -0.224) 2.881 3.119 ( -0.952 2.710 -0.224) 2.881 3.166 ( -6.183 -6.221 2.386) 9.090 3.166 ( -6.183 6.221 2.386) 9.090 3.219 ( -0.902 -7.368 -0.140) 7.425 3.219 ( -0.902 7.368 -0.140) 7.425 3.380 ( -1.059 -2.049 -1.700) 2.865 3.380 ( -1.059 2.049 -1.700) 2.865 3.459 ( 1.856 -5.273 3.007) 6.347 3.459 ( 1.856 5.273 3.007) 6.347 3.538 ( -10.184 -7.162 5.461) 13.595 3.538 ( -10.184 7.162 5.461) 13.595 3.593 ( -2.075 -2.751 2.458) 4.232 3.593 ( -2.075 2.751 2.458) 4.232 3.677 ( 1.421 -0.391 2.934) 3.284 3.677 ( 1.421 0.391 2.934) 3.284 3.801 ( 0.215 -3.172 1.296) 3.433 3.801 ( 0.215 3.172 1.296) 3.433 3.869 ( 2.757 -3.494 3.974) 5.967 3.869 ( 2.757 3.494 3.974) 5.967 3.924 ( -0.674 -2.133 -0.546) 2.303 3.924 ( -0.674 2.133 -0.546) 2.303 4.015 ( -1.303 -0.962 0.240) 1.638 4.015 ( -1.303 0.962 0.240) 1.638 4.051 ( 3.990 -2.186 2.169) 5.040 4.051 ( 3.990 2.186 2.169) 5.040 4.129 ( 2.369 -1.277 -4.791) 5.495 4.129 ( 2.369 1.277 -4.791) 5.495 4.285 ( -0.057 -1.266 -1.960) 2.334 4.285 ( -0.057 1.266 -1.960) 2.334 4.372 ( 3.878 -0.530 -2.906) 4.875 4.372 ( 3.878 0.530 -2.906) 4.875 4.455 ( 4.216 -1.936 -3.303) 5.695 4.455 ( 4.216 1.936 -3.303) 5.695 4.521 ( 4.060 -1.085 1.295) 4.397 4.521 ( 4.060 1.085 1.295) 4.397 4.674 ( 2.737 -0.380 0.115) 2.766 4.674 ( 2.737 0.380 0.115) 2.766 4.722 ( 2.742 -3.752 -2.393) 5.227 4.722 ( 2.742 3.752 -2.393) 5.227 4.799 ( -1.063 -0.508 -3.592) 3.781 4.799 ( -1.063 0.508 -3.592) 3.781 4.890 ( -2.565 -2.308 1.595) 3.801 4.890 ( -2.565 2.308 1.595) 3.801 4.973 ( -0.464 -2.181 -0.621) 2.315 4.973 ( -0.464 2.181 -0.621) 2.315 5.060 ( 0.570 -5.182 -0.162) 5.216 5.060 ( 0.570 5.182 -0.162) 5.216 5.077 ( -1.432 -0.958 2.756) 3.250 5.077 ( -1.432 0.958 2.756) 3.250 5.216 ( 0.367 -0.496 1.691) 1.800 5.216 ( 0.367 0.496 1.691) 1.800 5.273 ( 1.066 -2.469 -0.196) 2.697 5.273 ( 1.066 2.469 -0.196) 2.697 5.368 ( 2.314 -3.124 -1.770) 4.272 5.368 ( 2.314 3.124 -1.770) 4.272 5.491 ( -0.809 -1.290 2.001) 2.515 5.491 ( -0.809 1.290 2.001) 2.515 5.583 ( -0.139 -0.964 0.153) 0.986 5.583 ( -0.139 0.964 0.153) 0.986 6.080 ( -3.866 -1.007 0.784) 4.071 6.080 ( -3.866 1.007 0.784) 4.071 6.171 ( -1.930 -0.842 0.034) 2.106 6.171 ( -1.930 0.842 0.034) 2.106 6.445 ( 2.282 -0.894 -1.396) 2.821 6.445 ( 2.282 0.894 -1.396) 2.821 6.496 ( 4.397 -1.390 0.089) 4.612 6.496 ( 4.397 1.390 0.089) 4.612 6.697 ( 3.105 -1.941 0.946) 3.782 6.697 ( 3.105 1.941 0.946) 3.782 7.079 ( -0.792 -1.356 -2.546) 2.992 7.079 ( -0.792 1.356 -2.546) 2.992 7.353 ( 0.199 -4.875 -0.238) 4.885 7.353 ( 0.199 4.875 -0.238) 4.885 7.417 ( 0.400 -4.357 0.955) 4.478 7.417 ( 0.400 4.357 0.955) 4.478 7.579 ( 1.131 -0.955 3.186) 3.513 7.579 ( 1.131 0.955 3.186) 3.513 7.622 ( 2.589 -0.805 -0.856) 2.843 7.622 ( 2.589 0.805 -0.856) 2.843 7.831 ( -3.871 -1.068 -2.547) 4.755 7.831 ( -3.871 1.068 -2.547) 4.755 8.085 ( 1.986 -2.117 0.259) 2.914 8.085 ( 1.986 2.117 0.259) 2.914 8.188 ( 0.913 -1.228 0.842) 1.746 8.188 ( 0.913 1.228 0.842) 1.746 8.308 ( 2.218 -3.148 2.269) 4.470 8.308 ( 2.218 3.148 2.269) 4.470 8.428 ( -0.225 -4.598 -0.756) 4.665 8.428 ( -0.225 4.598 -0.756) 4.665 8.544 ( 2.012 -4.331 0.822) 4.846 8.544 ( 2.012 4.331 0.822) 4.846 8.692 ( 1.851 -2.299 -0.547) 3.002 8.692 ( 1.851 2.299 -0.547) 3.002 8.820 ( 4.916 -2.217 -0.848) 5.459 8.820 ( 4.916 2.217 -0.848) 5.459 8.898 ( 1.013 -1.275 -1.923) 2.520 8.898 ( 1.013 1.275 -1.923) 2.520 8.955 ( -0.885 -1.380 2.395) 2.902 8.955 ( -0.885 1.380 2.395) 2.902 9.098 ( 3.138 -2.566 2.979) 5.030 9.098 ( 3.138 2.566 2.979) 5.030 9.239 ( 2.061 -3.352 -1.549) 4.229 9.239 ( 2.061 3.352 -1.549) 4.229 9.506 ( -2.143 -1.796 -2.947) 4.063 9.506 ( -2.143 1.796 -2.947) 4.063 9.646 ( 0.584 -0.050 -2.036) 2.119 9.646 ( 0.584 0.050 -2.036) 2.119 9.882 ( -0.874 -4.270 3.608) 5.658 9.882 ( -0.874 4.270 3.608) 5.658 10.038 ( -2.886 -1.667 -0.798) 3.427 10.038 ( -2.886 1.667 -0.798) 3.427 10.190 ( -1.022 -2.053 -0.445) 2.336 10.190 ( -1.022 2.053 -0.445) 2.336 10.418 ( -3.556 -0.526 -2.522) 4.391 10.418 ( -3.556 0.526 -2.522) 4.391 10.552 ( -2.363 -1.285 -1.083) 2.900 10.552 ( -2.363 1.285 -1.083) 2.900 10.675 ( -5.570 -1.362 2.191) 6.138 10.675 ( -5.570 1.362 2.191) 6.138 10.768 ( 1.635 -1.380 4.124) 4.646 10.768 ( 1.635 1.380 4.124) 4.646 10.913 ( -3.991 -1.193 -0.450) 4.190 10.913 ( -3.991 1.193 -0.450) 4.190 11.028 ( -0.561 -3.683 0.342) 3.742 11.028 ( -0.561 3.683 0.342) 3.742 11.157 ( -0.264 -1.967 -3.150) 3.723 11.157 ( -0.264 1.967 -3.150) 3.723 11.262 ( 3.611 -0.519 -4.840) 6.061 11.262 ( 3.611 0.519 -4.840) 6.061 11.404 ( -3.618 -1.007 2.154) 4.330 11.404 ( -3.618 1.007 2.154) 4.330 11.670 ( -6.224 -0.385 3.328) 7.068 11.670 ( -6.224 0.385 3.328) 7.068 11.833 ( -5.656 -2.010 0.786) 6.054 11.833 ( -5.656 2.010 0.786) 6.054 12.029 ( -1.168 -1.321 1.740) 2.477 12.029 ( -1.168 1.321 1.740) 2.477 12.082 ( 0.360 -0.238 0.056) 0.436 12.082 ( 0.360 0.238 0.056) 0.436 12.142 ( 3.748 -1.069 -0.460) 3.925 12.142 ( 3.748 1.069 -0.460) 3.925 12.221 ( 3.196 -3.057 1.233) 4.591 12.221 ( 3.196 3.057 1.233) 4.591 12.358 ( 3.875 -0.949 0.838) 4.076 12.358 ( 3.875 0.949 0.838) 4.076 12.421 ( 4.476 -1.575 -2.944) 5.584 12.421 ( 4.476 1.575 -2.944) 5.584 12.583 ( -1.126 -1.745 0.585) 2.157 12.583 ( -1.126 1.745 0.585) 2.157 12.680 ( 0.506 -1.143 -0.216) 1.268 12.680 ( 0.506 1.143 -0.216) 1.268 12.766 ( 0.908 -0.290 1.902) 2.127 12.766 ( 0.908 0.290 1.902) 2.127 12.865 ( 2.204 -1.369 -1.919) 3.227 12.865 ( 2.204 1.369 -1.919) 3.227 12.923 ( 1.133 -2.603 -1.179) 3.074 12.923 ( 1.133 2.603 -1.179) 3.074 13.080 ( -3.500 -1.973 -2.904) 4.957 13.080 ( -3.500 1.973 -2.904) 4.957 13.253 ( -1.707 -1.479 -3.580) 4.233 13.253 ( -1.707 1.479 -3.580) 4.233 13.427 ( 0.020 -4.619 -3.300) 5.676 13.427 ( 0.020 4.619 -3.300) 5.676 13.690 ( 6.288 -5.002 0.272) 8.040 13.690 ( 6.288 5.002 0.272) 8.040 13.855 ( 1.770 -4.107 8.181) 9.324 13.855 ( 1.770 4.107 8.181) 9.324 13.978 ( 4.084 -2.638 0.143) 4.864 13.978 ( 4.084 2.638 0.143) 4.864 14.197 ( -1.194 -1.951 1.932) 2.995 14.197 ( -1.194 1.951 1.932) 2.995 14.440 ( -1.656 -3.106 1.856) 3.979 14.440 ( -1.656 3.106 1.856) 3.979 14.606 ( 0.097 -0.741 -3.075) 3.165 14.606 ( 0.097 0.741 -3.075) 3.165 14.804 ( -0.914 -1.563 0.326) 1.840 14.804 ( -0.914 1.563 0.326) 1.840 14.945 ( -2.068 -0.807 -0.603) 2.300 14.945 ( -2.068 0.807 -0.603) 2.300 ======================= Grid point 122 (68/69) ======================= q-point: (-0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -17.506 -11.466 9.028) 22.791 1.604 ( -17.506 11.466 9.028) 22.791 1.808 ( -21.076 -10.532 11.633) 26.276 1.808 ( -21.076 10.532 11.633) 26.276 2.348 ( -6.605 -7.627 -4.480) 11.040 2.348 ( -6.605 7.627 -4.480) 11.040 2.557 ( -4.402 -3.160 0.886) 5.491 2.557 ( -4.402 3.160 0.886) 5.491 2.739 ( -3.298 -10.417 -13.860) 17.649 2.739 ( -3.298 10.417 -13.860) 17.649 2.824 ( -8.534 -7.846 -7.165) 13.628 2.824 ( -8.534 7.846 -7.165) 13.628 2.934 ( -20.286 -21.127 15.053) 32.931 2.934 ( -20.286 21.127 15.053) 32.931 3.141 ( -1.417 -8.685 -0.136) 8.801 3.141 ( -1.417 8.685 -0.136) 8.801 3.231 ( -0.976 -6.611 2.746) 7.225 3.231 ( -0.976 6.611 2.746) 7.225 3.342 ( -3.809 -6.583 1.111) 7.686 3.342 ( -3.809 6.583 1.111) 7.686 3.477 ( 0.406 -3.416 0.046) 3.441 3.477 ( 0.406 3.416 0.046) 3.441 3.564 ( 4.246 -4.019 3.408) 6.767 3.564 ( 4.246 4.019 3.408) 6.767 3.611 ( 1.124 -2.617 3.045) 4.170 3.611 ( 1.124 2.617 3.045) 4.170 3.702 ( 1.379 -4.088 -0.400) 4.333 3.702 ( 1.379 4.088 -0.400) 4.333 3.793 ( -1.455 -5.390 0.409) 5.598 3.793 ( -1.455 5.390 0.409) 5.598 3.896 ( -0.535 -1.478 1.121) 1.930 3.896 ( -0.535 1.478 1.121) 1.930 3.967 ( 3.695 -1.547 2.997) 5.002 3.967 ( 3.695 1.547 2.997) 5.002 4.081 ( 4.235 -0.370 -2.452) 4.907 4.081 ( 4.235 0.370 -2.452) 4.907 4.105 ( 1.539 -3.296 -5.749) 6.803 4.105 ( 1.539 3.296 -5.749) 6.803 4.144 ( 3.238 -2.374 -0.514) 4.048 4.144 ( 3.238 2.374 -0.514) 4.048 4.263 ( 1.238 -5.268 -0.854) 5.478 4.263 ( 1.238 5.268 -0.854) 5.478 4.412 ( 3.822 -1.739 -3.657) 5.568 4.412 ( 3.822 1.739 -3.657) 5.568 4.506 ( 3.138 -1.962 -2.901) 4.702 4.506 ( 3.138 1.962 -2.901) 4.702 4.566 ( 1.788 -2.408 -2.376) 3.826 4.566 ( 1.788 2.408 -2.376) 3.826 4.669 ( 2.296 -1.426 -3.012) 4.047 4.669 ( 2.296 1.426 -3.012) 4.047 4.733 ( 1.287 -1.436 -0.211) 1.940 4.733 ( 1.287 1.436 -0.211) 1.940 4.820 ( 1.646 -3.775 3.300) 5.277 4.820 ( 1.646 3.775 3.300) 5.277 4.851 ( -3.650 -3.636 0.245) 5.158 4.851 ( -3.650 3.636 0.245) 5.158 4.958 ( 0.177 -1.757 -0.618) 1.871 4.958 ( 0.177 1.757 -0.618) 1.871 5.071 ( 0.006 -4.495 0.819) 4.569 5.071 ( 0.006 4.495 0.819) 4.569 5.107 ( 1.987 -1.986 1.292) 3.092 5.107 ( 1.987 1.986 1.292) 3.092 5.210 ( -1.888 -0.853 1.402) 2.501 5.210 ( -1.888 0.853 1.402) 2.501 5.285 ( 0.638 -2.574 -0.571) 2.713 5.285 ( 0.638 2.574 -0.571) 2.713 5.401 ( 0.837 -3.666 1.261) 3.966 5.401 ( 0.837 3.666 1.261) 3.966 5.487 ( -0.998 -0.436 1.489) 1.844 5.487 ( -0.998 0.436 1.489) 1.844 5.591 ( 1.185 -0.986 -0.729) 1.705 5.591 ( 1.185 0.986 -0.729) 1.705 6.025 ( -3.409 -2.004 1.221) 4.139 6.025 ( -3.409 2.004 1.221) 4.139 6.123 ( -2.484 -1.173 -1.491) 3.126 6.123 ( -2.484 1.173 -1.491) 3.126 6.483 ( 2.385 -1.896 -0.590) 3.104 6.483 ( 2.385 1.896 -0.590) 3.104 6.581 ( 5.847 -2.496 -0.724) 6.398 6.581 ( 5.847 2.496 -0.724) 6.398 6.780 ( 4.461 -1.686 2.755) 5.507 6.780 ( 4.461 1.686 2.755) 5.507 7.042 ( -0.598 -1.644 -2.890) 3.378 7.042 ( -0.598 1.644 -2.890) 3.378 7.340 ( -1.115 -4.409 -0.214) 4.553 7.340 ( -1.115 4.409 -0.214) 4.553 7.428 ( -0.515 -4.190 0.008) 4.222 7.428 ( -0.515 4.190 0.008) 4.222 7.594 ( -0.005 -0.813 -0.835) 1.166 7.594 ( -0.005 0.813 -0.835) 1.166 7.682 ( 1.674 -1.859 3.335) 4.169 7.682 ( 1.674 1.859 3.335) 4.169 7.783 ( 0.832 -1.230 -1.731) 2.281 7.783 ( 0.832 1.230 -1.731) 2.281 8.130 ( 2.685 -2.858 -0.267) 3.931 8.130 ( 2.685 2.858 -0.267) 3.931 8.225 ( 2.919 -1.643 1.706) 3.759 8.225 ( 2.919 1.643 1.706) 3.759 8.304 ( -1.529 -1.325 -2.562) 3.265 8.304 ( -1.529 1.325 -2.562) 3.265 8.439 ( 1.143 -4.229 0.065) 4.381 8.439 ( 1.143 4.229 0.065) 4.381 8.593 ( 2.330 -4.323 1.462) 5.124 8.593 ( 2.330 4.323 1.462) 5.124 8.703 ( 1.260 -0.610 -4.797) 4.997 8.703 ( 1.260 0.610 -4.797) 4.997 8.872 ( -3.711 -0.535 1.977) 4.238 8.872 ( -3.711 0.535 1.977) 4.238 8.923 ( 7.170 -3.760 1.845) 8.304 8.923 ( 7.170 3.760 1.845) 8.304 9.024 ( 5.824 -2.012 1.994) 6.477 9.024 ( 5.824 2.012 1.994) 6.477 9.212 ( 3.044 -0.931 3.069) 4.422 9.212 ( 3.044 0.931 3.069) 4.422 9.239 ( 2.353 -1.077 -2.930) 3.909 9.239 ( 2.353 1.077 -2.930) 3.909 9.406 ( -5.134 -2.264 -1.687) 5.860 9.406 ( -5.134 2.264 -1.687) 5.860 9.641 ( 0.112 -2.380 0.399) 2.415 9.641 ( 0.112 2.380 0.399) 2.415 9.897 ( -1.672 -4.056 1.709) 4.708 9.897 ( -1.672 4.056 1.709) 4.708 9.969 ( -2.240 -1.610 -2.431) 3.677 9.969 ( -2.240 1.610 -2.431) 3.677 10.174 ( -2.001 -1.390 -0.800) 2.564 10.174 ( -2.001 1.390 -0.800) 2.564 10.266 ( -8.916 -2.975 -0.540) 9.414 10.266 ( -8.916 2.975 -0.540) 9.414 10.534 ( -8.315 -2.114 -1.273) 8.674 10.534 ( -8.315 2.114 -1.273) 8.674 10.568 ( 0.220 -1.320 2.025) 2.427 10.568 ( 0.220 1.320 2.025) 2.427 10.818 ( 0.310 -1.073 -0.797) 1.372 10.818 ( 0.310 1.073 -0.797) 1.372 10.868 ( -0.219 -2.355 0.606) 2.442 10.868 ( -0.219 2.355 0.606) 2.442 11.037 ( -0.305 -4.123 3.404) 5.355 11.037 ( -0.305 4.123 3.404) 5.355 11.087 ( -3.006 -3.091 -3.995) 5.878 11.087 ( -3.006 3.091 -3.995) 5.878 11.286 ( 3.178 -0.694 -4.063) 5.205 11.286 ( 3.178 0.694 -4.063) 5.205 11.370 ( -3.121 -0.633 3.403) 4.661 11.370 ( -3.121 0.633 3.403) 4.661 11.630 ( -1.688 -0.613 2.325) 2.938 11.630 ( -1.688 0.613 2.325) 2.938 11.747 ( -4.555 -2.471 -0.131) 5.184 11.747 ( -4.555 2.471 -0.131) 5.184 11.989 ( -2.811 -1.417 0.577) 3.200 11.989 ( -2.811 1.417 0.577) 3.200 12.085 ( -0.745 -1.148 0.773) 1.572 12.085 ( -0.745 1.148 0.773) 1.572 12.200 ( 2.333 -1.338 -0.058) 2.691 12.200 ( 2.333 1.338 -0.058) 2.691 12.274 ( 2.560 -2.613 0.630) 3.712 12.274 ( 2.560 2.613 0.630) 3.712 12.438 ( 3.864 -3.141 0.365) 4.993 12.438 ( 3.864 3.141 0.365) 4.993 12.520 ( 7.488 -1.700 0.024) 7.678 12.520 ( 7.488 1.700 0.024) 7.678 12.560 ( -2.021 -1.038 2.191) 3.156 12.560 ( -2.021 1.038 2.191) 3.156 12.696 ( 2.068 -2.202 -2.018) 3.633 12.696 ( 2.068 2.202 -2.018) 3.633 12.795 ( 0.989 -0.817 0.614) 1.422 12.795 ( 0.989 0.817 0.614) 1.422 12.880 ( 1.402 -1.533 -2.362) 3.145 12.880 ( 1.402 1.533 -2.362) 3.145 12.919 ( -2.073 -3.519 0.021) 4.085 12.919 ( -2.073 3.519 0.021) 4.085 13.025 ( 0.796 -1.600 -0.229) 1.802 13.025 ( 0.796 1.600 -0.229) 1.802 13.190 ( -2.348 -2.524 -3.230) 4.724 13.190 ( -2.348 2.524 -3.230) 4.724 13.399 ( 0.886 -6.008 -4.937) 7.826 13.399 ( 0.886 6.008 -4.937) 7.826 13.766 ( 2.458 -5.782 -0.371) 6.294 13.766 ( 2.458 5.782 -0.371) 6.294 13.961 ( 3.088 -4.693 4.621) 7.274 13.961 ( 3.088 4.693 4.621) 7.274 14.063 ( 2.209 -1.872 3.797) 4.775 14.063 ( 2.209 1.872 3.797) 4.775 14.207 ( 1.817 -1.640 1.528) 2.885 14.207 ( 1.817 1.640 1.528) 2.885 14.446 ( 0.227 -2.038 2.476) 3.215 14.446 ( 0.227 2.038 2.476) 3.215 14.572 ( -0.104 -0.671 -4.112) 4.168 14.572 ( -0.104 0.671 -4.112) 4.168 14.782 ( -0.676 -2.326 -1.660) 2.936 14.782 ( -0.676 2.326 -1.660) 2.936 14.896 ( -4.241 -2.082 1.612) 4.992 14.896 ( -4.241 2.082 1.612) 4.992 ======================= Grid point 124 (69/69) ======================= q-point: (-0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -10.132 -10.295 18.944) 23.823 1.483 ( -10.132 10.295 18.944) 23.823 1.622 ( -13.063 -13.757 16.668) 25.253 1.622 ( -13.063 13.757 16.668) 25.253 2.160 ( -5.502 -5.923 -11.667) 14.194 2.160 ( -5.502 5.923 -11.667) 14.194 2.432 ( -4.259 -10.134 -16.935) 20.190 2.432 ( -4.259 10.134 -16.935) 20.190 2.583 ( -3.586 -5.557 -2.228) 6.979 2.583 ( -3.586 5.557 -2.228) 6.979 2.688 ( -2.781 -4.708 -0.675) 5.509 2.688 ( -2.781 4.708 -0.675) 5.509 2.792 ( -13.898 -27.628 22.611) 38.311 2.792 ( -13.898 27.628 22.611) 38.311 3.114 ( -1.072 -10.890 -0.263) 10.946 3.114 ( -1.072 10.890 -0.263) 10.946 3.221 ( -2.248 -5.653 2.050) 6.420 3.221 ( -2.248 5.653 2.050) 6.420 3.300 ( -1.987 -4.960 0.609) 5.377 3.300 ( -1.987 4.960 0.609) 5.377 3.476 ( -0.296 -1.861 -1.303) 2.291 3.476 ( -0.296 1.861 -1.303) 2.291 3.601 ( 1.396 -4.075 -3.018) 5.260 3.601 ( 1.396 4.075 -3.018) 5.260 3.676 ( 2.006 -3.593 0.899) 4.213 3.676 ( 2.006 3.593 0.899) 4.213 3.739 ( 2.153 -1.358 -0.496) 2.594 3.739 ( 2.153 1.358 -0.496) 2.594 3.781 ( 0.295 -1.840 0.037) 1.864 3.781 ( 0.295 1.840 0.037) 1.864 3.913 ( 0.023 -2.707 0.026) 2.707 3.913 ( 0.023 2.707 0.026) 2.707 3.964 ( -2.593 -1.436 -4.703) 5.559 3.964 ( -2.593 1.436 -4.703) 5.559 4.055 ( 0.961 -1.490 -1.908) 2.605 4.055 ( 0.961 1.490 -1.908) 2.605 4.115 ( 2.647 -2.753 -0.123) 3.821 4.115 ( 2.647 2.753 -0.123) 3.821 4.199 ( 1.914 -1.357 -1.518) 2.795 4.199 ( 1.914 1.357 -1.518) 2.795 4.336 ( 5.106 -3.895 2.081) 6.751 4.336 ( 5.106 3.895 2.081) 6.751 4.412 ( 0.065 -2.544 -3.588) 4.399 4.412 ( 0.065 2.544 -3.588) 4.399 4.510 ( 1.710 -3.351 -1.373) 4.005 4.510 ( 1.710 3.351 -1.373) 4.005 4.615 ( 3.648 -1.675 -4.777) 6.240 4.615 ( 3.648 1.675 -4.777) 6.240 4.681 ( 0.553 -0.759 -2.060) 2.264 4.681 ( 0.553 0.759 -2.060) 2.264 4.759 ( 1.785 -0.968 1.912) 2.789 4.759 ( 1.785 0.968 1.912) 2.789 4.780 ( -2.857 -3.594 0.087) 4.592 4.780 ( -2.857 3.594 0.087) 4.592 4.899 ( 3.057 -3.029 2.357) 4.907 4.899 ( 3.057 3.029 2.357) 4.907 4.958 ( -0.327 -2.895 0.221) 2.922 4.958 ( -0.327 2.895 0.221) 2.922 5.067 ( -1.151 -2.534 0.223) 2.792 5.067 ( -1.151 2.534 0.223) 2.792 5.149 ( 1.845 -3.631 0.866) 4.164 5.149 ( 1.845 3.631 0.866) 4.164 5.195 ( -1.035 -2.151 1.628) 2.889 5.195 ( -1.035 2.151 1.628) 2.889 5.302 ( 1.264 -3.927 1.056) 4.259 5.302 ( 1.264 3.927 1.056) 4.259 5.384 ( -3.860 -4.295 1.993) 6.109 5.384 ( -3.860 4.295 1.993) 6.109 5.507 ( 1.288 -0.726 1.209) 1.910 5.507 ( 1.288 0.726 1.209) 1.910 5.600 ( 1.001 -0.668 -2.148) 2.462 5.600 ( 1.001 0.668 -2.148) 2.462 5.986 ( -2.282 -2.687 1.413) 3.798 5.986 ( -2.282 2.687 1.413) 3.798 6.069 ( -1.572 -1.534 -2.428) 3.275 6.069 ( -1.572 1.534 -2.428) 3.275 6.502 ( 0.431 -1.275 -0.576) 1.464 6.502 ( 0.431 1.275 -0.576) 1.464 6.679 ( 5.588 -1.913 -1.290) 6.045 6.679 ( 5.588 1.913 -1.290) 6.045 6.884 ( 3.387 -1.366 3.986) 5.406 6.884 ( 3.387 1.366 3.986) 5.406 7.014 ( 0.559 -1.902 -2.855) 3.476 7.014 ( 0.559 1.902 -2.855) 3.476 7.306 ( -3.016 -2.624 0.493) 4.028 7.306 ( -3.016 2.624 0.493) 4.028 7.407 ( -0.183 -1.906 -2.337) 3.021 7.407 ( -0.183 1.906 -2.337) 3.021 7.566 ( -1.962 -0.276 -1.611) 2.554 7.566 ( -1.962 0.276 -1.611) 2.554 7.721 ( -0.132 -1.081 3.302) 3.477 7.721 ( -0.132 1.081 3.302) 3.477 7.806 ( 2.310 -1.292 -2.229) 3.461 7.806 ( 2.310 1.292 -2.229) 3.461 8.143 ( -0.268 -2.314 -0.899) 2.497 8.143 ( -0.268 2.314 -0.899) 2.497 8.273 ( 1.468 -0.899 -2.686) 3.191 8.273 ( 1.468 0.899 -2.686) 3.191 8.322 ( 3.698 -1.453 1.829) 4.374 8.322 ( 3.698 1.453 1.829) 4.374 8.478 ( 5.385 -3.187 0.675) 6.294 8.478 ( 5.385 3.187 0.675) 6.294 8.648 ( 2.841 -1.555 0.887) 3.358 8.648 ( 2.841 1.555 0.887) 3.358 8.682 ( 0.227 -0.767 -1.737) 1.912 8.682 ( 0.227 0.767 -1.737) 1.912 8.810 ( -4.037 -1.542 0.694) 4.377 8.810 ( -4.037 1.542 0.694) 4.377 9.033 ( 0.123 -0.910 2.069) 2.263 9.033 ( 0.123 0.910 2.069) 2.263 9.136 ( 2.865 -2.542 -0.810) 3.915 9.136 ( 2.865 2.542 -0.810) 3.915 9.190 ( 3.139 -3.940 -0.772) 5.096 9.190 ( 3.139 3.940 -0.772) 5.096 9.271 ( -0.679 -1.396 0.739) 1.719 9.271 ( -0.679 1.396 0.739) 1.719 9.442 ( 6.048 -4.174 4.812) 8.784 9.442 ( 6.048 4.174 4.812) 8.784 9.647 ( -1.646 -3.899 2.027) 4.693 9.647 ( -1.646 3.899 2.027) 4.693 9.831 ( -5.173 -2.816 -0.547) 5.915 9.831 ( -5.173 2.816 -0.547) 5.915 9.944 ( -0.425 -1.414 -0.359) 1.520 9.944 ( -0.425 1.414 -0.359) 1.520 10.043 ( -8.077 -1.105 0.592) 8.174 10.043 ( -8.077 1.105 0.592) 8.174 10.187 ( -2.346 -0.438 -1.689) 2.923 10.187 ( -2.346 0.438 -1.689) 2.923 10.379 ( -5.143 -2.342 -4.482) 7.213 10.379 ( -5.143 2.342 -4.482) 7.213 10.562 ( -2.451 -2.399 -0.568) 3.476 10.562 ( -2.451 2.399 -0.568) 3.476 10.835 ( 3.455 -0.863 -0.316) 3.575 10.835 ( 3.455 0.863 -0.316) 3.575 10.881 ( 0.580 -1.580 0.263) 1.703 10.881 ( 0.580 1.580 0.263) 1.703 11.000 ( -2.891 -4.428 -1.010) 5.384 11.000 ( -2.891 4.428 -1.010) 5.384 11.064 ( -1.155 -2.336 1.758) 3.144 11.064 ( -1.155 2.336 1.758) 3.144 11.297 ( -0.270 -0.287 0.936) 1.015 11.297 ( -0.270 0.287 0.936) 1.015 11.361 ( -0.847 -0.375 2.564) 2.726 11.361 ( -0.847 0.375 2.564) 2.726 11.634 ( 0.846 -1.133 -0.491) 1.497 11.634 ( 0.846 1.133 -0.491) 1.497 11.679 ( -2.073 -1.181 -1.302) 2.718 11.679 ( -2.073 1.181 -1.302) 2.718 11.963 ( -1.450 -0.686 1.988) 2.555 11.963 ( -1.450 0.686 1.988) 2.555 12.073 ( -0.640 -2.001 -0.235) 2.114 12.073 ( -0.640 2.001 -0.235) 2.114 12.215 ( 0.322 -0.987 -0.792) 1.305 12.215 ( 0.322 0.987 -0.792) 1.305 12.344 ( 3.658 -1.784 2.312) 4.681 12.344 ( 3.658 1.784 2.312) 4.681 12.470 ( 0.501 -2.508 -1.928) 3.203 12.470 ( 0.501 2.508 -1.928) 3.203 12.561 ( 0.116 -1.154 2.202) 2.489 12.561 ( 0.116 1.154 2.202) 2.489 12.639 ( 3.531 -2.712 1.720) 4.773 12.639 ( 3.531 2.712 1.720) 4.773 12.716 ( 2.599 -1.885 -2.460) 4.045 12.716 ( 2.599 1.885 -2.460) 4.045 12.818 ( -1.099 -1.963 -1.390) 2.645 12.818 ( -1.099 1.963 -1.390) 2.645 12.825 ( -0.393 -1.269 1.554) 2.044 12.825 ( -0.393 1.269 1.554) 2.044 12.938 ( 1.437 -1.803 -0.017) 2.306 12.938 ( 1.437 1.803 -0.017) 2.306 13.056 ( 0.885 -0.961 0.178) 1.319 13.056 ( 0.885 0.961 0.178) 1.319 13.129 ( -0.174 -3.273 -2.631) 4.203 13.129 ( -0.174 3.273 -2.631) 4.203 13.362 ( 0.070 -4.518 -6.156) 7.636 13.362 ( 0.070 4.518 -6.156) 7.636 13.786 ( 0.837 -4.468 -0.490) 4.572 13.786 ( 0.837 4.468 -0.490) 4.572 14.007 ( -1.141 -2.027 2.009) 3.074 14.007 ( -1.141 2.027 2.009) 3.074 14.113 ( -0.307 -1.536 5.076) 5.312 14.113 ( -0.307 1.536 5.076) 5.312 14.291 ( 5.432 -1.104 0.503) 5.566 14.291 ( 5.432 1.104 0.503) 5.566 14.455 ( -2.767 -1.012 1.425) 3.273 14.455 ( -2.767 1.012 1.425) 3.273 14.567 ( 4.390 -0.925 -3.102) 5.454 14.567 ( 4.390 0.925 -3.102) 5.454 14.760 ( -0.259 -1.185 -1.354) 1.818 14.760 ( -0.259 1.185 -1.354) 1.818 14.828 ( -5.022 -0.920 1.849) 5.430 14.828 ( -5.022 0.920 1.849) 5.430 =================== 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 3/34560 10.0 7304.874 8255.647 7271.161 0.000 -49.325 0.000 3/34560 20.0 1309.505 1171.556 1356.232 0.000 -100.888 0.000 3/34560 30.0 387.514 327.713 378.780 0.000 -24.741 0.000 3/34560 40.0 178.822 147.912 171.293 0.000 -11.260 0.000 3/34560 50.0 105.201 86.119 99.974 0.000 -6.735 0.000 3/34560 60.0 70.940 57.747 67.149 0.000 -4.607 0.000 3/34560 70.0 52.016 42.212 49.122 0.000 -3.408 0.000 3/34560 80.0 40.336 32.682 38.035 0.000 -2.656 0.000 3/34560 90.0 32.559 26.364 30.669 0.000 -2.150 0.000 3/34560 100.0 27.089 21.931 25.495 0.000 -1.791 0.000 3/34560 110.0 23.077 18.684 21.705 0.000 -1.527 0.000 3/34560 120.0 20.036 16.225 18.833 0.000 -1.327 0.000 3/34560 130.0 17.668 14.310 16.599 0.000 -1.171 0.000 3/34560 140.0 15.782 12.784 14.819 0.000 -1.046 0.000 3/34560 150.0 14.249 11.544 13.374 0.000 -0.946 0.000 3/34560 160.0 12.984 10.520 12.182 0.000 -0.863 0.000 3/34560 170.0 11.924 9.661 11.183 0.000 -0.793 0.000 3/34560 180.0 11.024 8.932 10.335 0.000 -0.734 0.000 3/34560 190.0 10.251 8.305 9.608 0.000 -0.683 0.000 3/34560 200.0 9.581 7.762 8.978 0.000 -0.639 0.000 3/34560 210.0 8.995 7.286 8.426 0.000 -0.601 0.000 3/34560 220.0 8.478 6.867 7.940 0.000 -0.567 0.000 3/34560 230.0 8.019 6.494 7.509 0.000 -0.537 0.000 3/34560 240.0 7.609 6.161 7.123 0.000 -0.510 0.000 3/34560 250.0 7.239 5.861 6.776 0.000 -0.486 0.000 3/34560 260.0 6.905 5.590 6.462 0.000 -0.464 0.000 3/34560 270.0 6.602 5.344 6.177 0.000 -0.444 0.000 3/34560 280.0 6.325 5.119 5.917 0.000 -0.426 0.000 3/34560 290.0 6.071 4.913 5.679 0.000 -0.409 0.000 3/34560 300.0 5.837 4.723 5.460 0.000 -0.394 0.000 3/34560 310.0 5.621 4.548 5.257 0.000 -0.380 0.000 3/34560 320.0 5.422 4.386 5.070 0.000 -0.367 0.000 3/34560 330.0 5.236 4.235 4.896 0.000 -0.354 0.000 3/34560 340.0 5.063 4.095 4.734 0.000 -0.343 0.000 3/34560 350.0 4.902 3.964 4.582 0.000 -0.332 0.000 3/34560 360.0 4.750 3.841 4.441 0.000 -0.322 0.000 3/34560 370.0 4.609 3.726 4.308 0.000 -0.313 0.000 3/34560 380.0 4.475 3.618 4.183 0.000 -0.304 0.000 3/34560 390.0 4.350 3.516 4.065 0.000 -0.296 0.000 3/34560 400.0 4.231 3.420 3.954 0.000 -0.288 0.000 3/34560 410.0 4.119 3.329 3.850 0.000 -0.280 0.000 3/34560 420.0 4.013 3.243 3.750 0.000 -0.273 0.000 3/34560 430.0 3.912 3.162 3.656 0.000 -0.267 0.000 3/34560 440.0 3.817 3.084 3.567 0.000 -0.260 0.000 3/34560 450.0 3.726 3.010 3.481 0.000 -0.254 0.000 3/34560 460.0 3.639 2.940 3.400 0.000 -0.248 0.000 3/34560 470.0 3.557 2.874 3.323 0.000 -0.243 0.000 3/34560 480.0 3.478 2.810 3.250 0.000 -0.238 0.000 3/34560 490.0 3.403 2.749 3.179 0.000 -0.232 0.000 3/34560 500.0 3.331 2.690 3.112 0.000 -0.228 0.000 3/34560 510.0 3.262 2.635 3.047 0.000 -0.223 0.000 3/34560 520.0 3.196 2.581 2.985 0.000 -0.219 0.000 3/34560 530.0 3.132 2.530 2.926 0.000 -0.214 0.000 3/34560 540.0 3.072 2.480 2.869 0.000 -0.210 0.000 3/34560 550.0 3.013 2.433 2.814 0.000 -0.206 0.000 3/34560 560.0 2.957 2.388 2.762 0.000 -0.202 0.000 3/34560 570.0 2.903 2.344 2.711 0.000 -0.199 0.000 3/34560 580.0 2.850 2.301 2.662 0.000 -0.195 0.000 3/34560 590.0 2.800 2.261 2.615 0.000 -0.192 0.000 3/34560 600.0 2.752 2.221 2.570 0.000 -0.189 0.000 3/34560 610.0 2.705 2.183 2.526 0.000 -0.185 0.000 3/34560 620.0 2.659 2.147 2.484 0.000 -0.182 0.000 3/34560 630.0 2.616 2.111 2.443 0.000 -0.179 0.000 3/34560 640.0 2.573 2.077 2.403 0.000 -0.177 0.000 3/34560 650.0 2.532 2.044 2.365 0.000 -0.174 0.000 3/34560 660.0 2.493 2.012 2.328 0.000 -0.171 0.000 3/34560 670.0 2.454 1.981 2.292 0.000 -0.168 0.000 3/34560 680.0 2.417 1.951 2.257 0.000 -0.166 0.000 3/34560 690.0 2.381 1.922 2.224 0.000 -0.164 0.000 3/34560 700.0 2.346 1.893 2.191 0.000 -0.161 0.000 3/34560 710.0 2.312 1.866 2.159 0.000 -0.159 0.000 3/34560 720.0 2.279 1.839 2.128 0.000 -0.157 0.000 3/34560 730.0 2.247 1.813 2.098 0.000 -0.154 0.000 3/34560 740.0 2.216 1.788 2.069 0.000 -0.152 0.000 3/34560 750.0 2.186 1.764 2.041 0.000 -0.150 0.000 3/34560 760.0 2.156 1.740 2.013 0.000 -0.148 0.000 3/34560 770.0 2.127 1.717 1.987 0.000 -0.146 0.000 3/34560 780.0 2.100 1.694 1.960 0.000 -0.144 0.000 3/34560 790.0 2.072 1.672 1.935 0.000 -0.143 0.000 3/34560 800.0 2.046 1.651 1.910 0.000 -0.141 0.000 3/34560 810.0 2.020 1.630 1.886 0.000 -0.139 0.000 3/34560 820.0 1.995 1.610 1.863 0.000 -0.137 0.000 3/34560 830.0 1.970 1.590 1.840 0.000 -0.136 0.000 3/34560 840.0 1.946 1.570 1.817 0.000 -0.134 0.000 3/34560 850.0 1.923 1.552 1.796 0.000 -0.132 0.000 3/34560 860.0 1.900 1.533 1.774 0.000 -0.131 0.000 3/34560 870.0 1.878 1.515 1.753 0.000 -0.129 0.000 3/34560 880.0 1.856 1.498 1.733 0.000 -0.128 0.000 3/34560 890.0 1.835 1.480 1.713 0.000 -0.126 0.000 3/34560 900.0 1.814 1.464 1.694 0.000 -0.125 0.000 3/34560 910.0 1.794 1.447 1.675 0.000 -0.124 0.000 3/34560 920.0 1.774 1.431 1.657 0.000 -0.122 0.000 3/34560 930.0 1.755 1.416 1.638 0.000 -0.121 0.000 3/34560 940.0 1.736 1.400 1.621 0.000 -0.120 0.000 3/34560 950.0 1.717 1.385 1.603 0.000 -0.118 0.000 3/34560 960.0 1.699 1.371 1.586 0.000 -0.117 0.000 3/34560 970.0 1.681 1.356 1.570 0.000 -0.116 0.000 3/34560 980.0 1.664 1.342 1.554 0.000 -0.115 0.000 3/34560 990.0 1.647 1.328 1.538 0.000 -0.113 0.000 3/34560 1000.0 1.630 1.315 1.522 0.000 -0.112 0.000 3/34560 Thermal conductivity related properties were written into "kappa-m945.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:26:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|