----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:11:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.364099190319608 0.000000000000000 0.000000000000000 b 0.000000000000000 6.954237670000002 0.000000000000000 c -6.633158141625468 0.000000000000000 11.139905378565139 Atomic positions (fractional): *1 Si 0.85644006012278 0.40753910320315 0.89593411162474 28.085 *2 Si 0.53999961221150 0.12908940213118 0.65574163436299 28.085 *3 Si 0.25183449552010 0.17628414692800 0.45525524417665 28.085 4 Si 0.46000038778850 0.12908940213118 0.84425836563701 28.085 5 Si 0.14355993987722 0.40753910320315 0.60406588837526 28.085 6 Si 0.74816550447990 0.17628414692800 0.04474475582335 28.085 7 Si 0.25183449552010 0.82371585307200 0.95525524417665 28.085 8 Si 0.85644006012278 0.59246089679685 0.39593411162474 28.085 9 Si 0.53999961221150 0.87091059786881 0.15574163436299 28.085 10 Si 0.74816550447990 0.82371585307200 0.54474475582335 28.085 11 Si 0.46000038778850 0.87091059786881 0.34425836563701 28.085 12 Si 0.14355993987722 0.59246089679685 0.10406588837526 28.085 *13 Sn 0.57374599952839 0.62912669981517 0.66695104151636 118.710 *14 Sn 0.12507294005799 0.03973976656177 0.17545697141156 118.710 *15 Sn 0.21898711186613 0.67873091428593 0.39970369000524 118.710 16 Sn 0.42625400047161 0.62912669981517 0.83304895848364 118.710 17 Sn 0.12507294005799 0.96026023343823 0.67545697141156 118.710 18 Sn 0.78101288813387 0.67873091428593 0.10029630999476 118.710 19 Sn 0.21898711186613 0.32126908571407 0.89970369000524 118.710 20 Sn 0.87492705994201 0.03973976656177 0.32454302858844 118.710 21 Sn 0.57374599952839 0.37087330018483 0.16695104151636 118.710 22 Sn 0.78101288813387 0.32126908571407 0.60029630999476 118.710 23 Sn 0.87492705994201 0.96026023343823 0.82454302858844 118.710 24 Sn 0.42625400047161 0.37087330018483 0.33304895848364 118.710 *25 O 0.74779130113166 0.57854518576921 0.83274253544295 15.999 *26 O 0.81137842806227 0.24487182666950 0.96209247342889 15.999 *27 O 0.60188148604073 0.30472644729503 0.61455017738984 15.999 *28 O 0.64653498801577 0.95004423857903 0.71532818345619 15.999 *29 O 0.39368951617177 0.05404721023883 0.54053157078609 15.999 *30 O 0.50000000000000 0.22465011769850 0.75000000000000 15.999 31 O 0.60631048382823 0.05404721023883 0.95946842921391 15.999 *32 O 0.28257296501942 0.36475707544843 0.39733964304192 15.999 *33 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 *34 O 0.11950319956048 0.72130004048075 0.19924115505587 15.999 *35 O 0.14489861210632 0.03043031929644 0.35029694414263 15.999 36 O 0.35346501198423 0.95004423857903 0.78467181654381 15.999 37 O 0.39811851395927 0.30472644729503 0.88544982261016 15.999 38 O 0.18862157193773 0.24487182666950 0.53790752657111 15.999 39 O 0.25220869886834 0.57854518576921 0.66725746455705 15.999 40 O 0.85510138789368 0.03043031929644 0.14970305585737 15.999 41 O 0.28257296501942 0.63524292455156 0.89733964304192 15.999 42 O 0.88049680043952 0.72130004048075 0.30075884494413 15.999 43 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 44 O 0.11950319956048 0.27869995951925 0.69924115505587 15.999 45 O 0.71742703498058 0.36475707544843 0.10266035695808 15.999 46 O 0.14489861210632 0.96956968070356 0.85029694414263 15.999 47 O 0.74779130113166 0.42145481423079 0.33274253544295 15.999 48 O 0.81137842806227 0.75512817333050 0.46209247342889 15.999 49 O 0.60188148604073 0.69527355270498 0.11455017738985 15.999 50 O 0.64653498801577 0.04995576142097 0.21532818345619 15.999 51 O 0.85510138789368 0.96956968070356 0.64970305585737 15.999 52 O 0.88049680043952 0.27869995951925 0.80075884494413 15.999 53 O 0.71742703498058 0.63524292455156 0.60266035695808 15.999 54 O 0.39368951617177 0.94595278976117 0.04053157078609 15.999 55 O 0.50000000000000 0.77534988230150 0.25000000000000 15.999 56 O 0.60631048382823 0.94595278976117 0.45946842921391 15.999 57 O 0.35346501198423 0.04995576142097 0.28467181654381 15.999 58 O 0.39811851395927 0.69527355270498 0.38544982261015 15.999 59 O 0.18862157193773 0.75512817333050 0.03790752657111 15.999 60 O 0.25220869886834 0.42145481423079 0.16725746455706 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.364099190319608 0.000000000000000 0.000000000000000 b 0.000000000000000 6.954237670000002 0.000000000000000 c -6.633158141625468 0.000000000000000 11.139905378565139 Atomic positions (fractional): *1 Si 0.85644006012278 0.40753910320315 0.89593411162474 28.085 > 1 *2 Si 0.53999961221150 0.12908940213118 0.65574163436299 28.085 > 2 *3 Si 0.25183449552010 0.17628414692800 0.45525524417665 28.085 > 3 4 Si 0.46000038778850 0.12908940213118 0.84425836563701 28.085 > 4 5 Si 0.14355993987722 0.40753910320315 0.60406588837526 28.085 > 5 6 Si 0.74816550447990 0.17628414692800 0.04474475582335 28.085 > 6 7 Si 0.25183449552010 0.82371585307200 0.95525524417665 28.085 > 7 8 Si 0.85644006012278 0.59246089679685 0.39593411162474 28.085 > 8 9 Si 0.53999961221150 0.87091059786881 0.15574163436299 28.085 > 9 10 Si 0.74816550447990 0.82371585307200 0.54474475582335 28.085 > 10 11 Si 0.46000038778850 0.87091059786881 0.34425836563701 28.085 > 11 12 Si 0.14355993987722 0.59246089679685 0.10406588837526 28.085 > 12 *13 Sn 0.57374599952839 0.62912669981517 0.66695104151636 118.710 > 13 *14 Sn 0.12507294005799 0.03973976656177 0.17545697141156 118.710 > 14 *15 Sn 0.21898711186613 0.67873091428593 0.39970369000524 118.710 > 15 16 Sn 0.42625400047161 0.62912669981517 0.83304895848364 118.710 > 16 17 Sn 0.12507294005799 0.96026023343823 0.67545697141156 118.710 > 17 18 Sn 0.78101288813387 0.67873091428593 0.10029630999476 118.710 > 18 19 Sn 0.21898711186613 0.32126908571407 0.89970369000524 118.710 > 19 20 Sn 0.87492705994201 0.03973976656177 0.32454302858844 118.710 > 20 21 Sn 0.57374599952839 0.37087330018483 0.16695104151636 118.710 > 21 22 Sn 0.78101288813387 0.32126908571407 0.60029630999476 118.710 > 22 23 Sn 0.87492705994201 0.96026023343823 0.82454302858844 118.710 > 23 24 Sn 0.42625400047161 0.37087330018483 0.33304895848364 118.710 > 24 *25 O 0.74779130113166 0.57854518576921 0.83274253544295 15.999 > 25 *26 O 0.81137842806227 0.24487182666950 0.96209247342889 15.999 > 26 *27 O 0.60188148604073 0.30472644729503 0.61455017738984 15.999 > 27 *28 O 0.64653498801577 0.95004423857903 0.71532818345619 15.999 > 28 *29 O 0.39368951617177 0.05404721023883 0.54053157078609 15.999 > 29 *30 O 0.50000000000000 0.22465011769850 0.75000000000000 15.999 > 30 31 O 0.60631048382823 0.05404721023883 0.95946842921391 15.999 > 31 *32 O 0.28257296501942 0.36475707544843 0.39733964304192 15.999 > 32 *33 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 33 *34 O 0.11950319956048 0.72130004048075 0.19924115505587 15.999 > 34 *35 O 0.14489861210632 0.03043031929644 0.35029694414263 15.999 > 35 36 O 0.35346501198423 0.95004423857903 0.78467181654381 15.999 > 36 37 O 0.39811851395927 0.30472644729503 0.88544982261016 15.999 > 37 38 O 0.18862157193773 0.24487182666950 0.53790752657111 15.999 > 38 39 O 0.25220869886834 0.57854518576921 0.66725746455705 15.999 > 39 40 O 0.85510138789368 0.03043031929644 0.14970305585737 15.999 > 40 41 O 0.28257296501942 0.63524292455156 0.89733964304192 15.999 > 41 42 O 0.88049680043952 0.72130004048075 0.30075884494413 15.999 > 42 43 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 43 44 O 0.11950319956048 0.27869995951925 0.69924115505587 15.999 > 44 45 O 0.71742703498058 0.36475707544843 0.10266035695808 15.999 > 45 46 O 0.14489861210632 0.96956968070356 0.85029694414263 15.999 > 46 47 O 0.74779130113166 0.42145481423079 0.33274253544295 15.999 > 47 48 O 0.81137842806227 0.75512817333050 0.46209247342889 15.999 > 48 49 O 0.60188148604073 0.69527355270498 0.11455017738985 15.999 > 49 50 O 0.64653498801577 0.04995576142097 0.21532818345619 15.999 > 50 51 O 0.85510138789368 0.96956968070356 0.64970305585737 15.999 > 51 52 O 0.88049680043952 0.27869995951925 0.80075884494413 15.999 > 52 53 O 0.71742703498058 0.63524292455156 0.60266035695808 15.999 > 53 54 O 0.39368951617177 0.94595278976117 0.04053157078609 15.999 > 54 55 O 0.50000000000000 0.77534988230150 0.25000000000000 15.999 > 55 56 O 0.60631048382823 0.94595278976117 0.45946842921391 15.999 > 56 57 O 0.35346501198423 0.04995576142097 0.28467181654381 15.999 > 57 58 O 0.39811851395927 0.69527355270498 0.38544982261015 15.999 > 58 59 O 0.18862157193773 0.75512817333050 0.03790752657111 15.999 > 59 60 O 0.25220869886834 0.42145481423079 0.16725746455706 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.364099190319608 0.000000000000000 0.000000000000000 b 0.000000000000000 13.908475340000004 0.000000000000000 c -6.633158141625468 0.000000000000000 11.139905378565139 Atomic positions (fractional): *1 Si 0.85644006012278 0.20376955160157 0.89593411162474 28.085 > 1 2 Si 0.85644006012278 0.70376955160157 0.89593411162474 28.085 > 1 *3 Si 0.53999961221150 0.06454470106559 0.65574163436299 28.085 > 2 4 Si 0.53999961221150 0.56454470106559 0.65574163436299 28.085 > 2 *5 Si 0.25183449552010 0.08814207346400 0.45525524417665 28.085 > 3 6 Si 0.25183449552010 0.58814207346400 0.45525524417665 28.085 > 3 7 Si 0.46000038778850 0.06454470106559 0.84425836563701 28.085 > 4 8 Si 0.46000038778850 0.56454470106559 0.84425836563701 28.085 > 4 9 Si 0.14355993987722 0.20376955160157 0.60406588837526 28.085 > 5 10 Si 0.14355993987722 0.70376955160157 0.60406588837526 28.085 > 5 11 Si 0.74816550447990 0.08814207346400 0.04474475582335 28.085 > 6 12 Si 0.74816550447990 0.58814207346400 0.04474475582335 28.085 > 6 13 Si 0.25183449552010 0.41185792653600 0.95525524417665 28.085 > 7 14 Si 0.25183449552010 0.91185792653600 0.95525524417665 28.085 > 7 15 Si 0.85644006012278 0.29623044839843 0.39593411162474 28.085 > 8 16 Si 0.85644006012278 0.79623044839843 0.39593411162474 28.085 > 8 17 Si 0.53999961221150 0.43545529893441 0.15574163436299 28.085 > 9 18 Si 0.53999961221150 0.93545529893441 0.15574163436299 28.085 > 9 19 Si 0.74816550447990 0.41185792653600 0.54474475582335 28.085 > 10 20 Si 0.74816550447990 0.91185792653600 0.54474475582335 28.085 > 10 21 Si 0.46000038778850 0.43545529893441 0.34425836563701 28.085 > 11 22 Si 0.46000038778850 0.93545529893441 0.34425836563701 28.085 > 11 23 Si 0.14355993987722 0.29623044839843 0.10406588837526 28.085 > 12 24 Si 0.14355993987722 0.79623044839843 0.10406588837526 28.085 > 12 *25 Sn 0.57374599952839 0.31456334990759 0.66695104151636 118.710 > 13 26 Sn 0.57374599952839 0.81456334990759 0.66695104151636 118.710 > 13 *27 Sn 0.12507294005799 0.01986988328089 0.17545697141156 118.710 > 14 28 Sn 0.12507294005799 0.51986988328089 0.17545697141156 118.710 > 14 *29 Sn 0.21898711186613 0.33936545714296 0.39970369000524 118.710 > 15 30 Sn 0.21898711186613 0.83936545714296 0.39970369000524 118.710 > 15 31 Sn 0.42625400047161 0.31456334990759 0.83304895848364 118.710 > 16 32 Sn 0.42625400047161 0.81456334990759 0.83304895848364 118.710 > 16 33 Sn 0.12507294005799 0.48013011671911 0.67545697141156 118.710 > 17 34 Sn 0.12507294005799 0.98013011671911 0.67545697141156 118.710 > 17 35 Sn 0.78101288813387 0.33936545714296 0.10029630999476 118.710 > 18 36 Sn 0.78101288813387 0.83936545714296 0.10029630999476 118.710 > 18 37 Sn 0.21898711186613 0.16063454285704 0.89970369000524 118.710 > 19 38 Sn 0.21898711186613 0.66063454285704 0.89970369000524 118.710 > 19 39 Sn 0.87492705994201 0.01986988328089 0.32454302858844 118.710 > 20 40 Sn 0.87492705994201 0.51986988328089 0.32454302858844 118.710 > 20 41 Sn 0.57374599952839 0.18543665009241 0.16695104151636 118.710 > 21 42 Sn 0.57374599952839 0.68543665009241 0.16695104151636 118.710 > 21 43 Sn 0.78101288813387 0.16063454285704 0.60029630999476 118.710 > 22 44 Sn 0.78101288813387 0.66063454285704 0.60029630999476 118.710 > 22 45 Sn 0.87492705994201 0.48013011671911 0.82454302858844 118.710 > 23 46 Sn 0.87492705994201 0.98013011671911 0.82454302858844 118.710 > 23 47 Sn 0.42625400047161 0.18543665009241 0.33304895848364 118.710 > 24 48 Sn 0.42625400047161 0.68543665009241 0.33304895848364 118.710 > 24 *49 O 0.74779130113166 0.28927259288461 0.83274253544295 15.999 > 25 50 O 0.74779130113166 0.78927259288461 0.83274253544295 15.999 > 25 *51 O 0.81137842806227 0.12243591333475 0.96209247342889 15.999 > 26 52 O 0.81137842806227 0.62243591333475 0.96209247342889 15.999 > 26 *53 O 0.60188148604073 0.15236322364751 0.61455017738984 15.999 > 27 54 O 0.60188148604073 0.65236322364751 0.61455017738984 15.999 > 27 *55 O 0.64653498801577 0.47502211928951 0.71532818345619 15.999 > 28 56 O 0.64653498801577 0.97502211928951 0.71532818345619 15.999 > 28 *57 O 0.39368951617177 0.02702360511942 0.54053157078609 15.999 > 29 58 O 0.39368951617177 0.52702360511942 0.54053157078609 15.999 > 29 *59 O 0.50000000000000 0.11232505884925 0.75000000000000 15.999 > 30 60 O 0.50000000000000 0.61232505884925 0.75000000000000 15.999 > 30 61 O 0.60631048382823 0.02702360511942 0.95946842921391 15.999 > 31 62 O 0.60631048382823 0.52702360511942 0.95946842921391 15.999 > 31 *63 O 0.28257296501942 0.18237853772422 0.39733964304192 15.999 > 32 64 O 0.28257296501942 0.68237853772422 0.39733964304192 15.999 > 32 *65 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 33 66 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 33 *67 O 0.11950319956048 0.36065002024037 0.19924115505587 15.999 > 34 68 O 0.11950319956048 0.86065002024037 0.19924115505587 15.999 > 34 *69 O 0.14489861210632 0.01521515964822 0.35029694414263 15.999 > 35 70 O 0.14489861210632 0.51521515964822 0.35029694414263 15.999 > 35 71 O 0.35346501198423 0.47502211928951 0.78467181654381 15.999 > 36 72 O 0.35346501198423 0.97502211928951 0.78467181654381 15.999 > 36 73 O 0.39811851395927 0.15236322364751 0.88544982261016 15.999 > 37 74 O 0.39811851395927 0.65236322364751 0.88544982261016 15.999 > 37 75 O 0.18862157193773 0.12243591333475 0.53790752657111 15.999 > 38 76 O 0.18862157193773 0.62243591333475 0.53790752657111 15.999 > 38 77 O 0.25220869886834 0.28927259288461 0.66725746455705 15.999 > 39 78 O 0.25220869886834 0.78927259288461 0.66725746455705 15.999 > 39 79 O 0.85510138789368 0.01521515964822 0.14970305585737 15.999 > 40 80 O 0.85510138789368 0.51521515964822 0.14970305585737 15.999 > 40 81 O 0.28257296501942 0.31762146227578 0.89733964304192 15.999 > 41 82 O 0.28257296501942 0.81762146227578 0.89733964304192 15.999 > 41 83 O 0.88049680043952 0.36065002024037 0.30075884494413 15.999 > 42 84 O 0.88049680043952 0.86065002024037 0.30075884494413 15.999 > 42 85 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 43 86 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 43 87 O 0.11950319956048 0.13934997975963 0.69924115505587 15.999 > 44 88 O 0.11950319956048 0.63934997975963 0.69924115505587 15.999 > 44 89 O 0.71742703498058 0.18237853772422 0.10266035695808 15.999 > 45 90 O 0.71742703498058 0.68237853772422 0.10266035695808 15.999 > 45 91 O 0.14489861210632 0.48478484035178 0.85029694414263 15.999 > 46 92 O 0.14489861210632 0.98478484035178 0.85029694414263 15.999 > 46 93 O 0.74779130113166 0.21072740711539 0.33274253544295 15.999 > 47 94 O 0.74779130113166 0.71072740711539 0.33274253544295 15.999 > 47 95 O 0.81137842806227 0.37756408666525 0.46209247342889 15.999 > 48 96 O 0.81137842806227 0.87756408666525 0.46209247342889 15.999 > 48 97 O 0.60188148604073 0.34763677635249 0.11455017738985 15.999 > 49 98 O 0.60188148604073 0.84763677635249 0.11455017738985 15.999 > 49 99 O 0.64653498801577 0.02497788071049 0.21532818345619 15.999 > 50 100 O 0.64653498801577 0.52497788071049 0.21532818345619 15.999 > 50 101 O 0.85510138789368 0.48478484035178 0.64970305585737 15.999 > 51 102 O 0.85510138789368 0.98478484035178 0.64970305585737 15.999 > 51 103 O 0.88049680043952 0.13934997975963 0.80075884494413 15.999 > 52 104 O 0.88049680043952 0.63934997975963 0.80075884494413 15.999 > 52 105 O 0.71742703498058 0.31762146227578 0.60266035695808 15.999 > 53 106 O 0.71742703498058 0.81762146227578 0.60266035695808 15.999 > 53 107 O 0.39368951617177 0.47297639488058 0.04053157078609 15.999 > 54 108 O 0.39368951617177 0.97297639488058 0.04053157078609 15.999 > 54 109 O 0.50000000000000 0.38767494115075 0.25000000000000 15.999 > 55 110 O 0.50000000000000 0.88767494115075 0.25000000000000 15.999 > 55 111 O 0.60631048382823 0.47297639488058 0.45946842921391 15.999 > 56 112 O 0.60631048382823 0.97297639488058 0.45946842921391 15.999 > 56 113 O 0.35346501198423 0.02497788071049 0.28467181654381 15.999 > 57 114 O 0.35346501198423 0.52497788071049 0.28467181654381 15.999 > 57 115 O 0.39811851395927 0.34763677635249 0.38544982261015 15.999 > 58 116 O 0.39811851395927 0.84763677635249 0.38544982261015 15.999 > 58 117 O 0.18862157193773 0.37756408666525 0.03790752657111 15.999 > 59 118 O 0.18862157193773 0.87756408666525 0.03790752657111 15.999 > 59 119 O 0.25220869886834 0.21072740711539 0.16725746455706 15.999 > 60 120 O 0.25220869886834 0.71072740711539 0.16725746455706 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9589213 0.0000000 -0.0769747 0.0000000 4.0078417 0.0000000 -0.0769726 0.0000000 4.1239877 -------------------------- Born effective charges -------------------------- 1 Si 3.3791559 -0.0075722 0.2764342 -0.3735656 3.7522915 0.3090613 0.0576872 0.0758452 3.7713736 2 Si 3.3430683 -0.1246745 -0.1642003 -0.0295817 3.5402739 -0.4396838 -0.0078219 -0.1291015 3.2741827 3 Si 3.3854360 0.2579440 -0.4474936 0.4356656 3.5949340 0.4474963 -0.1204370 0.2040237 3.6504896 4 Si 3.3430683 0.1246745 -0.1642003 0.0295817 3.5402739 0.4396838 -0.0078219 0.1291015 3.2741827 5 Si 3.3791559 0.0075722 0.2764342 0.3735656 3.7522915 -0.3090613 0.0576872 -0.0758452 3.7713736 6 Si 3.3854360 -0.2579440 -0.4474936 -0.4356656 3.5949340 -0.4474963 -0.1204370 -0.2040237 3.6504896 7 Si 3.3854360 -0.2579440 -0.4474936 -0.4356656 3.5949340 -0.4474963 -0.1204370 -0.2040237 3.6504896 8 Si 3.3791559 0.0075722 0.2764342 0.3735656 3.7522915 -0.3090613 0.0576872 -0.0758452 3.7713736 9 Si 3.3430683 0.1246745 -0.1642003 0.0295817 3.5402739 0.4396838 -0.0078219 0.1291015 3.2741827 10 Si 3.3854360 0.2579440 -0.4474936 0.4356656 3.5949340 0.4474963 -0.1204370 0.2040237 3.6504896 11 Si 3.3430683 -0.1246745 -0.1642003 -0.0295817 3.5402739 -0.4396838 -0.0078219 -0.1291015 3.2741827 12 Si 3.3791559 -0.0075722 0.2764342 -0.3735656 3.7522915 0.3090613 0.0576872 0.0758452 3.7713736 13 Sn 2.8788126 -0.0572463 0.0919368 -0.1680116 3.3039985 0.2497971 -0.2514292 0.2347237 2.5480744 14 Sn 3.0564855 0.1730750 0.2360176 0.4687658 2.6655353 -0.0706607 0.1685658 -0.2898491 2.8308068 15 Sn 2.7372350 -0.6090962 -0.0930203 -0.6050263 3.2350558 -0.5977601 -0.1671283 -0.4842676 2.8661736 16 Sn 2.8788126 0.0572463 0.0919368 0.1680116 3.3039985 -0.2497971 -0.2514292 -0.2347237 2.5480744 17 Sn 3.0564855 -0.1730750 0.2360176 -0.4687658 2.6655353 0.0706607 0.1685658 0.2898491 2.8308068 18 Sn 2.7372350 0.6090962 -0.0930203 0.6050263 3.2350558 0.5977601 -0.1671283 0.4842676 2.8661736 19 Sn 2.7372350 0.6090962 -0.0930203 0.6050263 3.2350558 0.5977601 -0.1671283 0.4842676 2.8661736 20 Sn 3.0564855 -0.1730750 0.2360176 -0.4687658 2.6655353 0.0706607 0.1685658 0.2898491 2.8308068 21 Sn 2.8788126 0.0572463 0.0919368 0.1680116 3.3039985 -0.2497971 -0.2514292 -0.2347237 2.5480744 22 Sn 2.7372350 -0.6090962 -0.0930203 -0.6050263 3.2350558 -0.5977601 -0.1671283 -0.4842676 2.8661736 23 Sn 3.0564855 0.1730750 0.2360176 0.4687658 2.6655353 -0.0706607 0.1685658 -0.2898491 2.8308068 24 Sn 2.8788126 -0.0572463 0.0919368 -0.1680116 3.3039985 0.2497971 -0.2514292 0.2347237 2.5480744 25 O -1.7339535 0.3451043 -0.5472606 0.4262648 -1.9950415 0.4214632 -0.8033547 0.6005004 -2.5232058 26 O -2.4177053 -0.4021539 0.9756860 -0.3991297 -1.9199516 0.4865719 0.9999257 0.4511989 -2.0875449 27 O -2.5367727 -0.1027919 0.4115266 -0.1395167 -2.4798016 0.1684877 0.2970526 -0.1230215 -1.5537546 28 O -2.2838131 0.1586522 -0.8942214 -0.0534944 -2.7306007 -0.0523672 -0.7508549 0.1185422 -1.4940676 29 O -1.8014355 0.1329834 -0.7260025 0.0356309 -1.6642689 0.0399708 -0.9057572 0.0628657 -2.3159112 30 O -2.2512205 0.0000000 1.0512924 0.0000000 -1.6234520 0.0000000 0.9509735 0.0000000 -2.0073009 31 O -1.8014355 -0.1329834 -0.7260025 -0.0356309 -1.6642689 -0.0399708 -0.9057572 -0.0628657 -2.3159112 32 O -2.4934999 -0.1527373 0.5446358 -0.0085873 -2.9700553 0.1120320 0.9305437 0.2514316 -1.3826460 33 O -2.3685556 -0.4729881 -1.1969492 -0.2993140 -1.6604673 -0.6430875 -1.1183749 -0.6739078 -2.6457272 34 O -1.4087762 0.1718325 0.1595668 0.2233379 -2.4445150 0.0481384 0.4965755 -0.0662586 -2.6598351 35 O -1.7943489 0.0044341 0.2492233 -0.1133707 -2.2458947 -0.3509057 0.1401333 -0.1128364 -2.5976215 36 O -2.2838131 -0.1586522 -0.8942214 0.0534944 -2.7306007 0.0523672 -0.7508549 -0.1185422 -1.4940676 37 O -2.5367727 0.1027919 0.4115266 0.1395167 -2.4798016 -0.1684877 0.2970526 0.1230215 -1.5537546 38 O -2.4177053 0.4021539 0.9756860 0.3991297 -1.9199516 -0.4865719 0.9999257 -0.4511989 -2.0875449 39 O -1.7339535 -0.3451043 -0.5472606 -0.4262648 -1.9950415 -0.4214632 -0.8033547 -0.6005004 -2.5232058 40 O -1.7943489 -0.0044341 0.2492233 0.1133707 -2.2458947 0.3509057 0.1401333 0.1128364 -2.5976215 41 O -2.4934999 0.1527373 0.5446358 0.0085873 -2.9700553 -0.1120320 0.9305437 -0.2514316 -1.3826460 42 O -1.4087762 -0.1718325 0.1595668 -0.2233379 -2.4445150 -0.0481384 0.4965755 0.0662586 -2.6598351 43 O -2.3685556 0.4729881 -1.1969492 0.2993140 -1.6604673 0.6430875 -1.1183749 0.6739078 -2.6457272 44 O -1.4087762 -0.1718325 0.1595668 -0.2233379 -2.4445150 -0.0481384 0.4965755 0.0662586 -2.6598351 45 O -2.4934999 0.1527373 0.5446358 0.0085873 -2.9700553 -0.1120320 0.9305437 -0.2514316 -1.3826460 46 O -1.7943489 -0.0044341 0.2492233 0.1133707 -2.2458947 0.3509057 0.1401333 0.1128364 -2.5976215 47 O -1.7339535 -0.3451043 -0.5472606 -0.4262648 -1.9950415 -0.4214632 -0.8033547 -0.6005004 -2.5232058 48 O -2.4177053 0.4021539 0.9756860 0.3991297 -1.9199516 -0.4865719 0.9999257 -0.4511989 -2.0875449 49 O -2.5367727 0.1027919 0.4115266 0.1395167 -2.4798016 -0.1684877 0.2970526 0.1230215 -1.5537546 50 O -2.2838131 -0.1586522 -0.8942214 0.0534944 -2.7306007 0.0523672 -0.7508549 -0.1185422 -1.4940676 51 O -1.7943489 0.0044341 0.2492233 -0.1133707 -2.2458947 -0.3509057 0.1401333 -0.1128364 -2.5976215 52 O -1.4087762 0.1718325 0.1595668 0.2233379 -2.4445150 0.0481384 0.4965755 -0.0662586 -2.6598351 53 O -2.4934999 -0.1527373 0.5446358 -0.0085873 -2.9700553 0.1120320 0.9305437 0.2514316 -1.3826460 54 O -1.8014355 -0.1329834 -0.7260025 -0.0356309 -1.6642689 -0.0399708 -0.9057572 -0.0628657 -2.3159112 55 O -2.2512205 0.0000000 1.0512924 0.0000000 -1.6234520 0.0000000 0.9509735 0.0000000 -2.0073009 56 O -1.8014355 0.1329834 -0.7260025 0.0356309 -1.6642689 0.0399708 -0.9057572 0.0628657 -2.3159112 57 O -2.2838131 0.1586522 -0.8942214 -0.0534944 -2.7306007 -0.0523672 -0.7508549 0.1185422 -1.4940676 58 O -2.5367727 -0.1027919 0.4115266 -0.1395167 -2.4798016 0.1684877 0.2970526 -0.1230215 -1.5537546 59 O -2.4177053 -0.4021539 0.9756860 -0.3991297 -1.9199516 0.4865719 0.9999257 0.4511989 -2.0875449 60 O -1.7339535 0.3451043 -0.5472606 0.4262648 -1.9950415 0.4214632 -0.8033547 0.6005004 -2.5232058 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8290 Number of blocks in projector: 8290 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: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (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 / 1804 (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 / 1804 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1804 / 1804 (1) 289 eigenvectors found. (1) Complementary block size: 94 (1) Compute compressed projector. (1) Use standard solver. (1) 63 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1800 / 1800 (1) 272 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 83 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1800 / 1800 (1) 272 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 83 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 962 Use submatrix version of eigh solver. (1) Block: 500 / 962 (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: 962 / 962 (1) 446 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: 962 Use submatrix version of eigh solver. (1) Block: 500 / 962 (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: 962 / 962 (1) 446 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: 962 Use submatrix version of eigh solver. (1) Block: 500 / 962 (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: 962 / 962 (1) 446 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: - (8290, 8151), data: False |-- (962, 946), data: False |-- (962, 16), data: (962, 32) @ (32, 16) |-- (462, 446), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (962, 946), data: False |-- (962, 16), data: (962, 32) @ (32, 16) |-- (462, 446), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (962, 946), data: False |-- (962, 16), data: (962, 32) @ (32, 16) |-- (462, 446), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1800, 1770), data: False |-- (1800, 83), data: (1800, 113) @ (113, 83) |-- (300, 272), data: True |-- (500, 471), data: False |-- (500, 19), data: (500, 48) @ (48, 19) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 83), data: (1800, 113) @ (113, 83) |-- (300, 272), data: True |-- (500, 471), data: False |-- (500, 19), data: (500, 48) @ (48, 19) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1804, 1773), data: False |-- (1804, 63), data: (1804, 94) @ (94, 63) |-- (304, 289), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), 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 ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.432 Solver_block: 200 / 1840 - Time: 2.120 Solver_block: 300 / 1840 - Time: 2.123 Solver_block: 400 / 1840 - Time: 2.120 Solver_block: 500 / 1840 - Time: 2.122 Solver_block: 600 / 1840 - Time: 2.122 Solver_block: 700 / 1840 - Time: 2.124 Solver_block: 800 / 1840 - Time: 2.131 Solver_block: 900 / 1840 - Time: 2.122 Solver_block: 1000 / 1840 - Time: 2.124 Solver_block: 1100 / 1840 - Time: 2.127 Solver_block: 1200 / 1840 - Time: 2.130 Solver_block: 1300 / 1840 - Time: 2.130 Solver_block: 1400 / 1840 - Time: 2.116 Solver_block: 1500 / 1840 - Time: 2.113 Solver_block: 1600 / 1840 - Time: 2.126 Solver_block: 1700 / 1840 - Time: 2.131 Solver_block: 1800 / 1840 - Time: 2.128 Solver_block: 1840 / 1840 - Time: 1.055 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 40.703 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8290 Number of blocks in projector: 8290 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: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (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 / 1804 (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 / 1804 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1804 / 1804 (1) 289 eigenvectors found. (1) Complementary block size: 94 (1) Compute compressed projector. (1) Use standard solver. (1) 63 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1800 / 1800 (1) 272 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 83 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1800 / 1800 (1) 272 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 83 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 962 Use submatrix version of eigh solver. (1) Block: 500 / 962 (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: 962 / 962 (1) 446 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: 962 Use submatrix version of eigh solver. (1) Block: 500 / 962 (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: 962 / 962 (1) 446 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: 962 Use submatrix version of eigh solver. (1) Block: 500 / 962 (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: 962 / 962 (1) 446 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: - (8290, 8151), data: False |-- (962, 946), data: False |-- (962, 16), data: (962, 32) @ (32, 16) |-- (462, 446), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (962, 946), data: False |-- (962, 16), data: (962, 32) @ (32, 16) |-- (462, 446), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (962, 946), data: False |-- (962, 16), data: (962, 32) @ (32, 16) |-- (462, 446), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1800, 1770), data: False |-- (1800, 83), data: (1800, 113) @ (113, 83) |-- (300, 272), data: True |-- (500, 471), data: False |-- (500, 19), data: (500, 48) @ (48, 19) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 83), data: (1800, 113) @ (113, 83) |-- (300, 272), data: True |-- (500, 471), data: False |-- (500, 19), data: (500, 48) @ (48, 19) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1804, 1773), data: False |-- (1804, 63), data: (1804, 94) @ (94, 63) |-- (304, 289), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), 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 Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 2026-01-09 03:13:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:13:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.364099190319608 0.000000000000000 0.000000000000000 b 0.000000000000000 6.954237670000002 0.000000000000000 c -6.633158141625468 0.000000000000000 11.139905378565139 Atomic positions (fractional): 1 Si 0.85644006012278 0.40753910320315 0.89593411162474 28.085 2 Si 0.53999961221150 0.12908940213118 0.65574163436299 28.085 3 Si 0.25183449552010 0.17628414692800 0.45525524417665 28.085 4 Si 0.46000038778850 0.12908940213118 0.84425836563701 28.085 5 Si 0.14355993987722 0.40753910320315 0.60406588837526 28.085 6 Si 0.74816550447990 0.17628414692800 0.04474475582335 28.085 7 Si 0.25183449552010 0.82371585307200 0.95525524417665 28.085 8 Si 0.85644006012278 0.59246089679685 0.39593411162474 28.085 9 Si 0.53999961221150 0.87091059786881 0.15574163436299 28.085 10 Si 0.74816550447990 0.82371585307200 0.54474475582335 28.085 11 Si 0.46000038778850 0.87091059786881 0.34425836563701 28.085 12 Si 0.14355993987722 0.59246089679685 0.10406588837526 28.085 13 Sn 0.57374599952839 0.62912669981517 0.66695104151636 118.710 14 Sn 0.12507294005799 0.03973976656177 0.17545697141156 118.710 15 Sn 0.21898711186613 0.67873091428593 0.39970369000524 118.710 16 Sn 0.42625400047161 0.62912669981517 0.83304895848364 118.710 17 Sn 0.12507294005799 0.96026023343823 0.67545697141156 118.710 18 Sn 0.78101288813387 0.67873091428593 0.10029630999476 118.710 19 Sn 0.21898711186613 0.32126908571407 0.89970369000524 118.710 20 Sn 0.87492705994201 0.03973976656177 0.32454302858844 118.710 21 Sn 0.57374599952839 0.37087330018483 0.16695104151636 118.710 22 Sn 0.78101288813387 0.32126908571407 0.60029630999476 118.710 23 Sn 0.87492705994201 0.96026023343823 0.82454302858844 118.710 24 Sn 0.42625400047161 0.37087330018483 0.33304895848364 118.710 25 O 0.74779130113166 0.57854518576921 0.83274253544295 15.999 26 O 0.81137842806227 0.24487182666950 0.96209247342889 15.999 27 O 0.60188148604073 0.30472644729503 0.61455017738984 15.999 28 O 0.64653498801577 0.95004423857903 0.71532818345619 15.999 29 O 0.39368951617177 0.05404721023883 0.54053157078609 15.999 30 O 0.50000000000000 0.22465011769850 0.75000000000000 15.999 31 O 0.60631048382823 0.05404721023883 0.95946842921391 15.999 32 O 0.28257296501942 0.36475707544843 0.39733964304192 15.999 33 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 34 O 0.11950319956048 0.72130004048075 0.19924115505587 15.999 35 O 0.14489861210632 0.03043031929644 0.35029694414263 15.999 36 O 0.35346501198423 0.95004423857903 0.78467181654381 15.999 37 O 0.39811851395927 0.30472644729503 0.88544982261016 15.999 38 O 0.18862157193773 0.24487182666950 0.53790752657111 15.999 39 O 0.25220869886834 0.57854518576921 0.66725746455705 15.999 40 O 0.85510138789368 0.03043031929644 0.14970305585737 15.999 41 O 0.28257296501942 0.63524292455156 0.89733964304192 15.999 42 O 0.88049680043952 0.72130004048075 0.30075884494413 15.999 43 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 44 O 0.11950319956048 0.27869995951925 0.69924115505587 15.999 45 O 0.71742703498058 0.36475707544843 0.10266035695808 15.999 46 O 0.14489861210632 0.96956968070356 0.85029694414263 15.999 47 O 0.74779130113166 0.42145481423079 0.33274253544295 15.999 48 O 0.81137842806227 0.75512817333050 0.46209247342889 15.999 49 O 0.60188148604073 0.69527355270498 0.11455017738985 15.999 50 O 0.64653498801577 0.04995576142097 0.21532818345619 15.999 51 O 0.85510138789368 0.96956968070356 0.64970305585737 15.999 52 O 0.88049680043952 0.27869995951925 0.80075884494413 15.999 53 O 0.71742703498058 0.63524292455156 0.60266035695808 15.999 54 O 0.39368951617177 0.94595278976117 0.04053157078609 15.999 55 O 0.50000000000000 0.77534988230150 0.25000000000000 15.999 56 O 0.60631048382823 0.94595278976117 0.45946842921391 15.999 57 O 0.35346501198423 0.04995576142097 0.28467181654381 15.999 58 O 0.39811851395927 0.69527355270498 0.38544982261015 15.999 59 O 0.18862157193773 0.75512817333050 0.03790752657111 15.999 60 O 0.25220869886834 0.42145481423079 0.16725746455706 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.364099190319608 0.000000000000000 0.000000000000000 b 0.000000000000000 13.908475340000004 0.000000000000000 c -6.633158141625468 0.000000000000000 11.139905378565139 Atomic positions (fractional): 1 Si 0.85644006012278 0.20376955160157 0.89593411162474 28.085 > 1 2 Si 0.85644006012278 0.70376955160157 0.89593411162474 28.085 > 1 3 Si 0.53999961221150 0.06454470106559 0.65574163436299 28.085 > 3 4 Si 0.53999961221150 0.56454470106559 0.65574163436299 28.085 > 3 5 Si 0.25183449552010 0.08814207346400 0.45525524417665 28.085 > 5 6 Si 0.25183449552010 0.58814207346400 0.45525524417665 28.085 > 5 7 Si 0.46000038778850 0.06454470106559 0.84425836563701 28.085 > 7 8 Si 0.46000038778850 0.56454470106559 0.84425836563701 28.085 > 7 9 Si 0.14355993987722 0.20376955160157 0.60406588837526 28.085 > 9 10 Si 0.14355993987722 0.70376955160157 0.60406588837526 28.085 > 9 11 Si 0.74816550447990 0.08814207346400 0.04474475582335 28.085 > 11 12 Si 0.74816550447990 0.58814207346400 0.04474475582335 28.085 > 11 13 Si 0.25183449552010 0.41185792653600 0.95525524417665 28.085 > 13 14 Si 0.25183449552010 0.91185792653600 0.95525524417665 28.085 > 13 15 Si 0.85644006012278 0.29623044839843 0.39593411162474 28.085 > 15 16 Si 0.85644006012278 0.79623044839843 0.39593411162474 28.085 > 15 17 Si 0.53999961221150 0.43545529893441 0.15574163436299 28.085 > 17 18 Si 0.53999961221150 0.93545529893441 0.15574163436299 28.085 > 17 19 Si 0.74816550447990 0.41185792653600 0.54474475582335 28.085 > 19 20 Si 0.74816550447990 0.91185792653600 0.54474475582335 28.085 > 19 21 Si 0.46000038778850 0.43545529893441 0.34425836563701 28.085 > 21 22 Si 0.46000038778850 0.93545529893441 0.34425836563701 28.085 > 21 23 Si 0.14355993987722 0.29623044839843 0.10406588837526 28.085 > 23 24 Si 0.14355993987722 0.79623044839843 0.10406588837526 28.085 > 23 25 Sn 0.57374599952839 0.31456334990759 0.66695104151636 118.710 > 25 26 Sn 0.57374599952839 0.81456334990759 0.66695104151636 118.710 > 25 27 Sn 0.12507294005799 0.01986988328089 0.17545697141156 118.710 > 27 28 Sn 0.12507294005799 0.51986988328089 0.17545697141156 118.710 > 27 29 Sn 0.21898711186613 0.33936545714296 0.39970369000524 118.710 > 29 30 Sn 0.21898711186613 0.83936545714296 0.39970369000524 118.710 > 29 31 Sn 0.42625400047161 0.31456334990759 0.83304895848364 118.710 > 31 32 Sn 0.42625400047161 0.81456334990759 0.83304895848364 118.710 > 31 33 Sn 0.12507294005799 0.48013011671911 0.67545697141156 118.710 > 33 34 Sn 0.12507294005799 0.98013011671911 0.67545697141156 118.710 > 33 35 Sn 0.78101288813387 0.33936545714296 0.10029630999476 118.710 > 35 36 Sn 0.78101288813387 0.83936545714296 0.10029630999476 118.710 > 35 37 Sn 0.21898711186613 0.16063454285704 0.89970369000524 118.710 > 37 38 Sn 0.21898711186613 0.66063454285704 0.89970369000524 118.710 > 37 39 Sn 0.87492705994201 0.01986988328089 0.32454302858844 118.710 > 39 40 Sn 0.87492705994201 0.51986988328089 0.32454302858844 118.710 > 39 41 Sn 0.57374599952839 0.18543665009241 0.16695104151636 118.710 > 41 42 Sn 0.57374599952839 0.68543665009241 0.16695104151636 118.710 > 41 43 Sn 0.78101288813387 0.16063454285704 0.60029630999476 118.710 > 43 44 Sn 0.78101288813387 0.66063454285704 0.60029630999476 118.710 > 43 45 Sn 0.87492705994201 0.48013011671911 0.82454302858844 118.710 > 45 46 Sn 0.87492705994201 0.98013011671911 0.82454302858844 118.710 > 45 47 Sn 0.42625400047161 0.18543665009241 0.33304895848364 118.710 > 47 48 Sn 0.42625400047161 0.68543665009241 0.33304895848364 118.710 > 47 49 O 0.74779130113166 0.28927259288461 0.83274253544295 15.999 > 49 50 O 0.74779130113166 0.78927259288461 0.83274253544295 15.999 > 49 51 O 0.81137842806227 0.12243591333475 0.96209247342889 15.999 > 51 52 O 0.81137842806227 0.62243591333475 0.96209247342889 15.999 > 51 53 O 0.60188148604073 0.15236322364751 0.61455017738984 15.999 > 53 54 O 0.60188148604073 0.65236322364751 0.61455017738984 15.999 > 53 55 O 0.64653498801577 0.47502211928951 0.71532818345619 15.999 > 55 56 O 0.64653498801577 0.97502211928951 0.71532818345619 15.999 > 55 57 O 0.39368951617177 0.02702360511942 0.54053157078609 15.999 > 57 58 O 0.39368951617177 0.52702360511942 0.54053157078609 15.999 > 57 59 O 0.50000000000000 0.11232505884925 0.75000000000000 15.999 > 59 60 O 0.50000000000000 0.61232505884925 0.75000000000000 15.999 > 59 61 O 0.60631048382823 0.02702360511942 0.95946842921391 15.999 > 61 62 O 0.60631048382823 0.52702360511942 0.95946842921391 15.999 > 61 63 O 0.28257296501942 0.18237853772422 0.39733964304192 15.999 > 63 64 O 0.28257296501942 0.68237853772422 0.39733964304192 15.999 > 63 65 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 65 66 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 65 67 O 0.11950319956048 0.36065002024037 0.19924115505587 15.999 > 67 68 O 0.11950319956048 0.86065002024037 0.19924115505587 15.999 > 67 69 O 0.14489861210632 0.01521515964822 0.35029694414263 15.999 > 69 70 O 0.14489861210632 0.51521515964822 0.35029694414263 15.999 > 69 71 O 0.35346501198423 0.47502211928951 0.78467181654381 15.999 > 71 72 O 0.35346501198423 0.97502211928951 0.78467181654381 15.999 > 71 73 O 0.39811851395927 0.15236322364751 0.88544982261016 15.999 > 73 74 O 0.39811851395927 0.65236322364751 0.88544982261016 15.999 > 73 75 O 0.18862157193773 0.12243591333475 0.53790752657111 15.999 > 75 76 O 0.18862157193773 0.62243591333475 0.53790752657111 15.999 > 75 77 O 0.25220869886834 0.28927259288461 0.66725746455705 15.999 > 77 78 O 0.25220869886834 0.78927259288461 0.66725746455705 15.999 > 77 79 O 0.85510138789368 0.01521515964822 0.14970305585737 15.999 > 79 80 O 0.85510138789368 0.51521515964822 0.14970305585737 15.999 > 79 81 O 0.28257296501942 0.31762146227578 0.89733964304192 15.999 > 81 82 O 0.28257296501942 0.81762146227578 0.89733964304192 15.999 > 81 83 O 0.88049680043952 0.36065002024037 0.30075884494413 15.999 > 83 84 O 0.88049680043952 0.86065002024037 0.30075884494413 15.999 > 83 85 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 85 86 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 85 87 O 0.11950319956048 0.13934997975963 0.69924115505587 15.999 > 87 88 O 0.11950319956048 0.63934997975963 0.69924115505587 15.999 > 87 89 O 0.71742703498058 0.18237853772422 0.10266035695808 15.999 > 89 90 O 0.71742703498058 0.68237853772422 0.10266035695808 15.999 > 89 91 O 0.14489861210632 0.48478484035178 0.85029694414263 15.999 > 91 92 O 0.14489861210632 0.98478484035178 0.85029694414263 15.999 > 91 93 O 0.74779130113166 0.21072740711539 0.33274253544295 15.999 > 93 94 O 0.74779130113166 0.71072740711539 0.33274253544295 15.999 > 93 95 O 0.81137842806227 0.37756408666525 0.46209247342889 15.999 > 95 96 O 0.81137842806227 0.87756408666525 0.46209247342889 15.999 > 95 97 O 0.60188148604073 0.34763677635249 0.11455017738985 15.999 > 97 98 O 0.60188148604073 0.84763677635249 0.11455017738985 15.999 > 97 99 O 0.64653498801577 0.02497788071049 0.21532818345619 15.999 > 99 100 O 0.64653498801577 0.52497788071049 0.21532818345619 15.999 > 99 101 O 0.85510138789368 0.48478484035178 0.64970305585737 15.999 > 101 102 O 0.85510138789368 0.98478484035178 0.64970305585737 15.999 > 101 103 O 0.88049680043952 0.13934997975963 0.80075884494413 15.999 > 103 104 O 0.88049680043952 0.63934997975963 0.80075884494413 15.999 > 103 105 O 0.71742703498058 0.31762146227578 0.60266035695808 15.999 > 105 106 O 0.71742703498058 0.81762146227578 0.60266035695808 15.999 > 105 107 O 0.39368951617177 0.47297639488058 0.04053157078609 15.999 > 107 108 O 0.39368951617177 0.97297639488058 0.04053157078609 15.999 > 107 109 O 0.50000000000000 0.38767494115075 0.25000000000000 15.999 > 109 110 O 0.50000000000000 0.88767494115075 0.25000000000000 15.999 > 109 111 O 0.60631048382823 0.47297639488058 0.45946842921391 15.999 > 111 112 O 0.60631048382823 0.97297639488058 0.45946842921391 15.999 > 111 113 O 0.35346501198423 0.02497788071049 0.28467181654381 15.999 > 113 114 O 0.35346501198423 0.52497788071049 0.28467181654381 15.999 > 113 115 O 0.39811851395927 0.34763677635249 0.38544982261015 15.999 > 115 116 O 0.39811851395927 0.84763677635249 0.38544982261015 15.999 > 115 117 O 0.18862157193773 0.37756408666525 0.03790752657111 15.999 > 117 118 O 0.18862157193773 0.87756408666525 0.03790752657111 15.999 > 117 119 O 0.25220869886834 0.21072740711539 0.16725746455706 15.999 > 119 120 O 0.25220869886834 0.71072740711539 0.16725746455706 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9589213 0.0000000 -0.0769747 0.0000000 4.0078417 0.0000000 -0.0769726 0.0000000 4.1239877 -------------------------- Born effective charges -------------------------- 1 Si 3.3791559 -0.0075722 0.2764342 -0.3735656 3.7522915 0.3090613 0.0576872 0.0758452 3.7713736 2 Si 3.3430683 -0.1246745 -0.1642003 -0.0295817 3.5402739 -0.4396838 -0.0078219 -0.1291015 3.2741827 3 Si 3.3854360 0.2579440 -0.4474936 0.4356656 3.5949340 0.4474963 -0.1204370 0.2040237 3.6504896 4 Si 3.3430683 0.1246745 -0.1642003 0.0295817 3.5402739 0.4396838 -0.0078219 0.1291015 3.2741827 5 Si 3.3791559 0.0075722 0.2764342 0.3735656 3.7522915 -0.3090613 0.0576872 -0.0758452 3.7713736 6 Si 3.3854360 -0.2579440 -0.4474936 -0.4356656 3.5949340 -0.4474963 -0.1204370 -0.2040237 3.6504896 7 Si 3.3854360 -0.2579440 -0.4474936 -0.4356656 3.5949340 -0.4474963 -0.1204370 -0.2040237 3.6504896 8 Si 3.3791559 0.0075722 0.2764342 0.3735656 3.7522915 -0.3090613 0.0576872 -0.0758452 3.7713736 9 Si 3.3430683 0.1246745 -0.1642003 0.0295817 3.5402739 0.4396838 -0.0078219 0.1291015 3.2741827 10 Si 3.3854360 0.2579440 -0.4474936 0.4356656 3.5949340 0.4474963 -0.1204370 0.2040237 3.6504896 11 Si 3.3430683 -0.1246745 -0.1642003 -0.0295817 3.5402739 -0.4396838 -0.0078219 -0.1291015 3.2741827 12 Si 3.3791559 -0.0075722 0.2764342 -0.3735656 3.7522915 0.3090613 0.0576872 0.0758452 3.7713736 13 Sn 2.8788126 -0.0572463 0.0919368 -0.1680116 3.3039985 0.2497971 -0.2514292 0.2347237 2.5480744 14 Sn 3.0564855 0.1730750 0.2360176 0.4687658 2.6655353 -0.0706607 0.1685658 -0.2898491 2.8308068 15 Sn 2.7372350 -0.6090962 -0.0930203 -0.6050263 3.2350558 -0.5977601 -0.1671283 -0.4842676 2.8661736 16 Sn 2.8788126 0.0572463 0.0919368 0.1680116 3.3039985 -0.2497971 -0.2514292 -0.2347237 2.5480744 17 Sn 3.0564855 -0.1730750 0.2360176 -0.4687658 2.6655353 0.0706607 0.1685658 0.2898491 2.8308068 18 Sn 2.7372350 0.6090962 -0.0930203 0.6050263 3.2350558 0.5977601 -0.1671283 0.4842676 2.8661736 19 Sn 2.7372350 0.6090962 -0.0930203 0.6050263 3.2350558 0.5977601 -0.1671283 0.4842676 2.8661736 20 Sn 3.0564855 -0.1730750 0.2360176 -0.4687658 2.6655353 0.0706607 0.1685658 0.2898491 2.8308068 21 Sn 2.8788126 0.0572463 0.0919368 0.1680116 3.3039985 -0.2497971 -0.2514292 -0.2347237 2.5480744 22 Sn 2.7372350 -0.6090962 -0.0930203 -0.6050263 3.2350558 -0.5977601 -0.1671283 -0.4842676 2.8661736 23 Sn 3.0564855 0.1730750 0.2360176 0.4687658 2.6655353 -0.0706607 0.1685658 -0.2898491 2.8308068 24 Sn 2.8788126 -0.0572463 0.0919368 -0.1680116 3.3039985 0.2497971 -0.2514292 0.2347237 2.5480744 25 O -1.7339535 0.3451043 -0.5472606 0.4262648 -1.9950415 0.4214632 -0.8033547 0.6005004 -2.5232058 26 O -2.4177053 -0.4021539 0.9756860 -0.3991297 -1.9199516 0.4865719 0.9999257 0.4511989 -2.0875449 27 O -2.5367727 -0.1027919 0.4115266 -0.1395167 -2.4798016 0.1684877 0.2970526 -0.1230215 -1.5537546 28 O -2.2838131 0.1586522 -0.8942214 -0.0534944 -2.7306007 -0.0523672 -0.7508549 0.1185422 -1.4940676 29 O -1.8014355 0.1329834 -0.7260025 0.0356309 -1.6642689 0.0399708 -0.9057572 0.0628657 -2.3159112 30 O -2.2512205 0.0000000 1.0512924 0.0000000 -1.6234520 0.0000000 0.9509735 0.0000000 -2.0073009 31 O -1.8014355 -0.1329834 -0.7260025 -0.0356309 -1.6642689 -0.0399708 -0.9057572 -0.0628657 -2.3159112 32 O -2.4934999 -0.1527373 0.5446358 -0.0085873 -2.9700553 0.1120320 0.9305437 0.2514316 -1.3826460 33 O -2.3685556 -0.4729881 -1.1969492 -0.2993140 -1.6604673 -0.6430875 -1.1183749 -0.6739078 -2.6457272 34 O -1.4087762 0.1718325 0.1595668 0.2233379 -2.4445150 0.0481384 0.4965755 -0.0662586 -2.6598351 35 O -1.7943489 0.0044341 0.2492233 -0.1133707 -2.2458947 -0.3509057 0.1401333 -0.1128364 -2.5976215 36 O -2.2838131 -0.1586522 -0.8942214 0.0534944 -2.7306007 0.0523672 -0.7508549 -0.1185422 -1.4940676 37 O -2.5367727 0.1027919 0.4115266 0.1395167 -2.4798016 -0.1684877 0.2970526 0.1230215 -1.5537546 38 O -2.4177053 0.4021539 0.9756860 0.3991297 -1.9199516 -0.4865719 0.9999257 -0.4511989 -2.0875449 39 O -1.7339535 -0.3451043 -0.5472606 -0.4262648 -1.9950415 -0.4214632 -0.8033547 -0.6005004 -2.5232058 40 O -1.7943489 -0.0044341 0.2492233 0.1133707 -2.2458947 0.3509057 0.1401333 0.1128364 -2.5976215 41 O -2.4934999 0.1527373 0.5446358 0.0085873 -2.9700553 -0.1120320 0.9305437 -0.2514316 -1.3826460 42 O -1.4087762 -0.1718325 0.1595668 -0.2233379 -2.4445150 -0.0481384 0.4965755 0.0662586 -2.6598351 43 O -2.3685556 0.4729881 -1.1969492 0.2993140 -1.6604673 0.6430875 -1.1183749 0.6739078 -2.6457272 44 O -1.4087762 -0.1718325 0.1595668 -0.2233379 -2.4445150 -0.0481384 0.4965755 0.0662586 -2.6598351 45 O -2.4934999 0.1527373 0.5446358 0.0085873 -2.9700553 -0.1120320 0.9305437 -0.2514316 -1.3826460 46 O -1.7943489 -0.0044341 0.2492233 0.1133707 -2.2458947 0.3509057 0.1401333 0.1128364 -2.5976215 47 O -1.7339535 -0.3451043 -0.5472606 -0.4262648 -1.9950415 -0.4214632 -0.8033547 -0.6005004 -2.5232058 48 O -2.4177053 0.4021539 0.9756860 0.3991297 -1.9199516 -0.4865719 0.9999257 -0.4511989 -2.0875449 49 O -2.5367727 0.1027919 0.4115266 0.1395167 -2.4798016 -0.1684877 0.2970526 0.1230215 -1.5537546 50 O -2.2838131 -0.1586522 -0.8942214 0.0534944 -2.7306007 0.0523672 -0.7508549 -0.1185422 -1.4940676 51 O -1.7943489 0.0044341 0.2492233 -0.1133707 -2.2458947 -0.3509057 0.1401333 -0.1128364 -2.5976215 52 O -1.4087762 0.1718325 0.1595668 0.2233379 -2.4445150 0.0481384 0.4965755 -0.0662586 -2.6598351 53 O -2.4934999 -0.1527373 0.5446358 -0.0085873 -2.9700553 0.1120320 0.9305437 0.2514316 -1.3826460 54 O -1.8014355 -0.1329834 -0.7260025 -0.0356309 -1.6642689 -0.0399708 -0.9057572 -0.0628657 -2.3159112 55 O -2.2512205 0.0000000 1.0512924 0.0000000 -1.6234520 0.0000000 0.9509735 0.0000000 -2.0073009 56 O -1.8014355 0.1329834 -0.7260025 0.0356309 -1.6642689 0.0399708 -0.9057572 0.0628657 -2.3159112 57 O -2.2838131 0.1586522 -0.8942214 -0.0534944 -2.7306007 -0.0523672 -0.7508549 0.1185422 -1.4940676 58 O -2.5367727 -0.1027919 0.4115266 -0.1395167 -2.4798016 0.1684877 0.2970526 -0.1230215 -1.5537546 59 O -2.4177053 -0.4021539 0.9756860 -0.3991297 -1.9199516 0.4865719 0.9999257 0.4511989 -2.0875449 60 O -1.7339535 0.3451043 -0.5472606 0.4262648 -1.9950415 0.4214632 -0.8033547 0.6005004 -2.5232058 ---------------------------------------------------------------------------- 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 5, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 55, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 67, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 69, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:15:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:15:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.364099190319608 0.000000000000000 0.000000000000000 b 0.000000000000000 6.954237670000002 0.000000000000000 c -6.633158141625468 0.000000000000000 11.139905378565139 Atomic positions (fractional): 1 Si 0.85644006012278 0.40753910320315 0.89593411162474 28.085 2 Si 0.53999961221150 0.12908940213118 0.65574163436299 28.085 3 Si 0.25183449552010 0.17628414692800 0.45525524417665 28.085 4 Si 0.46000038778850 0.12908940213118 0.84425836563701 28.085 5 Si 0.14355993987722 0.40753910320315 0.60406588837526 28.085 6 Si 0.74816550447990 0.17628414692800 0.04474475582335 28.085 7 Si 0.25183449552010 0.82371585307200 0.95525524417665 28.085 8 Si 0.85644006012278 0.59246089679685 0.39593411162474 28.085 9 Si 0.53999961221150 0.87091059786881 0.15574163436299 28.085 10 Si 0.74816550447990 0.82371585307200 0.54474475582335 28.085 11 Si 0.46000038778850 0.87091059786881 0.34425836563701 28.085 12 Si 0.14355993987722 0.59246089679685 0.10406588837526 28.085 13 Sn 0.57374599952839 0.62912669981517 0.66695104151636 118.710 14 Sn 0.12507294005799 0.03973976656177 0.17545697141156 118.710 15 Sn 0.21898711186613 0.67873091428593 0.39970369000524 118.710 16 Sn 0.42625400047161 0.62912669981517 0.83304895848364 118.710 17 Sn 0.12507294005799 0.96026023343823 0.67545697141156 118.710 18 Sn 0.78101288813387 0.67873091428593 0.10029630999476 118.710 19 Sn 0.21898711186613 0.32126908571407 0.89970369000524 118.710 20 Sn 0.87492705994201 0.03973976656177 0.32454302858844 118.710 21 Sn 0.57374599952839 0.37087330018483 0.16695104151636 118.710 22 Sn 0.78101288813387 0.32126908571407 0.60029630999476 118.710 23 Sn 0.87492705994201 0.96026023343823 0.82454302858844 118.710 24 Sn 0.42625400047161 0.37087330018483 0.33304895848364 118.710 25 O 0.74779130113166 0.57854518576921 0.83274253544295 15.999 26 O 0.81137842806227 0.24487182666950 0.96209247342889 15.999 27 O 0.60188148604073 0.30472644729503 0.61455017738984 15.999 28 O 0.64653498801577 0.95004423857903 0.71532818345619 15.999 29 O 0.39368951617177 0.05404721023883 0.54053157078609 15.999 30 O 0.50000000000000 0.22465011769850 0.75000000000000 15.999 31 O 0.60631048382823 0.05404721023883 0.95946842921391 15.999 32 O 0.28257296501942 0.36475707544843 0.39733964304192 15.999 33 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 34 O 0.11950319956048 0.72130004048075 0.19924115505587 15.999 35 O 0.14489861210632 0.03043031929644 0.35029694414263 15.999 36 O 0.35346501198423 0.95004423857903 0.78467181654381 15.999 37 O 0.39811851395927 0.30472644729503 0.88544982261016 15.999 38 O 0.18862157193773 0.24487182666950 0.53790752657111 15.999 39 O 0.25220869886834 0.57854518576921 0.66725746455705 15.999 40 O 0.85510138789368 0.03043031929644 0.14970305585737 15.999 41 O 0.28257296501942 0.63524292455156 0.89733964304192 15.999 42 O 0.88049680043952 0.72130004048075 0.30075884494413 15.999 43 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 44 O 0.11950319956048 0.27869995951925 0.69924115505587 15.999 45 O 0.71742703498058 0.36475707544843 0.10266035695808 15.999 46 O 0.14489861210632 0.96956968070356 0.85029694414263 15.999 47 O 0.74779130113166 0.42145481423079 0.33274253544295 15.999 48 O 0.81137842806227 0.75512817333050 0.46209247342889 15.999 49 O 0.60188148604073 0.69527355270498 0.11455017738985 15.999 50 O 0.64653498801577 0.04995576142097 0.21532818345619 15.999 51 O 0.85510138789368 0.96956968070356 0.64970305585737 15.999 52 O 0.88049680043952 0.27869995951925 0.80075884494413 15.999 53 O 0.71742703498058 0.63524292455156 0.60266035695808 15.999 54 O 0.39368951617177 0.94595278976117 0.04053157078609 15.999 55 O 0.50000000000000 0.77534988230150 0.25000000000000 15.999 56 O 0.60631048382823 0.94595278976117 0.45946842921391 15.999 57 O 0.35346501198423 0.04995576142097 0.28467181654381 15.999 58 O 0.39811851395927 0.69527355270498 0.38544982261015 15.999 59 O 0.18862157193773 0.75512817333050 0.03790752657111 15.999 60 O 0.25220869886834 0.42145481423079 0.16725746455706 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.364099190319608 0.000000000000000 0.000000000000000 b 0.000000000000000 13.908475340000004 0.000000000000000 c -6.633158141625468 0.000000000000000 11.139905378565139 Atomic positions (fractional): 1 Si 0.85644006012278 0.20376955160157 0.89593411162474 28.085 > 1 2 Si 0.85644006012278 0.70376955160157 0.89593411162474 28.085 > 1 3 Si 0.53999961221150 0.06454470106559 0.65574163436299 28.085 > 3 4 Si 0.53999961221150 0.56454470106559 0.65574163436299 28.085 > 3 5 Si 0.25183449552010 0.08814207346400 0.45525524417665 28.085 > 5 6 Si 0.25183449552010 0.58814207346400 0.45525524417665 28.085 > 5 7 Si 0.46000038778850 0.06454470106559 0.84425836563701 28.085 > 7 8 Si 0.46000038778850 0.56454470106559 0.84425836563701 28.085 > 7 9 Si 0.14355993987722 0.20376955160157 0.60406588837526 28.085 > 9 10 Si 0.14355993987722 0.70376955160157 0.60406588837526 28.085 > 9 11 Si 0.74816550447990 0.08814207346400 0.04474475582335 28.085 > 11 12 Si 0.74816550447990 0.58814207346400 0.04474475582335 28.085 > 11 13 Si 0.25183449552010 0.41185792653600 0.95525524417665 28.085 > 13 14 Si 0.25183449552010 0.91185792653600 0.95525524417665 28.085 > 13 15 Si 0.85644006012278 0.29623044839843 0.39593411162474 28.085 > 15 16 Si 0.85644006012278 0.79623044839843 0.39593411162474 28.085 > 15 17 Si 0.53999961221150 0.43545529893441 0.15574163436299 28.085 > 17 18 Si 0.53999961221150 0.93545529893441 0.15574163436299 28.085 > 17 19 Si 0.74816550447990 0.41185792653600 0.54474475582335 28.085 > 19 20 Si 0.74816550447990 0.91185792653600 0.54474475582335 28.085 > 19 21 Si 0.46000038778850 0.43545529893441 0.34425836563701 28.085 > 21 22 Si 0.46000038778850 0.93545529893441 0.34425836563701 28.085 > 21 23 Si 0.14355993987722 0.29623044839843 0.10406588837526 28.085 > 23 24 Si 0.14355993987722 0.79623044839843 0.10406588837526 28.085 > 23 25 Sn 0.57374599952839 0.31456334990759 0.66695104151636 118.710 > 25 26 Sn 0.57374599952839 0.81456334990759 0.66695104151636 118.710 > 25 27 Sn 0.12507294005799 0.01986988328089 0.17545697141156 118.710 > 27 28 Sn 0.12507294005799 0.51986988328089 0.17545697141156 118.710 > 27 29 Sn 0.21898711186613 0.33936545714296 0.39970369000524 118.710 > 29 30 Sn 0.21898711186613 0.83936545714296 0.39970369000524 118.710 > 29 31 Sn 0.42625400047161 0.31456334990759 0.83304895848364 118.710 > 31 32 Sn 0.42625400047161 0.81456334990759 0.83304895848364 118.710 > 31 33 Sn 0.12507294005799 0.48013011671911 0.67545697141156 118.710 > 33 34 Sn 0.12507294005799 0.98013011671911 0.67545697141156 118.710 > 33 35 Sn 0.78101288813387 0.33936545714296 0.10029630999476 118.710 > 35 36 Sn 0.78101288813387 0.83936545714296 0.10029630999476 118.710 > 35 37 Sn 0.21898711186613 0.16063454285704 0.89970369000524 118.710 > 37 38 Sn 0.21898711186613 0.66063454285704 0.89970369000524 118.710 > 37 39 Sn 0.87492705994201 0.01986988328089 0.32454302858844 118.710 > 39 40 Sn 0.87492705994201 0.51986988328089 0.32454302858844 118.710 > 39 41 Sn 0.57374599952839 0.18543665009241 0.16695104151636 118.710 > 41 42 Sn 0.57374599952839 0.68543665009241 0.16695104151636 118.710 > 41 43 Sn 0.78101288813387 0.16063454285704 0.60029630999476 118.710 > 43 44 Sn 0.78101288813387 0.66063454285704 0.60029630999476 118.710 > 43 45 Sn 0.87492705994201 0.48013011671911 0.82454302858844 118.710 > 45 46 Sn 0.87492705994201 0.98013011671911 0.82454302858844 118.710 > 45 47 Sn 0.42625400047161 0.18543665009241 0.33304895848364 118.710 > 47 48 Sn 0.42625400047161 0.68543665009241 0.33304895848364 118.710 > 47 49 O 0.74779130113166 0.28927259288461 0.83274253544295 15.999 > 49 50 O 0.74779130113166 0.78927259288461 0.83274253544295 15.999 > 49 51 O 0.81137842806227 0.12243591333475 0.96209247342889 15.999 > 51 52 O 0.81137842806227 0.62243591333475 0.96209247342889 15.999 > 51 53 O 0.60188148604073 0.15236322364751 0.61455017738984 15.999 > 53 54 O 0.60188148604073 0.65236322364751 0.61455017738984 15.999 > 53 55 O 0.64653498801577 0.47502211928951 0.71532818345619 15.999 > 55 56 O 0.64653498801577 0.97502211928951 0.71532818345619 15.999 > 55 57 O 0.39368951617177 0.02702360511942 0.54053157078609 15.999 > 57 58 O 0.39368951617177 0.52702360511942 0.54053157078609 15.999 > 57 59 O 0.50000000000000 0.11232505884925 0.75000000000000 15.999 > 59 60 O 0.50000000000000 0.61232505884925 0.75000000000000 15.999 > 59 61 O 0.60631048382823 0.02702360511942 0.95946842921391 15.999 > 61 62 O 0.60631048382823 0.52702360511942 0.95946842921391 15.999 > 61 63 O 0.28257296501942 0.18237853772422 0.39733964304192 15.999 > 63 64 O 0.28257296501942 0.68237853772422 0.39733964304192 15.999 > 63 65 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 65 66 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 65 67 O 0.11950319956048 0.36065002024037 0.19924115505587 15.999 > 67 68 O 0.11950319956048 0.86065002024037 0.19924115505587 15.999 > 67 69 O 0.14489861210632 0.01521515964822 0.35029694414263 15.999 > 69 70 O 0.14489861210632 0.51521515964822 0.35029694414263 15.999 > 69 71 O 0.35346501198423 0.47502211928951 0.78467181654381 15.999 > 71 72 O 0.35346501198423 0.97502211928951 0.78467181654381 15.999 > 71 73 O 0.39811851395927 0.15236322364751 0.88544982261016 15.999 > 73 74 O 0.39811851395927 0.65236322364751 0.88544982261016 15.999 > 73 75 O 0.18862157193773 0.12243591333475 0.53790752657111 15.999 > 75 76 O 0.18862157193773 0.62243591333475 0.53790752657111 15.999 > 75 77 O 0.25220869886834 0.28927259288461 0.66725746455705 15.999 > 77 78 O 0.25220869886834 0.78927259288461 0.66725746455705 15.999 > 77 79 O 0.85510138789368 0.01521515964822 0.14970305585737 15.999 > 79 80 O 0.85510138789368 0.51521515964822 0.14970305585737 15.999 > 79 81 O 0.28257296501942 0.31762146227578 0.89733964304192 15.999 > 81 82 O 0.28257296501942 0.81762146227578 0.89733964304192 15.999 > 81 83 O 0.88049680043952 0.36065002024037 0.30075884494413 15.999 > 83 84 O 0.88049680043952 0.86065002024037 0.30075884494413 15.999 > 83 85 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 85 86 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 85 87 O 0.11950319956048 0.13934997975963 0.69924115505587 15.999 > 87 88 O 0.11950319956048 0.63934997975963 0.69924115505587 15.999 > 87 89 O 0.71742703498058 0.18237853772422 0.10266035695808 15.999 > 89 90 O 0.71742703498058 0.68237853772422 0.10266035695808 15.999 > 89 91 O 0.14489861210632 0.48478484035178 0.85029694414263 15.999 > 91 92 O 0.14489861210632 0.98478484035178 0.85029694414263 15.999 > 91 93 O 0.74779130113166 0.21072740711539 0.33274253544295 15.999 > 93 94 O 0.74779130113166 0.71072740711539 0.33274253544295 15.999 > 93 95 O 0.81137842806227 0.37756408666525 0.46209247342889 15.999 > 95 96 O 0.81137842806227 0.87756408666525 0.46209247342889 15.999 > 95 97 O 0.60188148604073 0.34763677635249 0.11455017738985 15.999 > 97 98 O 0.60188148604073 0.84763677635249 0.11455017738985 15.999 > 97 99 O 0.64653498801577 0.02497788071049 0.21532818345619 15.999 > 99 100 O 0.64653498801577 0.52497788071049 0.21532818345619 15.999 > 99 101 O 0.85510138789368 0.48478484035178 0.64970305585737 15.999 > 101 102 O 0.85510138789368 0.98478484035178 0.64970305585737 15.999 > 101 103 O 0.88049680043952 0.13934997975963 0.80075884494413 15.999 > 103 104 O 0.88049680043952 0.63934997975963 0.80075884494413 15.999 > 103 105 O 0.71742703498058 0.31762146227578 0.60266035695808 15.999 > 105 106 O 0.71742703498058 0.81762146227578 0.60266035695808 15.999 > 105 107 O 0.39368951617177 0.47297639488058 0.04053157078609 15.999 > 107 108 O 0.39368951617177 0.97297639488058 0.04053157078609 15.999 > 107 109 O 0.50000000000000 0.38767494115075 0.25000000000000 15.999 > 109 110 O 0.50000000000000 0.88767494115075 0.25000000000000 15.999 > 109 111 O 0.60631048382823 0.47297639488058 0.45946842921391 15.999 > 111 112 O 0.60631048382823 0.97297639488058 0.45946842921391 15.999 > 111 113 O 0.35346501198423 0.02497788071049 0.28467181654381 15.999 > 113 114 O 0.35346501198423 0.52497788071049 0.28467181654381 15.999 > 113 115 O 0.39811851395927 0.34763677635249 0.38544982261015 15.999 > 115 116 O 0.39811851395927 0.84763677635249 0.38544982261015 15.999 > 115 117 O 0.18862157193773 0.37756408666525 0.03790752657111 15.999 > 117 118 O 0.18862157193773 0.87756408666525 0.03790752657111 15.999 > 117 119 O 0.25220869886834 0.21072740711539 0.16725746455706 15.999 > 119 120 O 0.25220869886834 0.71072740711539 0.16725746455706 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9589213 0.0000000 -0.0769747 0.0000000 4.0078417 0.0000000 -0.0769726 0.0000000 4.1239877 -------------------------- Born effective charges -------------------------- 1 Si 3.3791559 -0.0075722 0.2764342 -0.3735656 3.7522915 0.3090613 0.0576872 0.0758452 3.7713736 2 Si 3.3430683 -0.1246745 -0.1642003 -0.0295817 3.5402739 -0.4396838 -0.0078219 -0.1291015 3.2741827 3 Si 3.3854360 0.2579440 -0.4474936 0.4356656 3.5949340 0.4474963 -0.1204370 0.2040237 3.6504896 4 Si 3.3430683 0.1246745 -0.1642003 0.0295817 3.5402739 0.4396838 -0.0078219 0.1291015 3.2741827 5 Si 3.3791559 0.0075722 0.2764342 0.3735656 3.7522915 -0.3090613 0.0576872 -0.0758452 3.7713736 6 Si 3.3854360 -0.2579440 -0.4474936 -0.4356656 3.5949340 -0.4474963 -0.1204370 -0.2040237 3.6504896 7 Si 3.3854360 -0.2579440 -0.4474936 -0.4356656 3.5949340 -0.4474963 -0.1204370 -0.2040237 3.6504896 8 Si 3.3791559 0.0075722 0.2764342 0.3735656 3.7522915 -0.3090613 0.0576872 -0.0758452 3.7713736 9 Si 3.3430683 0.1246745 -0.1642003 0.0295817 3.5402739 0.4396838 -0.0078219 0.1291015 3.2741827 10 Si 3.3854360 0.2579440 -0.4474936 0.4356656 3.5949340 0.4474963 -0.1204370 0.2040237 3.6504896 11 Si 3.3430683 -0.1246745 -0.1642003 -0.0295817 3.5402739 -0.4396838 -0.0078219 -0.1291015 3.2741827 12 Si 3.3791559 -0.0075722 0.2764342 -0.3735656 3.7522915 0.3090613 0.0576872 0.0758452 3.7713736 13 Sn 2.8788126 -0.0572463 0.0919368 -0.1680116 3.3039985 0.2497971 -0.2514292 0.2347237 2.5480744 14 Sn 3.0564855 0.1730750 0.2360176 0.4687658 2.6655353 -0.0706607 0.1685658 -0.2898491 2.8308068 15 Sn 2.7372350 -0.6090962 -0.0930203 -0.6050263 3.2350558 -0.5977601 -0.1671283 -0.4842676 2.8661736 16 Sn 2.8788126 0.0572463 0.0919368 0.1680116 3.3039985 -0.2497971 -0.2514292 -0.2347237 2.5480744 17 Sn 3.0564855 -0.1730750 0.2360176 -0.4687658 2.6655353 0.0706607 0.1685658 0.2898491 2.8308068 18 Sn 2.7372350 0.6090962 -0.0930203 0.6050263 3.2350558 0.5977601 -0.1671283 0.4842676 2.8661736 19 Sn 2.7372350 0.6090962 -0.0930203 0.6050263 3.2350558 0.5977601 -0.1671283 0.4842676 2.8661736 20 Sn 3.0564855 -0.1730750 0.2360176 -0.4687658 2.6655353 0.0706607 0.1685658 0.2898491 2.8308068 21 Sn 2.8788126 0.0572463 0.0919368 0.1680116 3.3039985 -0.2497971 -0.2514292 -0.2347237 2.5480744 22 Sn 2.7372350 -0.6090962 -0.0930203 -0.6050263 3.2350558 -0.5977601 -0.1671283 -0.4842676 2.8661736 23 Sn 3.0564855 0.1730750 0.2360176 0.4687658 2.6655353 -0.0706607 0.1685658 -0.2898491 2.8308068 24 Sn 2.8788126 -0.0572463 0.0919368 -0.1680116 3.3039985 0.2497971 -0.2514292 0.2347237 2.5480744 25 O -1.7339535 0.3451043 -0.5472606 0.4262648 -1.9950415 0.4214632 -0.8033547 0.6005004 -2.5232058 26 O -2.4177053 -0.4021539 0.9756860 -0.3991297 -1.9199516 0.4865719 0.9999257 0.4511989 -2.0875449 27 O -2.5367727 -0.1027919 0.4115266 -0.1395167 -2.4798016 0.1684877 0.2970526 -0.1230215 -1.5537546 28 O -2.2838131 0.1586522 -0.8942214 -0.0534944 -2.7306007 -0.0523672 -0.7508549 0.1185422 -1.4940676 29 O -1.8014355 0.1329834 -0.7260025 0.0356309 -1.6642689 0.0399708 -0.9057572 0.0628657 -2.3159112 30 O -2.2512205 0.0000000 1.0512924 0.0000000 -1.6234520 0.0000000 0.9509735 0.0000000 -2.0073009 31 O -1.8014355 -0.1329834 -0.7260025 -0.0356309 -1.6642689 -0.0399708 -0.9057572 -0.0628657 -2.3159112 32 O -2.4934999 -0.1527373 0.5446358 -0.0085873 -2.9700553 0.1120320 0.9305437 0.2514316 -1.3826460 33 O -2.3685556 -0.4729881 -1.1969492 -0.2993140 -1.6604673 -0.6430875 -1.1183749 -0.6739078 -2.6457272 34 O -1.4087762 0.1718325 0.1595668 0.2233379 -2.4445150 0.0481384 0.4965755 -0.0662586 -2.6598351 35 O -1.7943489 0.0044341 0.2492233 -0.1133707 -2.2458947 -0.3509057 0.1401333 -0.1128364 -2.5976215 36 O -2.2838131 -0.1586522 -0.8942214 0.0534944 -2.7306007 0.0523672 -0.7508549 -0.1185422 -1.4940676 37 O -2.5367727 0.1027919 0.4115266 0.1395167 -2.4798016 -0.1684877 0.2970526 0.1230215 -1.5537546 38 O -2.4177053 0.4021539 0.9756860 0.3991297 -1.9199516 -0.4865719 0.9999257 -0.4511989 -2.0875449 39 O -1.7339535 -0.3451043 -0.5472606 -0.4262648 -1.9950415 -0.4214632 -0.8033547 -0.6005004 -2.5232058 40 O -1.7943489 -0.0044341 0.2492233 0.1133707 -2.2458947 0.3509057 0.1401333 0.1128364 -2.5976215 41 O -2.4934999 0.1527373 0.5446358 0.0085873 -2.9700553 -0.1120320 0.9305437 -0.2514316 -1.3826460 42 O -1.4087762 -0.1718325 0.1595668 -0.2233379 -2.4445150 -0.0481384 0.4965755 0.0662586 -2.6598351 43 O -2.3685556 0.4729881 -1.1969492 0.2993140 -1.6604673 0.6430875 -1.1183749 0.6739078 -2.6457272 44 O -1.4087762 -0.1718325 0.1595668 -0.2233379 -2.4445150 -0.0481384 0.4965755 0.0662586 -2.6598351 45 O -2.4934999 0.1527373 0.5446358 0.0085873 -2.9700553 -0.1120320 0.9305437 -0.2514316 -1.3826460 46 O -1.7943489 -0.0044341 0.2492233 0.1133707 -2.2458947 0.3509057 0.1401333 0.1128364 -2.5976215 47 O -1.7339535 -0.3451043 -0.5472606 -0.4262648 -1.9950415 -0.4214632 -0.8033547 -0.6005004 -2.5232058 48 O -2.4177053 0.4021539 0.9756860 0.3991297 -1.9199516 -0.4865719 0.9999257 -0.4511989 -2.0875449 49 O -2.5367727 0.1027919 0.4115266 0.1395167 -2.4798016 -0.1684877 0.2970526 0.1230215 -1.5537546 50 O -2.2838131 -0.1586522 -0.8942214 0.0534944 -2.7306007 0.0523672 -0.7508549 -0.1185422 -1.4940676 51 O -1.7943489 0.0044341 0.2492233 -0.1133707 -2.2458947 -0.3509057 0.1401333 -0.1128364 -2.5976215 52 O -1.4087762 0.1718325 0.1595668 0.2233379 -2.4445150 0.0481384 0.4965755 -0.0662586 -2.6598351 53 O -2.4934999 -0.1527373 0.5446358 -0.0085873 -2.9700553 0.1120320 0.9305437 0.2514316 -1.3826460 54 O -1.8014355 -0.1329834 -0.7260025 -0.0356309 -1.6642689 -0.0399708 -0.9057572 -0.0628657 -2.3159112 55 O -2.2512205 0.0000000 1.0512924 0.0000000 -1.6234520 0.0000000 0.9509735 0.0000000 -2.0073009 56 O -1.8014355 0.1329834 -0.7260025 0.0356309 -1.6642689 0.0399708 -0.9057572 0.0628657 -2.3159112 57 O -2.2838131 0.1586522 -0.8942214 -0.0534944 -2.7306007 -0.0523672 -0.7508549 0.1185422 -1.4940676 58 O -2.5367727 -0.1027919 0.4115266 -0.1395167 -2.4798016 0.1684877 0.2970526 -0.1230215 -1.5537546 59 O -2.4177053 -0.4021539 0.9756860 -0.3991297 -1.9199516 0.4865719 0.9999257 0.4511989 -2.0875449 60 O -1.7339535 0.3451043 -0.5472606 0.4262648 -1.9950415 0.4214632 -0.8033547 0.6005004 -2.5232058 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 5 7 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 289, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/44) ======================= 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 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 1.045 ( 0.000 0.000 0.000) 0.000 1.150 ( 0.000 0.000 0.000) 0.000 1.251 ( 0.000 0.000 0.000) 0.000 1.268 ( 0.000 0.000 0.000) 0.000 1.449 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.981 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.649 ( 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 3.954 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.213 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.511 ( 0.000 0.000 0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 4.636 ( 0.000 0.000 0.000) 0.000 4.803 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.289 ( 0.000 0.000 0.000) 0.000 5.295 ( 0.000 0.000 0.000) 0.000 5.335 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 5.772 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.532 ( 0.000 0.000 0.000) 0.000 7.012 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.209 ( 0.000 0.000 0.000) 0.000 7.409 ( 0.000 0.000 0.000) 0.000 7.578 ( 0.000 0.000 0.000) 0.000 7.723 ( 0.000 0.000 0.000) 0.000 7.883 ( 0.000 0.000 0.000) 0.000 7.928 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.330 ( 0.000 0.000 0.000) 0.000 8.692 ( 0.000 0.000 0.000) 0.000 8.937 ( 0.000 0.000 0.000) 0.000 8.953 ( 0.000 0.000 0.000) 0.000 9.129 ( 0.000 0.000 0.000) 0.000 9.136 ( 0.000 0.000 0.000) 0.000 9.172 ( 0.000 0.000 0.000) 0.000 9.460 ( 0.000 0.000 0.000) 0.000 9.487 ( 0.000 0.000 0.000) 0.000 9.574 ( 0.000 0.000 0.000) 0.000 9.578 ( 0.000 0.000 0.000) 0.000 10.011 ( 0.000 0.000 0.000) 0.000 10.177 ( 0.000 0.000 0.000) 0.000 10.568 ( 0.000 0.000 0.000) 0.000 10.598 ( 0.000 0.000 0.000) 0.000 10.751 ( 0.000 0.000 0.000) 0.000 10.935 ( 0.000 0.000 0.000) 0.000 11.104 ( 0.000 0.000 0.000) 0.000 11.131 ( 0.000 0.000 0.000) 0.000 11.274 ( 0.000 0.000 0.000) 0.000 11.308 ( 0.000 0.000 0.000) 0.000 11.580 ( 0.000 0.000 0.000) 0.000 11.867 ( 0.000 0.000 0.000) 0.000 12.074 ( 0.000 0.000 0.000) 0.000 12.280 ( 0.000 0.000 0.000) 0.000 12.295 ( 0.000 0.000 0.000) 0.000 12.429 ( 0.000 0.000 0.000) 0.000 12.488 ( 0.000 0.000 0.000) 0.000 12.505 ( 0.000 0.000 0.000) 0.000 12.599 ( 0.000 0.000 0.000) 0.000 12.727 ( 0.000 0.000 0.000) 0.000 12.826 ( 0.000 0.000 0.000) 0.000 13.091 ( 0.000 0.000 0.000) 0.000 13.099 ( 0.000 0.000 0.000) 0.000 13.193 ( 0.000 0.000 0.000) 0.000 13.217 ( 0.000 0.000 0.000) 0.000 13.500 ( 0.000 0.000 0.000) 0.000 13.512 ( 0.000 0.000 0.000) 0.000 13.622 ( 0.000 0.000 0.000) 0.000 13.696 ( 0.000 0.000 0.000) 0.000 13.892 ( 0.000 0.000 0.000) 0.000 13.917 ( 0.000 0.000 0.000) 0.000 14.096 ( 0.000 0.000 0.000) 0.000 14.172 ( 0.000 0.000 0.000) 0.000 14.373 ( 0.000 0.000 0.000) 0.000 14.475 ( 0.000 0.000 0.000) 0.000 14.663 ( 0.000 0.000 0.000) 0.000 14.774 ( 0.000 0.000 0.000) 0.000 14.917 ( 0.000 0.000 0.000) 0.000 15.061 ( 0.000 0.000 0.000) 0.000 15.091 ( 0.000 0.000 0.000) 0.000 15.343 ( 0.000 0.000 0.000) 0.000 15.378 ( 0.000 0.000 0.000) 0.000 17.183 ( 0.000 0.000 0.000) 0.000 17.217 ( 0.000 0.000 0.000) 0.000 17.922 ( 0.000 0.000 0.000) 0.000 18.203 ( 0.000 0.000 0.000) 0.000 18.464 ( 0.000 0.000 0.000) 0.000 19.302 ( 0.000 0.000 0.000) 0.000 19.688 ( 0.000 0.000 0.000) 0.000 19.934 ( 0.000 0.000 0.000) 0.000 20.810 ( 0.000 0.000 0.000) 0.000 21.428 ( 0.000 0.000 0.000) 0.000 22.088 ( 0.000 0.000 0.000) 0.000 22.906 ( 0.000 0.000 0.000) 0.000 24.133 ( 0.000 0.000 0.000) 0.000 24.735 ( 0.000 0.000 0.000) 0.000 24.905 ( 0.000 0.000 0.000) 0.000 25.183 ( 0.000 0.000 0.000) 0.000 25.561 ( 0.000 0.000 0.000) 0.000 25.908 ( 0.000 0.000 0.000) 0.000 26.007 ( 0.000 0.000 0.000) 0.000 26.451 ( 0.000 0.000 0.000) 0.000 26.483 ( 0.000 0.000 0.000) 0.000 26.647 ( 0.000 0.000 0.000) 0.000 26.771 ( 0.000 0.000 0.000) 0.000 26.826 ( 0.000 0.000 0.000) 0.000 26.940 ( 0.000 0.000 0.000) 0.000 27.310 ( 0.000 0.000 0.000) 0.000 27.378 ( 0.000 0.000 0.000) 0.000 27.437 ( 0.000 0.000 0.000) 0.000 27.459 ( 0.000 0.000 0.000) 0.000 27.782 ( 0.000 0.000 0.000) 0.000 27.893 ( 0.000 0.000 0.000) 0.000 27.940 ( 0.000 0.000 0.000) 0.000 28.904 ( 0.000 0.000 0.000) 0.000 28.913 ( 0.000 0.000 0.000) 0.000 29.001 ( 0.000 0.000 0.000) 0.000 29.253 ( 0.000 0.000 0.000) 0.000 29.399 ( 0.000 0.000 0.000) 0.000 29.680 ( 0.000 0.000 0.000) 0.000 29.830 ( 0.000 0.000 0.000) 0.000 30.070 ( 0.000 0.000 0.000) 0.000 30.415 ( 0.000 0.000 0.000) 0.000 30.577 ( 0.000 0.000 0.000) 0.000 31.213 ( 0.000 0.000 0.000) 0.000 31.473 ( 0.000 0.000 0.000) 0.000 31.659 ( 0.000 0.000 0.000) 0.000 32.073 ( 0.000 0.000 0.000) 0.000 33.784 ( 0.000 0.000 0.000) 0.000 33.927 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/44) ======================= q-point: ( 0.20 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.143 ( 14.202 0.000 -1.563) 14.288 0.403 ( 12.233 0.000 15.721) 19.920 0.454 ( 11.156 0.000 23.207) 25.749 1.002 ( -1.656 0.000 -2.028) 2.618 1.183 ( -5.057 0.000 -4.356) 6.674 1.208 ( 1.995 0.000 2.006) 2.829 1.338 ( 2.855 0.000 4.058) 4.961 1.504 ( 4.365 0.000 3.090) 5.348 1.522 ( -4.662 0.000 -6.532) 8.025 1.641 ( 2.002 0.000 -0.264) 2.019 1.732 ( -0.324 0.000 -0.658) 0.734 1.862 ( -14.755 0.000 -9.503) 17.550 1.911 ( -4.204 0.000 -3.918) 5.747 2.069 ( -10.255 0.000 0.231) 10.258 2.149 ( 1.422 0.000 0.787) 1.625 2.330 ( -3.309 0.000 -6.966) 7.712 2.360 ( -3.919 0.000 -6.645) 7.715 2.411 ( 0.982 0.000 0.222) 1.007 2.427 ( -1.853 0.000 -3.415) 3.885 2.548 ( 3.296 0.000 -1.992) 3.851 2.581 ( 0.020 0.000 -6.179) 6.179 2.622 ( 0.418 0.000 -3.133) 3.161 2.737 ( -2.851 0.000 0.022) 2.851 2.757 ( -1.790 0.000 3.595) 4.016 2.884 ( 1.586 0.000 0.722) 1.743 2.919 ( -1.880 0.000 -2.055) 2.785 2.984 ( 2.057 0.000 -0.400) 2.096 3.046 ( -5.922 0.000 -2.094) 6.281 3.095 ( 5.813 0.000 4.523) 7.366 3.138 ( 1.998 0.000 -1.315) 2.392 3.261 ( -0.321 0.000 -4.150) 4.162 3.343 ( 2.179 0.000 0.278) 2.197 3.391 ( -0.436 0.000 -1.529) 1.590 3.605 ( -8.816 0.000 4.751) 10.015 3.671 ( 7.106 0.000 -1.185) 7.204 3.739 ( -4.385 0.000 -1.844) 4.757 3.764 ( -0.698 0.000 -4.534) 4.588 3.766 ( -1.717 0.000 7.916) 8.100 4.056 ( 0.635 0.000 -4.843) 4.884 4.094 ( -5.073 0.000 -6.098) 7.932 4.170 ( -4.173 0.000 -0.705) 4.232 4.218 ( 4.829 0.000 6.104) 7.784 4.414 ( -2.988 0.000 -1.044) 3.165 4.452 ( 0.489 0.000 7.803) 7.818 4.489 ( 5.179 0.000 3.071) 6.021 4.525 ( 0.648 0.000 0.492) 0.813 4.689 ( 3.789 0.000 8.618) 9.414 4.706 ( 3.663 0.000 4.039) 5.452 4.824 ( 1.157 0.000 0.139) 1.165 4.936 ( 2.335 0.000 6.067) 6.501 4.995 ( -3.835 0.000 -12.025) 12.622 5.168 ( -3.768 0.000 3.667) 5.258 5.251 ( 0.728 0.000 -6.473) 6.514 5.280 ( -2.019 0.000 4.064) 4.538 5.321 ( -6.339 0.000 -2.417) 6.784 5.334 ( 1.438 0.000 2.611) 2.981 5.425 ( -5.286 0.000 1.173) 5.415 5.548 ( 2.171 0.000 -0.332) 2.196 5.639 ( 10.472 0.000 -4.531) 11.410 5.761 ( -0.061 0.000 -4.288) 4.288 5.787 ( -3.449 0.000 -0.413) 3.474 5.919 ( -0.853 0.000 2.927) 3.049 5.982 ( 8.398 0.000 -6.853) 10.839 6.110 ( -1.184 0.000 1.824) 2.174 6.239 ( 9.347 0.000 2.838) 9.768 6.353 ( -1.616 0.000 0.234) 1.633 6.477 ( 0.562 0.000 -4.148) 4.186 6.609 ( 10.207 0.000 -9.671) 14.061 6.653 ( 5.940 0.000 5.042) 7.792 6.936 ( -5.018 0.000 -4.916) 7.025 7.063 ( 3.286 0.000 3.953) 5.141 7.161 ( 1.632 0.000 -4.721) 4.995 7.201 ( -0.704 0.000 0.427) 0.824 7.308 ( -19.077 0.000 5.110) 19.750 7.589 ( -0.390 0.000 1.286) 1.343 7.819 ( -7.475 0.000 4.892) 8.933 7.861 ( 1.197 0.000 2.598) 2.861 7.905 ( -3.824 0.000 2.223) 4.424 8.162 ( -8.659 0.000 -2.666) 9.060 8.414 ( 4.432 0.000 8.721) 9.783 8.770 ( 6.466 0.000 -0.820) 6.517 8.880 ( -8.107 0.000 -11.036) 13.693 8.921 ( 0.060 0.000 -5.911) 5.911 9.077 ( 4.403 0.000 6.623) 7.953 9.118 ( -5.067 0.000 3.201) 5.993 9.217 ( 2.899 0.000 2.771) 4.011 9.252 ( -7.592 0.000 -8.178) 11.158 9.474 ( 4.992 0.000 3.494) 6.093 9.716 ( 3.199 0.000 6.791) 7.507 9.843 ( 9.837 0.000 2.346) 10.113 10.053 ( 3.499 0.000 1.982) 4.022 10.213 ( 3.640 0.000 -0.585) 3.686 10.519 ( 2.616 0.000 -3.611) 4.459 10.769 ( -6.248 0.000 -7.543) 9.795 10.794 ( 2.745 0.000 0.980) 2.914 10.801 ( 12.000 0.000 10.710) 16.084 11.030 ( -3.074 0.000 -6.300) 7.009 11.232 ( 1.113 0.000 10.965) 11.021 11.398 ( -8.257 0.000 -10.625) 13.456 11.484 ( 8.196 0.000 10.586) 13.388 11.697 ( -2.752 0.000 13.602) 13.878 11.807 ( -7.298 0.000 4.917) 8.800 11.902 ( -15.031 0.000 0.296) 15.034 12.119 ( -4.996 0.000 -12.627) 13.579 12.310 ( -1.800 0.000 -2.734) 3.274 12.470 ( 0.338 0.000 -0.678) 0.758 12.561 ( 3.742 0.000 -0.983) 3.869 12.580 ( -0.110 0.000 -0.263) 0.285 12.739 ( 6.706 0.000 0.633) 6.736 12.901 ( 7.687 0.000 1.807) 7.896 12.908 ( -6.367 0.000 10.654) 12.411 12.932 ( -7.145 0.000 -7.231) 10.166 13.199 ( 6.556 0.000 1.379) 6.699 13.220 ( -0.931 0.000 -4.587) 4.681 13.435 ( -2.348 0.000 8.439) 8.759 13.527 ( 3.675 0.000 -2.049) 4.208 13.653 ( -9.068 0.000 1.358) 9.169 13.659 ( 2.284 0.000 1.170) 2.566 13.850 ( -6.029 0.000 3.541) 6.992 13.890 ( 2.547 0.000 -4.833) 5.463 14.115 ( 1.254 0.000 -10.162) 10.239 14.126 ( 2.309 0.000 3.148) 3.904 14.221 ( -2.308 0.000 -8.097) 8.419 14.429 ( 5.343 0.000 -4.306) 6.862 14.575 ( 11.522 0.000 -5.556) 12.791 14.670 ( 5.358 0.000 -5.501) 7.679 14.782 ( -1.352 0.000 5.859) 6.013 14.918 ( 0.859 0.000 -5.026) 5.099 15.046 ( -1.665 0.000 0.589) 1.766 15.128 ( 1.707 0.000 0.989) 1.973 15.382 ( -2.508 0.000 1.039) 2.715 15.419 ( 5.517 0.000 -6.925) 8.854 17.182 ( -2.724 0.000 -1.212) 2.982 17.187 ( 0.206 0.000 0.294) 0.359 17.999 ( 6.429 0.000 3.281) 7.218 18.073 ( -5.264 0.000 -5.179) 7.385 18.677 ( 12.135 0.000 8.168) 14.627 19.092 ( -12.581 0.000 -9.760) 15.923 19.812 ( 5.044 0.000 7.004) 8.631 19.831 ( -8.296 0.000 -3.126) 8.865 20.941 ( 11.564 0.000 -1.116) 11.618 21.309 ( -5.345 0.000 -7.925) 9.559 22.226 ( 7.729 0.000 7.144) 10.525 22.810 ( -7.205 0.000 -4.098) 8.289 24.242 ( -7.873 0.000 17.284) 18.993 24.736 ( -1.319 0.000 2.465) 2.796 24.909 ( 0.593 0.000 -0.193) 0.623 25.194 ( 2.440 0.000 -2.404) 3.425 25.557 ( -1.278 0.000 1.478) 1.954 25.957 ( -4.837 0.000 1.608) 5.098 26.166 ( 0.472 0.000 3.697) 3.727 26.447 ( -1.194 0.000 1.723) 2.097 26.642 ( 10.187 0.000 -16.266) 19.193 26.680 ( 2.928 0.000 0.544) 2.979 26.714 ( -2.807 0.000 -0.916) 2.953 26.874 ( -3.474 0.000 -4.004) 5.301 26.975 ( 4.035 0.000 7.609) 8.612 27.347 ( 3.318 0.000 -0.174) 3.322 27.421 ( 0.081 0.000 -1.130) 1.133 27.445 ( -0.421 0.000 3.827) 3.850 27.510 ( 2.011 0.000 2.707) 3.372 27.734 ( -3.597 0.000 -2.755) 4.531 27.924 ( -1.372 0.000 -0.362) 1.418 27.948 ( 3.590 0.000 3.797) 5.225 28.902 ( -0.444 0.000 0.556) 0.712 28.944 ( 1.785 0.000 2.112) 2.765 29.210 ( -3.118 0.000 -2.941) 4.286 29.349 ( -2.451 0.000 -4.088) 4.766 29.555 ( -7.835 0.000 -3.038) 8.403 29.886 ( -6.737 0.000 18.528) 19.715 29.906 ( 5.553 0.000 -0.700) 5.597 30.065 ( 1.914 0.000 -4.430) 4.826 30.560 ( -1.619 0.000 -0.129) 1.624 31.209 ( -6.706 0.000 11.392) 13.219 31.293 ( 22.677 0.000 -40.922) 46.785 31.535 ( 4.190 0.000 3.906) 5.728 31.673 ( 1.198 0.000 0.291) 1.233 32.032 ( -2.221 0.000 -3.911) 4.497 33.908 ( -2.768 0.000 1.448) 3.124 34.123 ( -12.525 0.000 20.636) 24.140 ======================= Grid point 2 (3/44) ======================= q-point: ( 0.40 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 12.425 0.000 -0.110) 12.425 0.757 ( 9.713 0.000 13.473) 16.609 0.808 ( 1.619 0.000 17.090) 17.167 0.984 ( 0.774 0.000 -0.016) 0.775 1.014 ( -6.389 0.000 -7.094) 9.547 1.174 ( -5.510 0.000 -2.281) 5.964 1.368 ( -2.199 0.000 0.897) 2.375 1.386 ( 0.501 0.000 -9.274) 9.287 1.478 ( -5.862 0.000 -7.730) 9.701 1.572 ( 1.028 0.000 -0.481) 1.135 1.724 ( 1.312 0.000 4.959) 5.130 1.802 ( 0.026 0.000 1.394) 1.394 1.819 ( -0.770 0.000 -4.507) 4.573 1.869 ( -5.847 0.000 -1.799) 6.117 2.170 ( -0.531 0.000 0.776) 0.940 2.177 ( -2.941 0.000 -4.326) 5.231 2.223 ( -1.174 0.000 -5.879) 5.995 2.392 ( -1.238 0.000 1.515) 1.956 2.433 ( 2.480 0.000 -4.823) 5.423 2.525 ( -5.066 0.000 4.644) 6.873 2.594 ( 0.786 0.000 -4.042) 4.117 2.602 ( 3.953 0.000 0.263) 3.962 2.694 ( -2.050 0.000 0.038) 2.050 2.785 ( 0.668 0.000 2.876) 2.953 2.890 ( -0.799 0.000 0.816) 1.142 2.909 ( -2.847 0.000 -0.644) 2.919 2.924 ( 0.111 0.000 -2.898) 2.901 2.955 ( -0.898 0.000 -2.560) 2.713 3.172 ( -0.740 0.000 2.412) 2.523 3.174 ( -0.417 0.000 -0.653) 0.775 3.291 ( 3.205 0.000 0.385) 3.228 3.302 ( -1.511 0.000 0.440) 1.574 3.407 ( 3.345 0.000 -0.772) 3.433 3.558 ( -1.123 0.000 2.822) 3.037 3.648 ( -3.915 0.000 1.426) 4.166 3.754 ( -0.028 0.000 -2.633) 2.633 3.759 ( 4.584 0.000 -1.120) 4.719 3.874 ( 2.990 0.000 3.058) 4.277 3.904 ( -4.641 0.000 -6.485) 7.975 4.006 ( -0.608 0.000 -0.994) 1.165 4.073 ( -4.422 0.000 -2.073) 4.884 4.302 ( -0.403 0.000 1.754) 1.800 4.388 ( 1.339 0.000 -0.130) 1.346 4.461 ( -0.416 0.000 0.318) 0.523 4.530 ( -0.678 0.000 0.339) 0.758 4.640 ( 2.906 0.000 4.172) 5.084 4.795 ( -0.648 0.000 6.174) 6.208 4.833 ( -0.245 0.000 -8.722) 8.725 4.841 ( 2.413 0.000 3.576) 4.314 4.857 ( 1.051 0.000 2.799) 2.989 5.009 ( 0.771 0.000 1.765) 1.926 5.145 ( -1.187 0.000 0.861) 1.467 5.166 ( -1.904 0.000 -4.647) 5.022 5.288 ( 3.112 0.000 -0.844) 3.224 5.304 ( 2.015 0.000 0.163) 2.022 5.362 ( -3.967 0.000 4.329) 5.872 5.365 ( -0.662 0.000 -0.427) 0.787 5.559 ( 0.450 0.000 -2.682) 2.720 5.662 ( -5.305 0.000 -0.792) 5.364 5.727 ( 0.156 0.000 0.358) 0.391 5.805 ( 5.584 0.000 3.007) 6.342 5.956 ( -0.527 0.000 -4.081) 4.114 5.959 ( 0.573 0.000 1.018) 1.168 6.128 ( 0.653 0.000 -0.291) 0.715 6.364 ( 3.936 0.000 -5.583) 6.831 6.400 ( 2.783 0.000 0.427) 2.816 6.521 ( 3.891 0.000 7.831) 8.745 6.665 ( 4.309 0.000 -5.396) 6.906 6.808 ( 4.543 0.000 3.553) 5.768 6.816 ( -2.198 0.000 -3.985) 4.551 6.901 ( -13.278 0.000 -2.909) 13.593 7.197 ( 1.743 0.000 -0.279) 1.765 7.231 ( 8.311 0.000 7.232) 11.017 7.271 ( 0.327 0.000 1.853) 1.881 7.505 ( -10.700 0.000 -3.410) 11.230 7.738 ( -3.175 0.000 0.723) 3.257 7.846 ( -3.238 0.000 0.989) 3.385 7.879 ( -0.730 0.000 1.137) 1.352 8.004 ( -3.805 0.000 -1.018) 3.939 8.612 ( 5.675 0.000 9.289) 10.886 8.685 ( -3.020 0.000 -4.569) 5.477 8.791 ( -1.956 0.000 -2.721) 3.351 8.837 ( -0.866 0.000 -10.237) 10.274 9.068 ( -1.503 0.000 6.221) 6.400 9.134 ( -1.330 0.000 -3.911) 4.131 9.222 ( 3.984 0.000 2.782) 4.859 9.286 ( 1.114 0.000 1.083) 1.553 9.644 ( 6.837 0.000 3.784) 7.814 9.793 ( 0.132 0.000 2.287) 2.290 9.925 ( 0.465 0.000 -0.257) 0.532 10.081 ( -0.968 0.000 -0.680) 1.183 10.265 ( 2.549 0.000 -0.385) 2.578 10.582 ( 4.358 0.000 -0.493) 4.386 10.656 ( -1.814 0.000 -0.327) 1.843 10.836 ( 1.158 0.000 -0.721) 1.364 10.936 ( -1.493 0.000 -2.649) 3.041 11.136 ( -6.334 0.000 -5.881) 8.644 11.211 ( 17.765 0.000 11.650) 21.244 11.340 ( 0.184 0.000 4.738) 4.741 11.596 ( -12.921 0.000 -3.186) 13.308 11.733 ( 2.606 0.000 5.316) 5.920 11.758 ( -2.222 0.000 3.509) 4.153 11.799 ( -0.617 0.000 9.379) 9.399 11.924 ( -1.444 0.000 -12.656) 12.739 12.204 ( -3.155 0.000 -3.264) 4.540 12.393 ( -4.984 0.000 -2.478) 5.566 12.582 ( 0.265 0.000 0.628) 0.681 12.626 ( 1.734 0.000 -0.843) 1.928 12.799 ( 0.994 0.000 -1.946) 2.185 12.841 ( 2.856 0.000 -0.971) 3.016 12.956 ( 2.580 0.000 3.734) 4.539 13.018 ( 1.804 0.000 4.436) 4.789 13.135 ( -2.436 0.000 -2.989) 3.856 13.200 ( -1.899 0.000 -4.414) 4.805 13.418 ( -7.929 0.000 -4.757) 9.247 13.604 ( 2.698 0.000 -0.323) 2.717 13.624 ( 6.403 0.000 10.355) 12.175 13.709 ( 2.409 0.000 -0.137) 2.413 13.793 ( -4.374 0.000 3.253) 5.451 13.868 ( 1.030 0.000 -5.285) 5.384 14.027 ( -2.915 0.000 -4.733) 5.559 14.103 ( -3.835 0.000 0.100) 3.837 14.247 ( 2.135 0.000 9.169) 9.414 14.396 ( 1.598 0.000 -10.808) 10.925 14.698 ( 4.991 0.000 -0.840) 5.061 14.765 ( 5.325 0.000 1.275) 5.476 14.817 ( -0.526 0.000 1.530) 1.618 14.879 ( -0.823 0.000 -1.370) 1.599 15.023 ( -1.166 0.000 0.433) 1.244 15.142 ( -0.364 0.000 -0.034) 0.366 15.331 ( -1.739 0.000 -1.002) 2.007 15.454 ( 2.006 0.000 -1.003) 2.243 17.125 ( -1.667 0.000 -0.778) 1.839 17.192 ( 0.087 0.000 0.123) 0.151 17.975 ( -1.615 0.000 -1.860) 2.463 18.182 ( 7.435 0.000 4.104) 8.492 18.777 ( -9.961 0.000 -6.766) 12.042 18.945 ( 7.924 0.000 4.625) 9.175 19.647 ( -6.602 0.000 -2.646) 7.112 19.934 ( 1.960 0.000 3.174) 3.731 21.121 ( 6.189 0.000 1.204) 6.305 21.165 ( -2.484 0.000 -3.982) 4.693 22.401 ( 3.886 0.000 3.392) 5.158 22.644 ( -4.949 0.000 -2.735) 5.655 24.279 ( -1.471 0.000 4.574) 4.805 24.739 ( -0.778 0.000 1.483) 1.675 24.917 ( 0.370 0.000 -0.118) 0.389 25.208 ( 1.418 0.000 -1.620) 2.153 25.551 ( -0.815 0.000 1.008) 1.296 25.905 ( -1.922 0.000 0.446) 1.973 26.198 ( 0.881 0.000 -0.074) 0.884 26.450 ( -0.517 0.000 1.414) 1.506 26.646 ( 1.715 0.000 -3.073) 3.519 26.681 ( -0.250 0.000 -0.525) 0.581 26.735 ( 1.927 0.000 0.532) 1.999 26.786 ( -1.911 0.000 -2.199) 2.913 27.112 ( 3.216 0.000 3.505) 4.757 27.397 ( 2.240 0.000 -0.316) 2.263 27.415 ( -0.019 0.000 -0.475) 0.475 27.495 ( 1.966 0.000 3.338) 3.874 27.556 ( 0.750 0.000 1.067) 1.304 27.616 ( -4.569 0.000 -4.229) 6.226 27.898 ( -0.862 0.000 -0.169) 0.879 28.058 ( 3.105 0.000 2.671) 4.095 28.902 ( -0.183 0.000 0.465) 0.500 29.003 ( 1.511 0.000 2.102) 2.589 29.105 ( -3.643 0.000 -2.426) 4.377 29.264 ( -1.809 0.000 -3.007) 3.509 29.425 ( -2.948 0.000 -1.871) 3.491 29.970 ( -2.986 0.000 12.842) 13.184 29.974 ( 2.444 0.000 -0.380) 2.473 30.037 ( 2.555 0.000 -8.881) 9.241 30.530 ( -1.182 0.000 -0.061) 1.183 31.214 ( -2.819 0.000 5.487) 6.169 31.262 ( 6.071 0.000 -12.561) 13.951 31.670 ( 4.438 0.000 4.596) 6.389 31.695 ( 0.672 0.000 0.201) 0.702 31.927 ( -3.278 0.000 -4.732) 5.756 33.876 ( -1.768 0.000 0.957) 2.010 34.119 ( -2.984 0.000 4.768) 5.625 ======================= Grid point 5 (4/44) ======================= q-point: ( 0.00 0.14 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 0.000 22.166 0.000) 22.166 0.564 ( 0.000 26.401 0.000) 26.401 0.975 ( 0.000 40.552 0.000) 40.552 1.187 ( 0.000 9.598 0.000) 9.598 1.217 ( 0.000 0.738 0.000) 0.738 1.358 ( 0.000 6.775 0.000) 6.775 1.371 ( 0.000 12.258 0.000) 12.258 1.498 ( 0.000 4.790 0.000) 4.790 1.685 ( 0.000 7.836 0.000) 7.836 1.737 ( 0.000 8.040 0.000) 8.040 1.940 ( 0.000 1.954 0.000) 1.954 2.061 ( 0.000 4.535 0.000) 4.535 2.099 ( 0.000 -1.689 0.000) 1.689 2.132 ( 0.000 -2.991 0.000) 2.991 2.178 ( 0.000 -4.130 0.000) 4.130 2.223 ( 0.000 0.688 0.000) 0.688 2.356 ( 0.000 -2.880 0.000) 2.880 2.451 ( 0.000 -7.839 0.000) 7.839 2.455 ( 0.000 -1.697 0.000) 1.697 2.519 ( 0.000 -2.547 0.000) 2.547 2.578 ( 0.000 2.795 0.000) 2.795 2.593 ( 0.000 7.393 0.000) 7.393 2.772 ( 0.000 -2.496 0.000) 2.496 2.776 ( 0.000 -0.159 0.000) 0.159 2.811 ( 0.000 6.152 0.000) 6.152 2.907 ( 0.000 4.531 0.000) 4.531 2.982 ( 0.000 4.716 0.000) 4.716 3.120 ( 0.000 10.533 0.000) 10.533 3.193 ( 0.000 3.837 0.000) 3.837 3.239 ( 0.000 -0.746 0.000) 0.746 3.254 ( 0.000 5.068 0.000) 5.068 3.469 ( 0.000 12.094 0.000) 12.094 3.483 ( 0.000 6.607 0.000) 6.607 3.628 ( 0.000 8.864 0.000) 8.864 3.742 ( 0.000 3.820 0.000) 3.820 3.774 ( 0.000 3.018 0.000) 3.018 3.804 ( 0.000 8.844 0.000) 8.844 3.913 ( 0.000 -3.467 0.000) 3.467 4.019 ( 0.000 -1.593 0.000) 1.593 4.080 ( 0.000 -0.957 0.000) 0.957 4.187 ( 0.000 7.071 0.000) 7.071 4.296 ( 0.000 4.300 0.000) 4.300 4.332 ( 0.000 6.840 0.000) 6.840 4.392 ( 0.000 -0.379 0.000) 0.379 4.552 ( 0.000 4.141 0.000) 4.141 4.653 ( 0.000 4.391 0.000) 4.391 4.742 ( 0.000 7.871 0.000) 7.871 4.884 ( 0.000 1.835 0.000) 1.835 4.900 ( 0.000 9.267 0.000) 9.267 5.119 ( 0.000 3.018 0.000) 3.018 5.175 ( 0.000 2.268 0.000) 2.268 5.183 ( 0.000 -1.465 0.000) 1.465 5.303 ( 0.000 5.444 0.000) 5.444 5.334 ( 0.000 3.812 0.000) 3.812 5.441 ( 0.000 5.989 0.000) 5.989 5.450 ( 0.000 -1.650 0.000) 1.650 5.539 ( 0.000 2.096 0.000) 2.096 5.583 ( 0.000 11.315 0.000) 11.315 5.818 ( 0.000 -2.190 0.000) 2.190 5.819 ( 0.000 4.534 0.000) 4.534 5.936 ( 0.000 8.510 0.000) 8.510 6.013 ( 0.000 6.568 0.000) 6.568 6.068 ( 0.000 -0.815 0.000) 0.815 6.178 ( 0.000 8.382 0.000) 8.382 6.332 ( 0.000 1.736 0.000) 1.736 6.337 ( 0.000 11.181 0.000) 11.181 6.577 ( 0.000 4.868 0.000) 4.868 6.589 ( 0.000 7.207 0.000) 7.207 6.904 ( 0.000 -3.887 0.000) 3.887 6.994 ( 0.000 -1.214 0.000) 1.214 7.108 ( 0.000 3.305 0.000) 3.305 7.125 ( 0.000 4.426 0.000) 4.426 7.255 ( 0.000 -1.465 0.000) 1.465 7.445 ( 0.000 2.397 0.000) 2.397 7.645 ( 0.000 -0.209 0.000) 0.209 7.733 ( 0.000 0.886 0.000) 0.886 7.821 ( 0.000 -2.691 0.000) 2.691 8.015 ( 0.000 -0.114 0.000) 0.114 8.048 ( 0.000 -6.741 0.000) 6.741 8.461 ( 0.000 3.744 0.000) 3.744 8.699 ( 0.000 0.016 0.000) 0.016 8.888 ( 0.000 -6.052 0.000) 6.052 8.965 ( 0.000 -6.220 0.000) 6.220 9.028 ( 0.000 -8.280 0.000) 8.280 9.041 ( 0.000 -3.131 0.000) 3.131 9.108 ( 0.000 -4.440 0.000) 4.440 9.415 ( 0.000 -6.956 0.000) 6.956 9.459 ( 0.000 -3.983 0.000) 3.983 9.615 ( 0.000 3.736 0.000) 3.736 9.679 ( 0.000 7.631 0.000) 7.631 10.063 ( 0.000 -2.299 0.000) 2.299 10.212 ( 0.000 2.661 0.000) 2.661 10.598 ( 0.000 -0.098 0.000) 0.098 10.676 ( 0.000 -6.086 0.000) 6.086 10.852 ( 0.000 -2.916 0.000) 2.916 10.920 ( 0.000 -4.582 0.000) 4.582 11.087 ( 0.000 -2.292 0.000) 2.292 11.110 ( 0.000 -1.087 0.000) 1.087 11.241 ( 0.000 -2.607 0.000) 2.607 11.263 ( 0.000 -3.911 0.000) 3.911 11.512 ( 0.000 -7.345 0.000) 7.345 11.856 ( 0.000 -1.041 0.000) 1.041 12.078 ( 0.000 -0.178 0.000) 0.178 12.205 ( 0.000 -8.862 0.000) 8.862 12.218 ( 0.000 -12.157 0.000) 12.157 12.340 ( 0.000 -13.186 0.000) 13.186 12.486 ( 0.000 0.863 0.000) 0.863 12.519 ( 0.000 -1.518 0.000) 1.518 12.521 ( 0.000 -1.532 0.000) 1.532 12.769 ( 0.000 1.675 0.000) 1.675 12.788 ( 0.000 -2.763 0.000) 2.763 13.026 ( 0.000 -4.572 0.000) 4.572 13.112 ( 0.000 -6.000 0.000) 6.000 13.193 ( 0.000 -4.325 0.000) 4.325 13.200 ( 0.000 1.169 0.000) 1.169 13.525 ( 0.000 1.961 0.000) 1.961 13.614 ( 0.000 -1.512 0.000) 1.512 13.623 ( 0.000 9.393 0.000) 9.393 13.860 ( 0.000 -1.532 0.000) 1.532 13.943 ( 0.000 0.640 0.000) 0.640 13.959 ( 0.000 4.643 0.000) 4.643 14.116 ( 0.000 -7.188 0.000) 7.188 14.181 ( 0.000 7.608 0.000) 7.608 14.339 ( 0.000 -1.639 0.000) 1.639 14.532 ( 0.000 4.180 0.000) 4.180 14.590 ( 0.000 -5.620 0.000) 5.620 14.878 ( 0.000 -3.253 0.000) 3.253 15.007 ( 0.000 3.573 0.000) 3.573 15.046 ( 0.000 -1.911 0.000) 1.911 15.167 ( 0.000 4.389 0.000) 4.389 15.466 ( 0.000 8.081 0.000) 8.081 15.485 ( 0.000 7.562 0.000) 7.562 17.166 ( 0.000 -1.516 0.000) 1.516 17.215 ( 0.000 -0.226 0.000) 0.226 18.061 ( 0.000 -4.834 0.000) 4.834 18.278 ( 0.000 6.639 0.000) 6.639 18.585 ( 0.000 8.965 0.000) 8.965 19.337 ( 0.000 -1.738 0.000) 1.738 19.680 ( 0.000 -0.680 0.000) 0.680 19.959 ( 0.000 2.240 0.000) 2.240 20.863 ( 0.000 4.850 0.000) 4.850 21.404 ( 0.000 -2.200 0.000) 2.200 22.273 ( 0.000 3.410 0.000) 3.410 22.896 ( 0.000 -1.077 0.000) 1.077 24.167 ( 0.000 3.024 0.000) 3.024 24.768 ( 0.000 -6.217 0.000) 6.217 25.063 ( 0.000 6.554 0.000) 6.554 25.124 ( 0.000 -5.120 0.000) 5.120 25.561 ( 0.000 0.724 0.000) 0.724 25.925 ( 0.000 0.481 0.000) 0.481 25.996 ( 0.000 -1.094 0.000) 1.094 26.380 ( 0.000 -8.466 0.000) 8.466 26.521 ( 0.000 3.104 0.000) 3.104 26.678 ( 0.000 3.737 0.000) 3.737 26.877 ( 0.000 3.725 0.000) 3.725 26.996 ( 0.000 14.411 0.000) 14.411 27.241 ( 0.000 -3.700 0.000) 3.700 27.364 ( 0.000 1.742 0.000) 1.742 27.481 ( 0.000 4.119 0.000) 4.119 27.511 ( 0.000 7.831 0.000) 7.831 27.696 ( 0.000 -5.036 0.000) 5.036 27.944 ( 0.000 0.986 0.000) 0.986 27.964 ( 0.000 4.079 0.000) 4.079 28.554 ( 0.000 3.259 0.000) 3.259 28.890 ( 0.000 -0.802 0.000) 0.802 28.922 ( 0.000 -0.074 0.000) 0.074 29.037 ( 0.000 3.648 0.000) 3.648 29.432 ( 0.000 2.679 0.000) 2.679 29.534 ( 0.000 1.467 0.000) 1.467 29.820 ( 0.000 -0.787 0.000) 0.787 29.834 ( 0.000 -4.629 0.000) 4.629 30.086 ( 0.000 1.292 0.000) 1.292 30.401 ( 0.000 -1.327 0.000) 1.327 30.562 ( 0.000 -1.308 0.000) 1.308 31.215 ( 0.000 0.177 0.000) 0.177 31.641 ( 0.000 -1.488 0.000) 1.488 32.001 ( 0.000 -6.507 0.000) 6.507 32.004 ( 0.000 -2.871 0.000) 2.871 33.778 ( 0.000 -0.612 0.000) 0.612 33.903 ( 0.000 -3.728 0.000) 3.728 ======================= Grid point 6 (5/44) ======================= q-point: ( 0.20 0.14 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -4.858 16.036 5.912) 17.768 0.619 ( 5.905 19.003 3.559) 20.215 1.037 ( 1.922 31.504 4.481) 31.879 1.146 ( -1.138 11.466 -1.900) 11.678 1.257 ( -0.812 2.894 1.162) 3.222 1.315 ( -1.935 9.065 -2.218) 9.531 1.439 ( 1.718 8.575 2.747) 9.167 1.478 ( -4.789 1.256 -2.953) 5.765 1.524 ( -2.509 4.682 -1.913) 5.646 1.749 ( -11.884 2.476 -6.608) 13.821 1.831 ( 1.712 5.865 3.425) 7.004 1.883 ( -8.234 4.029 -5.079) 10.480 1.988 ( -5.923 5.287 -2.262) 8.256 2.065 ( -7.079 0.817 -2.957) 7.716 2.172 ( 2.789 1.387 -0.745) 3.203 2.250 ( -3.769 -4.409 -5.987) 8.336 2.378 ( 0.545 -3.010 -0.925) 3.196 2.424 ( 2.133 -0.946 -10.753) 11.003 2.461 ( -2.896 2.000 2.791) 4.492 2.507 ( -2.954 -5.713 1.369) 6.575 2.552 ( 3.369 -1.095 -1.510) 3.851 2.602 ( -0.514 0.984 -0.091) 1.113 2.680 ( 4.237 8.319 -0.783) 9.369 2.761 ( -3.663 -3.141 1.733) 5.127 2.831 ( 1.413 6.401 0.964) 6.625 2.933 ( -0.162 1.262 0.712) 1.458 3.072 ( 4.864 3.871 0.282) 6.222 3.089 ( -3.729 5.126 2.838) 6.945 3.201 ( 0.175 1.714 -1.233) 2.118 3.218 ( 0.018 4.615 -1.278) 4.789 3.292 ( 2.355 6.778 -2.561) 7.619 3.428 ( -1.262 6.443 1.417) 6.717 3.497 ( -4.126 8.277 -2.951) 9.708 3.657 ( -5.579 3.920 -0.431) 6.832 3.690 ( 0.104 3.772 -3.684) 5.274 3.763 ( 4.750 3.317 -0.682) 5.833 3.787 ( 1.659 3.573 -0.100) 3.941 3.860 ( -0.901 6.213 4.372) 7.650 4.051 ( -1.769 -3.170 -1.341) 3.870 4.124 ( -0.411 4.570 -4.912) 6.722 4.161 ( -0.108 0.660 -0.083) 0.674 4.282 ( -0.496 6.069 -1.007) 6.172 4.424 ( 1.999 -0.476 3.166) 3.775 4.470 ( 6.856 4.468 8.124) 11.531 4.586 ( 2.420 5.846 2.083) 6.661 4.630 ( -0.448 2.057 -0.756) 2.237 4.782 ( -0.228 9.535 6.557) 11.574 4.888 ( -3.127 8.342 -2.565) 9.270 4.936 ( 2.557 0.940 0.103) 2.726 4.981 ( -4.329 6.325 -2.563) 8.082 5.130 ( -0.457 8.406 -2.255) 8.715 5.212 ( -3.416 1.462 1.089) 3.872 5.271 ( -2.640 0.884 -3.387) 4.385 5.313 ( 1.093 5.426 1.896) 5.851 5.391 ( -4.516 4.856 4.257) 7.880 5.450 ( 2.210 4.823 -2.521) 5.874 5.513 ( -3.465 5.552 1.879) 6.809 5.635 ( -2.594 10.113 1.870) 10.607 5.728 ( 1.723 9.033 -7.467) 11.845 5.775 ( -2.091 -0.268 -3.578) 4.153 5.891 ( -2.352 4.760 1.732) 5.585 5.993 ( -4.878 6.243 4.578) 9.150 6.100 ( 1.992 11.635 -6.607) 13.528 6.155 ( 2.233 6.107 1.918) 6.779 6.310 ( 2.405 5.166 -2.845) 6.369 6.419 ( 8.859 4.883 -3.250) 10.625 6.588 ( -3.457 10.033 -4.746) 11.625 6.644 ( 4.995 4.354 -2.968) 7.261 6.703 ( 3.041 5.186 0.255) 6.017 6.945 ( -6.829 1.501 -4.379) 8.250 7.091 ( 2.783 0.629 4.886) 5.658 7.176 ( -3.794 1.162 -7.114) 8.146 7.213 ( -1.862 1.013 1.119) 2.397 7.254 ( -6.863 -0.698 2.343) 7.286 7.613 ( -1.081 0.810 1.307) 1.880 7.786 ( -6.120 -0.585 1.124) 6.250 7.851 ( 0.778 -0.437 5.341) 5.415 7.998 ( -2.509 4.150 1.194) 4.995 8.129 ( 1.697 -2.120 2.986) 4.036 8.423 ( -0.899 -0.233 3.090) 3.227 8.749 ( 3.422 -2.568 -4.301) 6.066 8.788 ( -4.371 -6.039 -8.699) 11.457 8.893 ( -0.793 -2.825 -3.461) 4.537 9.033 ( -0.860 -7.096 0.325) 7.155 9.075 ( -0.527 -3.209 4.472) 5.529 9.133 ( 4.524 -3.060 3.999) 6.769 9.335 ( -11.859 5.315 -5.416) 14.079 9.416 ( 3.351 -5.235 4.226) 7.516 9.685 ( 8.589 -4.941 5.775) 11.469 9.841 ( 4.946 1.122 2.984) 5.884 10.082 ( 2.388 0.488 -0.661) 2.526 10.190 ( 1.090 -1.492 -1.501) 2.381 10.593 ( -0.106 4.894 -2.815) 5.647 10.704 ( 0.192 -7.253 2.374) 7.634 10.789 ( 6.039 0.396 2.311) 6.478 10.807 ( -0.623 1.335 -4.292) 4.538 10.967 ( -1.389 -4.710 -4.747) 6.830 11.216 ( -0.937 -1.968 8.274) 8.556 11.253 ( -1.597 -8.477 -3.175) 9.192 11.464 ( 3.545 -5.658 8.368) 10.705 11.547 ( -1.398 -10.252 5.676) 11.801 11.786 ( -5.935 -1.202 1.551) 6.251 11.952 ( -14.381 -3.175 1.096) 14.768 12.107 ( -4.450 1.256 -8.278) 9.482 12.245 ( -0.216 -6.334 -1.247) 6.459 12.403 ( 4.979 -11.746 -0.301) 12.762 12.425 ( -1.575 -4.308 -0.177) 4.590 12.537 ( 3.591 -3.219 -1.617) 5.086 12.674 ( 9.631 -6.340 2.987) 11.911 12.773 ( 0.897 -3.621 4.639) 5.953 12.877 ( 0.351 -3.825 -2.336) 4.496 12.917 ( -3.637 -0.784 -4.593) 5.911 13.166 ( -0.273 -4.575 -2.648) 5.293 13.258 ( 7.807 -0.699 5.279) 9.450 13.367 ( 0.197 -6.836 6.549) 9.469 13.549 ( -1.571 1.981 -2.659) 3.669 13.584 ( 2.307 0.059 5.504) 5.968 13.671 ( 4.793 -1.246 -5.227) 7.201 13.803 ( -0.623 -6.880 -7.993) 10.565 13.912 ( -2.911 4.098 4.349) 6.647 13.958 ( 1.756 4.633 -3.335) 5.973 14.085 ( -1.052 -7.378 -1.549) 7.612 14.265 ( -0.176 4.749 7.963) 9.273 14.391 ( 6.157 -3.485 0.853) 7.126 14.466 ( 0.792 -2.843 -8.774) 9.257 14.728 ( 9.226 1.640 0.131) 9.371 14.856 ( -1.110 0.725 1.549) 2.039 14.961 ( -2.666 3.745 -2.062) 5.038 15.072 ( 1.607 -2.046 0.474) 2.644 15.141 ( -2.398 6.608 1.193) 7.130 15.445 ( -3.722 4.839 2.275) 6.515 15.513 ( 3.054 7.437 -1.421) 8.164 17.151 ( -2.342 -2.062 -0.476) 3.156 17.190 ( -0.795 0.244 -1.045) 1.335 18.091 ( 2.911 2.021 -0.643) 3.602 18.180 ( -1.435 7.730 -4.134) 8.883 18.745 ( 9.409 6.815 6.459) 13.293 19.104 ( -12.436 0.499 -8.551) 15.100 19.826 ( 6.071 0.318 6.080) 8.598 19.863 ( -7.214 2.848 -3.672) 8.581 20.961 ( 7.868 2.454 1.925) 8.464 21.304 ( -4.888 -0.757 -6.159) 7.899 22.312 ( 2.812 4.091 2.250) 5.451 22.831 ( -4.151 1.797 -2.192) 5.027 24.214 ( -0.465 0.289 7.331) 7.351 24.670 ( -4.189 -5.323 -3.574) 7.658 25.042 ( -1.494 7.345 2.774) 7.992 25.205 ( 2.999 -1.253 1.650) 3.645 25.566 ( -0.585 1.122 1.537) 1.991 25.933 ( -4.651 -2.220 6.385) 8.205 26.011 ( 6.346 -5.056 -7.462) 11.024 26.346 ( -1.903 -7.707 -1.109) 8.016 26.559 ( 3.578 1.266 -0.465) 3.824 26.714 ( 3.395 4.009 0.537) 5.281 26.843 ( -2.764 6.980 -0.424) 7.519 26.995 ( -0.523 4.312 1.003) 4.458 27.271 ( -5.797 7.028 -2.089) 9.347 27.346 ( 4.549 3.382 3.476) 6.650 27.486 ( 0.553 4.714 -1.264) 4.912 27.548 ( 0.096 4.849 3.534) 6.001 27.663 ( -1.247 1.690 -4.609) 5.065 27.757 ( -11.799 13.510 -9.119) 20.122 27.956 ( -2.167 4.356 -0.159) 4.868 28.053 ( -1.251 10.190 -0.621) 10.285 28.894 ( -0.248 -0.699 0.537) 0.916 28.945 ( 1.141 -0.026 1.720) 2.065 29.248 ( -0.360 3.121 -0.394) 3.166 29.393 ( -3.190 3.433 -4.451) 6.463 29.514 ( -2.700 -2.684 0.895) 3.911 29.854 ( -2.720 -4.072 11.045) 12.081 29.890 ( 4.478 -1.248 -0.028) 4.649 30.066 ( 0.711 0.608 -3.574) 3.694 30.548 ( -1.216 -1.073 -0.243) 1.639 30.724 ( 20.191 -22.257 -2.263) 30.136 31.204 ( -1.544 -0.626 0.775) 1.838 31.618 ( -3.129 -1.578 1.296) 3.737 31.878 ( 1.099 4.817 -9.772) 10.950 31.994 ( -1.090 -2.844 -2.222) 3.770 33.865 ( -1.895 -3.614 1.804) 4.462 33.963 ( 0.084 -8.496 12.965) 15.501 ======================= Grid point 7 (6/44) ======================= q-point: ( 0.40 0.14 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 3.961 6.710 4.337) 8.918 0.834 ( 6.681 5.442 9.861) 13.096 1.033 ( -3.912 9.167 0.107) 9.968 1.142 ( -4.459 0.493 -5.603) 7.177 1.173 ( 0.435 15.187 1.698) 15.288 1.248 ( -1.588 5.609 -3.857) 6.990 1.312 ( -3.312 8.366 -3.617) 9.697 1.415 ( -2.479 4.265 0.443) 4.953 1.568 ( 1.099 6.493 -2.112) 6.916 1.596 ( -2.613 3.237 2.148) 4.682 1.748 ( -2.996 1.919 -1.877) 4.022 1.856 ( -3.328 1.994 -1.360) 4.111 1.867 ( -3.106 4.731 0.214) 5.664 1.912 ( -0.944 6.452 -4.011) 7.656 2.115 ( -2.329 -2.921 -3.898) 5.399 2.185 ( -1.320 0.466 0.462) 1.474 2.314 ( -0.491 2.991 -3.962) 4.988 2.407 ( 1.896 3.297 1.632) 4.138 2.461 ( -0.500 2.267 -0.827) 2.464 2.509 ( 1.570 -3.677 2.027) 4.483 2.583 ( -0.786 -6.032 0.308) 6.091 2.605 ( 1.961 2.929 -4.407) 5.643 2.641 ( -5.988 -1.325 0.973) 6.209 2.801 ( 4.550 9.175 -1.050) 10.295 2.890 ( -0.934 2.620 0.009) 2.782 2.936 ( 4.645 8.644 3.573) 10.444 3.043 ( -2.119 5.270 1.085) 5.783 3.136 ( -1.282 0.244 -0.681) 1.472 3.157 ( -2.623 9.248 -0.773) 9.644 3.211 ( 1.635 0.352 -0.362) 1.711 3.339 ( 1.837 2.684 -3.033) 4.448 3.409 ( 1.947 7.462 0.138) 7.713 3.424 ( -1.627 5.092 4.335) 6.882 3.567 ( -4.889 -3.189 -0.280) 5.843 3.691 ( 1.862 2.703 -0.997) 3.430 3.777 ( 1.005 8.141 -0.860) 8.248 3.845 ( 0.127 7.358 -0.786) 7.401 3.915 ( 2.950 2.737 -0.089) 4.024 3.970 ( -2.181 3.408 -2.040) 4.532 4.027 ( -4.373 1.003 -2.821) 5.299 4.085 ( -1.612 2.791 -2.434) 4.039 4.344 ( 3.060 1.027 3.116) 4.486 4.422 ( -2.194 0.466 -1.845) 2.904 4.558 ( -0.957 11.338 1.366) 11.460 4.671 ( 2.478 4.221 3.379) 5.947 4.698 ( 3.804 -1.912 1.767) 4.609 4.740 ( -3.635 9.753 -1.952) 10.590 4.840 ( -2.264 4.100 3.485) 5.838 4.955 ( 1.990 6.453 0.188) 6.756 4.999 ( 1.749 7.895 0.136) 8.088 5.118 ( -0.235 4.884 -1.772) 5.201 5.169 ( 0.247 4.700 -1.158) 4.846 5.224 ( -0.509 2.100 0.836) 2.317 5.310 ( -3.623 7.609 -0.705) 8.457 5.394 ( 1.914 5.923 1.821) 6.485 5.473 ( -2.850 9.900 1.991) 10.493 5.484 ( 3.941 7.718 0.129) 8.667 5.614 ( -3.483 5.509 -1.356) 6.658 5.693 ( -1.269 3.675 -4.053) 5.616 5.756 ( 4.151 2.936 2.310) 5.584 5.887 ( -2.034 4.427 -3.278) 5.872 5.938 ( -1.991 8.285 4.805) 9.783 6.012 ( -0.987 1.089 -1.807) 2.329 6.265 ( 1.990 11.668 0.228) 11.839 6.370 ( 7.416 2.512 -6.256) 10.023 6.455 ( -4.014 3.791 4.354) 7.032 6.564 ( 6.535 2.658 -1.844) 7.292 6.700 ( -0.136 2.953 0.486) 2.996 6.788 ( -3.518 -0.678 -3.533) 5.032 6.841 ( 3.970 3.741 0.107) 5.456 6.888 ( -8.951 1.118 -1.858) 9.210 7.197 ( 1.375 -0.039 0.231) 1.395 7.287 ( 3.226 2.660 1.527) 4.452 7.314 ( 7.340 6.649 7.775) 12.591 7.582 ( -7.582 6.027 -2.374) 9.973 7.651 ( -4.793 -2.800 -0.650) 5.589 7.886 ( 1.036 0.580 0.636) 1.347 7.972 ( -1.273 2.832 0.330) 3.123 8.063 ( -5.226 8.231 0.146) 9.751 8.540 ( 2.483 -6.985 5.332) 9.132 8.646 ( 1.830 -4.199 -3.321) 5.657 8.735 ( -2.016 -4.516 -1.343) 5.125 8.791 ( -3.964 -2.905 -9.383) 10.592 9.042 ( 1.095 -5.060 3.824) 6.436 9.111 ( -1.364 -3.376 2.235) 4.272 9.196 ( -0.091 0.529 -1.932) 2.005 9.259 ( 2.854 -1.806 2.134) 3.995 9.556 ( 5.294 -7.355 3.472) 9.704 9.808 ( 1.659 0.243 1.833) 2.484 9.874 ( -1.838 -4.062 -1.410) 4.676 10.090 ( 0.101 0.182 0.307) 0.371 10.239 ( 2.801 -3.231 0.870) 4.364 10.610 ( 2.500 5.203 -1.415) 5.943 10.715 ( -0.791 -2.933 3.631) 4.734 10.739 ( 0.591 -2.921 -2.671) 4.002 10.876 ( -1.225 -6.485 -5.405) 8.531 11.070 ( -2.014 -2.307 -3.372) 4.555 11.144 ( 12.077 -6.453 8.960) 16.364 11.334 ( -0.096 -1.911 6.308) 6.592 11.483 ( -6.528 -9.061 -1.261) 11.239 11.607 ( 3.921 -13.049 -0.394) 13.631 11.698 ( -7.128 -4.994 2.724) 9.120 11.798 ( -3.540 0.956 2.315) 4.337 11.958 ( -3.080 4.438 -4.228) 6.860 12.160 ( -3.270 -4.644 -1.612) 5.904 12.407 ( 3.821 -6.140 -1.566) 7.400 12.480 ( -1.778 -3.337 -0.335) 3.796 12.591 ( 2.407 -0.700 0.037) 2.507 12.722 ( -3.174 -4.638 -2.262) 6.058 12.836 ( 7.262 -1.890 -2.927) 8.054 12.866 ( -0.060 -10.246 6.446) 12.105 12.915 ( 1.076 -5.220 -1.462) 5.527 13.103 ( -2.337 -2.039 -1.571) 3.477 13.323 ( -1.436 6.475 -2.210) 6.990 13.389 ( -3.067 -2.919 0.106) 4.236 13.545 ( 3.543 -4.166 2.320) 5.941 13.609 ( -3.015 -0.246 1.894) 3.569 13.662 ( 0.410 -1.261 1.490) 1.995 13.824 ( 5.683 -11.099 -5.467) 13.615 13.903 ( -2.010 6.646 2.893) 7.521 13.955 ( 1.477 3.990 -1.745) 4.598 14.046 ( -2.812 -5.576 0.847) 6.302 14.326 ( -2.444 3.586 8.427) 9.479 14.378 ( 2.313 -0.233 -10.615) 10.867 14.523 ( 4.497 -7.575 1.429) 8.924 14.794 ( 0.477 -2.303 -0.554) 2.417 14.900 ( -1.934 3.393 -0.230) 3.912 14.945 ( 6.056 7.062 -0.254) 9.307 15.089 ( -0.280 -1.034 0.671) 1.264 15.116 ( -0.993 6.956 -0.149) 7.028 15.398 ( -3.069 3.308 1.538) 4.768 15.543 ( 1.407 6.862 -0.729) 7.043 17.099 ( -1.683 -1.445 -0.606) 2.300 17.174 ( -0.336 -0.980 -0.298) 1.077 18.051 ( -1.188 6.056 -1.962) 6.476 18.304 ( 9.019 8.079 3.724) 12.668 18.723 ( -10.454 -2.736 -6.151) 12.433 19.044 ( 6.255 7.373 3.734) 10.365 19.685 ( -6.152 3.494 -3.185) 7.759 19.956 ( 2.341 1.498 2.919) 4.031 21.067 ( 1.310 -2.867 -1.106) 3.340 21.222 ( 1.283 3.235 -0.665) 3.543 22.347 ( -0.624 -3.039 0.175) 3.108 22.773 ( -0.620 8.949 -0.176) 8.972 24.270 ( -0.158 -0.191 3.568) 3.576 24.594 ( -1.280 -8.754 -1.762) 9.021 25.052 ( -0.237 7.831 1.247) 7.933 25.250 ( 1.011 2.351 0.398) 2.591 25.569 ( -0.425 1.722 0.804) 1.948 25.912 ( -2.069 0.402 2.041) 2.934 26.035 ( 2.385 -10.817 -2.883) 11.445 26.314 ( -0.627 -8.254 -0.546) 8.296 26.614 ( 2.273 0.420 0.043) 2.311 26.772 ( 0.477 5.749 0.301) 5.776 26.803 ( -0.315 6.546 0.630) 6.583 26.983 ( -0.450 3.476 -1.341) 3.752 27.152 ( -3.248 8.737 -0.262) 9.325 27.450 ( 2.012 5.263 0.794) 5.690 27.479 ( -0.089 1.987 -0.729) 2.118 27.530 ( -0.890 2.760 2.425) 3.780 27.624 ( -1.183 4.546 -2.486) 5.314 27.688 ( 2.594 12.148 -0.063) 12.423 27.912 ( -1.728 1.798 -0.282) 2.510 28.100 ( 2.043 3.528 1.262) 4.268 28.896 ( -0.165 -0.664 0.415) 0.800 28.982 ( 0.698 -1.134 1.076) 1.712 29.173 ( -3.272 5.190 -1.406) 6.295 29.316 ( -0.895 3.817 -2.333) 4.562 29.455 ( -1.982 2.538 -1.269) 3.461 29.938 ( -1.475 -3.731 9.792) 10.582 29.947 ( 2.180 -2.219 -0.648) 3.177 30.033 ( 1.411 0.091 -6.279) 6.436 30.522 ( -1.046 -0.710 -0.083) 1.267 30.926 ( 6.393 -21.996 -1.954) 22.989 31.187 ( -0.895 -2.195 0.470) 2.416 31.585 ( -1.646 -2.822 1.148) 3.463 31.863 ( 2.271 1.265 -1.364) 2.936 31.939 ( -1.439 3.267 -2.771) 4.519 33.839 ( -1.554 -3.267 0.690) 3.683 34.042 ( -0.690 -6.248 4.115) 7.513 ======================= Grid point 10 (7/44) ======================= q-point: ( 0.00 0.29 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.000 19.072 0.000) 19.072 1.053 ( 0.000 20.098 0.000) 20.098 1.215 ( 0.000 0.481 0.000) 0.481 1.349 ( 0.000 5.680 0.000) 5.680 1.456 ( 0.000 3.663 0.000) 3.663 1.534 ( 0.000 15.064 0.000) 15.064 1.565 ( 0.000 0.487 0.000) 0.487 1.678 ( 0.000 13.356 0.000) 13.356 1.835 ( 0.000 1.788 0.000) 1.788 1.846 ( 0.000 5.802 0.000) 5.802 2.005 ( 0.000 -4.682 0.000) 4.682 2.055 ( 0.000 -0.852 0.000) 0.852 2.082 ( 0.000 -2.757 0.000) 2.757 2.098 ( 0.000 6.540 0.000) 6.540 2.166 ( 0.000 3.164 0.000) 3.164 2.224 ( 0.000 -1.454 0.000) 1.454 2.305 ( 0.000 0.393 0.000) 0.393 2.395 ( 0.000 0.364 0.000) 0.364 2.438 ( 0.000 3.561 0.000) 3.561 2.515 ( 0.000 -6.083 0.000) 6.083 2.599 ( 0.000 5.292 0.000) 5.292 2.677 ( 0.000 -3.814 0.000) 3.814 2.790 ( 0.000 7.869 0.000) 7.869 2.860 ( 0.000 6.328 0.000) 6.328 2.861 ( 0.000 3.592 0.000) 3.592 3.083 ( 0.000 0.916 0.000) 0.916 3.117 ( 0.000 -1.296 0.000) 1.296 3.138 ( 0.000 12.382 0.000) 12.382 3.268 ( 0.000 2.507 0.000) 2.507 3.373 ( 0.000 7.636 0.000) 7.636 3.387 ( 0.000 5.998 0.000) 5.998 3.573 ( 0.000 2.200 0.000) 2.200 3.686 ( 0.000 -2.098 0.000) 2.098 3.703 ( 0.000 9.228 0.000) 9.228 3.838 ( 0.000 -1.209 0.000) 1.209 3.857 ( 0.000 3.738 0.000) 3.738 3.859 ( 0.000 4.569 0.000) 4.569 3.935 ( 0.000 -4.064 0.000) 4.064 3.972 ( 0.000 6.907 0.000) 6.907 4.115 ( 0.000 1.843 0.000) 1.843 4.319 ( 0.000 -0.752 0.000) 0.752 4.371 ( 0.000 8.024 0.000) 8.024 4.464 ( 0.000 2.705 0.000) 2.705 4.493 ( 0.000 8.788 0.000) 8.788 4.661 ( 0.000 6.135 0.000) 6.135 4.760 ( 0.000 5.419 0.000) 5.419 4.898 ( 0.000 6.518 0.000) 6.518 4.911 ( 0.000 2.987 0.000) 2.987 5.044 ( 0.000 -1.255 0.000) 1.255 5.170 ( 0.000 0.197 0.000) 0.197 5.197 ( 0.000 8.422 0.000) 8.422 5.227 ( 0.000 1.996 0.000) 1.996 5.368 ( 0.000 1.490 0.000) 1.490 5.468 ( 0.000 8.336 0.000) 8.336 5.519 ( 0.000 3.256 0.000) 3.256 5.534 ( 0.000 4.516 0.000) 4.516 5.648 ( 0.000 12.365 0.000) 12.365 5.733 ( 0.000 -2.662 0.000) 2.662 5.922 ( 0.000 1.028 0.000) 1.028 5.958 ( 0.000 17.440 0.000) 17.440 6.016 ( 0.000 -0.503 0.000) 0.503 6.044 ( 0.000 5.085 0.000) 5.085 6.268 ( 0.000 12.883 0.000) 12.883 6.374 ( 0.000 4.157 0.000) 4.157 6.416 ( 0.000 4.877 0.000) 4.877 6.491 ( 0.000 8.238 0.000) 8.238 6.773 ( 0.000 14.899 0.000) 14.899 6.816 ( 0.000 4.711 0.000) 4.711 6.904 ( 0.000 10.170 0.000) 10.170 6.989 ( 0.000 1.879 0.000) 1.879 7.171 ( 0.000 -4.030 0.000) 4.030 7.194 ( 0.000 4.830 0.000) 4.830 7.315 ( 0.000 12.344 0.000) 12.344 7.419 ( 0.000 -6.828 0.000) 6.828 7.629 ( 0.000 -1.699 0.000) 1.699 7.757 ( 0.000 1.690 0.000) 1.690 7.770 ( 0.000 -1.304 0.000) 1.304 7.903 ( 0.000 0.138 0.000) 0.138 8.070 ( 0.000 -1.892 0.000) 1.892 8.424 ( 0.000 -7.102 0.000) 7.102 8.600 ( 0.000 -10.845 0.000) 10.845 8.744 ( 0.000 -6.349 0.000) 6.349 8.847 ( 0.000 -0.559 0.000) 0.559 8.866 ( 0.000 -6.364 0.000) 6.364 8.938 ( 0.000 -8.816 0.000) 8.816 9.078 ( 0.000 0.238 0.000) 0.238 9.208 ( 0.000 -12.943 0.000) 12.943 9.370 ( 0.000 -3.179 0.000) 3.179 9.744 ( 0.000 8.785 0.000) 8.785 9.814 ( 0.000 3.815 0.000) 3.815 9.999 ( 0.000 -3.321 0.000) 3.321 10.264 ( 0.000 2.771 0.000) 2.771 10.532 ( 0.000 -4.777 0.000) 4.777 10.624 ( 0.000 1.102 0.000) 1.102 10.759 ( 0.000 -9.617 0.000) 9.617 10.806 ( 0.000 -1.831 0.000) 1.831 10.967 ( 0.000 -10.137 0.000) 10.137 11.141 ( 0.000 -4.688 0.000) 4.688 11.155 ( 0.000 4.493 0.000) 4.493 11.263 ( 0.000 3.470 0.000) 3.470 11.351 ( 0.000 -5.277 0.000) 5.277 11.823 ( 0.000 -1.972 0.000) 1.972 11.850 ( 0.000 -15.942 0.000) 15.942 12.036 ( 0.000 -5.474 0.000) 5.474 12.084 ( 0.000 -9.237 0.000) 9.237 12.149 ( 0.000 -2.451 0.000) 2.451 12.424 ( 0.000 -1.364 0.000) 1.364 12.424 ( 0.000 -6.998 0.000) 6.998 12.590 ( 0.000 2.761 0.000) 2.761 12.755 ( 0.000 -0.417 0.000) 0.417 12.796 ( 0.000 0.347 0.000) 0.347 12.946 ( 0.000 -2.328 0.000) 2.328 12.983 ( 0.000 -5.890 0.000) 5.890 13.066 ( 0.000 -6.522 0.000) 6.522 13.194 ( 0.000 -1.939 0.000) 1.939 13.567 ( 0.000 -2.153 0.000) 2.153 13.579 ( 0.000 2.733 0.000) 2.733 13.778 ( 0.000 -5.136 0.000) 5.136 13.797 ( 0.000 6.596 0.000) 6.596 13.926 ( 0.000 -8.035 0.000) 8.035 13.976 ( 0.000 0.228 0.000) 0.228 14.059 ( 0.000 5.346 0.000) 5.346 14.343 ( 0.000 6.384 0.000) 6.384 14.377 ( 0.000 4.708 0.000) 4.708 14.492 ( 0.000 -3.086 0.000) 3.086 14.624 ( 0.000 3.872 0.000) 3.872 14.801 ( 0.000 -4.049 0.000) 4.049 15.023 ( 0.000 -0.725 0.000) 0.725 15.096 ( 0.000 4.029 0.000) 4.029 15.274 ( 0.000 5.320 0.000) 5.320 15.601 ( 0.000 4.652 0.000) 4.652 15.611 ( 0.000 4.075 0.000) 4.075 17.129 ( 0.000 -1.779 0.000) 1.779 17.207 ( 0.000 -0.491 0.000) 0.491 17.988 ( 0.000 -2.093 0.000) 2.093 18.433 ( 0.000 7.379 0.000) 7.379 18.763 ( 0.000 7.692 0.000) 7.692 19.289 ( 0.000 -2.803 0.000) 2.803 19.664 ( 0.000 -0.809 0.000) 0.809 20.012 ( 0.000 2.490 0.000) 2.490 20.988 ( 0.000 6.835 0.000) 6.835 21.341 ( 0.000 -3.859 0.000) 3.859 22.361 ( 0.000 4.704 0.000) 4.704 22.862 ( 0.000 -2.077 0.000) 2.077 24.243 ( 0.000 3.898 0.000) 3.898 24.667 ( 0.000 -3.528 0.000) 3.528 25.010 ( 0.000 -5.227 0.000) 5.227 25.174 ( 0.000 4.181 0.000) 4.181 25.601 ( 0.000 2.899 0.000) 2.899 25.904 ( 0.000 -2.396 0.000) 2.396 25.964 ( 0.000 -1.824 0.000) 1.824 26.255 ( 0.000 -3.746 0.000) 3.746 26.588 ( 0.000 3.058 0.000) 3.058 26.786 ( 0.000 5.497 0.000) 5.497 26.943 ( 0.000 2.441 0.000) 2.441 27.185 ( 0.000 -1.575 0.000) 1.575 27.241 ( 0.000 8.152 0.000) 8.152 27.415 ( 0.000 2.700 0.000) 2.700 27.555 ( 0.000 3.649 0.000) 3.649 27.635 ( 0.000 -0.309 0.000) 0.309 27.716 ( 0.000 10.009 0.000) 10.009 27.947 ( 0.000 -0.369 0.000) 0.369 28.064 ( 0.000 5.188 0.000) 5.188 28.631 ( 0.000 3.702 0.000) 3.702 28.874 ( 0.000 -0.622 0.000) 0.622 28.908 ( 0.000 -1.111 0.000) 1.111 29.138 ( 0.000 5.464 0.000) 5.464 29.482 ( 0.000 1.672 0.000) 1.672 29.569 ( 0.000 1.733 0.000) 1.733 29.726 ( 0.000 -5.271 0.000) 5.271 29.806 ( 0.000 -0.573 0.000) 0.573 30.118 ( 0.000 1.670 0.000) 1.670 30.363 ( 0.000 -2.191 0.000) 2.191 30.533 ( 0.000 -1.281 0.000) 1.281 31.217 ( 0.000 -0.022 0.000) 0.022 31.612 ( 0.000 -1.018 0.000) 1.018 31.841 ( 0.000 -8.011 0.000) 8.011 31.926 ( 0.000 -4.297 0.000) 4.297 33.760 ( 0.000 -1.038 0.000) 1.038 33.814 ( 0.000 -4.237 0.000) 4.237 ======================= Grid point 11 (8/44) ======================= q-point: ( 0.20 0.29 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -10.160 17.857 -0.078) 20.545 1.017 ( 0.555 17.183 -5.557) 18.068 1.237 ( -2.895 2.272 -0.276) 3.690 1.348 ( -2.436 5.102 1.039) 5.748 1.420 ( -0.941 4.202 -0.520) 4.337 1.461 ( -7.939 0.224 -2.074) 8.208 1.525 ( -2.443 6.787 0.669) 7.245 1.656 ( -5.451 7.171 -6.010) 10.829 1.669 ( -5.667 9.698 -4.989) 12.290 1.793 ( -8.051 0.959 -1.062) 8.177 1.866 ( -3.137 0.257 -0.153) 3.151 2.019 ( -3.674 3.177 -0.659) 4.902 2.045 ( -1.324 -0.274 -2.734) 3.050 2.090 ( -6.299 2.094 -1.050) 6.720 2.211 ( 4.701 2.489 -2.990) 6.102 2.230 ( -1.967 4.413 -3.511) 5.973 2.332 ( 3.821 -0.576 -2.295) 4.495 2.407 ( -1.552 -1.107 5.095) 5.440 2.425 ( 0.602 -1.668 -3.015) 3.498 2.480 ( -0.026 2.091 1.478) 2.561 2.606 ( 0.457 4.767 1.561) 5.037 2.667 ( 0.073 -1.834 -3.839) 4.255 2.726 ( -3.612 3.948 -2.657) 5.974 2.879 ( 0.096 6.971 4.252) 8.166 2.917 ( 5.638 5.335 2.325) 8.103 3.009 ( -2.173 2.412 0.134) 3.249 3.110 ( 0.691 -0.186 -0.910) 1.157 3.187 ( 1.407 3.461 -1.009) 3.870 3.285 ( -0.496 6.803 -1.060) 6.903 3.317 ( 0.338 6.784 2.421) 7.211 3.420 ( -3.125 2.902 -1.990) 4.706 3.533 ( -3.869 5.232 0.010) 6.507 3.603 ( -9.535 1.287 -4.087) 10.453 3.736 ( -1.229 4.156 -0.427) 4.355 3.785 ( 7.581 0.480 3.320) 8.290 3.814 ( 0.111 5.813 -4.856) 7.575 3.906 ( 2.048 3.827 -1.430) 4.570 3.964 ( -0.985 -3.605 2.392) 4.437 3.984 ( -0.032 5.026 3.733) 6.261 4.159 ( 1.368 0.996 -1.414) 2.205 4.282 ( -2.321 6.367 -5.185) 8.533 4.402 ( 3.874 0.077 3.969) 5.546 4.446 ( -1.659 7.120 -1.765) 7.521 4.592 ( 3.531 5.632 2.516) 7.108 4.695 ( 1.920 6.208 2.849) 7.096 4.764 ( 3.329 8.003 0.457) 8.680 4.871 ( -4.086 2.175 1.392) 4.833 4.969 ( 4.052 3.738 0.209) 5.517 5.050 ( 0.299 -0.754 0.583) 0.999 5.091 ( -4.600 7.879 -1.526) 9.250 5.194 ( 2.099 0.930 -2.338) 3.277 5.253 ( -0.941 -1.325 0.738) 1.785 5.310 ( -2.581 6.102 -3.586) 7.534 5.440 ( -0.577 5.121 1.044) 5.258 5.489 ( -3.183 3.982 2.186) 5.547 5.570 ( 0.524 6.422 3.103) 7.151 5.675 ( 2.149 7.994 3.283) 8.905 5.749 ( 2.123 -0.490 -2.623) 3.410 5.814 ( -7.693 3.999 -3.348) 9.294 5.891 ( -3.737 1.815 -1.332) 4.363 6.022 ( 4.815 14.152 0.449) 14.956 6.203 ( 1.727 15.270 6.970) 16.874 6.253 ( -2.688 3.211 -10.387) 11.199 6.346 ( 4.664 6.583 2.663) 8.496 6.466 ( 4.352 8.712 -2.964) 10.180 6.498 ( 0.373 7.114 1.909) 7.375 6.707 ( -6.517 3.278 0.663) 7.325 6.784 ( -1.971 2.398 -2.438) 3.947 6.942 ( 6.886 15.813 -1.603) 17.322 6.981 ( -8.598 3.152 -2.517) 9.497 7.082 ( -0.574 1.089 -1.357) 1.832 7.211 ( -2.238 2.757 -2.101) 4.126 7.292 ( 4.034 3.695 -2.174) 5.886 7.346 ( -0.095 11.689 5.462) 12.903 7.626 ( -1.198 1.414 -0.823) 2.028 7.789 ( 0.498 -0.180 0.461) 0.702 7.843 ( 1.686 -0.140 3.540) 3.923 7.995 ( 1.114 -2.114 4.492) 5.088 8.100 ( 4.742 -3.220 4.366) 7.205 8.356 ( -5.759 -6.824 0.417) 8.939 8.595 ( 0.969 -9.352 -8.243) 12.504 8.715 ( 0.035 -2.988 -2.707) 4.032 8.812 ( -1.317 -9.264 0.877) 9.398 8.867 ( 0.115 -3.164 -4.055) 5.145 8.974 ( 3.922 -5.324 1.896) 6.880 9.127 ( 3.926 0.695 2.675) 4.801 9.286 ( 3.205 -6.964 4.610) 8.946 9.419 ( -8.867 -1.354 -1.245) 9.056 9.566 ( 2.008 -0.411 2.223) 3.024 9.881 ( 0.447 1.577 2.790) 3.235 10.049 ( 1.739 -2.737 -0.663) 3.309 10.171 ( -4.140 -0.301 -2.309) 4.750 10.557 ( -0.495 -5.760 1.738) 6.037 10.641 ( 2.225 -0.785 -1.024) 2.572 10.759 ( 2.352 -5.641 -3.979) 7.293 10.811 ( 3.253 0.983 2.254) 4.078 10.940 ( -1.028 1.363 -5.167) 5.441 11.064 ( -1.907 -7.792 -2.613) 8.437 11.185 ( -1.725 -1.314 8.362) 8.639 11.320 ( 0.290 -6.472 4.064) 7.648 11.389 ( -0.529 -2.624 0.502) 2.724 11.744 ( -6.897 -5.689 -2.415) 9.261 11.797 ( -4.821 -5.760 5.391) 9.245 12.028 ( -1.943 -9.486 1.243) 9.763 12.119 ( 2.842 -3.687 -5.550) 7.244 12.262 ( 8.133 -2.822 0.219) 8.612 12.308 ( -1.305 -6.657 -4.880) 8.357 12.474 ( 5.225 -1.820 0.220) 5.538 12.625 ( 0.254 0.617 2.699) 2.780 12.751 ( -1.360 0.262 0.512) 1.477 12.810 ( 2.264 -1.765 -1.603) 3.288 12.856 ( -6.206 -4.990 -4.230) 9.017 13.045 ( 4.014 -6.521 1.450) 7.794 13.163 ( 1.149 -6.518 7.680) 10.138 13.246 ( 3.641 -5.061 5.068) 8.034 13.541 ( 0.175 1.016 -0.437) 1.119 13.606 ( 3.496 -1.364 -4.982) 6.237 13.715 ( -6.760 4.182 -1.667) 8.122 13.767 ( -2.848 0.471 0.380) 2.912 13.866 ( -1.540 -8.305 -2.008) 8.681 14.002 ( 2.554 1.278 -0.505) 2.901 14.069 ( -0.628 4.879 2.113) 5.353 14.310 ( -3.740 -0.778 1.910) 4.271 14.401 ( 1.437 5.163 4.011) 6.694 14.493 ( 3.936 3.519 -7.392) 9.084 14.722 ( 4.372 -1.394 -1.534) 4.838 14.845 ( 6.434 -1.077 2.712) 7.065 15.040 ( -3.146 1.197 3.163) 4.618 15.061 ( 1.427 2.088 -2.708) 3.705 15.274 ( -0.858 5.947 1.473) 6.187 15.529 ( -6.521 2.742 1.444) 7.220 15.647 ( 2.567 4.828 -1.098) 5.577 17.122 ( -1.107 -0.460 -0.198) 1.215 17.190 ( -0.708 -0.370 -1.333) 1.554 18.096 ( 8.853 -0.771 3.418) 9.522 18.317 ( -4.310 5.642 -5.959) 9.270 18.906 ( 5.065 7.567 4.536) 10.173 19.105 ( -8.703 -0.364 -4.511) 9.810 19.818 ( 8.409 -0.889 5.274) 9.966 19.931 ( -5.526 3.212 -4.679) 7.922 21.034 ( 2.205 4.138 1.564) 4.943 21.278 ( -2.906 -1.643 -2.495) 4.168 22.366 ( -0.839 1.689 -0.975) 2.123 22.868 ( 1.311 1.488 1.195) 2.315 24.256 ( 0.533 2.997 1.440) 3.368 24.567 ( -5.135 -4.202 -5.140) 8.393 25.109 ( 4.021 -2.155 5.848) 7.417 25.192 ( 0.483 2.714 3.076) 4.131 25.609 ( 0.225 2.917 0.832) 3.042 25.875 ( -2.764 -3.383 0.410) 4.388 25.951 ( 1.433 -2.109 -5.159) 5.754 26.227 ( -1.271 -3.453 -2.076) 4.224 26.609 ( 1.496 2.605 1.000) 3.166 26.827 ( 4.264 5.588 0.113) 7.030 26.940 ( -1.339 2.981 0.704) 3.343 27.040 ( -5.689 0.451 -2.073) 6.072 27.372 ( -2.911 3.761 0.706) 4.808 27.428 ( 4.482 2.644 6.455) 8.292 27.564 ( 0.464 4.493 -0.026) 4.517 27.617 ( -1.145 3.116 1.540) 3.659 27.768 ( 6.219 7.701 -0.956) 9.944 27.892 ( -3.272 1.889 -5.147) 6.385 28.085 ( -0.103 7.083 2.197) 7.417 28.324 ( -12.606 12.082 -8.590) 19.460 28.878 ( -0.103 -0.692 0.401) 0.807 28.935 ( 0.922 -1.024 1.365) 1.940 29.311 ( 4.968 2.721 3.049) 6.433 29.453 ( -6.364 1.892 -4.351) 7.938 29.490 ( 0.753 0.531 0.608) 1.104 29.737 ( -0.084 -6.205 5.090) 8.026 29.863 ( 3.994 -1.151 -0.927) 4.259 30.088 ( -0.734 1.117 -3.476) 3.724 30.448 ( 6.999 -7.363 0.978) 10.205 30.526 ( -0.842 -0.917 -0.017) 1.245 31.193 ( -2.828 -0.364 0.695) 2.935 31.579 ( -3.913 -1.810 1.301) 4.503 31.833 ( 1.591 -5.130 -3.906) 6.642 31.937 ( 2.164 -3.401 -1.528) 4.311 33.789 ( -1.241 -3.400 0.521) 3.657 33.837 ( 2.040 -4.291 5.169) 7.021 ======================= Grid point 12 (9/44) ======================= q-point: ( 0.40 0.29 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -3.390 11.111 5.160) 12.711 0.984 ( -0.610 6.726 -5.054) 8.435 1.116 ( -1.582 4.536 -3.026) 5.678 1.210 ( -7.081 5.064 -2.961) 9.195 1.257 ( -7.711 0.817 -4.313) 8.873 1.432 ( -0.079 7.853 0.915) 7.907 1.504 ( -0.066 1.825 0.147) 1.833 1.544 ( -0.758 6.675 3.286) 7.478 1.636 ( -1.522 2.681 0.340) 3.101 1.658 ( -2.626 1.917 -4.737) 5.745 1.746 ( -5.891 -3.520 -3.734) 7.813 1.950 ( -2.616 2.600 1.174) 3.870 1.975 ( -0.999 3.934 -4.702) 6.212 2.048 ( -0.569 4.939 3.180) 5.902 2.150 ( -2.152 8.422 -1.060) 8.757 2.195 ( -1.171 1.946 -1.152) 2.547 2.361 ( 0.740 -3.189 -1.370) 3.549 2.369 ( 0.072 2.447 -3.117) 3.963 2.482 ( 3.807 1.857 -0.188) 4.240 2.527 ( 0.088 2.927 5.436) 6.175 2.603 ( -2.496 2.102 -5.013) 5.982 2.631 ( -3.062 0.180 0.210) 3.075 2.667 ( 3.129 2.336 0.062) 3.906 2.905 ( -2.159 1.668 0.351) 2.750 3.026 ( 2.732 0.873 3.581) 4.588 3.048 ( 6.264 8.585 0.496) 10.639 3.119 ( -0.096 2.885 -0.464) 2.924 3.167 ( -2.928 2.636 -1.334) 4.160 3.318 ( 1.062 7.462 0.893) 7.590 3.324 ( 1.558 0.182 2.835) 3.240 3.390 ( 0.345 7.204 4.615) 8.562 3.425 ( -3.130 3.262 -2.512) 5.172 3.556 ( 0.843 3.208 -0.432) 3.345 3.617 ( -5.644 4.459 -5.481) 9.043 3.763 ( -1.943 4.897 -2.187) 5.704 3.910 ( 2.754 1.790 1.325) 3.542 3.945 ( 1.887 0.303 -1.239) 2.278 3.972 ( 0.906 0.816 2.341) 2.640 4.009 ( -0.068 2.681 1.642) 3.144 4.091 ( -3.226 5.074 -4.500) 7.510 4.217 ( -1.261 9.605 -2.213) 9.937 4.388 ( 0.086 2.989 1.949) 3.569 4.469 ( -2.393 5.292 -2.874) 6.480 4.624 ( 2.667 -2.312 1.984) 4.049 4.765 ( -1.951 2.671 0.116) 3.310 4.840 ( 2.075 8.464 3.666) 9.454 4.856 ( 3.258 10.389 2.136) 11.095 4.972 ( -3.137 4.692 -2.339) 6.110 5.041 ( 1.732 2.727 0.980) 3.376 5.109 ( 2.355 0.921 0.612) 2.601 5.149 ( -2.075 1.485 -3.432) 4.276 5.221 ( -0.336 -0.285 -2.211) 2.254 5.302 ( 0.197 3.481 0.652) 3.547 5.433 ( -2.621 -1.388 2.162) 3.670 5.507 ( 2.282 5.754 2.886) 6.830 5.605 ( -0.746 0.698 2.564) 2.760 5.702 ( 1.329 6.976 -1.492) 7.257 5.727 ( 1.595 2.478 -1.975) 3.547 5.761 ( -2.844 6.568 -3.343) 7.899 5.828 ( 0.117 8.115 1.519) 8.257 6.062 ( -3.067 10.582 -1.830) 11.168 6.107 ( -2.836 11.791 0.295) 12.131 6.244 ( 2.472 13.385 0.444) 13.618 6.438 ( 4.321 1.484 -4.608) 6.489 6.474 ( -4.894 5.779 3.374) 8.291 6.578 ( 7.000 6.517 1.471) 9.676 6.614 ( -1.534 10.266 0.754) 10.407 6.776 ( -1.289 1.171 1.017) 2.017 6.810 ( -5.877 3.108 -2.389) 7.064 6.947 ( -0.888 9.622 -3.939) 10.435 7.098 ( 4.913 15.103 -1.556) 15.958 7.206 ( -1.595 1.948 1.667) 3.020 7.363 ( 2.727 5.038 0.301) 5.737 7.501 ( 6.874 9.752 8.783) 14.815 7.603 ( -0.166 0.854 -0.538) 1.023 7.746 ( -4.561 6.197 -2.609) 8.125 7.897 ( 3.184 0.568 -0.100) 3.236 7.978 ( -3.141 -1.116 0.055) 3.334 8.198 ( -0.512 1.752 2.937) 3.458 8.340 ( 0.022 -11.050 2.768) 11.391 8.529 ( 3.634 -6.573 -5.425) 9.265 8.656 ( -3.242 -4.977 -1.381) 6.098 8.741 ( -5.556 -1.644 -5.183) 7.774 8.837 ( 0.977 -9.564 -0.907) 9.656 9.077 ( 2.799 -0.937 3.729) 4.755 9.208 ( -2.275 0.037 2.095) 3.093 9.239 ( 0.192 0.143 -0.272) 0.362 9.380 ( 2.322 -8.921 0.939) 9.266 9.736 ( 6.521 -6.561 1.119) 9.318 9.830 ( -4.103 -1.643 0.577) 4.457 10.016 ( -2.603 -7.840 -0.794) 8.299 10.185 ( 1.804 -1.225 1.797) 2.826 10.542 ( -1.517 -6.496 0.373) 6.681 10.688 ( 3.456 -3.820 -0.794) 5.212 10.747 ( -0.730 0.838 -1.431) 1.812 10.809 ( 0.725 5.529 -4.483) 7.155 11.007 ( 2.439 -4.462 5.744) 7.672 11.072 ( 4.043 -0.344 -0.950) 4.168 11.198 ( -0.349 -9.083 2.145) 9.340 11.298 ( -6.663 -9.672 -0.845) 11.776 11.412 ( 4.735 -4.856 4.747) 8.279 11.596 ( -8.126 -2.204 -2.805) 8.874 11.781 ( -1.225 -1.823 1.581) 2.707 11.971 ( -3.559 -7.892 -1.149) 8.733 12.086 ( -1.033 2.821 -0.860) 3.125 12.271 ( 6.482 -4.793 -0.847) 8.106 12.430 ( 2.413 -3.587 -1.355) 4.530 12.569 ( 2.054 -3.150 2.194) 4.354 12.646 ( -1.306 -6.928 0.583) 7.074 12.651 ( -3.244 -5.485 -4.527) 7.817 12.761 ( -0.466 -4.029 -0.061) 4.056 12.838 ( 1.340 0.330 -0.616) 1.512 13.075 ( 0.315 -1.677 0.256) 1.725 13.256 ( 0.690 -7.935 3.965) 8.897 13.352 ( 1.133 -5.992 3.619) 7.091 13.515 ( -1.107 0.526 -1.340) 1.816 13.596 ( -0.466 -2.188 -5.495) 5.933 13.614 ( -1.553 -0.119 0.878) 1.788 13.741 ( 0.831 3.358 1.683) 3.847 13.857 ( -0.078 -7.795 -0.237) 7.799 14.029 ( 0.770 2.386 -0.169) 2.513 14.069 ( -0.869 5.876 0.769) 5.990 14.313 ( -0.218 -3.340 2.377) 4.105 14.428 ( 0.835 4.073 -1.448) 4.403 14.497 ( 1.470 3.626 -0.985) 4.035 14.725 ( 0.236 -3.453 -2.024) 4.009 14.989 ( -1.428 3.919 0.432) 4.193 15.018 ( 6.996 0.927 1.010) 7.129 15.090 ( 0.388 0.449 -0.123) 0.606 15.274 ( -0.425 6.942 0.726) 6.993 15.428 ( -5.118 -0.194 1.144) 5.247 15.675 ( 1.158 5.149 -0.303) 5.286 17.091 ( -1.112 0.629 -0.687) 1.450 17.170 ( -0.370 0.421 -0.420) 0.700 18.173 ( -1.157 5.157 -2.168) 5.713 18.393 ( 13.133 0.314 5.528) 14.252 18.712 ( -14.312 1.271 -7.243) 16.091 19.198 ( 6.244 6.962 4.667) 10.452 19.771 ( -5.044 4.249 -4.056) 7.742 19.976 ( 3.694 0.348 2.529) 4.491 21.023 ( -1.725 -1.457 -1.644) 2.793 21.279 ( 1.929 2.265 1.320) 3.254 22.303 ( -2.547 -1.308 -1.835) 3.401 22.930 ( 2.206 5.751 1.627) 6.371 24.285 ( 0.543 1.457 1.645) 2.263 24.445 ( -2.617 -5.407 -3.234) 6.822 25.184 ( 0.553 4.840 1.447) 5.082 25.264 ( 1.663 -0.661 3.643) 4.059 25.615 ( -0.226 2.533 0.173) 2.549 25.839 ( -1.326 -6.839 0.339) 6.974 25.917 ( 0.513 -1.387 -3.431) 3.736 26.190 ( -0.592 -3.306 -1.132) 3.544 26.646 ( 1.164 1.889 0.622) 2.304 26.890 ( -2.022 3.729 -0.616) 4.286 26.921 ( 4.926 5.418 -0.396) 7.333 26.984 ( -2.049 -0.035 1.543) 2.566 27.273 ( -5.092 1.140 -0.579) 5.250 27.520 ( 1.063 1.999 1.317) 2.619 27.611 ( -0.485 6.944 -0.451) 6.975 27.627 ( 2.505 8.932 4.564) 10.339 27.742 ( -2.707 6.267 -5.518) 8.778 27.912 ( 5.364 4.385 0.705) 6.964 28.053 ( -2.875 13.276 0.434) 13.591 28.186 ( -1.103 4.697 -1.104) 4.950 28.878 ( -0.179 -0.834 0.202) 0.877 28.963 ( 0.564 -0.977 0.698) 1.326 29.278 ( -3.687 4.431 -1.121) 5.872 29.384 ( 0.241 2.611 -1.594) 3.068 29.496 ( -0.213 0.816 -0.398) 0.933 29.823 ( 1.094 -6.525 5.687) 8.725 29.901 ( 1.525 -1.972 -0.940) 2.664 30.037 ( -0.204 0.054 -3.555) 3.561 30.505 ( -0.883 -1.096 0.005) 1.408 30.562 ( 3.779 -12.039 0.128) 12.618 31.152 ( -1.779 -0.835 0.343) 1.995 31.530 ( -2.142 -2.317 0.683) 3.228 31.824 ( 0.862 -2.753 -1.755) 3.377 31.958 ( 1.235 -2.133 -0.840) 2.604 33.765 ( -1.100 -3.386 0.170) 3.564 33.914 ( 0.993 -5.447 2.515) 6.081 ======================= Grid point 15 (10/44) ======================= q-point: ( 0.00 0.43 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 0.000 8.107 0.000) 8.107 1.230 ( 0.000 0.646 0.000) 0.646 1.340 ( 0.000 7.555 0.000) 7.555 1.428 ( 0.000 2.497 0.000) 2.497 1.492 ( 0.000 -1.419 0.000) 1.419 1.574 ( 0.000 1.732 0.000) 1.732 1.755 ( 0.000 6.517 0.000) 6.517 1.840 ( 0.000 0.592 0.000) 0.592 1.858 ( 0.000 3.795 0.000) 3.795 1.916 ( 0.000 1.856 0.000) 1.856 1.935 ( 0.000 -1.415 0.000) 1.415 2.002 ( 0.000 -2.084 0.000) 2.084 2.073 ( 0.000 -3.153 0.000) 3.153 2.080 ( 0.000 0.730 0.000) 0.730 2.175 ( 0.000 -2.396 0.000) 2.396 2.307 ( 0.000 5.185 0.000) 5.185 2.354 ( 0.000 2.982 0.000) 2.982 2.394 ( 0.000 -3.126 0.000) 3.126 2.426 ( 0.000 -1.419 0.000) 1.419 2.453 ( 0.000 -2.491 0.000) 2.491 2.655 ( 0.000 1.575 0.000) 1.575 2.723 ( 0.000 4.869 0.000) 4.869 2.839 ( 0.000 0.193 0.000) 0.193 2.938 ( 0.000 0.840 0.000) 0.840 3.009 ( 0.000 -1.302 0.000) 1.302 3.017 ( 0.000 6.251 0.000) 6.251 3.201 ( 0.000 3.266 0.000) 3.266 3.283 ( 0.000 -0.674 0.000) 0.674 3.333 ( 0.000 5.344 0.000) 5.344 3.464 ( 0.000 2.427 0.000) 2.427 3.472 ( 0.000 2.243 0.000) 2.243 3.548 ( 0.000 -4.117 0.000) 4.117 3.677 ( 0.000 1.834 0.000) 1.834 3.774 ( 0.000 -3.103 0.000) 3.103 3.838 ( 0.000 3.794 0.000) 3.794 3.886 ( 0.000 -0.846 0.000) 0.846 3.924 ( 0.000 1.491 0.000) 1.491 3.935 ( 0.000 2.202 0.000) 2.202 4.104 ( 0.000 5.433 0.000) 5.433 4.121 ( 0.000 -0.815 0.000) 0.815 4.284 ( 0.000 -2.667 0.000) 2.667 4.475 ( 0.000 -0.322 0.000) 0.322 4.476 ( 0.000 2.332 0.000) 2.332 4.635 ( 0.000 3.589 0.000) 3.589 4.741 ( 0.000 1.416 0.000) 1.416 4.816 ( 0.000 1.260 0.000) 1.260 4.982 ( 0.000 1.738 0.000) 1.738 4.985 ( 0.000 -1.833 0.000) 1.833 5.078 ( 0.000 9.654 0.000) 9.654 5.151 ( 0.000 -1.104 0.000) 1.104 5.222 ( 0.000 -2.124 0.000) 2.124 5.293 ( 0.000 -0.237 0.000) 0.237 5.432 ( 0.000 2.734 0.000) 2.734 5.545 ( 0.000 0.840 0.000) 0.840 5.585 ( 0.000 2.623 0.000) 2.623 5.712 ( 0.000 0.261 0.000) 0.261 5.771 ( 0.000 16.471 0.000) 16.471 5.778 ( 0.000 -6.850 0.000) 6.850 5.972 ( 0.000 13.074 0.000) 13.074 6.084 ( 0.000 -4.695 0.000) 4.695 6.102 ( 0.000 2.403 0.000) 2.403 6.132 ( 0.000 1.696 0.000) 1.696 6.354 ( 0.000 -2.241 0.000) 2.241 6.464 ( 0.000 0.795 0.000) 0.795 6.531 ( 0.000 9.642 0.000) 9.642 6.660 ( 0.000 4.988 0.000) 4.988 6.840 ( 0.000 0.439 0.000) 0.439 6.983 ( 0.000 -4.729 0.000) 4.729 6.990 ( 0.000 4.896 0.000) 4.896 7.099 ( 0.000 -1.928 0.000) 1.928 7.194 ( 0.000 5.908 0.000) 5.908 7.283 ( 0.000 7.245 0.000) 7.245 7.330 ( 0.000 2.705 0.000) 2.705 7.521 ( 0.000 1.123 0.000) 1.123 7.621 ( 0.000 3.223 0.000) 3.223 7.807 ( 0.000 3.936 0.000) 3.936 7.844 ( 0.000 6.500 0.000) 6.500 7.917 ( 0.000 -1.441 0.000) 1.441 7.975 ( 0.000 -4.760 0.000) 4.760 8.263 ( 0.000 -6.107 0.000) 6.107 8.398 ( 0.000 -5.720 0.000) 5.720 8.682 ( 0.000 2.169 0.000) 2.169 8.741 ( 0.000 -8.028 0.000) 8.028 8.776 ( 0.000 -2.663 0.000) 2.663 8.885 ( 0.000 2.207 0.000) 2.207 8.916 ( 0.000 -13.313 0.000) 13.313 9.039 ( 0.000 -3.095 0.000) 3.095 9.334 ( 0.000 -0.672 0.000) 0.672 9.824 ( 0.000 -1.268 0.000) 1.268 9.932 ( 0.000 7.169 0.000) 7.169 9.990 ( 0.000 2.354 0.000) 2.354 10.305 ( 0.000 -0.586 0.000) 0.586 10.476 ( 0.000 -0.765 0.000) 0.765 10.609 ( 0.000 -1.978 0.000) 1.978 10.679 ( 0.000 2.721 0.000) 2.721 10.742 ( 0.000 -4.252 0.000) 4.252 10.743 ( 0.000 -8.114 0.000) 8.114 11.063 ( 0.000 -2.893 0.000) 2.893 11.238 ( 0.000 2.087 0.000) 2.087 11.353 ( 0.000 4.050 0.000) 4.050 11.361 ( 0.000 4.248 0.000) 4.248 11.607 ( 0.000 -7.330 0.000) 7.330 11.786 ( 0.000 -1.432 0.000) 1.432 11.901 ( 0.000 -3.864 0.000) 3.864 11.955 ( 0.000 -4.596 0.000) 4.596 12.083 ( 0.000 -3.541 0.000) 3.541 12.345 ( 0.000 0.683 0.000) 0.683 12.468 ( 0.000 4.499 0.000) 4.499 12.585 ( 0.000 -3.042 0.000) 3.042 12.703 ( 0.000 -6.555 0.000) 6.555 12.754 ( 0.000 0.110 0.000) 0.110 12.890 ( 0.000 -2.769 0.000) 2.769 12.979 ( 0.000 -1.686 0.000) 1.686 12.995 ( 0.000 5.160 0.000) 5.160 13.122 ( 0.000 -4.541 0.000) 4.541 13.548 ( 0.000 0.113 0.000) 0.113 13.622 ( 0.000 1.204 0.000) 1.204 13.688 ( 0.000 -2.771 0.000) 2.771 13.819 ( 0.000 -2.356 0.000) 2.356 13.885 ( 0.000 2.002 0.000) 2.002 13.967 ( 0.000 -0.650 0.000) 0.650 14.168 ( 0.000 4.217 0.000) 4.217 14.373 ( 0.000 -2.012 0.000) 2.012 14.473 ( 0.000 3.219 0.000) 3.219 14.501 ( 0.000 2.370 0.000) 2.370 14.672 ( 0.000 0.840 0.000) 0.840 14.727 ( 0.000 -2.534 0.000) 2.534 15.012 ( 0.000 -0.326 0.000) 0.326 15.153 ( 0.000 1.436 0.000) 1.436 15.359 ( 0.000 2.423 0.000) 2.423 15.655 ( 0.000 0.701 0.000) 0.701 15.660 ( 0.000 1.278 0.000) 1.278 17.102 ( 0.000 -0.710 0.000) 0.710 17.198 ( 0.000 -0.253 0.000) 0.253 17.966 ( 0.000 -0.373 0.000) 0.373 18.546 ( 0.000 2.999 0.000) 2.999 18.881 ( 0.000 3.270 0.000) 3.270 19.236 ( 0.000 -1.756 0.000) 1.756 19.651 ( 0.000 -0.365 0.000) 0.365 20.050 ( 0.000 1.015 0.000) 1.015 21.127 ( 0.000 6.402 0.000) 6.402 21.248 ( 0.000 -5.168 0.000) 5.168 22.442 ( 0.000 2.475 0.000) 2.475 22.822 ( 0.000 -1.398 0.000) 1.398 24.306 ( 0.000 1.827 0.000) 1.827 24.621 ( 0.000 -1.062 0.000) 1.062 24.931 ( 0.000 -2.096 0.000) 2.096 25.232 ( 0.000 1.413 0.000) 1.413 25.661 ( 0.000 2.258 0.000) 2.258 25.849 ( 0.000 -2.138 0.000) 2.138 25.933 ( 0.000 -0.915 0.000) 0.915 26.212 ( 0.000 -0.814 0.000) 0.814 26.634 ( 0.000 1.238 0.000) 1.238 26.860 ( 0.000 1.542 0.000) 1.542 26.982 ( 0.000 1.312 0.000) 1.312 27.171 ( 0.000 -0.172 0.000) 0.172 27.337 ( 0.000 1.965 0.000) 1.965 27.448 ( 0.000 0.535 0.000) 0.535 27.617 ( 0.000 1.878 0.000) 1.878 27.663 ( 0.000 1.599 0.000) 1.599 27.870 ( 0.000 4.177 0.000) 4.177 27.936 ( 0.000 -0.448 0.000) 0.448 28.156 ( 0.000 2.954 0.000) 2.954 28.688 ( 0.000 1.555 0.000) 1.555 28.869 ( 0.000 0.164 0.000) 0.164 28.885 ( 0.000 -0.956 0.000) 0.956 29.229 ( 0.000 2.678 0.000) 2.678 29.499 ( 0.000 0.263 0.000) 0.263 29.599 ( 0.000 1.140 0.000) 1.140 29.639 ( 0.000 -2.826 0.000) 2.826 29.797 ( 0.000 -0.255 0.000) 0.255 30.147 ( 0.000 0.889 0.000) 0.889 30.325 ( 0.000 -1.184 0.000) 1.184 30.516 ( 0.000 -0.374 0.000) 0.374 31.216 ( 0.000 -0.030 0.000) 0.030 31.604 ( 0.000 0.061 0.000) 0.061 31.713 ( 0.000 -3.618 0.000) 3.618 31.850 ( 0.000 -2.370 0.000) 2.370 33.742 ( 0.000 -0.541 0.000) 0.541 33.749 ( 0.000 -1.749 0.000) 1.749 ======================= Grid point 16 (11/44) ======================= q-point: ( 0.20 0.43 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -8.395 13.266 -2.119) 15.842 1.259 ( -4.042 5.520 -4.691) 8.295 1.267 ( -2.549 -0.259 0.831) 2.694 1.373 ( -7.200 -3.023 -1.669) 7.985 1.412 ( -2.488 -0.816 -3.911) 4.707 1.526 ( -2.941 4.172 1.204) 5.244 1.638 ( -5.359 3.937 -6.471) 9.279 1.722 ( -9.048 -2.484 -3.403) 9.981 1.759 ( -8.341 2.318 -3.312) 9.269 1.808 ( 1.097 2.084 -5.890) 6.344 1.871 ( -8.306 -1.119 -4.348) 9.442 2.026 ( -1.918 -1.150 -1.341) 2.608 2.039 ( 0.434 0.921 1.199) 1.573 2.137 ( -5.713 2.447 1.768) 6.461 2.226 ( 5.938 -0.871 -3.765) 7.085 2.265 ( 2.175 -2.966 -0.542) 3.718 2.355 ( -2.435 4.737 3.580) 6.418 2.414 ( 1.140 0.156 1.505) 1.894 2.441 ( 2.397 1.855 1.652) 3.452 2.527 ( 2.191 -0.658 4.132) 4.723 2.623 ( -1.114 0.405 -2.817) 3.056 2.702 ( -0.689 3.453 -1.834) 3.971 2.764 ( -5.456 -1.505 -4.990) 7.545 2.924 ( -1.177 0.508 2.903) 3.173 3.012 ( -0.454 2.372 2.675) 3.604 3.083 ( 2.884 5.345 2.490) 6.564 3.130 ( -0.776 -1.593 -2.342) 2.937 3.204 ( -0.609 0.949 -0.968) 1.486 3.398 ( -2.326 2.169 -3.656) 4.846 3.448 ( -1.080 4.664 2.422) 5.365 3.480 ( 0.751 2.499 2.109) 3.356 3.583 ( -5.929 0.192 -1.242) 6.061 3.628 ( -4.239 1.772 -6.226) 7.738 3.725 ( 7.103 -2.900 8.887) 11.741 3.845 ( 0.091 2.910 -4.748) 5.569 3.885 ( 1.449 0.734 -3.013) 3.423 3.930 ( 1.613 -0.601 1.085) 2.035 3.951 ( -1.052 3.511 -0.345) 3.682 4.034 ( -1.707 -1.741 -0.582) 2.506 4.179 ( 0.773 1.473 0.223) 1.679 4.349 ( 2.583 0.258 0.655) 2.677 4.385 ( 0.916 -0.255 3.075) 3.219 4.575 ( -3.856 4.005 -2.409) 6.059 4.674 ( 2.976 1.148 2.071) 3.803 4.793 ( 3.285 2.220 5.257) 6.585 4.858 ( 5.144 2.935 1.750) 6.176 4.990 ( 1.117 2.761 -1.700) 3.429 5.020 ( -0.619 2.550 5.635) 6.216 5.046 ( 1.535 4.085 -3.464) 5.571 5.132 ( -0.842 -1.094 -2.916) 3.226 5.189 ( -2.981 -3.194 -0.355) 4.384 5.264 ( -1.380 1.468 -2.193) 2.978 5.422 ( -5.614 3.188 -0.835) 6.510 5.472 ( -0.643 -1.636 3.302) 3.741 5.549 ( -4.680 3.623 -2.097) 6.279 5.629 ( -8.445 -2.731 -2.636) 9.259 5.771 ( 0.444 -0.040 -6.968) 6.983 5.808 ( -1.997 2.612 1.148) 3.483 5.868 ( 7.805 11.116 -0.828) 13.608 6.009 ( -3.542 5.312 -1.961) 6.679 6.142 ( 5.360 -4.624 0.570) 7.102 6.270 ( 1.672 -0.019 -4.013) 4.348 6.419 ( 1.993 6.821 3.390) 7.873 6.524 ( 0.415 5.267 6.616) 8.467 6.542 ( 7.224 1.494 2.416) 7.763 6.685 ( 3.266 5.316 -2.615) 6.765 6.754 ( -16.968 1.167 -1.569) 17.080 6.825 ( -1.910 1.403 1.262) 2.685 6.985 ( -5.254 2.530 0.288) 5.838 7.103 ( 5.164 0.403 -0.859) 5.250 7.223 ( 3.599 3.822 -3.410) 6.260 7.337 ( 5.118 8.711 -0.686) 10.127 7.386 ( 5.127 5.189 0.549) 7.316 7.534 ( -1.255 1.994 4.296) 4.900 7.694 ( 3.370 2.144 1.527) 4.276 7.805 ( 4.962 4.761 -7.386) 10.091 7.875 ( -1.198 3.908 7.326) 8.389 7.971 ( -0.913 -0.738 3.824) 4.000 7.999 ( 3.684 -4.241 4.336) 7.097 8.177 ( -7.890 -8.145 1.746) 11.474 8.408 ( 3.287 -6.530 -4.917) 8.811 8.594 ( -7.930 -9.266 -2.124) 12.380 8.711 ( 3.016 2.106 -2.413) 4.399 8.807 ( 2.505 -2.858 -2.619) 4.615 8.916 ( 5.264 -0.570 0.755) 5.348 9.108 ( 6.453 -2.739 4.325) 8.237 9.134 ( 10.516 -5.699 4.850) 12.907 9.320 ( 0.036 -3.396 -2.689) 4.332 9.719 ( -15.758 10.736 -2.079) 19.181 9.886 ( -3.068 -1.676 1.777) 3.922 10.004 ( 2.617 -2.112 3.502) 4.856 10.123 ( -11.927 -4.293 -4.980) 13.619 10.512 ( 0.290 1.857 1.169) 2.213 10.575 ( 1.240 -2.802 -1.625) 3.468 10.734 ( 4.696 1.497 -1.762) 5.234 10.783 ( 1.391 -3.360 5.998) 7.015 10.855 ( 9.062 -4.755 2.385) 10.508 11.026 ( -1.472 0.225 -6.993) 7.149 11.193 ( -2.874 1.657 -1.286) 3.559 11.259 ( -2.308 -0.787 3.353) 4.146 11.390 ( -8.834 1.016 -3.673) 9.621 11.620 ( 3.835 -2.819 5.366) 7.173 11.771 ( -2.853 0.927 2.732) 4.058 11.853 ( -3.946 -6.351 0.895) 7.530 12.057 ( 6.495 -2.177 2.781) 7.393 12.165 ( 7.510 -5.035 -7.020) 11.447 12.268 ( 1.169 3.076 -7.205) 7.921 12.444 ( 1.139 -3.017 -3.179) 4.528 12.616 ( -0.866 -0.158 6.846) 6.902 12.729 ( -8.738 -3.728 -3.297) 10.056 12.803 ( 1.674 2.526 -1.449) 3.359 12.832 ( -1.837 2.813 6.174) 7.029 12.904 ( 5.269 -6.642 1.819) 8.671 13.055 ( -3.675 -3.591 3.106) 6.004 13.168 ( 3.073 -1.927 3.337) 4.928 13.575 ( 2.323 1.760 -1.278) 3.182 13.594 ( -0.635 -0.196 -2.002) 2.109 13.720 ( 1.586 -2.992 0.726) 3.463 13.772 ( -5.811 1.165 -1.566) 6.130 13.793 ( -4.118 -0.232 -1.342) 4.338 14.008 ( 2.937 -0.273 1.279) 3.215 14.155 ( -1.401 2.921 1.826) 3.718 14.301 ( -3.848 -0.445 -1.204) 4.056 14.502 ( -0.624 3.896 4.596) 6.057 14.557 ( 6.920 1.993 -6.850) 9.939 14.675 ( 0.033 -2.711 -2.202) 3.493 14.831 ( 9.276 -0.222 2.795) 9.690 15.034 ( 0.112 -0.380 3.023) 3.049 15.109 ( -1.922 1.271 -2.544) 3.433 15.365 ( -0.222 2.443 1.250) 2.753 15.559 ( -7.766 0.517 0.162) 7.785 15.707 ( 3.231 1.230 -1.353) 3.712 17.130 ( 1.506 0.904 0.427) 1.807 17.174 ( -1.202 -1.016 -1.270) 2.022 18.082 ( 9.605 -0.417 4.871) 10.778 18.399 ( -6.401 2.050 -7.337) 9.950 19.026 ( -4.352 3.707 -0.880) 5.784 19.091 ( 1.505 -0.939 3.445) 3.875 19.800 ( 9.550 -0.567 4.223) 10.458 19.980 ( -4.285 1.296 -5.080) 6.771 21.110 ( -3.731 2.690 -1.462) 4.827 21.242 ( 1.188 -1.564 2.042) 2.833 22.390 ( -3.669 0.613 -3.298) 4.971 22.888 ( 4.852 0.451 3.328) 5.901 24.310 ( 0.371 1.677 -0.093) 1.720 24.506 ( -5.937 -1.582 -5.582) 8.301 25.060 ( 6.243 -1.463 7.822) 10.114 25.243 ( -0.322 1.382 2.397) 2.785 25.672 ( 0.430 2.557 0.808) 2.715 25.806 ( -2.743 -2.739 -3.004) 4.904 25.916 ( 0.293 -1.041 -3.413) 3.580 26.191 ( -1.101 -0.557 -1.367) 1.841 26.649 ( 0.903 1.068 0.953) 1.693 26.898 ( 3.639 1.253 0.123) 3.851 26.988 ( 0.178 1.659 1.076) 1.986 27.044 ( -5.896 0.128 -3.914) 7.078 27.402 ( -6.026 0.196 0.349) 6.039 27.466 ( 4.544 0.956 5.412) 7.131 27.657 ( 3.487 3.279 2.591) 5.443 27.689 ( 1.427 2.263 2.798) 3.871 27.880 ( 2.639 2.946 -2.448) 4.652 27.906 ( 0.158 -0.149 -4.061) 4.067 28.213 ( 1.932 4.024 4.834) 6.580 28.493 ( -11.383 4.240 -7.035) 14.038 28.873 ( -0.070 0.289 0.157) 0.336 28.905 ( 1.238 -1.511 1.123) 2.253 29.356 ( 6.813 1.373 2.501) 7.386 29.475 ( -6.103 0.455 -0.194) 6.123 29.510 ( -1.459 0.848 -4.290) 4.610 29.635 ( -0.005 -3.043 3.662) 4.761 29.847 ( 3.410 -0.425 -0.981) 3.574 30.105 ( -1.600 0.447 -4.140) 4.461 30.355 ( 1.887 -2.143 1.701) 3.324 30.515 ( -0.415 -0.222 -0.004) 0.470 31.189 ( -3.043 -0.007 0.820) 3.151 31.552 ( -5.140 -0.700 1.898) 5.524 31.749 ( 4.071 -2.246 -2.617) 5.335 31.870 ( 2.634 -2.258 -1.283) 3.699 33.736 ( -1.160 -1.493 -0.184) 1.900 33.780 ( 1.920 -1.319 2.702) 3.567 ======================= Grid point 17 (12/44) ======================= q-point: ( 0.40 0.43 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -7.350 11.313 0.099) 13.491 1.062 ( -7.455 0.461 -7.127) 10.324 1.194 ( -3.827 -0.791 -1.780) 4.294 1.257 ( -2.528 1.385 -1.352) 3.183 1.290 ( -2.583 1.951 -4.025) 5.165 1.519 ( 0.043 2.021 0.141) 2.026 1.548 ( -1.987 1.676 -0.069) 2.600 1.594 ( -2.038 -0.843 -2.309) 3.193 1.620 ( -5.175 -1.718 3.601) 6.535 1.686 ( -5.494 0.160 -3.163) 6.342 1.765 ( 1.603 5.354 -6.934) 8.906 1.937 ( -4.021 -3.082 -1.880) 5.404 2.025 ( -0.676 1.352 -0.128) 1.517 2.056 ( -2.459 -1.663 3.088) 4.283 2.286 ( 2.102 4.463 -2.771) 5.658 2.318 ( 0.891 0.271 -1.413) 1.692 2.338 ( -1.475 7.441 3.254) 8.254 2.443 ( 1.960 0.995 -2.544) 3.362 2.472 ( 1.317 -1.640 3.518) 4.099 2.570 ( -0.746 1.340 0.940) 1.799 2.588 ( -4.741 -3.010 -3.329) 6.528 2.655 ( 3.131 1.019 -0.571) 3.342 2.696 ( 0.175 0.669 -0.251) 0.735 2.954 ( 0.793 -0.021 1.297) 1.521 2.984 ( -3.728 2.341 1.245) 4.574 3.110 ( -1.866 -6.260 -0.599) 6.560 3.150 ( 2.153 2.471 1.463) 3.589 3.257 ( 5.736 4.210 2.847) 7.664 3.356 ( -1.061 6.891 0.545) 6.994 3.431 ( -1.457 0.643 2.418) 2.895 3.496 ( -0.896 -2.596 -0.746) 2.846 3.529 ( 0.581 6.284 1.257) 6.434 3.590 ( 1.564 2.675 -1.651) 3.511 3.689 ( -6.153 2.049 -7.395) 9.836 3.845 ( 1.236 -1.016 1.231) 2.019 3.872 ( -1.492 1.827 -0.676) 2.453 3.950 ( 0.880 -2.424 -1.774) 3.130 3.980 ( 1.443 1.548 0.709) 2.232 4.018 ( 0.729 -1.163 0.206) 1.388 4.175 ( -0.044 2.192 -0.635) 2.282 4.378 ( 0.109 5.531 2.032) 5.893 4.437 ( -1.463 0.445 2.292) 2.756 4.567 ( 2.708 0.826 4.611) 5.411 4.621 ( -2.409 1.832 -5.666) 6.424 4.876 ( -2.259 9.215 0.038) 9.488 4.920 ( 2.530 1.971 5.111) 6.035 5.034 ( 1.104 4.407 0.009) 4.544 5.044 ( -1.033 2.021 -4.600) 5.129 5.073 ( 1.873 -0.182 0.204) 1.893 5.086 ( 1.999 -1.357 -0.577) 2.484 5.141 ( -1.801 -5.351 0.879) 5.714 5.231 ( -0.280 -0.432 -1.571) 1.653 5.314 ( -1.858 3.894 -0.192) 4.319 5.400 ( -7.913 -0.160 -2.818) 8.401 5.490 ( -0.640 -9.742 1.435) 9.867 5.580 ( 1.738 0.879 2.452) 3.131 5.661 ( -1.895 0.208 -3.713) 4.173 5.871 ( 6.227 5.729 -3.189) 9.042 5.940 ( 1.515 2.770 -1.152) 3.361 6.035 ( 2.718 11.913 2.885) 12.555 6.229 ( 1.690 0.663 0.143) 1.822 6.249 ( 1.487 2.145 -2.649) 3.719 6.358 ( -10.523 0.007 1.800) 10.676 6.471 ( -2.676 3.974 -1.684) 5.078 6.614 ( 0.632 6.854 2.947) 7.487 6.721 ( 2.078 1.274 0.521) 2.492 6.735 ( 6.923 -0.247 0.275) 6.933 6.804 ( -3.418 1.253 2.700) 4.532 6.902 ( -4.126 6.905 0.143) 8.045 7.173 ( 3.654 7.217 -1.533) 8.233 7.260 ( 1.982 6.015 -0.702) 6.372 7.405 ( 1.720 10.312 0.353) 10.460 7.486 ( 4.187 4.975 0.934) 6.569 7.551 ( -0.421 -1.710 1.761) 2.490 7.741 ( 2.849 5.286 -2.571) 6.532 7.787 ( -2.401 -1.310 -1.024) 2.920 7.925 ( 1.978 2.576 0.076) 3.249 7.960 ( -3.425 -0.240 3.473) 4.884 8.144 ( 4.185 -4.371 3.276) 6.881 8.162 ( 2.125 -3.786 8.475) 9.522 8.387 ( 1.173 -6.220 -8.130) 10.303 8.452 ( -5.547 -10.317 -0.781) 11.740 8.717 ( 1.178 -0.962 -2.592) 3.005 8.788 ( -1.135 1.748 -1.944) 2.850 9.076 ( 7.807 0.501 2.237) 8.136 9.214 ( 1.501 -0.805 0.694) 1.839 9.239 ( -0.594 -1.666 -0.764) 1.927 9.292 ( -3.928 4.339 -0.818) 5.910 9.542 ( 1.438 -9.419 -0.415) 9.537 9.753 ( -8.051 -6.790 1.112) 10.591 9.879 ( -6.258 -2.141 -2.687) 7.139 10.160 ( 3.840 -1.042 2.847) 4.893 10.523 ( 0.049 3.818 1.371) 4.057 10.605 ( 1.708 -3.390 -0.151) 3.799 10.817 ( 4.891 4.194 -0.060) 6.443 10.909 ( 3.749 -2.837 8.007) 9.286 10.925 ( 0.402 2.091 -4.571) 5.043 11.041 ( 7.682 -2.690 1.163) 8.222 11.087 ( -4.971 -1.256 -6.193) 8.040 11.152 ( -10.197 -3.650 -2.132) 11.039 11.310 ( -0.278 -3.503 5.344) 6.396 11.673 ( -1.569 6.301 -0.545) 6.516 11.741 ( -2.850 -2.040 0.617) 3.559 11.818 ( -0.841 -4.097 0.537) 4.217 12.148 ( 6.752 0.314 -2.180) 7.103 12.201 ( 4.202 -0.783 1.956) 4.701 12.294 ( 3.561 -7.504 -3.714) 9.099 12.428 ( -13.351 -5.409 -2.323) 14.591 12.533 ( 4.161 -2.320 -2.803) 5.528 12.650 ( -0.992 1.376 3.194) 3.617 12.771 ( -1.583 4.100 0.161) 4.398 12.913 ( 1.853 5.908 1.780) 6.442 12.959 ( -0.306 -8.040 0.060) 8.046 13.122 ( 4.105 -7.901 4.873) 10.150 13.209 ( -1.785 -2.483 1.597) 3.450 13.522 ( -1.644 0.290 -2.377) 2.904 13.608 ( -0.412 1.513 -3.611) 3.937 13.642 ( -2.229 1.982 0.804) 3.089 13.722 ( -0.030 -4.535 0.170) 4.538 13.812 ( 0.967 1.828 2.154) 2.986 14.052 ( 0.974 0.305 -0.117) 1.027 14.167 ( -0.084 3.334 1.597) 3.698 14.255 ( -0.715 -2.131 0.261) 2.263 14.522 ( -0.584 4.566 1.306) 4.785 14.568 ( 1.415 2.203 -3.571) 4.428 14.649 ( 0.083 -3.941 -2.097) 4.465 15.021 ( 7.764 -0.134 1.327) 7.878 15.039 ( -1.507 0.953 1.648) 2.428 15.098 ( 1.346 0.366 -0.673) 1.549 15.373 ( -0.125 2.490 0.721) 2.595 15.411 ( -6.871 -0.833 -0.658) 6.953 15.743 ( 1.501 1.593 -0.218) 2.199 17.111 ( -1.230 0.853 -0.933) 1.764 17.179 ( 0.833 0.249 0.110) 0.876 18.250 ( -2.168 2.170 -2.795) 4.150 18.370 ( 13.114 -1.358 6.356) 14.636 18.737 ( -13.661 0.704 -6.845) 15.296 19.305 ( 6.025 2.871 5.588) 8.705 19.837 ( -4.084 1.779 -4.513) 6.342 19.975 ( 4.881 -0.159 2.075) 5.307 21.005 ( -3.541 -0.352 -1.752) 3.966 21.312 ( 1.938 0.815 2.205) 3.047 22.287 ( -2.754 -0.330 -2.445) 3.697 23.006 ( 3.279 1.760 2.294) 4.372 24.315 ( 0.248 1.121 0.180) 1.162 24.371 ( -3.057 -1.862 -2.945) 4.636 25.234 ( 4.033 -0.068 4.864) 6.319 25.263 ( -0.247 1.118 1.897) 2.216 25.666 ( -1.393 2.337 -1.553) 3.133 25.732 ( -1.090 -3.603 -1.132) 3.931 25.885 ( 0.125 -1.141 -2.265) 2.539 26.162 ( -0.599 -0.205 -0.720) 0.959 26.675 ( 0.747 0.796 0.601) 1.246 26.931 ( -2.478 0.845 -1.361) 2.951 26.954 ( 1.411 -0.259 -0.017) 1.435 27.040 ( 3.460 2.581 1.194) 4.479 27.272 ( -6.472 -0.242 -0.710) 6.516 27.546 ( 1.202 0.598 1.310) 1.875 27.730 ( 0.838 3.739 0.600) 3.879 27.771 ( 0.069 3.217 6.582) 7.326 27.840 ( 2.711 3.119 -5.673) 7.018 27.964 ( 3.492 1.158 0.838) 3.773 28.266 ( -2.893 5.129 -0.022) 5.889 28.277 ( -2.548 3.643 -1.574) 4.717 28.870 ( -0.191 0.107 -0.033) 0.221 28.938 ( 0.819 -1.195 0.704) 1.611 29.340 ( -4.011 1.465 -1.336) 4.474 29.425 ( 1.009 1.301 -0.964) 1.908 29.492 ( 0.121 -0.665 -0.824) 1.066 29.717 ( 2.019 -2.907 4.658) 5.850 29.874 ( 1.113 -0.647 -0.995) 1.626 30.033 ( -1.063 -0.252 -3.392) 3.563 30.400 ( 1.003 -3.489 0.900) 3.740 30.501 ( -0.568 -0.221 -0.304) 0.681 31.149 ( -1.740 0.174 0.446) 1.805 31.498 ( -2.189 -0.728 0.801) 2.442 31.779 ( 1.572 -1.264 -1.208) 2.352 31.899 ( 1.447 -2.236 -0.676) 2.748 33.715 ( -0.733 -1.317 -0.099) 1.511 33.836 ( 1.080 -1.981 1.513) 2.716 ======================= Grid point 35 (13/44) ======================= q-point: ( 0.00 0.00 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -2.119 0.000 21.763) 21.866 0.605 ( -0.814 0.000 26.099) 26.111 0.786 ( -14.832 0.000 33.968) 37.064 0.985 ( -0.676 0.000 -4.294) 4.346 1.164 ( 4.428 0.000 0.206) 4.433 1.215 ( -3.060 0.000 -3.722) 4.818 1.244 ( 8.019 0.000 -0.498) 8.034 1.404 ( 6.431 0.000 -4.518) 7.860 1.572 ( -5.760 0.000 -3.052) 6.519 1.670 ( -3.139 0.000 1.852) 3.645 1.678 ( 2.069 0.000 -0.163) 2.075 1.899 ( -0.153 0.000 -6.133) 6.135 2.018 ( -16.097 0.000 -11.300) 19.667 2.053 ( 5.111 0.000 -5.817) 7.744 2.140 ( 2.071 0.000 -0.200) 2.080 2.210 ( 2.655 0.000 -6.947) 7.437 2.345 ( -8.263 0.000 -15.973) 17.984 2.371 ( 2.384 0.000 -2.509) 3.461 2.371 ( 2.968 0.000 -7.448) 8.017 2.383 ( -2.816 0.000 -3.549) 4.530 2.587 ( 6.148 0.000 3.025) 6.852 2.626 ( 1.064 0.000 1.878) 2.159 2.739 ( -1.198 0.000 -1.075) 1.609 2.807 ( -0.176 0.000 0.191) 0.259 2.837 ( 6.055 0.000 9.908) 11.612 2.903 ( -1.594 0.000 -1.059) 1.914 2.973 ( 0.351 0.000 2.675) 2.698 3.045 ( 0.103 0.000 -2.710) 2.712 3.095 ( 0.849 0.000 7.491) 7.539 3.150 ( 1.185 0.000 -8.817) 8.896 3.219 ( -2.892 0.000 -1.662) 3.335 3.231 ( -0.133 0.000 -2.423) 2.427 3.464 ( -2.645 0.000 5.260) 5.888 3.521 ( 5.415 0.000 0.920) 5.492 3.698 ( 0.317 0.000 -2.064) 2.088 3.746 ( -0.396 0.000 -0.649) 0.760 3.828 ( -6.748 0.000 -2.872) 7.333 3.863 ( 1.546 0.000 1.750) 2.335 4.015 ( -1.119 0.000 -0.541) 1.244 4.119 ( -3.942 0.000 -2.874) 4.879 4.203 ( 1.492 0.000 -0.098) 1.495 4.211 ( 4.563 0.000 5.849) 7.418 4.434 ( 2.170 0.000 0.328) 2.195 4.488 ( -2.204 0.000 1.980) 2.963 4.490 ( 5.364 0.000 13.673) 14.687 4.546 ( -2.614 0.000 1.288) 2.914 4.696 ( 3.318 0.000 4.240) 5.384 4.738 ( -0.817 0.000 4.315) 4.391 4.742 ( 5.596 0.000 -3.088) 6.391 4.832 ( 3.335 0.000 -7.698) 8.390 4.964 ( 1.760 0.000 5.481) 5.757 5.144 ( -2.239 0.000 -7.376) 7.708 5.157 ( -1.118 0.000 -5.656) 5.766 5.270 ( 4.552 0.000 -4.557) 6.441 5.408 ( -7.067 0.000 0.167) 7.069 5.413 ( 4.485 0.000 -0.207) 4.490 5.489 ( 0.539 0.000 -0.382) 0.661 5.528 ( -3.695 0.000 7.582) 8.435 5.604 ( 0.369 0.000 2.103) 2.135 5.753 ( 6.305 0.000 -0.886) 6.367 5.816 ( -7.424 0.000 2.055) 7.704 5.882 ( -4.424 0.000 0.702) 4.479 5.933 ( -2.710 0.000 -11.606) 11.918 6.063 ( 6.263 0.000 -2.892) 6.899 6.125 ( -0.147 0.000 -0.838) 0.851 6.251 ( 5.318 0.000 -5.602) 7.724 6.475 ( -5.066 0.000 7.774) 9.279 6.632 ( -4.615 0.000 5.222) 6.969 6.677 ( 1.453 0.000 8.202) 8.330 7.021 ( 4.113 0.000 1.242) 4.297 7.036 ( -11.785 0.000 -5.405) 12.965 7.093 ( 1.860 0.000 -2.361) 3.006 7.258 ( -0.865 0.000 4.234) 4.321 7.610 ( 0.837 0.000 2.531) 2.666 7.630 ( -9.185 0.000 -6.421) 11.207 7.776 ( 2.491 0.000 -5.356) 5.907 7.912 ( 6.782 0.000 2.995) 7.413 7.985 ( 0.017 0.000 3.034) 3.034 8.253 ( -4.007 0.000 1.080) 4.150 8.403 ( 11.890 0.000 2.653) 12.182 8.637 ( -2.105 0.000 -4.361) 4.843 8.830 ( -0.188 0.000 -8.187) 8.189 8.983 ( -8.189 0.000 0.130) 8.190 9.098 ( 0.558 0.000 -2.138) 2.209 9.190 ( 0.816 0.000 3.083) 3.189 9.220 ( -0.392 0.000 2.998) 3.024 9.384 ( -12.222 0.000 -2.053) 12.393 9.477 ( -3.773 0.000 -3.314) 5.022 9.630 ( 14.169 0.000 5.985) 15.381 9.746 ( 4.515 0.000 6.190) 7.662 10.095 ( -0.987 0.000 7.271) 7.338 10.179 ( -3.118 0.000 0.599) 3.175 10.456 ( -1.973 0.000 -5.386) 5.736 10.639 ( 3.991 0.000 -10.030) 10.794 10.777 ( 5.730 0.000 11.377) 12.739 10.839 ( -3.123 0.000 -0.330) 3.140 11.005 ( -2.790 0.000 -6.634) 7.197 11.319 ( 2.012 0.000 -5.069) 5.454 11.408 ( 0.285 0.000 14.682) 14.684 11.466 ( 7.135 0.000 9.145) 11.599 11.693 ( 5.503 0.000 3.947) 6.772 12.042 ( 6.158 0.000 -2.478) 6.638 12.106 ( -11.870 0.000 -5.924) 13.266 12.168 ( -0.164 0.000 -11.198) 11.199 12.174 ( -9.337 0.000 -2.241) 9.603 12.411 ( 1.573 0.000 -3.123) 3.497 12.518 ( -0.565 0.000 -2.873) 2.928 12.531 ( 14.885 0.000 -2.208) 15.048 12.642 ( -4.339 0.000 3.687) 5.693 12.740 ( 10.786 0.000 -0.416) 10.794 12.883 ( 10.489 0.000 1.402) 10.582 13.001 ( -8.882 0.000 -6.768) 11.167 13.120 ( 4.131 0.000 2.353) 4.754 13.201 ( -1.258 0.000 -0.148) 1.267 13.362 ( 2.898 0.000 10.948) 11.325 13.446 ( 3.001 0.000 -0.439) 3.033 13.546 ( -2.418 0.000 0.754) 2.533 13.699 ( 0.385 0.000 5.119) 5.134 13.796 ( -3.192 0.000 1.695) 3.614 13.886 ( 2.805 0.000 -3.798) 4.722 14.089 ( -6.626 0.000 -5.658) 8.712 14.119 ( -0.869 0.000 -0.827) 1.199 14.351 ( 1.205 0.000 1.413) 1.857 14.445 ( 3.170 0.000 -0.627) 3.232 14.587 ( -0.435 0.000 -0.548) 0.700 14.698 ( -17.342 0.000 4.216) 17.847 14.886 ( -1.960 0.000 4.132) 4.573 14.967 ( -10.992 0.000 -4.051) 11.714 15.084 ( 1.728 0.000 1.013) 2.003 15.155 ( -3.422 0.000 6.485) 7.332 15.258 ( 2.324 0.000 -5.380) 5.860 15.392 ( 2.883 0.000 -1.133) 3.098 17.183 ( 0.618 0.000 0.095) 0.625 17.207 ( -0.929 0.000 -0.765) 1.203 17.945 ( 3.060 0.000 2.009) 3.660 18.119 ( -7.143 0.000 -5.377) 8.941 18.607 ( 8.475 0.000 10.154) 13.226 19.142 ( -7.720 0.000 -11.410) 13.776 19.779 ( 7.487 0.000 5.524) 9.304 19.923 ( -3.884 0.000 -1.059) 4.026 20.949 ( -4.395 0.000 4.072) 5.992 21.296 ( -5.245 0.000 -9.331) 10.704 22.258 ( 2.734 0.000 12.635) 12.928 22.813 ( -1.320 0.000 -8.073) 8.181 24.707 ( 5.772 0.000 -1.965) 6.097 24.727 ( -14.814 0.000 -3.643) 15.255 24.987 ( 0.339 0.000 4.934) 4.945 25.161 ( -2.271 0.000 -2.038) 3.051 25.582 ( 0.843 0.000 2.075) 2.239 25.815 ( 6.587 0.000 -8.099) 10.440 26.239 ( 4.673 0.000 9.583) 10.662 26.458 ( 1.483 0.000 0.139) 1.490 26.597 ( -11.138 0.000 0.481) 11.149 26.636 ( 1.323 0.000 -0.872) 1.584 26.767 ( -2.050 0.000 -0.062) 2.051 26.893 ( -4.043 0.000 -4.181) 5.817 27.108 ( -11.172 0.000 2.904) 11.543 27.260 ( 3.944 0.000 -3.397) 5.205 27.416 ( -0.889 0.000 0.071) 0.892 27.515 ( -3.827 0.000 -2.483) 4.562 27.530 ( 1.315 0.000 4.464) 4.654 27.740 ( -1.467 0.000 -3.490) 3.786 27.926 ( 2.753 0.000 2.116) 3.472 27.950 ( -2.142 0.000 0.685) 2.248 28.923 ( -0.477 0.000 1.589) 1.659 28.939 ( 0.686 0.000 1.542) 1.688 29.227 ( -2.111 0.000 -1.804) 2.777 29.288 ( 7.727 0.000 -5.705) 9.604 29.605 ( 40.494 0.000 4.718) 40.768 29.683 ( -6.685 0.000 0.145) 6.686 29.859 ( -2.008 0.000 2.239) 3.007 30.008 ( -0.942 0.000 -4.295) 4.397 30.463 ( -0.900 0.000 3.202) 3.326 30.563 ( 0.498 0.000 -1.149) 1.252 31.508 ( 3.584 0.000 2.867) 4.590 31.658 ( -16.285 0.000 -2.298) 16.446 31.723 ( -1.151 0.000 5.170) 5.297 32.016 ( -1.712 0.000 -4.903) 5.193 33.987 ( -1.414 0.000 5.059) 5.253 34.268 ( 11.339 0.000 -4.733) 12.287 ======================= Grid point 36 (14/44) ======================= q-point: ( 0.20 0.00 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -14.829 0.000 25.419) 29.429 0.808 ( 4.505 0.000 14.626) 15.305 0.916 ( -0.847 0.000 -1.814) 2.002 1.059 ( -7.336 0.000 -6.458) 9.774 1.099 ( 3.283 0.000 22.761) 22.996 1.182 ( -2.672 0.000 -6.127) 6.684 1.315 ( 0.514 0.000 -10.034) 10.047 1.417 ( -4.722 0.000 3.726) 6.015 1.511 ( -9.318 0.000 -4.249) 10.241 1.542 ( 6.701 0.000 4.184) 7.900 1.681 ( 4.154 0.000 0.398) 4.173 1.814 ( -0.999 0.000 -2.188) 2.406 1.855 ( -1.883 0.000 2.281) 2.958 2.005 ( -8.897 0.000 -2.405) 9.217 2.105 ( 5.180 0.000 -11.938) 13.013 2.168 ( 0.126 0.000 -3.818) 3.820 2.195 ( 2.086 0.000 1.962) 2.863 2.282 ( 1.204 0.000 -7.563) 7.658 2.365 ( -0.336 0.000 -2.326) 2.350 2.446 ( 8.325 0.000 -5.151) 9.790 2.627 ( -4.921 0.000 3.475) 6.024 2.653 ( -2.683 0.000 4.771) 5.474 2.702 ( -0.693 0.000 -3.090) 3.167 2.753 ( 2.998 0.000 -6.603) 7.252 2.889 ( -1.868 0.000 2.403) 3.043 2.928 ( -2.520 0.000 -1.359) 2.863 2.961 ( -5.036 0.000 -4.256) 6.594 2.993 ( -2.756 0.000 6.840) 7.374 3.126 ( 3.288 0.000 -5.115) 6.081 3.177 ( 1.562 0.000 1.972) 2.516 3.244 ( 6.185 0.000 5.030) 7.972 3.248 ( 4.106 0.000 -4.768) 6.292 3.455 ( -3.279 0.000 4.565) 5.621 3.593 ( 1.117 0.000 -1.865) 2.174 3.698 ( -2.498 0.000 -1.911) 3.146 3.724 ( 1.239 0.000 5.718) 5.851 3.737 ( -0.206 0.000 1.278) 1.295 3.876 ( 1.702 0.000 -3.246) 3.666 3.941 ( -8.576 0.000 -4.672) 9.766 4.026 ( -1.273 0.000 6.077) 6.209 4.174 ( -5.238 0.000 0.574) 5.270 4.324 ( 4.175 0.000 1.686) 4.503 4.430 ( -7.127 0.000 2.562) 7.573 4.431 ( 0.415 0.000 -2.748) 2.780 4.547 ( 1.152 0.000 1.531) 1.916 4.668 ( -1.261 0.000 -8.787) 8.877 4.674 ( 0.889 0.000 6.138) 6.202 4.778 ( 4.508 0.000 -2.468) 5.139 4.891 ( 2.472 0.000 2.959) 3.855 4.903 ( 3.351 0.000 4.765) 5.825 5.046 ( 0.203 0.000 3.679) 3.685 5.061 ( -0.036 0.000 -9.261) 9.261 5.085 ( 4.362 0.000 -1.971) 4.787 5.242 ( 0.531 0.000 -8.026) 8.043 5.284 ( -2.986 0.000 0.029) 2.986 5.417 ( -4.234 0.000 3.379) 5.417 5.524 ( -1.704 0.000 7.119) 7.320 5.558 ( -0.014 0.000 2.831) 2.831 5.647 ( -1.780 0.000 -5.325) 5.615 5.713 ( 3.634 0.000 -1.507) 3.934 5.794 ( 2.541 0.000 1.327) 2.867 5.810 ( -2.709 0.000 -2.929) 3.989 5.927 ( 4.922 0.000 -0.992) 5.021 6.101 ( -0.204 0.000 -2.317) 2.326 6.168 ( 8.871 0.000 -4.468) 9.933 6.364 ( 10.230 0.000 -6.245) 11.985 6.510 ( -2.852 0.000 12.336) 12.661 6.632 ( 0.092 0.000 3.572) 3.574 6.819 ( 3.671 0.000 8.394) 9.162 6.849 ( -4.593 0.000 -2.992) 5.481 7.051 ( -4.774 0.000 -3.653) 6.011 7.123 ( 5.512 0.000 1.804) 5.800 7.294 ( -1.837 0.000 7.382) 7.607 7.368 ( -10.441 0.000 -1.606) 10.564 7.633 ( -3.399 0.000 2.056) 3.973 7.706 ( -0.449 0.000 -6.933) 6.947 7.956 ( -3.087 0.000 1.336) 3.363 7.972 ( -3.850 0.000 1.403) 4.098 8.089 ( -13.173 0.000 -2.776) 13.462 8.599 ( 3.098 0.000 1.463) 3.426 8.633 ( 8.423 0.000 -5.060) 9.826 8.682 ( -2.775 0.000 -5.322) 6.002 8.858 ( -6.574 0.000 2.336) 6.976 9.174 ( 5.435 0.000 1.218) 5.570 9.201 ( -6.304 0.000 4.424) 7.701 9.225 ( -2.623 0.000 3.320) 4.231 9.246 ( 1.973 0.000 -0.315) 1.998 9.538 ( 8.257 0.000 2.063) 8.511 9.804 ( -0.231 0.000 -1.810) 1.824 9.856 ( 6.230 0.000 -1.368) 6.379 10.142 ( -2.848 0.000 6.064) 6.700 10.201 ( 3.733 0.000 1.676) 4.092 10.451 ( 6.896 0.000 -2.144) 7.222 10.592 ( 2.088 0.000 -8.052) 8.318 10.851 ( 0.761 0.000 3.621) 3.700 10.920 ( -0.415 0.000 -3.224) 3.251 11.088 ( 12.509 0.000 13.291) 18.252 11.129 ( -5.641 0.000 -12.235) 13.473 11.511 ( -7.044 0.000 12.025) 13.936 11.658 ( 3.297 0.000 3.053) 4.494 11.742 ( 2.515 0.000 -9.714) 10.034 11.874 ( -13.074 0.000 -4.458) 13.813 11.897 ( -8.093 0.000 1.597) 8.249 12.029 ( -7.794 0.000 9.838) 12.551 12.133 ( 3.491 0.000 -7.881) 8.620 12.426 ( 0.731 0.000 -4.117) 4.181 12.518 ( 4.761 0.000 -3.295) 5.790 12.581 ( -2.288 0.000 0.486) 2.339 12.650 ( 6.915 0.000 -5.190) 8.646 12.817 ( -4.393 0.000 -2.944) 5.288 12.942 ( 8.714 0.000 -1.934) 8.926 12.998 ( 3.818 0.000 1.193) 4.000 13.157 ( -1.657 0.000 0.067) 1.658 13.200 ( 1.045 0.000 -0.186) 1.062 13.486 ( -0.413 0.000 -1.317) 1.380 13.544 ( 5.158 0.000 -0.650) 5.199 13.578 ( -8.797 0.000 -5.586) 10.420 13.582 ( 3.438 0.000 3.043) 4.592 13.840 ( 4.246 0.000 10.892) 11.690 13.909 ( -1.760 0.000 -3.202) 3.654 13.957 ( 1.605 0.000 -6.423) 6.620 14.209 ( 10.305 0.000 2.917) 10.710 14.291 ( -4.960 0.000 -2.722) 5.657 14.385 ( -18.145 0.000 3.144) 18.415 14.569 ( 7.806 0.000 2.585) 8.223 14.726 ( 6.854 0.000 8.668) 11.051 14.879 ( -2.457 0.000 2.169) 3.277 14.902 ( -1.489 0.000 0.638) 1.620 15.108 ( -2.119 0.000 3.441) 4.041 15.160 ( -2.248 0.000 3.116) 3.843 15.243 ( 2.831 0.000 -6.794) 7.360 15.426 ( 2.752 0.000 -0.885) 2.890 17.162 ( -2.675 0.000 -0.452) 2.713 17.193 ( 0.151 0.000 0.356) 0.386 17.981 ( -2.691 0.000 -2.986) 4.019 18.089 ( 8.459 0.000 4.610) 9.634 18.846 ( -10.081 0.000 -11.406) 15.223 18.883 ( 8.830 0.000 9.970) 13.318 19.764 ( -9.710 0.000 -3.091) 10.190 19.928 ( 3.112 0.000 2.833) 4.208 21.067 ( 6.189 0.000 8.436) 10.463 21.136 ( -1.628 0.000 -6.302) 6.509 22.442 ( 1.796 0.000 10.989) 11.135 22.653 ( -4.175 0.000 -9.552) 10.425 24.464 ( -12.013 0.000 2.426) 12.255 24.769 ( 0.621 0.000 0.940) 1.126 25.005 ( -3.674 0.000 7.034) 7.936 25.118 ( 2.022 0.000 -4.203) 4.664 25.606 ( -1.424 0.000 2.812) 3.152 25.802 ( 3.638 0.000 -9.755) 10.411 26.298 ( -4.368 0.000 6.754) 8.044 26.453 ( -0.701 0.000 -2.548) 2.642 26.575 ( 2.650 0.000 1.986) 3.311 26.690 ( 3.948 0.000 0.552) 3.986 26.743 ( -1.617 0.000 3.960) 4.277 26.795 ( -2.086 0.000 -2.294) 3.101 27.104 ( 1.268 0.000 3.583) 3.801 27.318 ( 5.539 0.000 -1.745) 5.808 27.413 ( -0.147 0.000 1.247) 1.256 27.489 ( 1.154 0.000 -0.079) 1.157 27.594 ( -0.214 0.000 4.453) 4.458 27.641 ( -4.213 0.000 -4.722) 6.329 27.918 ( -1.695 0.000 -0.218) 1.709 28.015 ( 4.306 0.000 1.542) 4.574 28.924 ( -0.969 0.000 1.134) 1.492 28.987 ( 1.987 0.000 0.595) 2.075 29.145 ( -4.806 0.000 -2.796) 5.561 29.251 ( -0.597 0.000 -2.925) 2.985 29.484 ( -8.069 0.000 -3.389) 8.752 29.903 ( 1.292 0.000 -8.582) 8.679 29.924 ( 3.773 0.000 2.075) 4.306 30.105 ( 7.135 0.000 3.740) 8.056 30.546 ( -0.939 0.000 -1.052) 1.410 30.630 ( 19.475 0.000 -11.019) 22.376 31.464 ( -6.928 0.000 3.356) 7.698 31.645 ( 5.762 0.000 5.567) 8.012 31.780 ( -1.362 0.000 7.663) 7.783 31.915 ( -2.556 0.000 -5.917) 6.445 33.969 ( -5.582 0.000 3.302) 6.485 34.220 ( -4.687 0.000 -5.020) 6.868 ======================= Grid point 37 (15/44) ======================= q-point: (-0.60 0.00 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -9.324 0.000 10.620) 14.132 0.830 ( -11.047 0.000 -6.263) 12.698 0.934 ( -2.991 0.000 6.813) 7.441 1.001 ( 4.621 0.000 5.898) 7.492 1.014 ( -7.254 0.000 -0.367) 7.264 1.161 ( -4.839 0.000 5.855) 7.596 1.202 ( 5.248 0.000 -12.380) 13.447 1.418 ( 1.858 0.000 0.099) 1.861 1.560 ( -2.450 0.000 -3.379) 4.174 1.591 ( 0.144 0.000 17.224) 17.225 1.754 ( 2.780 0.000 1.811) 3.318 1.844 ( -2.861 0.000 2.408) 3.739 1.844 ( 2.776 0.000 -0.657) 2.853 1.870 ( -6.337 0.000 2.293) 6.739 2.135 ( 0.339 0.000 -2.119) 2.145 2.176 ( 2.348 0.000 0.371) 2.377 2.254 ( 6.200 0.000 2.542) 6.701 2.317 ( 9.099 0.000 0.868) 9.140 2.355 ( -1.814 0.000 3.639) 4.066 2.495 ( 0.415 0.000 -7.574) 7.586 2.575 ( -1.555 0.000 1.255) 1.998 2.648 ( 2.563 0.000 6.181) 6.691 2.700 ( 0.835 0.000 0.424) 0.937 2.802 ( 3.064 0.000 -1.329) 3.340 2.816 ( 0.592 0.000 -6.408) 6.435 2.863 ( -1.921 0.000 -3.773) 4.234 2.865 ( -1.668 0.000 -1.570) 2.291 3.015 ( -2.130 0.000 5.737) 6.119 3.109 ( 0.499 0.000 -4.908) 4.933 3.208 ( 0.028 0.000 2.264) 2.264 3.312 ( 3.595 0.000 0.493) 3.629 3.329 ( -0.042 0.000 1.518) 1.518 3.482 ( -1.448 0.000 4.349) 4.584 3.557 ( -2.976 0.000 -5.789) 6.508 3.564 ( -2.377 0.000 -1.448) 2.784 3.782 ( 0.636 0.000 3.813) 3.865 3.835 ( -1.983 0.000 2.574) 3.249 3.891 ( 5.508 0.000 1.855) 5.812 3.894 ( 4.137 0.000 5.110) 6.575 4.042 ( -6.588 0.000 -1.055) 6.672 4.106 ( -1.072 0.000 8.810) 8.875 4.345 ( -4.385 0.000 1.561) 4.654 4.403 ( 1.320 0.000 -4.481) 4.672 4.413 ( 3.423 0.000 2.089) 4.010 4.504 ( -4.109 0.000 -2.955) 5.061 4.641 ( 4.709 0.000 -3.423) 5.822 4.658 ( -3.882 0.000 -3.708) 5.369 4.803 ( 1.321 0.000 -4.200) 4.402 4.865 ( -1.772 0.000 -1.775) 2.508 4.964 ( 5.853 0.000 -11.248) 12.679 5.016 ( -1.795 0.000 6.217) 6.471 5.037 ( -3.055 0.000 1.468) 3.389 5.179 ( 2.414 0.000 -6.647) 7.072 5.183 ( 2.218 0.000 3.660) 4.280 5.331 ( 2.931 0.000 4.465) 5.341 5.362 ( -3.835 0.000 -0.265) 3.844 5.492 ( -6.229 0.000 5.447) 8.275 5.528 ( 1.519 0.000 -10.449) 10.559 5.608 ( -0.541 0.000 -0.031) 0.541 5.752 ( 1.314 0.000 -6.652) 6.780 5.773 ( 2.064 0.000 3.208) 3.815 5.904 ( 3.658 0.000 5.568) 6.662 5.971 ( 0.384 0.000 0.711) 0.808 6.091 ( 1.905 0.000 -1.631) 2.508 6.319 ( 10.839 0.000 0.660) 10.859 6.421 ( 2.963 0.000 -8.973) 9.450 6.575 ( -5.368 0.000 10.639) 11.916 6.691 ( 4.210 0.000 -2.587) 4.941 6.803 ( 1.343 0.000 3.038) 3.321 6.897 ( -3.559 0.000 3.848) 5.241 6.927 ( -4.991 0.000 4.396) 6.651 7.214 ( 0.087 0.000 1.341) 1.344 7.260 ( -1.138 0.000 -2.939) 3.152 7.406 ( 0.258 0.000 4.913) 4.920 7.422 ( -11.561 0.000 -0.493) 11.572 7.649 ( 0.639 0.000 -3.876) 3.928 7.870 ( -5.820 0.000 1.369) 5.979 7.894 ( -2.969 0.000 -1.453) 3.305 7.936 ( 1.049 0.000 -4.687) 4.802 8.532 ( -0.950 0.000 -13.740) 13.773 8.689 ( 3.147 0.000 4.575) 5.553 8.767 ( 7.659 0.000 2.545) 8.070 8.854 ( -0.958 0.000 9.366) 9.414 9.136 ( -6.668 0.000 1.851) 6.920 9.241 ( 1.254 0.000 -4.575) 4.743 9.247 ( -0.076 0.000 -0.684) 0.688 9.252 ( -2.142 0.000 8.186) 8.462 9.664 ( 0.357 0.000 -2.506) 2.531 9.764 ( 0.178 0.000 -3.160) 3.165 9.872 ( 4.180 0.000 -4.445) 6.101 10.134 ( -4.033 0.000 5.282) 6.646 10.271 ( 1.284 0.000 -1.163) 1.733 10.569 ( 4.140 0.000 -2.788) 4.991 10.580 ( 5.310 0.000 0.456) 5.329 10.891 ( -2.401 0.000 0.208) 2.410 10.934 ( 2.569 0.000 2.456) 3.554 11.046 ( 7.881 0.000 0.984) 7.942 11.357 ( -3.036 0.000 -4.039) 5.053 11.401 ( -9.279 0.000 -1.887) 9.469 11.443 ( -4.090 0.000 -5.621) 6.952 11.685 ( -0.172 0.000 -5.385) 5.388 11.752 ( -3.758 0.000 -3.262) 4.976 11.799 ( -5.582 0.000 2.663) 6.185 12.080 ( -1.961 0.000 12.783) 12.933 12.138 ( 2.415 0.000 -3.690) 4.410 12.359 ( 1.611 0.000 0.660) 1.741 12.543 ( 1.126 0.000 -3.395) 3.577 12.615 ( 2.688 0.000 1.039) 2.882 12.694 ( 4.658 0.000 -5.282) 7.043 12.839 ( 5.360 0.000 1.387) 5.537 12.985 ( -1.823 0.000 -6.422) 6.676 13.049 ( 1.042 0.000 4.809) 4.921 13.143 ( -0.284 0.000 1.325) 1.356 13.218 ( 0.340 0.000 2.019) 2.047 13.411 ( -0.307 0.000 5.269) 5.278 13.523 ( -0.310 0.000 -10.733) 10.738 13.528 ( 3.027 0.000 -6.211) 6.910 13.667 ( 3.001 0.000 1.534) 3.370 13.821 ( -4.097 0.000 -2.191) 4.646 13.891 ( -1.125 0.000 -3.976) 4.132 14.095 ( 5.072 0.000 11.520) 12.587 14.155 ( -7.934 0.000 1.924) 8.164 14.180 ( -3.119 0.000 -3.627) 4.784 14.418 ( 7.579 0.000 2.680) 8.039 14.704 ( 3.825 0.000 1.116) 3.984 14.835 ( -2.542 0.000 -0.905) 2.698 14.896 ( -1.614 0.000 9.913) 10.043 14.899 ( 0.369 0.000 2.219) 2.250 15.086 ( -4.685 0.000 5.064) 6.899 15.146 ( -1.004 0.000 1.034) 1.441 15.231 ( 3.862 0.000 -5.508) 6.727 15.470 ( 2.948 0.000 -0.828) 3.062 17.132 ( -0.746 0.000 1.254) 1.459 17.195 ( -0.257 0.000 0.094) 0.273 17.961 ( 1.638 0.000 0.569) 1.734 18.230 ( -0.739 0.000 -0.690) 1.011 18.677 ( 4.438 0.000 -1.176) 4.591 19.034 ( -2.930 0.000 2.887) 4.114 19.616 ( -1.519 0.000 0.067) 1.520 19.932 ( -2.279 0.000 -3.090) 3.840 21.137 ( 4.354 0.000 1.482) 4.599 21.217 ( -0.282 0.000 6.375) 6.381 22.498 ( -5.573 0.000 4.818) 7.367 22.550 ( 3.517 0.000 -5.623) 6.632 24.324 ( -7.205 0.000 1.911) 7.454 24.732 ( -2.985 0.000 -2.600) 3.958 25.009 ( -4.081 0.000 6.557) 7.724 25.155 ( 5.527 0.000 -2.833) 6.211 25.589 ( -3.336 0.000 2.295) 4.049 25.772 ( 4.140 0.000 -8.161) 9.151 26.289 ( -3.793 0.000 4.339) 5.763 26.401 ( 0.432 0.000 -5.255) 5.273 26.631 ( 1.907 0.000 1.203) 2.255 26.745 ( 0.757 0.000 0.387) 0.850 26.780 ( 1.145 0.000 1.363) 1.780 26.803 ( -0.579 0.000 11.056) 11.071 27.115 ( -1.967 0.000 -2.993) 3.582 27.380 ( 2.442 0.000 -1.346) 2.788 27.440 ( -0.104 0.000 2.810) 2.812 27.484 ( -1.694 0.000 -4.057) 4.397 27.584 ( 2.838 0.000 1.501) 3.211 27.604 ( -2.866 0.000 2.713) 3.947 27.894 ( -0.455 0.000 -0.195) 0.495 28.056 ( -0.547 0.000 -2.957) 3.008 28.913 ( -1.564 0.000 0.325) 1.598 28.988 ( -0.373 0.000 -2.896) 2.920 29.067 ( 2.048 0.000 -0.253) 2.064 29.260 ( 2.055 0.000 2.018) 2.880 29.411 ( 0.555 0.000 0.688) 0.884 29.805 ( -0.828 0.000 -10.671) 10.703 30.001 ( 1.653 0.000 2.835) 3.281 30.184 ( -2.275 0.000 5.610) 6.054 30.520 ( -0.557 0.000 -0.629) 0.841 30.795 ( 15.011 0.000 -16.678) 22.439 31.450 ( 0.406 0.000 4.112) 4.132 31.698 ( -3.899 0.000 -3.127) 4.998 31.838 ( -2.705 0.000 10.925) 11.255 31.910 ( 4.941 0.000 4.324) 6.566 33.888 ( -4.016 0.000 -0.336) 4.030 34.072 ( -4.717 0.000 -7.051) 8.484 ======================= Grid point 38 (16/44) ======================= q-point: (-0.40 0.00 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -12.266 0.000 3.036) 12.636 0.594 ( -12.432 0.000 3.559) 12.931 0.834 ( -22.098 0.000 26.381) 34.413 0.965 ( 1.864 0.000 -2.819) 3.380 1.133 ( 7.540 0.000 0.483) 7.555 1.203 ( -0.349 0.000 -0.277) 0.445 1.227 ( 5.457 0.000 -6.533) 8.512 1.474 ( -1.330 0.000 -7.605) 7.721 1.509 ( 4.960 0.000 3.265) 5.938 1.744 ( -5.280 0.000 4.828) 7.154 1.749 ( 6.561 0.000 8.632) 10.843 1.798 ( -4.297 0.000 1.169) 4.453 1.810 ( 2.843 0.000 -4.670) 5.468 1.947 ( 5.326 0.000 1.004) 5.419 2.113 ( 3.548 0.000 -5.715) 6.727 2.242 ( 7.329 0.000 -7.508) 10.492 2.317 ( 0.864 0.000 -1.190) 1.471 2.403 ( -1.004 0.000 -0.081) 1.007 2.469 ( 3.557 0.000 11.729) 12.257 2.510 ( 4.434 0.000 5.888) 7.371 2.678 ( 4.616 0.000 3.889) 6.036 2.684 ( -3.558 0.000 -0.606) 3.609 2.733 ( 2.591 0.000 -2.203) 3.401 2.741 ( -2.822 0.000 0.405) 2.851 2.811 ( -1.850 0.000 0.969) 2.089 2.815 ( 5.598 0.000 -3.222) 6.459 2.950 ( 7.587 0.000 -0.642) 7.614 3.003 ( -0.186 0.000 -6.007) 6.010 3.064 ( -3.205 0.000 0.591) 3.259 3.223 ( -2.315 0.000 0.439) 2.357 3.322 ( -1.488 0.000 1.682) 2.246 3.347 ( 0.911 0.000 3.752) 3.861 3.439 ( -2.305 0.000 1.425) 2.710 3.508 ( -0.783 0.000 0.921) 1.208 3.662 ( 8.916 0.000 5.401) 10.425 3.718 ( -9.880 0.000 -8.749) 13.197 3.799 ( -0.456 0.000 0.618) 0.768 3.852 ( -4.291 0.000 1.383) 4.508 4.063 ( 4.583 0.000 3.474) 5.750 4.075 ( 4.270 0.000 2.112) 4.764 4.174 ( -1.699 0.000 7.794) 7.977 4.276 ( -6.137 0.000 -0.026) 6.137 4.389 ( 0.875 0.000 -3.385) 3.496 4.436 ( -0.611 0.000 4.599) 4.640 4.499 ( 3.792 0.000 -1.716) 4.163 4.521 ( -4.779 0.000 -5.431) 7.235 4.686 ( 3.047 0.000 -1.779) 3.528 4.716 ( -5.100 0.000 -2.932) 5.883 4.818 ( -1.089 0.000 -3.318) 3.492 4.940 ( 3.215 0.000 -10.013) 10.516 4.979 ( -4.885 0.000 0.514) 4.912 5.069 ( 2.400 0.000 5.822) 6.297 5.199 ( 5.441 0.000 -4.868) 7.301 5.258 ( 3.654 0.000 -0.178) 3.658 5.289 ( -2.671 0.000 -1.635) 3.131 5.310 ( -3.387 0.000 0.941) 3.516 5.462 ( -3.427 0.000 5.474) 6.458 5.556 ( -0.559 0.000 -4.025) 4.063 5.610 ( 11.817 0.000 -4.093) 12.506 5.675 ( 0.527 0.000 -5.659) 5.683 5.905 ( -2.628 0.000 14.026) 14.270 5.949 ( -3.817 0.000 -0.005) 3.817 6.023 ( 4.879 0.000 4.508) 6.643 6.142 ( 4.866 0.000 0.927) 4.953 6.246 ( -5.735 0.000 -12.848) 14.070 6.466 ( -15.669 0.000 1.935) 15.788 6.507 ( 6.398 0.000 2.209) 6.768 6.709 ( 0.722 0.000 -5.205) 5.255 6.807 ( -9.991 0.000 4.428) 10.928 6.937 ( 2.836 0.000 4.734) 5.518 7.053 ( 14.423 0.000 9.505) 17.274 7.069 ( -7.082 0.000 -7.133) 10.051 7.226 ( -1.843 0.000 1.626) 2.458 7.249 ( 1.049 0.000 2.429) 2.646 7.576 ( 1.602 0.000 2.461) 2.936 7.650 ( 2.960 0.000 -2.871) 4.124 7.839 ( -0.167 0.000 -3.034) 3.039 7.849 ( 1.204 0.000 1.305) 1.776 8.013 ( 10.116 0.000 2.241) 10.362 8.327 ( -3.016 0.000 -15.628) 15.917 8.857 ( 6.991 0.000 9.090) 11.468 8.892 ( -4.353 0.000 5.541) 7.047 8.976 ( 4.300 0.000 -0.224) 4.306 9.056 ( 0.463 0.000 7.230) 7.245 9.116 ( -6.962 0.000 -6.689) 9.654 9.214 ( -1.430 0.000 -4.351) 4.580 9.315 ( 0.104 0.000 10.156) 10.156 9.524 ( -6.121 0.000 -6.106) 8.646 9.721 ( -3.232 0.000 -1.641) 3.625 9.888 ( -0.448 0.000 -4.207) 4.230 10.125 ( -3.037 0.000 2.753) 4.099 10.254 ( -0.193 0.000 -1.129) 1.145 10.609 ( -2.114 0.000 2.366) 3.173 10.686 ( 5.330 0.000 1.961) 5.679 10.841 ( 1.326 0.000 1.410) 1.936 10.924 ( -16.047 0.000 -11.641) 19.825 11.053 ( 3.148 0.000 6.521) 7.241 11.207 ( -6.991 0.000 -6.613) 9.623 11.331 ( 12.577 0.000 10.202) 16.195 11.513 ( -10.148 0.000 -11.072) 15.019 11.570 ( -4.193 0.000 -7.732) 8.796 11.639 ( 12.934 0.000 -0.357) 12.938 11.772 ( -1.709 0.000 4.457) 4.774 12.159 ( 7.144 0.000 -7.482) 10.345 12.206 ( 1.772 0.000 11.123) 11.264 12.459 ( 4.098 0.000 -0.086) 4.099 12.532 ( 0.510 0.000 -0.761) 0.916 12.690 ( -0.600 0.000 5.443) 5.476 12.696 ( 2.551 0.000 -9.123) 9.473 12.828 ( -6.746 0.000 -4.287) 7.993 12.921 ( 3.640 0.000 6.806) 7.718 13.062 ( -7.765 0.000 1.520) 7.912 13.226 ( 2.734 0.000 -2.311) 3.580 13.239 ( 3.934 0.000 3.227) 5.088 13.333 ( -6.526 0.000 -11.178) 12.943 13.478 ( 3.512 0.000 -7.130) 7.948 13.576 ( 4.315 0.000 5.337) 6.863 13.691 ( -1.750 0.000 1.057) 2.045 13.758 ( 0.665 0.000 0.645) 0.927 13.785 ( -2.400 0.000 -7.080) 7.475 14.110 ( -1.274 0.000 -1.697) 2.122 14.121 ( 2.439 0.000 1.488) 2.857 14.334 ( 5.331 0.000 10.621) 11.884 14.497 ( 0.675 0.000 -3.028) 3.102 14.727 ( -1.380 0.000 1.553) 2.078 14.757 ( -4.129 0.000 -0.758) 4.198 14.883 ( -7.058 0.000 5.913) 9.208 14.984 ( 4.669 0.000 6.049) 7.641 15.074 ( -2.868 0.000 4.444) 5.289 15.154 ( -1.284 0.000 3.064) 3.322 15.266 ( 5.183 0.000 -4.361) 6.774 15.504 ( 2.264 0.000 -1.444) 2.685 17.162 ( 1.715 0.000 2.042) 2.666 17.187 ( -0.378 0.000 -0.475) 0.607 18.045 ( 4.863 0.000 4.279) 6.478 18.081 ( -7.779 0.000 -4.377) 8.926 18.835 ( -14.562 0.000 -5.142) 15.443 18.937 ( 15.769 0.000 6.713) 17.138 19.725 ( 8.043 0.000 4.092) 9.024 19.808 ( -4.769 0.000 -7.050) 8.512 21.184 ( -8.177 0.000 4.757) 9.460 21.284 ( 6.751 0.000 5.338) 8.607 22.359 ( -11.568 0.000 -0.048) 11.568 22.658 ( 11.013 0.000 -1.674) 11.140 24.260 ( -4.578 0.000 8.705) 9.835 24.655 ( 0.778 0.000 -6.433) 6.480 24.995 ( -4.420 0.000 4.941) 6.629 25.214 ( 2.876 0.000 -1.313) 3.162 25.552 ( -2.388 0.000 1.402) 2.769 25.781 ( 5.487 0.000 -6.862) 8.786 26.236 ( -5.492 0.000 0.835) 5.555 26.383 ( 2.648 0.000 -3.118) 4.091 26.682 ( 2.148 0.000 1.986) 2.926 26.715 ( -2.329 0.000 -1.400) 2.717 26.865 ( 3.631 0.000 4.544) 5.817 26.969 ( -0.234 0.000 19.779) 19.781 26.985 ( -4.218 0.000 -4.795) 6.386 27.375 ( -1.935 0.000 -2.872) 3.463 27.416 ( -1.476 0.000 -3.122) 3.453 27.430 ( -0.503 0.000 -1.071) 1.183 27.557 ( -4.395 0.000 1.062) 4.521 27.682 ( 4.945 0.000 1.147) 5.076 27.903 ( 1.247 0.000 0.441) 1.323 27.957 ( -3.309 0.000 -5.028) 6.020 28.897 ( -0.097 0.000 0.290) 0.306 28.941 ( -0.997 0.000 -2.427) 2.624 29.189 ( 4.580 0.000 5.065) 6.829 29.329 ( 2.949 0.000 0.511) 2.992 29.483 ( 5.044 0.000 3.295) 6.025 29.636 ( -3.743 0.000 -15.506) 15.952 30.027 ( -3.511 0.000 4.718) 5.881 30.162 ( -4.226 0.000 1.714) 4.561 30.524 ( 1.508 0.000 -0.391) 1.558 30.801 ( 6.943 0.000 -19.587) 20.781 31.543 ( 4.747 0.000 3.159) 5.702 31.566 ( -4.878 0.000 -4.028) 6.326 31.940 ( -0.472 0.000 15.347) 15.354 32.035 ( 2.569 0.000 3.676) 4.484 33.862 ( 1.578 0.000 0.133) 1.584 33.900 ( -4.766 0.000 -9.380) 10.522 ======================= Grid point 39 (17/44) ======================= q-point: (-0.20 0.00 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( -10.674 0.000 18.527) 21.382 0.492 ( -12.175 0.000 18.729) 22.338 0.773 ( -20.171 0.000 32.076) 37.891 0.988 ( 3.903 0.000 -3.086) 4.976 1.146 ( -1.754 0.000 -2.912) 3.399 1.205 ( 2.810 0.000 -8.001) 8.480 1.247 ( 1.264 0.000 1.275) 1.795 1.374 ( 2.708 0.000 -7.606) 8.073 1.581 ( 1.196 0.000 0.750) 1.412 1.710 ( -4.827 0.000 4.693) 6.732 1.710 ( -5.948 0.000 0.866) 6.011 1.879 ( 9.391 0.000 -6.964) 11.692 2.022 ( 4.408 0.000 -3.224) 5.461 2.057 ( 15.730 0.000 8.046) 17.668 2.120 ( 2.081 0.000 -2.622) 3.347 2.248 ( 2.660 0.000 -7.376) 7.841 2.336 ( 2.983 0.000 -1.847) 3.509 2.414 ( -0.105 0.000 -1.213) 1.218 2.533 ( -4.181 0.000 -10.077) 10.910 2.581 ( -3.730 0.000 1.236) 3.929 2.598 ( -6.799 0.000 -4.577) 8.196 2.612 ( -1.325 0.000 -3.784) 4.009 2.729 ( 1.446 0.000 -0.848) 1.676 2.733 ( 4.078 0.000 1.400) 4.311 2.826 ( -3.873 0.000 -4.232) 5.737 2.900 ( 4.875 0.000 -1.766) 5.185 2.969 ( -2.386 0.000 0.329) 2.409 3.020 ( -0.154 0.000 6.890) 6.892 3.048 ( 3.770 0.000 -0.903) 3.877 3.166 ( -0.441 0.000 -1.125) 1.209 3.283 ( -4.827 0.000 -6.264) 7.908 3.371 ( -4.104 0.000 -1.767) 4.468 3.437 ( -1.734 0.000 7.409) 7.609 3.463 ( -2.050 0.000 -4.167) 4.643 3.610 ( 6.668 0.000 6.309) 9.180 3.733 ( -1.219 0.000 -2.009) 2.350 3.828 ( -1.838 0.000 2.871) 3.409 3.949 ( 6.593 0.000 7.458) 9.955 4.031 ( -3.895 0.000 -3.558) 5.275 4.094 ( -1.231 0.000 -4.330) 4.502 4.198 ( -1.708 0.000 0.272) 1.730 4.205 ( -1.950 0.000 1.430) 2.418 4.327 ( -4.435 0.000 5.802) 7.303 4.448 ( 0.037 0.000 -0.444) 0.445 4.506 ( -0.891 0.000 3.081) 3.207 4.526 ( 0.940 0.000 3.275) 3.407 4.642 ( -2.001 0.000 2.528) 3.224 4.705 ( -1.523 0.000 3.464) 3.784 4.751 ( 0.340 0.000 -6.544) 6.552 4.881 ( 4.374 0.000 -12.486) 13.230 4.919 ( -3.014 0.000 4.005) 5.012 5.196 ( 3.089 0.000 1.230) 3.325 5.213 ( 2.304 0.000 -2.795) 3.623 5.247 ( -0.567 0.000 -4.992) 5.024 5.302 ( 7.085 0.000 -1.631) 7.271 5.370 ( 3.836 0.000 4.538) 5.942 5.485 ( -2.374 0.000 8.282) 8.616 5.511 ( -0.045 0.000 -3.657) 3.658 5.625 ( 3.159 0.000 -5.663) 6.485 5.783 ( -2.573 0.000 -7.002) 7.460 5.845 ( 7.442 0.000 -1.116) 7.526 5.924 ( -6.611 0.000 7.473) 9.978 6.055 ( -12.465 0.000 -1.633) 12.572 6.083 ( -0.265 0.000 -4.996) 5.003 6.127 ( -4.408 0.000 3.370) 5.548 6.392 ( 7.580 0.000 5.678) 9.471 6.478 ( -4.147 0.000 -20.054) 20.478 6.646 ( -3.898 0.000 6.568) 7.637 6.672 ( -9.731 0.000 5.550) 11.202 6.978 ( 0.899 0.000 -2.472) 2.631 7.046 ( 3.825 0.000 1.635) 4.160 7.234 ( 0.063 0.000 1.913) 1.914 7.298 ( -2.973 0.000 -2.469) 3.864 7.483 ( 17.334 0.000 14.962) 22.898 7.586 ( -0.325 0.000 1.019) 1.070 7.666 ( 5.118 0.000 -1.762) 5.413 7.842 ( 2.432 0.000 -1.613) 2.918 7.916 ( 3.440 0.000 2.557) 4.286 8.208 ( 7.987 0.000 -8.281) 11.505 8.218 ( 5.871 0.000 3.497) 6.833 8.762 ( -7.112 0.000 -2.380) 7.500 8.902 ( -2.866 0.000 -8.209) 8.695 9.026 ( -0.577 0.000 5.101) 5.134 9.121 ( 7.127 0.000 9.025) 11.500 9.146 ( -0.377 0.000 -4.079) 4.096 9.168 ( 0.290 0.000 4.124) 4.134 9.411 ( 0.628 0.000 -1.117) 1.281 9.510 ( 5.374 0.000 12.228) 13.357 9.608 ( -5.532 0.000 -2.788) 6.195 9.730 ( -11.631 0.000 -6.675) 13.410 10.069 ( -3.869 0.000 3.698) 5.352 10.251 ( -2.841 0.000 3.334) 4.381 10.591 ( -4.898 0.000 -3.736) 6.160 10.655 ( -3.318 0.000 4.092) 5.268 10.671 ( 1.530 0.000 -7.817) 7.965 10.973 ( -4.546 0.000 -2.021) 4.975 11.124 ( 6.802 0.000 10.774) 12.742 11.138 ( -2.880 0.000 -2.334) 3.707 11.299 ( 1.027 0.000 0.465) 1.127 11.319 ( -6.550 0.000 -3.143) 7.265 11.621 ( 0.603 0.000 5.449) 5.482 11.872 ( 13.687 0.000 -2.325) 13.883 11.929 ( 13.898 0.000 12.037) 18.386 12.205 ( 7.427 0.000 -9.328) 11.924 12.322 ( -1.226 0.000 3.500) 3.708 12.472 ( -0.430 0.000 -5.101) 5.119 12.529 ( -7.441 0.000 -10.464) 12.840 12.532 ( -0.487 0.000 1.894) 1.956 12.674 ( -5.716 0.000 5.805) 8.147 12.743 ( 1.141 0.000 -2.656) 2.891 12.817 ( -10.218 0.000 -6.995) 12.382 13.119 ( 5.940 0.000 7.702) 9.726 13.147 ( -4.843 0.000 -3.562) 6.012 13.207 ( -5.354 0.000 -5.694) 7.815 13.279 ( 1.520 0.000 2.731) 3.126 13.450 ( 0.983 0.000 -5.851) 5.933 13.640 ( -3.036 0.000 -5.549) 6.325 13.683 ( 4.311 0.000 4.646) 6.338 13.687 ( -2.738 0.000 1.033) 2.926 13.874 ( 5.691 0.000 2.204) 6.103 14.113 ( 0.420 0.000 2.553) 2.587 14.173 ( 0.308 0.000 0.737) 0.799 14.388 ( -4.089 0.000 -6.471) 7.655 14.451 ( 1.390 0.000 -1.330) 1.923 14.680 ( -4.499 0.000 -2.347) 5.075 14.743 ( 0.159 0.000 3.999) 4.002 14.856 ( -2.134 0.000 6.377) 6.725 15.067 ( -0.799 0.000 0.574) 0.984 15.153 ( -3.798 0.000 6.008) 7.108 15.160 ( 6.389 0.000 1.289) 6.518 15.306 ( 4.576 0.000 -3.623) 5.837 15.468 ( -3.342 0.000 -12.379) 12.822 17.177 ( 0.164 0.000 -0.571) 0.594 17.207 ( 1.171 0.000 0.339) 1.219 17.946 ( -3.429 0.000 -1.347) 3.684 18.194 ( 4.086 0.000 4.168) 5.836 18.538 ( -9.923 0.000 -2.825) 10.318 19.229 ( 8.350 0.000 0.622) 8.373 19.672 ( -0.999 0.000 -3.395) 3.539 19.893 ( 5.532 0.000 2.421) 6.038 21.091 ( -6.158 0.000 -0.644) 6.191 21.407 ( 1.715 0.000 -1.074) 2.024 22.186 ( -7.158 0.000 4.702) 8.564 22.816 ( 7.648 0.000 -3.070) 8.241 24.512 ( 16.531 0.000 27.949) 32.472 24.644 ( 5.134 0.000 -5.570) 7.576 24.956 ( -4.316 0.000 2.036) 4.772 25.214 ( -1.443 0.000 -0.908) 1.705 25.549 ( 0.503 0.000 1.159) 1.263 25.799 ( 3.822 0.000 -6.844) 7.839 26.139 ( -5.914 0.000 4.306) 7.316 26.417 ( 2.997 0.000 -0.714) 3.081 26.659 ( -1.941 0.000 -1.381) 2.382 26.741 ( 1.658 0.000 0.996) 1.934 26.812 ( -5.931 0.000 -5.086) 7.813 26.954 ( 0.222 0.000 2.396) 2.407 27.273 ( -0.495 0.000 -6.962) 6.980 27.312 ( -0.396 0.000 5.097) 5.113 27.407 ( 11.937 0.000 15.627) 19.664 27.430 ( 0.315 0.000 -0.478) 0.572 27.499 ( -2.770 0.000 2.135) 3.497 27.755 ( 2.801 0.000 -0.735) 2.896 27.893 ( -0.340 0.000 -0.493) 0.599 27.939 ( 1.388 0.000 2.212) 2.612 28.909 ( 0.234 0.000 1.278) 1.299 28.932 ( 2.432 0.000 2.061) 3.188 29.172 ( -16.778 0.000 -24.871) 30.001 29.256 ( -0.056 0.000 0.707) 0.709 29.414 ( -2.195 0.000 -1.049) 2.432 29.630 ( 5.748 0.000 3.832) 6.908 29.967 ( -9.172 0.000 4.734) 10.322 30.087 ( -3.363 0.000 -2.576) 4.237 30.552 ( 1.899 0.000 -0.825) 2.071 30.620 ( -5.535 0.000 -15.228) 16.202 31.478 ( -1.377 0.000 -1.093) 1.758 31.645 ( 3.214 0.000 2.477) 4.058 32.037 ( -4.365 0.000 -6.942) 8.200 32.066 ( -0.072 0.000 -1.335) 1.337 33.858 ( 9.208 0.000 12.853) 15.811 33.926 ( 2.551 0.000 3.400) 4.251 ======================= Grid point 40 (18/44) ======================= q-point: ( 0.00 0.14 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -2.796 10.116 18.379) 21.165 0.813 ( -11.641 8.249 20.525) 24.996 1.123 ( -1.391 27.525 6.339) 28.280 1.141 ( 1.005 9.059 -0.484) 9.128 1.259 ( 1.970 6.536 1.193) 6.930 1.324 ( -3.004 7.313 -2.416) 8.267 1.356 ( 5.586 12.058 0.349) 13.293 1.443 ( 6.530 5.442 -4.894) 9.808 1.593 ( -8.780 4.716 -4.642) 10.995 1.776 ( 3.709 7.285 -2.287) 8.488 1.874 ( -3.144 8.817 -2.320) 9.644 1.955 ( -0.976 -1.172 -8.972) 9.101 1.999 ( -8.272 4.519 -4.182) 10.312 2.035 ( 3.586 -2.254 -7.527) 8.637 2.109 ( 2.758 -0.841 -2.959) 4.132 2.195 ( 1.625 -2.250 -3.948) 4.827 2.287 ( -7.132 -2.992 -11.767) 14.081 2.343 ( 0.872 -0.619 0.223) 1.093 2.386 ( 4.963 -0.210 -8.274) 9.650 2.444 ( 1.270 2.756 -3.096) 4.336 2.567 ( 0.674 4.247 -1.209) 4.467 2.665 ( -4.835 0.846 -4.179) 6.446 2.692 ( -2.994 1.207 6.652) 7.394 2.834 ( 2.446 3.137 3.259) 5.143 2.864 ( -0.752 -2.689 4.909) 5.647 2.960 ( 5.744 3.283 2.814) 7.189 2.987 ( -2.549 4.715 0.685) 5.403 3.110 ( 1.496 3.345 -4.726) 5.980 3.176 ( -0.018 6.451 -0.968) 6.523 3.187 ( -0.290 4.667 1.698) 4.975 3.299 ( -0.049 7.965 2.532) 8.357 3.414 ( 2.770 14.785 -2.651) 15.274 3.522 ( -3.726 3.939 1.803) 5.714 3.576 ( 4.914 4.111 -3.745) 7.421 3.711 ( -4.102 1.926 -2.115) 5.001 3.786 ( -2.166 3.526 -0.064) 4.139 3.808 ( -2.682 0.204 -0.088) 2.692 3.957 ( -0.008 5.933 3.915) 7.108 4.018 ( 1.312 -0.441 -3.618) 3.874 4.113 ( -1.996 1.482 -1.797) 3.067 4.175 ( -1.650 -0.015 4.115) 4.433 4.290 ( -0.289 5.285 0.614) 5.328 4.425 ( 3.611 -1.323 5.013) 6.318 4.519 ( 0.761 4.395 9.221) 10.243 4.588 ( -1.439 7.668 2.303) 8.135 4.662 ( 0.003 0.466 1.521) 1.590 4.804 ( 2.827 6.760 -3.643) 8.183 4.858 ( 0.794 9.985 5.070) 11.226 4.924 ( 1.144 6.637 -3.041) 7.390 4.982 ( -1.078 9.423 -2.007) 9.694 5.027 ( 6.508 7.200 -2.964) 10.148 5.157 ( -1.023 2.265 -6.885) 7.320 5.253 ( 2.288 7.742 -5.800) 9.941 5.318 ( 3.033 2.931 -6.314) 7.593 5.365 ( -4.066 1.740 1.597) 4.702 5.499 ( 0.913 2.437 -2.601) 3.679 5.541 ( 0.485 2.832 5.501) 6.207 5.651 ( -2.050 12.169 -0.219) 12.342 5.669 ( 0.304 8.094 -2.371) 8.439 5.834 ( 3.894 3.173 -6.708) 8.381 5.866 ( -0.737 2.179 -3.458) 4.153 5.949 ( -1.055 10.077 3.817) 10.827 6.003 ( 3.700 7.341 -4.830) 9.535 6.148 ( -1.689 7.217 -2.782) 7.917 6.228 ( -1.910 4.398 -1.603) 5.056 6.286 ( 3.268 9.343 -2.918) 10.319 6.572 ( -0.448 8.243 -1.550) 8.399 6.627 ( -1.808 1.322 3.536) 4.185 6.747 ( -2.713 5.181 7.915) 9.841 7.008 ( 3.183 0.307 -0.963) 3.339 7.082 ( -7.574 2.736 -2.410) 8.406 7.107 ( -0.185 2.102 -5.058) 5.480 7.276 ( 0.057 1.829 4.557) 4.910 7.490 ( -7.531 -7.126 -1.259) 10.444 7.656 ( -2.178 0.132 0.913) 2.365 7.772 ( 3.034 0.275 -3.360) 4.535 7.926 ( 3.846 1.152 4.830) 6.280 8.021 ( 2.101 0.431 0.596) 2.226 8.101 ( 5.080 -7.500 7.280) 11.621 8.474 ( 1.365 2.765 -0.156) 3.088 8.631 ( -1.765 -1.515 -5.518) 5.988 8.770 ( -4.564 -5.240 -8.425) 10.921 8.971 ( -7.498 -3.054 0.651) 8.122 9.047 ( 2.639 -3.816 1.275) 4.812 9.100 ( 0.753 -7.396 2.164) 7.743 9.124 ( -0.104 -7.632 2.796) 8.128 9.416 ( -1.043 -0.856 -0.292) 1.380 9.538 ( -4.036 0.958 -3.933) 5.717 9.570 ( 3.477 -0.662 7.406) 8.209 9.766 ( 7.629 3.637 3.636) 9.200 10.063 ( -0.643 -3.196 3.617) 4.869 10.202 ( -4.358 1.575 0.292) 4.643 10.549 ( -1.238 4.174 -7.196) 8.411 10.626 ( 4.345 -0.791 -6.656) 7.988 10.737 ( 4.548 -2.686 4.284) 6.801 10.835 ( -4.239 -0.599 0.712) 4.340 10.945 ( -3.303 -3.872 -5.988) 7.859 11.206 ( -1.260 -8.597 -5.540) 10.305 11.361 ( 4.056 -3.214 13.938) 14.868 11.466 ( 8.519 -3.130 8.734) 12.595 11.593 ( 1.131 -8.959 4.040) 9.892 11.942 ( -7.680 -9.624 1.775) 12.440 12.052 ( 8.436 -0.113 -2.199) 8.719 12.082 ( -2.213 -5.640 -5.971) 8.507 12.141 ( -3.853 -7.541 -7.383) 11.235 12.289 ( 1.735 -9.864 -3.928) 10.758 12.421 ( -0.130 -6.439 -2.427) 6.882 12.476 ( 2.862 -2.098 -2.161) 4.155 12.648 ( 0.012 1.048 4.953) 5.063 12.776 ( 0.674 -0.784 -1.747) 2.030 12.838 ( 2.855 -2.682 4.305) 5.821 13.002 ( -7.961 -0.177 0.021) 7.963 13.109 ( 5.655 -1.507 0.112) 5.853 13.233 ( 8.125 0.790 -4.034) 9.105 13.310 ( -2.272 -3.584 10.184) 11.033 13.473 ( 2.594 0.940 1.458) 3.121 13.587 ( -4.076 1.691 -0.464) 4.438 13.673 ( -0.932 0.835 3.523) 3.739 13.793 ( -2.090 0.793 -1.176) 2.526 13.875 ( 4.619 -2.746 -8.354) 9.933 14.009 ( -5.983 -2.420 1.640) 6.659 14.141 ( -2.438 1.211 0.379) 2.748 14.308 ( 3.642 -3.964 1.679) 5.639 14.354 ( -2.133 -7.392 0.549) 7.713 14.518 ( -6.545 2.253 4.244) 8.119 14.625 ( 2.000 -1.877 1.376) 3.068 14.864 ( 1.274 -2.963 -0.067) 3.226 15.000 ( -2.171 -0.285 -3.008) 3.720 15.106 ( -4.302 4.775 5.052) 8.175 15.238 ( -0.630 5.805 2.533) 6.365 15.429 ( 0.809 8.760 -1.068) 8.862 15.494 ( 1.127 7.195 -0.499) 7.300 17.163 ( 0.668 -1.711 -0.156) 1.844 17.189 ( -0.897 -0.795 -1.430) 1.866 18.034 ( 2.200 2.269 -0.062) 3.161 18.189 ( -6.718 6.865 -5.745) 11.192 18.675 ( 8.376 6.887 8.360) 13.692 19.166 ( -7.873 1.537 -11.177) 13.757 19.764 ( 8.187 -1.421 5.188) 9.796 19.931 ( -4.367 0.970 -2.065) 4.928 20.955 ( 0.108 2.280 5.813) 6.245 21.303 ( -5.041 -0.036 -8.082) 9.525 22.337 ( 1.578 5.202 8.526) 10.112 22.811 ( -0.336 -0.269 -7.282) 7.295 24.419 ( -3.959 -10.609 10.243) 15.268 24.677 ( -3.059 -6.023 -5.802) 8.905 25.094 ( 3.628 5.925 2.723) 7.461 25.166 ( 0.193 -1.198 1.669) 2.063 25.597 ( 0.378 1.055 2.371) 2.623 25.804 ( 4.745 -0.778 -7.287) 8.731 26.085 ( -3.698 -5.417 6.087) 8.948 26.331 ( 0.128 -8.690 -3.519) 9.376 26.601 ( -4.114 1.617 4.158) 6.069 26.676 ( 0.988 3.660 -0.220) 3.797 26.879 ( -0.282 6.275 1.251) 6.404 27.023 ( -2.030 9.270 0.136) 9.491 27.237 ( 7.052 0.724 0.093) 7.090 27.343 ( -2.252 6.776 -2.135) 7.453 27.456 ( 0.229 5.346 -0.648) 5.391 27.532 ( 4.278 2.635 2.092) 5.443 27.677 ( -3.384 -1.544 -2.048) 4.246 27.871 ( -9.422 9.892 -10.636) 17.313 27.980 ( -1.186 3.729 0.950) 4.027 28.054 ( -5.012 16.712 -9.938) 20.079 28.909 ( 0.071 -0.850 1.559) 1.777 28.948 ( -0.113 0.057 0.715) 0.726 29.205 ( 9.268 0.134 4.064) 10.121 29.377 ( -1.964 5.238 -5.950) 8.167 29.558 ( 8.694 -1.030 4.443) 9.818 29.730 ( 9.769 0.853 -3.366) 10.368 29.836 ( -1.111 -1.833 1.314) 2.514 29.992 ( -1.364 -0.827 -5.051) 5.297 30.451 ( -0.799 -1.236 3.332) 3.643 30.556 ( 0.521 -0.920 -0.969) 1.434 31.380 ( -3.703 -5.469 8.137) 10.480 31.652 ( -0.635 -3.215 -1.743) 3.712 31.801 ( -2.467 3.233 -3.262) 5.213 31.989 ( -2.379 -2.985 -3.884) 5.446 33.930 ( -0.667 -5.031 4.512) 6.791 34.044 ( 6.174 -12.881 5.634) 15.355 ======================= Grid point 41 (19/44) ======================= q-point: ( 0.20 0.14 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -13.295 5.922 18.477) 23.521 0.959 ( -0.501 -0.445 15.035) 15.050 1.129 ( -6.153 7.666 -2.263) 10.087 1.136 ( -1.676 12.619 4.853) 13.623 1.247 ( -1.091 13.574 0.871) 13.646 1.269 ( -5.416 7.601 -4.827) 10.508 1.335 ( -0.456 3.744 -1.866) 4.208 1.429 ( -4.917 3.566 -3.654) 7.089 1.539 ( 4.925 4.423 4.071) 7.771 1.644 ( -2.531 8.085 -0.808) 8.510 1.812 ( -6.010 8.349 -1.060) 10.342 1.876 ( -0.450 4.700 -4.798) 6.732 1.915 ( -1.565 3.838 0.953) 4.253 1.996 ( -8.603 0.862 -2.861) 9.108 2.033 ( 4.483 -2.358 -8.790) 10.145 2.143 ( 4.418 -1.864 -2.185) 5.269 2.221 ( 3.822 0.073 -3.081) 4.909 2.341 ( 1.838 5.477 -3.735) 6.879 2.392 ( 1.656 1.674 -3.101) 3.893 2.463 ( 1.943 -3.146 -5.101) 6.300 2.564 ( 1.458 -0.972 1.622) 2.388 2.650 ( 4.101 5.745 -0.615) 7.086 2.687 ( -4.369 2.570 6.664) 8.373 2.820 ( -6.209 -2.661 2.103) 7.075 2.912 ( 1.500 6.687 -1.016) 6.928 2.945 ( -2.931 3.230 2.442) 4.999 3.052 ( 2.758 2.786 -3.792) 5.454 3.100 ( -0.480 3.062 -1.055) 3.274 3.172 ( -1.277 9.289 -0.127) 9.378 3.189 ( 2.337 1.868 0.375) 3.015 3.284 ( -0.518 10.090 1.947) 10.290 3.429 ( -0.150 9.041 -1.541) 9.172 3.483 ( -0.947 0.190 1.997) 2.219 3.622 ( -0.101 2.411 -0.430) 2.451 3.681 ( 0.547 1.331 1.070) 1.793 3.759 ( 0.419 3.616 0.831) 3.734 3.803 ( 2.026 4.003 2.025) 4.922 3.922 ( -1.916 4.389 -3.453) 5.904 3.982 ( -4.953 4.030 -4.042) 7.557 4.065 ( -0.659 1.042 3.610) 3.815 4.145 ( -4.142 1.028 2.397) 4.895 4.334 ( 2.523 1.175 2.046) 3.454 4.462 ( -3.769 1.916 -0.935) 4.330 4.567 ( 0.838 6.626 0.696) 6.715 4.645 ( 2.637 -0.090 1.449) 3.011 4.703 ( -1.730 5.390 2.473) 6.177 4.755 ( -1.134 9.589 -1.669) 9.799 4.906 ( -0.289 7.091 -2.327) 7.469 4.926 ( 2.288 8.717 3.797) 9.779 4.986 ( -0.130 3.258 -1.943) 3.796 5.095 ( 1.154 2.706 -1.413) 3.263 5.120 ( 3.618 6.547 1.924) 7.724 5.190 ( 0.986 7.431 -7.066) 10.301 5.303 ( 1.798 5.215 -4.964) 7.421 5.353 ( 2.117 7.061 -1.565) 7.535 5.478 ( -6.938 6.130 2.267) 9.532 5.549 ( 4.062 2.006 1.155) 4.675 5.602 ( -0.121 7.829 3.766) 8.689 5.678 ( -7.059 1.799 -6.835) 9.989 5.759 ( 2.326 6.747 2.685) 7.625 5.843 ( 0.994 3.749 -9.230) 10.012 5.929 ( 0.061 9.054 1.540) 9.184 6.081 ( 2.633 11.574 1.385) 11.950 6.160 ( 2.317 5.087 -3.521) 6.607 6.215 ( 3.463 5.571 -0.577) 6.586 6.356 ( 6.609 0.886 -3.095) 7.351 6.585 ( -0.189 7.187 6.063) 9.405 6.651 ( 3.296 3.527 0.622) 4.867 6.839 ( 1.678 0.846 7.161) 7.403 6.866 ( -6.602 2.055 -1.186) 7.016 7.042 ( -5.628 -0.646 -3.559) 6.690 7.142 ( 6.098 2.205 1.145) 6.584 7.292 ( -3.714 -1.318 2.654) 4.751 7.373 ( -2.288 3.217 5.585) 6.839 7.636 ( -1.325 -0.625 -0.370) 1.510 7.734 ( -1.761 2.961 -3.538) 4.938 7.905 ( -7.466 -2.309 -0.735) 7.849 7.995 ( -2.999 1.407 -1.905) 3.821 8.183 ( -5.650 5.974 2.030) 8.469 8.535 ( 5.307 -7.414 -4.239) 10.055 8.549 ( 0.640 -5.197 1.897) 5.569 8.688 ( 2.038 1.386 -4.475) 5.109 8.850 ( -7.312 -2.533 3.021) 8.307 9.090 ( 0.148 -9.957 2.991) 10.397 9.162 ( 1.699 -6.063 1.316) 6.432 9.185 ( 5.323 -2.053 0.570) 5.734 9.272 ( -10.102 5.888 -0.345) 11.698 9.506 ( 4.303 -4.185 3.506) 6.951 9.764 ( 4.595 -4.498 0.328) 6.438 9.849 ( 2.184 0.945 -3.664) 4.369 10.127 ( 0.600 -1.952 5.914) 6.256 10.198 ( 1.953 -0.829 1.701) 2.720 10.503 ( 4.172 5.155 -3.741) 7.614 10.623 ( 3.603 1.411 -7.279) 8.243 10.777 ( -1.587 -6.463 2.716) 7.187 10.852 ( -0.862 -5.183 -2.516) 5.826 11.017 ( 8.918 -4.861 7.807) 12.810 11.067 ( -0.049 -5.004 -5.667) 7.560 11.511 ( -4.194 -1.352 11.676) 12.480 11.555 ( -2.488 -11.150 -3.944) 12.086 11.589 ( -4.558 -9.387 -0.479) 10.446 11.815 ( -3.557 -2.473 0.519) 4.363 11.960 ( -6.688 -4.692 3.525) 8.898 11.989 ( -6.243 1.924 -5.056) 8.261 12.131 ( 1.381 -1.126 -4.950) 5.261 12.304 ( 4.517 -11.181 -4.569) 12.896 12.432 ( 5.846 -5.888 -0.087) 8.298 12.519 ( 3.118 -5.171 -1.028) 6.125 12.631 ( 2.606 0.076 -2.664) 3.728 12.788 ( -5.445 -0.932 -3.427) 6.501 12.923 ( 1.572 -5.658 3.010) 6.599 12.945 ( 2.569 -3.542 6.756) 8.049 13.141 ( -0.471 -0.577 -2.206) 2.328 13.266 ( 1.043 4.660 -2.589) 5.432 13.453 ( 3.649 -6.035 -1.420) 7.194 13.490 ( -4.187 -0.760 0.044) 4.255 13.563 ( 1.491 0.662 0.859) 1.843 13.657 ( -1.207 2.479 -5.246) 5.926 13.774 ( 4.296 -3.232 10.127) 11.465 13.905 ( 0.859 -3.124 -4.577) 5.608 13.940 ( 1.009 2.416 -1.055) 2.823 14.136 ( -1.914 -5.313 4.491) 7.215 14.283 ( -1.869 -0.635 -5.295) 5.651 14.392 ( 0.295 0.513 2.184) 2.263 14.488 ( 0.512 -3.040 5.677) 6.460 14.741 ( 5.399 -3.237 0.002) 6.295 14.864 ( 0.924 1.796 0.684) 2.132 14.946 ( -0.608 2.425 -0.654) 2.584 15.104 ( -1.646 1.412 2.820) 3.557 15.234 ( -4.236 8.625 5.217) 10.935 15.419 ( 0.369 8.946 -3.270) 9.532 15.508 ( 0.998 5.458 -0.228) 5.553 17.136 ( -2.751 -1.932 -0.508) 3.400 17.172 ( 0.029 -1.213 -0.256) 1.240 18.048 ( -1.852 5.451 -2.292) 6.197 18.176 ( 9.362 5.701 3.322) 11.454 18.826 ( -8.600 0.712 -5.165) 10.057 18.976 ( 6.312 6.431 3.607) 9.706 19.770 ( -8.310 0.831 -4.235) 9.364 19.935 ( 4.460 0.153 3.053) 5.408 21.057 ( 0.706 -0.184 3.233) 3.314 21.178 ( 2.082 3.119 -1.884) 4.197 22.427 ( -3.367 -1.058 6.472) 7.372 22.728 ( 1.548 5.685 -5.982) 8.396 24.401 ( -6.959 -4.150 5.047) 9.546 24.606 ( -0.560 -9.447 -0.211) 9.466 25.104 ( -2.657 5.353 1.438) 6.147 25.201 ( 2.055 4.899 -1.143) 5.434 25.615 ( -1.339 0.812 2.398) 2.865 25.795 ( 3.871 -1.066 -8.851) 9.719 26.114 ( -1.862 -9.668 7.897) 12.621 26.294 ( 0.381 -9.293 -3.146) 9.819 26.613 ( 0.414 2.735 3.282) 4.292 26.725 ( 3.958 3.561 0.400) 5.339 26.866 ( -4.265 6.543 1.396) 7.934 26.981 ( -0.289 5.524 -0.735) 5.581 27.213 ( -5.584 11.869 -3.101) 13.478 27.383 ( 5.394 5.179 -0.409) 7.489 27.465 ( 0.167 3.254 0.313) 3.273 27.550 ( -1.807 1.495 -3.459) 4.179 27.651 ( 0.698 9.134 3.840) 9.933 27.674 ( -0.570 4.917 1.381) 5.138 27.947 ( -2.601 4.010 -0.321) 4.791 28.062 ( 3.293 4.270 0.258) 5.399 28.916 ( -0.948 -0.812 1.023) 1.614 28.971 ( 1.225 -0.994 0.100) 1.580 29.212 ( -4.979 5.261 -3.586) 8.082 29.303 ( 0.284 3.878 -1.112) 4.044 29.500 ( -5.725 1.390 -1.645) 6.117 29.886 ( 2.718 -1.426 -3.054) 4.330 29.914 ( 1.568 -0.836 -3.961) 4.341 30.020 ( 10.184 -7.467 2.885) 12.954 30.524 ( 1.885 -2.008 -1.616) 3.194 30.575 ( 8.738 -3.829 -3.933) 10.319 31.364 ( -6.467 -5.887 7.111) 11.271 31.623 ( 0.208 -2.506 -0.684) 2.606 31.822 ( 1.417 0.327 2.700) 3.067 31.923 ( 0.048 0.930 -2.607) 2.768 33.914 ( -4.653 -4.705 2.310) 7.009 34.098 ( -1.435 -9.455 -1.219) 9.640 ======================= Grid point 42 (20/44) ======================= q-point: (-0.60 0.14 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -11.439 0.945 6.804) 13.343 0.946 ( -2.531 2.348 1.975) 3.977 1.043 ( -1.179 5.246 3.907) 6.647 1.162 ( -9.338 5.004 0.689) 10.616 1.196 ( -2.312 9.302 1.577) 9.714 1.231 ( 0.608 16.494 -4.583) 17.130 1.316 ( 2.993 9.666 -2.179) 10.351 1.429 ( 1.177 -5.814 16.540) 17.572 1.540 ( -1.913 8.746 -0.644) 8.976 1.668 ( -5.106 8.161 0.150) 9.628 1.732 ( 2.996 -2.957 0.477) 4.236 1.852 ( -1.301 1.484 -0.230) 1.987 1.886 ( -1.180 2.514 -0.234) 2.787 1.923 ( 0.455 5.755 3.239) 6.619 2.061 ( 5.107 -3.158 -0.671) 6.042 2.154 ( -0.715 -1.800 -3.316) 3.840 2.306 ( 2.599 2.705 4.156) 5.598 2.377 ( 5.790 7.288 0.903) 9.351 2.415 ( 3.447 3.268 1.570) 5.003 2.457 ( 2.909 -5.255 -4.554) 7.537 2.545 ( -4.141 -1.059 -0.549) 4.309 2.647 ( -3.025 -0.841 -1.250) 3.379 2.738 ( -2.356 5.367 8.014) 9.929 2.833 ( 4.584 9.278 2.823) 10.727 2.883 ( -1.885 2.792 -2.038) 3.938 2.959 ( 6.148 5.711 -5.241) 9.893 2.998 ( -2.531 8.181 -0.306) 8.569 3.053 ( -0.780 0.066 -1.305) 1.522 3.130 ( -2.410 8.725 -1.952) 9.260 3.243 ( 1.780 -1.184 -0.043) 2.138 3.337 ( 2.308 6.260 2.234) 7.036 3.400 ( -1.921 5.237 -0.910) 5.652 3.485 ( -1.173 -5.546 -3.784) 6.816 3.546 ( -4.949 5.709 3.743) 8.431 3.721 ( 1.024 7.807 -0.848) 7.920 3.798 ( 1.556 1.346 4.088) 4.577 3.873 ( 0.288 5.607 2.011) 5.964 3.893 ( 3.768 2.251 -0.608) 4.432 3.976 ( 3.540 4.183 5.195) 7.552 4.023 ( -4.282 -0.470 -0.294) 4.317 4.156 ( -1.722 4.316 8.537) 9.720 4.371 ( -2.987 0.012 -2.500) 3.896 4.408 ( 2.999 0.039 1.635) 3.416 4.545 ( -2.780 11.467 -0.702) 11.820 4.663 ( 1.233 3.534 -2.294) 4.390 4.694 ( -0.327 4.119 -2.363) 4.760 4.707 ( -2.045 10.342 -0.938) 10.584 4.835 ( -3.874 5.612 -1.872) 7.072 4.956 ( 0.198 9.432 -2.897) 9.869 5.004 ( 4.343 2.197 -7.459) 8.907 5.091 ( 1.708 5.850 1.227) 6.217 5.161 ( -0.190 8.091 0.377) 8.102 5.214 ( -0.398 4.153 3.580) 5.497 5.283 ( 1.533 6.182 -1.115) 6.466 5.383 ( 0.422 5.796 -1.948) 6.129 5.414 ( -1.958 6.207 1.700) 6.727 5.526 ( 0.068 0.629 -6.587) 6.617 5.576 ( -0.736 6.192 2.431) 6.692 5.697 ( -0.140 8.126 -8.220) 11.560 5.760 ( 4.485 1.801 3.525) 5.982 5.801 ( 2.059 4.638 -1.942) 5.434 5.958 ( -2.056 5.520 5.423) 8.007 6.072 ( -2.912 7.608 2.830) 8.624 6.209 ( 4.424 9.500 -3.245) 10.971 6.294 ( 5.610 -0.836 -0.746) 5.721 6.409 ( 4.707 0.828 -6.970) 8.452 6.668 ( 0.626 7.554 6.584) 10.040 6.695 ( -0.640 0.207 -1.486) 1.631 6.815 ( 1.903 3.095 4.550) 5.822 6.888 ( -3.790 -0.189 5.406) 6.605 6.932 ( -3.722 0.659 2.527) 4.547 7.223 ( -0.086 0.756 2.058) 2.194 7.273 ( 1.129 1.957 -2.292) 3.218 7.477 ( -16.437 5.319 -4.681) 17.899 7.504 ( 5.356 7.177 4.520) 10.031 7.624 ( -0.563 -0.038 1.802) 1.889 7.839 ( 1.471 0.539 -3.227) 3.587 7.927 ( 0.487 0.008 -3.652) 3.684 8.064 ( -5.289 9.129 -1.499) 10.656 8.472 ( 0.341 -5.470 -8.412) 10.040 8.693 ( 0.468 -0.793 2.940) 3.081 8.749 ( 8.854 -2.842 6.732) 11.480 8.797 ( -2.909 -3.916 6.916) 8.464 9.094 ( -4.594 -5.809 0.124) 7.407 9.118 ( -2.898 -6.706 -0.933) 7.365 9.226 ( 1.878 -1.137 -3.286) 3.952 9.252 ( -0.836 -2.007 3.720) 4.309 9.574 ( -0.549 -7.670 -2.135) 7.981 9.785 ( 1.338 0.942 -2.715) 3.170 9.838 ( 2.347 -2.666 -1.425) 3.827 10.145 ( -3.676 -0.489 3.385) 5.021 10.238 ( 0.864 -3.174 -1.803) 3.751 10.588 ( 4.997 4.755 0.050) 6.898 10.632 ( 4.767 1.694 -3.504) 6.154 10.738 ( -0.843 -10.582 -1.211) 10.684 10.907 ( 3.077 -4.312 5.068) 7.332 11.037 ( 4.609 -0.922 1.562) 4.953 11.253 ( -4.184 -7.650 -2.449) 9.057 11.322 ( -5.080 -6.909 -6.139) 10.547 11.429 ( -3.330 -5.879 -4.955) 8.379 11.586 ( 0.297 -3.892 4.031) 5.611 11.714 ( -7.268 -6.325 -4.067) 10.458 11.826 ( -6.328 0.519 0.539) 6.372 11.986 ( 0.373 -2.099 6.500) 6.841 12.089 ( 1.211 -4.592 -4.412) 6.482 12.396 ( 7.973 -6.339 2.221) 10.425 12.471 ( -2.332 -0.715 -3.484) 4.253 12.575 ( 1.677 -0.986 1.640) 2.544 12.700 ( 8.026 -4.985 -4.290) 10.377 12.709 ( 0.816 -2.482 1.020) 2.805 12.939 ( -2.564 -6.777 -0.191) 7.248 13.032 ( -0.776 -6.691 5.498) 8.695 13.129 ( -1.485 -0.102 3.284) 3.606 13.251 ( 3.722 5.113 -3.862) 7.410 13.388 ( -2.662 -3.513 -2.303) 4.973 13.470 ( 1.631 -1.096 -2.913) 3.514 13.600 ( -0.198 0.466 -2.348) 2.402 13.620 ( 1.887 -0.130 -0.135) 1.896 13.839 ( -1.635 -0.094 -3.142) 3.543 13.911 ( 1.668 2.817 -3.128) 4.528 14.005 ( 1.067 -5.510 9.380) 10.931 14.103 ( -4.595 -5.953 2.082) 7.803 14.201 ( -0.348 0.817 -3.890) 3.990 14.443 ( 3.647 2.028 -0.013) 4.172 14.567 ( -0.142 -6.683 4.727) 8.187 14.797 ( 2.234 -4.208 1.235) 4.922 14.876 ( 0.849 2.050 -1.608) 2.740 15.004 ( 2.597 4.252 3.812) 6.273 15.095 ( -1.803 0.015 1.155) 2.141 15.214 ( -4.736 9.261 7.194) 12.647 15.354 ( -2.556 6.123 -4.430) 7.978 15.532 ( 2.376 4.841 -1.643) 5.637 17.103 ( -0.921 -1.758 0.969) 2.209 17.168 ( 0.070 -1.458 -0.300) 1.491 18.044 ( 1.860 6.230 1.360) 6.642 18.358 ( 1.161 9.835 -0.591) 9.921 18.641 ( 2.152 -2.939 0.403) 3.665 19.099 ( -2.129 5.559 0.660) 5.989 19.643 ( 0.222 2.682 -0.041) 2.691 19.960 ( -1.932 2.188 -2.354) 3.750 21.083 ( 2.903 -3.356 2.315) 5.005 21.254 ( -0.180 2.081 3.052) 3.698 22.397 ( -2.733 -3.430 3.703) 5.740 22.721 ( 1.531 9.140 -4.260) 10.199 24.321 ( -5.645 -0.012 2.459) 6.158 24.610 ( -0.742 -8.843 1.535) 9.006 25.069 ( -1.649 4.612 -0.139) 4.900 25.208 ( 1.312 3.191 -3.043) 4.601 25.602 ( -2.529 1.170 1.996) 3.428 25.772 ( 3.775 -0.257 -7.572) 8.464 26.161 ( -2.050 -8.616 6.787) 11.158 26.287 ( 1.548 -7.433 -1.632) 7.766 26.668 ( 0.915 0.530 4.305) 4.434 26.771 ( -1.565 5.161 -0.463) 5.413 26.802 ( 0.027 5.465 -0.461) 5.485 27.007 ( -0.158 2.230 3.373) 4.047 27.116 ( -0.749 8.444 -2.836) 8.939 27.442 ( 2.942 5.071 -0.647) 5.898 27.468 ( -0.777 0.779 -3.547) 3.714 27.479 ( -0.542 1.432 -1.430) 2.095 27.669 ( -0.474 5.141 3.816) 6.420 27.752 ( -0.957 14.874 4.933) 15.699 27.904 ( -1.149 1.605 -0.226) 1.987 28.101 ( 0.173 3.719 -1.353) 3.961 28.903 ( -1.187 -0.834 0.177) 1.462 28.969 ( -0.024 -1.018 -1.960) 2.209 29.126 ( 1.719 4.504 -1.584) 5.074 29.328 ( 1.046 4.953 2.388) 5.597 29.449 ( 0.294 3.307 0.791) 3.413 29.795 ( -0.925 -0.976 -10.658) 10.743 29.975 ( 1.603 -2.290 2.890) 4.021 30.138 ( -0.129 -4.366 4.338) 6.156 30.510 ( -0.170 -0.947 -0.819) 1.264 30.695 ( 11.095 -8.351 -11.225) 17.856 31.345 ( -3.517 -7.677 6.789) 10.835 31.587 ( -3.174 -5.214 -1.300) 6.241 31.881 ( 2.801 -1.586 2.377) 4.001 31.959 ( 1.503 3.791 4.516) 6.085 33.846 ( -3.024 -3.546 -0.376) 4.675 34.015 ( -3.467 -4.947 -5.288) 8.028 ======================= Grid point 43 (21/44) ======================= q-point: (-0.40 0.14 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -9.487 4.228 9.013) 13.752 0.878 ( -13.322 11.259 11.699) 21.003 1.071 ( -1.401 15.695 4.373) 16.353 1.093 ( 6.731 3.740 -6.473) 10.060 1.191 ( 2.664 11.036 -0.563) 11.367 1.294 ( 3.271 8.535 2.261) 9.416 1.358 ( 2.813 6.342 -0.720) 6.975 1.512 ( -1.788 8.105 -0.794) 8.337 1.539 ( -5.138 0.115 2.681) 5.797 1.626 ( 5.157 1.775 4.219) 6.895 1.825 ( 2.635 1.752 1.731) 3.607 1.844 ( 5.789 2.765 -3.730) 7.421 1.891 ( -0.431 5.115 4.624) 6.909 1.995 ( 5.100 2.714 -0.987) 5.861 2.121 ( 3.912 1.217 -5.763) 7.071 2.172 ( 7.141 -2.605 -2.042) 7.871 2.330 ( -1.745 1.830 2.500) 3.556 2.437 ( -0.092 -0.768 -1.946) 2.094 2.500 ( -0.614 -1.914 1.079) 2.282 2.532 ( 1.139 -4.402 5.388) 7.050 2.543 ( 5.759 3.772 2.758) 7.416 2.602 ( 0.831 0.791 2.306) 2.575 2.712 ( -4.638 1.131 -5.360) 7.178 2.784 ( -2.407 4.046 3.695) 5.985 2.896 ( -1.473 8.205 3.783) 9.154 2.970 ( -4.076 3.525 -0.418) 5.405 3.025 ( 1.602 2.539 -0.057) 3.002 3.045 ( 2.666 6.725 -5.040) 8.817 3.146 ( 5.460 6.263 -0.150) 8.310 3.240 ( -1.654 0.277 -1.468) 2.228 3.364 ( -1.106 2.888 -1.251) 3.335 3.387 ( 1.505 1.728 0.429) 2.331 3.449 ( 1.981 5.558 5.019) 7.746 3.581 ( 3.563 2.168 2.263) 4.745 3.732 ( 0.119 8.180 0.369) 8.189 3.790 ( -4.287 3.671 -4.329) 7.113 3.870 ( -0.857 4.514 1.489) 4.830 3.885 ( -3.958 3.878 1.219) 5.673 4.021 ( 3.447 -2.083 2.853) 4.936 4.125 ( 2.486 1.649 -0.161) 2.987 4.216 ( -1.630 4.003 7.291) 8.475 4.321 ( -2.019 4.938 3.620) 6.447 4.418 ( -1.283 1.065 -2.680) 3.156 4.531 ( -1.850 6.851 0.588) 7.121 4.581 ( -1.982 5.424 -2.677) 6.365 4.684 ( 0.890 4.279 1.504) 4.623 4.718 ( -4.469 11.058 -1.773) 12.058 4.775 ( 6.281 8.728 0.007) 10.753 4.894 ( -0.147 6.575 -7.454) 9.941 4.981 ( 2.182 3.555 -5.782) 7.130 5.120 ( -1.762 7.976 -1.735) 8.350 5.159 ( -0.146 6.390 2.290) 6.790 5.249 ( 3.221 2.137 1.237) 4.059 5.303 ( 0.651 5.826 -4.180) 7.200 5.330 ( -1.768 2.117 1.545) 3.162 5.395 ( 1.306 9.748 -2.555) 10.162 5.501 ( -0.791 1.274 0.087) 1.502 5.595 ( -0.210 6.164 -0.826) 6.223 5.693 ( 10.884 7.677 -3.308) 13.723 5.763 ( 1.267 7.948 -6.332) 10.241 5.892 ( -3.289 -0.416 7.454) 8.158 5.998 ( -3.362 2.112 7.860) 8.806 6.089 ( 2.527 7.479 4.360) 9.019 6.207 ( -2.668 5.847 -4.632) 7.922 6.251 ( 3.327 4.915 -8.216) 10.136 6.516 ( 7.651 2.897 0.345) 8.188 6.644 ( -6.484 1.557 -2.022) 6.968 6.661 ( -4.245 6.435 -2.337) 8.055 6.822 ( -5.313 2.229 6.346) 8.571 6.936 ( 1.126 -0.934 3.700) 3.979 7.061 ( 11.553 2.084 10.099) 15.485 7.122 ( -8.928 5.655 -7.609) 13.022 7.218 ( -1.860 -0.366 1.618) 2.492 7.291 ( 1.780 3.569 2.410) 4.660 7.585 ( 1.054 0.519 0.811) 1.428 7.696 ( 2.121 5.054 0.898) 5.554 7.810 ( -0.079 -0.074 -2.506) 2.508 7.921 ( 1.983 2.468 -3.557) 4.762 8.092 ( 5.287 6.069 2.737) 8.502 8.331 ( -0.890 -0.280 -11.530) 11.567 8.813 ( 4.822 -3.922 9.071) 10.996 8.854 ( -1.166 -3.753 7.710) 8.654 8.956 ( -2.401 -1.649 -3.577) 4.613 9.005 ( 5.371 -3.784 8.184) 10.495 9.057 ( -4.200 -8.474 -2.373) 9.751 9.135 ( -3.402 -2.732 -7.865) 8.994 9.297 ( 1.906 -2.299 6.377) 7.042 9.450 ( -5.833 -5.997 -5.614) 10.075 9.751 ( -4.274 1.225 -1.276) 4.625 9.865 ( -0.325 -2.392 -2.293) 3.330 10.126 ( -1.949 -0.846 2.003) 2.920 10.216 ( 0.389 -3.576 -0.249) 3.606 10.626 ( -0.421 1.997 0.375) 2.075 10.650 ( 0.488 -4.568 -2.430) 5.197 10.815 ( 7.066 -0.124 5.969) 9.250 10.896 ( -13.859 -1.912 -10.177) 17.300 11.005 ( 1.520 -4.256 5.248) 6.926 11.166 ( -5.496 -4.375 -6.984) 9.906 11.245 ( 8.264 -7.277 8.969) 14.202 11.440 ( -5.281 -6.199 -6.893) 10.669 11.511 ( -2.657 -5.365 -3.499) 6.934 11.688 ( 11.068 1.499 -2.173) 11.379 11.748 ( -2.530 -1.764 2.512) 3.978 12.066 ( 5.650 -5.593 -3.559) 8.710 12.153 ( 5.668 -3.969 5.477) 8.825 12.368 ( -0.068 -7.771 -5.993) 9.813 12.524 ( -4.302 -1.567 2.362) 5.152 12.622 ( 0.464 -3.391 4.407) 5.580 12.700 ( -2.303 -2.900 -5.709) 6.804 12.792 ( 4.661 -2.725 0.583) 5.431 12.867 ( -2.207 -2.385 4.667) 5.687 13.033 ( -7.279 -3.309 2.299) 8.319 13.166 ( 3.698 -4.962 1.593) 6.391 13.245 ( -2.094 -5.312 -9.643) 11.207 13.332 ( 0.668 2.424 0.166) 2.520 13.473 ( 1.860 -0.429 -5.406) 5.733 13.571 ( 0.997 0.483 2.284) 2.539 13.697 ( 1.423 1.765 4.723) 5.239 13.792 ( 3.333 1.640 -4.763) 6.040 13.863 ( -2.039 3.707 -6.112) 7.433 13.993 ( -3.732 -5.871 3.758) 7.907 14.145 ( 2.348 -1.823 0.955) 3.123 14.224 ( 2.365 -7.210 4.783) 8.969 14.426 ( -1.558 -5.091 -6.194) 8.167 14.629 ( -1.758 -2.835 9.387) 9.962 14.785 ( -2.097 1.164 -1.601) 2.884 14.949 ( -2.696 2.983 1.688) 4.361 14.972 ( -0.375 -1.088 2.860) 3.083 15.095 ( -2.636 0.824 1.961) 3.388 15.210 ( -4.441 7.140 6.789) 10.807 15.315 ( 4.836 3.380 -3.912) 7.080 15.538 ( 0.679 4.579 -2.573) 5.296 17.123 ( 1.409 -1.797 1.349) 2.652 17.172 ( 1.073 -0.897 -0.746) 1.585 18.128 ( 2.666 6.399 4.547) 8.291 18.219 ( -5.554 7.868 -3.824) 10.362 18.841 ( -3.013 1.194 0.874) 3.357 18.970 ( 5.580 2.841 -0.039) 6.262 19.770 ( 8.123 4.061 4.257) 10.029 19.842 ( -5.238 2.593 -6.569) 8.793 21.133 ( -7.421 -3.144 3.607) 8.830 21.268 ( 5.041 -1.443 2.633) 5.867 22.394 ( -5.388 2.228 3.841) 6.982 22.717 ( 6.230 4.678 -4.911) 9.209 24.278 ( -4.317 1.567 7.371) 8.684 24.614 ( 2.642 -4.045 -2.555) 5.466 25.042 ( -2.372 4.148 1.101) 4.903 25.190 ( 1.004 -2.414 -3.803) 4.615 25.577 ( -2.175 2.105 1.509) 3.382 25.775 ( 4.556 -0.247 -6.090) 7.610 26.171 ( -3.939 -4.915 4.498) 7.740 26.307 ( 2.286 -5.516 -1.058) 6.064 26.689 ( -4.697 -3.093 5.844) 8.111 26.767 ( -2.350 5.286 -0.481) 5.805 26.802 ( 3.347 6.310 2.100) 7.445 26.971 ( -1.043 -1.173 -4.054) 4.348 27.195 ( 5.923 7.902 4.964) 11.053 27.359 ( -3.692 1.626 -6.364) 7.535 27.484 ( 1.819 3.657 -0.752) 4.153 27.492 ( 0.875 3.273 -0.865) 3.497 27.731 ( 3.495 11.510 6.980) 13.908 27.741 ( -3.403 10.553 3.089) 11.510 27.917 ( 1.915 1.483 0.476) 2.469 28.036 ( -1.653 6.831 -4.429) 8.307 28.892 ( -0.111 -0.476 0.399) 0.631 28.938 ( -0.716 -0.251 -2.160) 2.290 29.232 ( 4.507 3.750 4.488) 7.383 29.370 ( 2.025 3.170 0.023) 3.761 29.490 ( 1.120 0.768 1.438) 1.978 29.646 ( -0.635 0.404 -12.917) 12.939 30.002 ( -3.266 -2.197 4.235) 5.782 30.133 ( -3.036 -2.564 0.883) 4.071 30.515 ( 1.364 -0.866 -0.529) 1.700 30.696 ( 3.259 -9.042 -13.333) 16.436 31.361 ( -4.356 -10.015 7.479) 13.236 31.544 ( 2.222 -2.860 -2.193) 4.234 31.973 ( 2.336 -2.044 6.162) 6.900 32.014 ( -0.299 -0.241 2.444) 2.474 33.831 ( 1.174 -2.558 0.353) 2.837 33.878 ( -3.783 -2.196 -6.791) 8.077 ======================= Grid point 44 (22/44) ======================= q-point: (-0.20 0.14 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -1.205 14.095 14.140) 20.001 0.810 ( -11.466 14.152 17.731) 25.419 1.100 ( -0.239 19.498 5.430) 20.241 1.174 ( 1.179 1.650 -3.615) 4.145 1.206 ( -0.490 21.774 2.306) 21.902 1.335 ( 1.713 10.366 -3.923) 11.215 1.369 ( -1.430 5.466 -2.614) 6.225 1.384 ( 4.138 4.810 -5.286) 8.259 1.620 ( 6.325 6.495 4.723) 10.222 1.712 ( -0.347 2.109 -3.137) 3.796 1.909 ( 0.471 8.367 2.066) 8.632 1.915 ( 8.739 2.996 -4.248) 10.168 1.995 ( 8.208 0.065 0.622) 8.232 2.057 ( 4.771 -0.524 -3.657) 6.034 2.148 ( 3.393 0.192 -3.280) 4.723 2.244 ( 3.439 1.997 -3.540) 5.324 2.329 ( 1.010 -1.297 -1.729) 2.386 2.355 ( -6.388 -7.291 -6.569) 11.710 2.477 ( 0.469 2.447 -4.644) 5.270 2.545 ( -0.847 -4.620 1.134) 4.832 2.577 ( -0.012 -0.147 -1.307) 1.315 2.654 ( -2.960 0.848 3.192) 4.435 2.717 ( 1.825 6.332 4.413) 7.931 2.797 ( 1.128 0.136 3.553) 3.730 2.838 ( -2.811 0.245 -2.670) 3.884 2.925 ( -1.681 5.914 -0.303) 6.155 3.028 ( -2.147 6.942 0.511) 7.285 3.073 ( 2.447 5.721 -1.029) 6.306 3.150 ( 1.011 2.865 -2.749) 4.098 3.221 ( 0.726 7.409 -1.886) 7.680 3.317 ( -2.690 0.098 -0.240) 2.702 3.407 ( -1.163 4.640 -1.739) 5.090 3.541 ( 2.076 8.198 -0.505) 8.472 3.578 ( -2.482 8.164 -3.430) 9.197 3.700 ( 6.047 4.144 1.236) 7.434 3.785 ( -1.436 4.998 2.937) 5.972 3.883 ( -0.903 4.899 3.451) 6.060 3.927 ( 0.356 -1.629 1.808) 2.460 4.032 ( -0.472 -1.760 0.420) 1.870 4.073 ( -1.069 0.364 -2.609) 2.843 4.246 ( -4.370 5.506 2.414) 7.432 4.315 ( -1.159 7.151 -0.821) 7.291 4.361 ( -3.203 0.748 2.382) 4.061 4.451 ( -2.656 4.603 4.617) 7.040 4.578 ( -0.793 4.979 2.297) 5.540 4.674 ( -1.342 4.199 1.324) 4.603 4.763 ( 2.030 5.569 3.829) 7.056 4.817 ( 0.937 7.779 -5.159) 9.382 4.905 ( 8.255 13.313 -3.658) 16.086 4.974 ( 3.719 6.352 -5.051) 8.927 5.030 ( -2.199 7.925 -3.747) 9.038 5.216 ( 1.887 2.055 -0.004) 2.790 5.258 ( -0.591 4.767 -1.819) 5.137 5.296 ( 3.477 4.302 -3.134) 6.358 5.366 ( 1.714 0.233 3.783) 4.159 5.455 ( 6.264 8.682 -3.048) 11.131 5.504 ( 1.520 -0.059 -0.655) 1.656 5.603 ( -0.596 10.084 3.749) 10.775 5.763 ( 3.878 3.514 -7.352) 9.024 5.785 ( -0.901 8.400 -5.545) 10.105 5.860 ( 8.555 5.088 -2.358) 10.229 5.965 ( -6.960 0.385 5.927) 9.150 6.082 ( -8.143 6.800 -1.969) 10.790 6.154 ( 0.861 7.578 1.203) 7.721 6.298 ( 0.593 9.234 -2.383) 9.555 6.427 ( -7.186 2.944 -6.946) 10.419 6.533 ( 6.496 6.498 -10.169) 13.705 6.640 ( -3.999 2.261 5.668) 7.296 6.780 ( -6.377 8.195 5.100) 11.569 6.976 ( 0.302 0.900 -2.592) 2.760 7.034 ( 3.746 -1.062 2.041) 4.396 7.228 ( 0.929 0.121 1.982) 2.192 7.320 ( -2.493 1.449 0.131) 2.886 7.468 ( 11.629 -0.738 11.540) 16.400 7.634 ( 2.317 1.821 2.955) 4.173 7.654 ( 0.820 0.627 -5.942) 6.031 7.830 ( 1.847 -0.107 2.499) 3.109 7.959 ( 4.264 0.824 -1.072) 4.474 8.043 ( -1.853 -3.869 -4.054) 5.902 8.391 ( 7.728 4.139 -0.035) 8.767 8.781 ( -7.550 1.114 -2.724) 8.103 8.894 ( -2.213 -2.892 -4.820) 6.041 8.980 ( 0.497 -2.740 4.025) 4.895 9.011 ( 3.906 -8.032 5.365) 10.419 9.042 ( 0.731 -8.360 0.153) 8.393 9.129 ( -0.549 -3.328 1.230) 3.590 9.347 ( 1.855 -5.216 -0.038) 5.536 9.503 ( 8.488 -2.353 6.013) 10.665 9.588 ( -9.448 -2.032 0.283) 9.669 9.768 ( -6.911 4.007 -3.348) 8.662 10.078 ( -2.851 -0.730 0.380) 2.968 10.260 ( -0.796 0.345 3.014) 3.137 10.616 ( -1.346 -4.189 -4.689) 6.430 10.643 ( -0.654 -1.261 1.719) 2.230 10.669 ( 2.675 4.608 -5.857) 7.918 10.956 ( -4.017 -3.411 -2.003) 5.638 11.071 ( -2.166 -4.024 -1.899) 4.949 11.112 ( 8.180 -0.919 11.294) 13.975 11.243 ( -0.243 -5.129 -2.633) 5.771 11.292 ( -6.604 -1.906 -2.452) 7.298 11.543 ( 0.986 -7.781 5.970) 9.857 11.809 ( 8.989 -4.956 3.058) 10.710 11.956 ( 13.110 -0.471 2.451) 13.346 12.108 ( 5.322 -8.084 -7.410) 12.189 12.267 ( -1.399 -5.383 -3.974) 6.835 12.346 ( -2.883 -6.670 0.177) 7.269 12.400 ( 0.238 -7.245 -0.836) 7.297 12.530 ( -7.166 -2.157 -3.734) 8.363 12.655 ( -2.560 -0.712 4.633) 5.341 12.744 ( -2.063 -1.379 -3.476) 4.271 12.874 ( -7.182 2.520 0.265) 7.616 13.046 ( 3.082 -4.452 5.989) 8.074 13.109 ( 0.324 -3.687 -3.558) 5.134 13.171 ( -2.640 -3.309 -4.188) 5.955 13.341 ( -3.350 0.325 3.104) 4.579 13.441 ( 2.080 -0.445 -4.764) 5.218 13.634 ( 1.889 2.122 2.309) 3.661 13.693 ( -4.121 2.498 -2.454) 5.408 13.770 ( 0.085 1.810 -1.288) 2.223 13.880 ( 5.902 0.119 -1.298) 6.044 14.005 ( -0.029 -5.506 3.777) 6.678 14.187 ( 0.841 0.823 0.166) 1.188 14.300 ( -3.214 -8.258 2.091) 9.105 14.338 ( 0.656 -8.951 0.594) 8.995 14.593 ( -6.838 1.804 0.838) 7.122 14.739 ( -10.931 -4.696 0.098) 11.898 14.815 ( 2.483 0.859 0.124) 2.630 15.040 ( -1.584 -1.959 -0.285) 2.535 15.123 ( 0.255 0.767 6.951) 6.997 15.202 ( -2.012 5.150 4.597) 7.190 15.388 ( 4.986 5.730 -1.315) 7.708 15.507 ( -0.716 6.779 -2.457) 7.246 17.153 ( 0.922 -2.683 -0.343) 2.858 17.191 ( 1.739 0.549 -0.825) 2.001 18.067 ( -3.401 2.559 -2.712) 5.047 18.286 ( 2.491 7.534 3.866) 8.827 18.604 ( -7.500 6.779 -4.651) 11.129 19.232 ( 9.929 -0.352 1.188) 10.006 19.684 ( -3.130 0.908 -4.520) 5.572 19.930 ( 4.423 3.050 2.162) 5.791 20.995 ( -8.306 -2.561 2.139) 8.951 21.385 ( 2.541 -2.341 -0.023) 3.455 22.302 ( -4.788 6.910 1.815) 8.600 22.814 ( 6.478 -0.300 -3.199) 7.231 24.341 ( -2.176 -4.887 13.672) 14.681 24.688 ( 7.732 -2.926 -1.981) 8.501 25.007 ( -0.452 4.193 -0.251) 4.225 25.170 ( -1.152 -3.214 0.374) 3.434 25.570 ( -0.304 1.902 1.736) 2.593 25.794 ( 4.219 -0.029 -5.688) 7.082 26.121 ( -5.344 -1.962 3.085) 6.475 26.337 ( 2.075 -5.859 -1.447) 6.382 26.653 ( -5.906 -3.040 4.938) 8.277 26.700 ( -2.994 3.668 -0.620) 4.775 26.871 ( 0.933 2.580 0.102) 2.745 26.984 ( 3.605 10.920 2.860) 11.850 27.220 ( -2.195 -1.389 -6.075) 6.607 27.337 ( 3.612 1.251 2.164) 4.392 27.469 ( -0.148 5.546 -1.958) 5.883 27.491 ( 0.180 3.396 -1.528) 3.729 27.720 ( -1.589 0.758 0.808) 1.937 27.907 ( 3.778 5.285 -0.904) 6.559 27.964 ( 1.173 2.313 2.407) 3.538 28.145 ( 20.421 24.439 1.290) 31.874 28.900 ( -0.127 -0.776 1.028) 1.295 28.922 ( 1.061 -0.741 0.654) 1.450 29.133 ( -12.340 0.693 -10.876) 16.464 29.417 ( 4.367 8.202 -3.613) 9.970 29.448 ( -1.507 2.815 -0.441) 3.223 29.641 ( 5.755 0.627 -0.641) 5.824 29.935 ( -8.602 -2.597 3.125) 9.513 30.069 ( -2.630 -1.149 -2.736) 3.965 30.521 ( -1.559 -3.873 -3.872) 5.694 30.564 ( -2.535 -2.954 -3.724) 5.387 31.357 ( -3.246 -6.621 6.257) 9.671 31.608 ( 4.163 -3.435 0.810) 5.458 31.965 ( -3.976 -3.965 -5.853) 8.111 32.049 ( -0.414 -3.688 0.375) 3.730 33.810 ( 2.080 -2.591 5.304) 6.259 33.900 ( 2.698 -3.124 3.474) 5.395 ======================= Grid point 45 (23/44) ======================= q-point: ( 0.00 0.29 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -6.553 12.525 6.366) 15.503 1.021 ( -5.995 11.517 0.691) 13.002 1.190 ( 6.501 1.673 -0.906) 6.774 1.356 ( 2.120 3.947 -0.646) 4.526 1.419 ( 0.064 3.358 -3.082) 4.559 1.506 ( 1.026 1.891 -4.067) 4.601 1.574 ( -3.258 6.398 -1.286) 7.293 1.639 ( -0.442 10.676 -2.779) 11.041 1.721 ( -3.213 5.624 -7.114) 9.621 1.831 ( -1.736 -2.500 -6.766) 7.419 1.921 ( 5.677 -0.089 -1.002) 5.765 1.968 ( 0.830 3.029 -3.597) 4.775 2.011 ( -3.058 -2.205 -4.236) 5.671 2.125 ( -2.523 2.021 -0.605) 3.288 2.153 ( 1.986 3.166 0.356) 3.754 2.196 ( 0.783 8.150 -3.439) 8.881 2.269 ( -6.120 3.124 -5.846) 9.022 2.344 ( 2.010 -0.476 -0.388) 2.102 2.439 ( 2.681 5.933 -1.716) 6.733 2.466 ( 0.877 0.464 -2.767) 2.939 2.658 ( -0.374 0.742 4.370) 4.448 2.718 ( -6.180 7.926 -4.122) 10.863 2.780 ( -1.843 0.116 7.356) 7.584 2.838 ( 2.784 5.422 0.593) 6.124 2.889 ( 3.279 3.136 -0.006) 4.537 3.059 ( -1.977 4.769 -0.732) 5.214 3.102 ( 0.056 0.644 -0.389) 0.754 3.165 ( -1.497 3.249 1.326) 3.815 3.273 ( 1.372 7.933 2.350) 8.386 3.350 ( -0.647 6.466 0.043) 6.498 3.451 ( 0.058 4.829 3.187) 5.786 3.570 ( 5.537 1.774 -0.681) 5.854 3.644 ( -3.269 4.309 -5.224) 7.520 3.684 ( 5.636 3.444 -2.843) 7.191 3.756 ( -5.438 2.166 -1.958) 6.172 3.786 ( -4.606 2.002 -2.023) 5.415 3.890 ( 0.481 4.606 0.661) 4.678 3.985 ( 0.875 -2.808 1.662) 3.378 4.057 ( -0.800 1.444 2.981) 3.407 4.081 ( 2.494 0.475 -3.321) 4.181 4.274 ( -2.289 4.870 -1.571) 5.606 4.397 ( 3.109 1.564 5.728) 6.702 4.465 ( -1.842 8.741 -1.771) 9.107 4.607 ( 0.905 3.660 6.616) 7.615 4.712 ( -2.426 5.552 -2.123) 6.420 4.773 ( 0.183 7.606 6.623) 10.087 4.873 ( 2.736 0.817 0.820) 2.971 4.990 ( 2.165 0.089 -4.251) 4.771 5.065 ( -4.719 6.666 9.489) 12.520 5.135 ( -1.838 1.907 -3.639) 4.500 5.153 ( 0.102 11.247 0.744) 11.272 5.234 ( -0.148 2.212 -7.807) 8.115 5.293 ( -0.325 0.275 -0.742) 0.855 5.410 ( 1.784 6.266 -5.212) 8.343 5.484 ( 0.063 4.802 -1.700) 5.095 5.614 ( 4.293 5.829 4.578) 8.565 5.622 ( 4.090 7.227 0.676) 8.332 5.757 ( -7.239 -1.120 -0.774) 7.366 5.826 ( 3.932 1.571 -2.804) 5.078 5.936 ( 0.319 10.542 0.240) 10.550 6.019 ( -3.244 10.893 -2.114) 11.561 6.093 ( 2.157 4.374 -0.800) 4.943 6.162 ( 6.056 7.472 -6.202) 11.444 6.250 ( 2.202 5.289 -4.093) 7.041 6.445 ( -2.506 11.455 1.222) 11.789 6.553 ( 1.250 8.906 2.270) 9.275 6.730 ( -2.942 9.794 -1.984) 10.417 6.777 ( 5.355 13.158 -1.967) 14.341 6.864 ( -6.306 7.355 1.905) 9.874 7.053 ( -0.495 2.346 -4.728) 5.301 7.112 ( 3.381 2.726 2.013) 4.787 7.204 ( -4.915 6.407 -2.239) 8.380 7.331 ( -5.842 0.757 1.036) 5.981 7.402 ( -2.026 1.153 0.014) 2.331 7.637 ( -1.764 -1.826 -0.581) 2.605 7.772 ( 4.203 -1.243 3.309) 5.491 7.875 ( 2.669 -4.471 5.807) 7.800 8.004 ( 4.565 2.268 6.110) 7.957 8.075 ( 1.659 0.425 2.318) 2.882 8.454 ( 2.019 -5.936 -1.776) 6.516 8.499 ( -6.083 -9.791 -4.470) 12.363 8.697 ( -1.791 -4.112 -4.183) 6.133 8.846 ( -2.521 -4.575 1.113) 5.341 8.899 ( 4.205 -9.123 0.932) 10.089 8.922 ( -6.176 -6.871 0.427) 9.249 9.066 ( 3.025 -1.490 -0.994) 3.516 9.325 ( -0.509 -8.781 5.635) 10.446 9.385 ( 6.041 -7.203 2.220) 9.660 9.733 ( -7.332 9.266 0.637) 11.833 9.872 ( 6.253 5.096 2.247) 8.374 9.971 ( 1.380 -4.512 0.127) 4.720 10.229 ( -5.048 0.970 -2.453) 5.696 10.527 ( 2.885 -2.908 -1.117) 4.246 10.628 ( -0.536 -0.701 -0.617) 1.077 10.728 ( 2.427 1.386 -3.171) 4.227 10.753 ( -1.723 -6.679 0.764) 6.940 10.915 ( -2.520 -1.111 -4.428) 5.215 11.038 ( -2.069 -5.900 -6.616) 9.103 11.286 ( 5.119 -3.123 7.991) 9.991 11.383 ( -0.839 -7.872 2.139) 8.201 11.410 ( 2.340 -1.749 10.114) 10.527 11.768 ( 1.340 -8.349 -1.908) 8.669 11.901 ( 0.384 -7.656 -0.678) 7.696 11.993 ( 0.556 -8.066 -3.109) 8.662 12.026 ( 0.595 -2.138 -0.581) 2.294 12.128 ( -1.598 -4.310 -3.473) 5.761 12.277 ( -0.029 -7.608 -4.312) 8.745 12.453 ( -3.356 -0.815 -5.144) 6.196 12.647 ( 1.864 -1.496 4.035) 4.690 12.702 ( 3.915 -1.188 -1.222) 4.270 12.898 ( -6.231 5.296 5.532) 9.873 12.967 ( -5.656 -3.849 4.763) 8.336 13.035 ( 2.674 -5.482 3.669) 7.118 13.164 ( 8.443 -4.357 2.496) 9.824 13.275 ( -2.316 -2.127 5.823) 6.618 13.492 ( 2.945 1.706 -3.410) 4.818 13.575 ( -4.715 -1.063 -0.671) 4.880 13.695 ( 6.693 -3.357 -4.898) 8.947 13.806 ( -2.862 2.602 -0.728) 3.936 13.836 ( -1.863 -0.196 -5.686) 5.987 14.007 ( -3.285 -0.033 4.176) 5.313 14.146 ( -1.786 0.504 4.095) 4.496 14.256 ( 3.297 0.745 -3.335) 4.748 14.321 ( 5.280 0.625 -6.231) 8.191 14.547 ( -6.659 1.684 3.663) 7.785 14.636 ( 2.516 1.530 -0.177) 2.950 14.815 ( 0.907 -2.240 1.983) 3.126 14.982 ( 1.514 -0.984 -3.019) 3.517 15.221 ( -7.425 4.896 7.591) 11.693 15.344 ( 0.648 4.685 4.736) 6.693 15.552 ( 4.013 3.432 -2.565) 5.871 15.612 ( -1.935 3.759 -1.174) 4.388 17.127 ( 0.799 -1.486 -0.002) 1.687 17.179 ( -0.924 -0.276 -2.034) 2.251 18.037 ( 2.822 -0.492 4.218) 5.099 18.335 ( -7.209 6.199 -7.215) 11.935 18.840 ( 9.311 7.772 6.102) 13.577 19.188 ( -8.154 0.523 -7.408) 11.029 19.731 ( 7.668 -1.558 4.808) 9.184 19.959 ( -4.245 1.487 -4.183) 6.142 21.042 ( 1.888 5.367 4.257) 7.106 21.287 ( -3.278 -1.596 -4.652) 5.910 22.433 ( -2.135 4.062 6.506) 7.962 22.798 ( 2.707 -1.077 -5.643) 6.350 24.322 ( -1.947 -0.791 5.296) 5.698 24.569 ( -2.627 -3.976 -6.393) 7.974 25.107 ( 4.731 -2.722 6.250) 8.298 25.205 ( 0.651 3.728 2.224) 4.390 25.630 ( -0.122 2.039 1.913) 2.798 25.786 ( 2.134 -0.895 -6.611) 7.005 26.004 ( -3.846 -3.526 1.912) 5.556 26.201 ( -0.236 -3.636 -4.428) 5.734 26.647 ( -1.881 2.391 4.158) 5.152 26.772 ( 1.214 4.528 -1.239) 4.849 26.965 ( 0.541 2.744 1.883) 3.371 27.099 ( -4.249 -0.141 -3.890) 5.763 27.352 ( 6.513 6.746 5.341) 10.791 27.436 ( 1.606 2.842 1.454) 3.573 27.551 ( 0.999 2.678 -0.427) 2.890 27.577 ( 2.439 3.497 -3.205) 5.333 27.749 ( -2.232 7.274 2.686) 8.069 27.929 ( -3.912 0.454 -2.083) 4.455 28.100 ( 1.361 7.274 2.697) 7.876 28.394 ( -9.144 12.571 -13.814) 20.796 28.892 ( -0.118 -0.809 1.366) 1.592 28.932 ( 0.732 -1.559 0.449) 1.780 29.233 ( 8.932 2.167 5.636) 10.781 29.457 ( -1.968 2.247 -4.114) 5.084 29.574 ( -4.639 1.724 2.383) 5.493 29.698 ( 6.156 -3.002 -0.957) 6.915 29.806 ( 0.560 -0.994 -0.226) 1.163 29.994 ( -0.026 0.981 -7.963) 8.024 30.414 ( -0.073 -2.237 3.523) 4.174 30.529 ( 0.207 -1.364 -0.790) 1.590 31.311 ( -3.334 -1.962 6.579) 7.632 31.577 ( 3.232 -3.404 -3.615) 5.925 31.803 ( -2.321 -2.193 -1.052) 3.362 31.899 ( -0.986 -4.983 -2.309) 5.580 33.822 ( 0.821 -4.443 3.220) 5.549 33.859 ( 1.158 -6.089 3.080) 6.921 ======================= Grid point 46 (24/44) ======================= q-point: ( 0.20 0.29 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -9.802 10.353 7.774) 16.239 0.958 ( -3.098 2.901 5.968) 7.323 1.183 ( -5.283 1.992 -4.213) 7.044 1.276 ( -11.451 2.601 -4.904) 12.726 1.389 ( -4.718 2.870 0.170) 5.525 1.433 ( 2.018 3.882 -0.339) 4.388 1.474 ( 2.991 3.855 -3.710) 6.130 1.542 ( -4.651 4.832 -3.571) 7.598 1.641 ( -0.011 4.654 1.812) 4.995 1.764 ( -4.579 0.676 -1.061) 4.749 1.826 ( -7.611 -2.861 -3.442) 8.830 1.932 ( 1.182 2.003 -8.568) 8.878 2.032 ( -2.498 2.376 1.130) 3.628 2.053 ( -0.925 8.397 1.437) 8.569 2.126 ( 2.596 0.660 -2.375) 3.580 2.182 ( -2.480 10.338 -1.266) 10.707 2.261 ( 6.242 3.820 -1.454) 7.461 2.359 ( -2.255 -0.646 1.539) 2.806 2.454 ( 4.522 1.803 -5.318) 7.210 2.477 ( 1.699 5.454 -0.669) 5.752 2.580 ( -2.329 3.844 1.776) 4.833 2.714 ( -3.925 -0.182 3.136) 5.028 2.811 ( -4.656 0.583 7.626) 8.954 2.867 ( 7.571 11.031 -2.644) 13.638 2.992 ( 0.449 2.185 2.570) 3.403 3.011 ( 0.342 3.502 -1.954) 4.025 3.099 ( 0.671 -0.358 -0.328) 0.829 3.156 ( -0.372 4.349 -1.457) 4.602 3.317 ( 0.156 6.439 1.995) 6.743 3.358 ( -0.103 7.627 2.520) 8.033 3.455 ( -1.953 4.536 4.625) 6.766 3.465 ( -5.377 1.636 -3.237) 6.486 3.572 ( -3.923 2.624 -2.071) 5.154 3.659 ( -3.344 2.570 -2.295) 4.801 3.733 ( 4.507 2.667 -2.407) 5.764 3.843 ( 4.461 1.520 0.731) 4.769 3.897 ( 0.634 5.822 0.415) 5.871 4.002 ( -0.016 0.222 -0.310) 0.382 4.030 ( -1.289 0.467 -0.645) 1.516 4.071 ( 0.142 0.855 -3.013) 3.136 4.256 ( -2.442 9.603 4.041) 10.701 4.405 ( -0.037 5.114 -0.533) 5.141 4.508 ( -5.204 4.049 -1.936) 6.872 4.608 ( 3.423 -0.293 4.076) 5.330 4.765 ( 4.850 8.220 3.250) 10.082 4.814 ( -2.673 5.028 -0.272) 5.701 4.894 ( 0.180 5.408 2.626) 6.015 4.984 ( 2.075 1.140 -6.240) 6.674 5.037 ( -2.172 1.316 -1.191) 2.805 5.093 ( -1.687 4.945 5.878) 7.864 5.172 ( -0.947 5.488 2.454) 6.085 5.202 ( 1.154 -1.453 -1.651) 2.484 5.287 ( 0.530 6.069 0.892) 6.157 5.425 ( 5.299 4.274 -3.826) 7.809 5.478 ( 3.098 4.403 -2.670) 6.009 5.587 ( -5.570 1.891 -2.845) 6.534 5.678 ( -0.568 0.179 -1.899) 1.990 5.709 ( -5.220 4.599 -2.191) 7.294 5.815 ( 4.624 10.382 6.127) 12.911 5.880 ( -3.694 5.079 1.483) 6.453 6.031 ( 1.448 12.725 -5.076) 13.777 6.066 ( -1.838 5.781 -3.628) 7.068 6.241 ( 8.610 2.240 -6.691) 11.132 6.312 ( 7.692 12.667 0.944) 14.849 6.413 ( -1.812 8.179 -1.222) 8.466 6.504 ( -5.422 14.578 0.104) 15.553 6.740 ( 2.713 9.703 -0.014) 10.075 6.804 ( -1.978 0.620 5.878) 6.233 6.911 ( 5.128 11.393 -0.889) 12.526 6.938 ( -4.716 5.088 0.503) 6.956 7.045 ( -7.356 2.727 -0.912) 7.898 7.217 ( 4.068 5.134 0.765) 6.595 7.296 ( 2.852 3.150 0.586) 4.290 7.491 ( 5.140 6.378 3.627) 8.958 7.622 ( -1.093 -0.099 2.719) 2.932 7.777 ( 2.154 0.580 -2.955) 3.703 7.894 ( -8.415 1.455 0.799) 8.577 8.032 ( -4.169 1.918 -0.032) 4.589 8.228 ( 5.701 -3.520 5.754) 8.832 8.370 ( 0.937 -8.218 -10.535) 13.394 8.417 ( -2.810 -6.206 4.866) 8.372 8.705 ( 2.321 -2.503 -0.956) 3.545 8.763 ( -5.735 -3.981 -0.604) 7.007 8.847 ( -2.737 -10.123 1.472) 10.589 9.032 ( 7.115 -6.323 2.640) 9.878 9.138 ( 6.393 -1.997 -2.192) 7.047 9.362 ( -1.363 -6.650 0.420) 6.801 9.392 ( -8.889 0.500 0.001) 8.903 9.646 ( 2.858 -4.413 3.553) 6.345 9.897 ( -2.902 2.553 -2.388) 4.543 10.063 ( -1.440 -3.738 2.148) 4.545 10.163 ( 3.369 -2.602 1.380) 4.475 10.570 ( 4.344 -0.718 -2.229) 4.935 10.601 ( -2.585 -5.028 0.860) 5.718 10.680 ( 1.877 1.571 -4.426) 5.057 10.794 ( -4.053 0.772 -1.650) 4.443 10.925 ( 11.304 -3.912 2.716) 12.266 10.990 ( 3.025 -2.088 -1.871) 4.125 11.292 ( -7.595 -11.198 -1.980) 13.675 11.399 ( -4.231 -6.202 0.070) 7.508 11.495 ( -1.912 -3.135 11.251) 11.835 11.719 ( -5.406 -6.556 -1.976) 8.724 11.844 ( -3.488 -3.667 0.404) 5.077 11.967 ( -1.640 -6.978 -5.492) 9.030 12.037 ( 5.901 -3.167 -1.981) 6.984 12.177 ( 1.712 -1.944 -2.183) 3.387 12.291 ( 9.153 -6.924 1.741) 11.608 12.434 ( 5.816 -3.829 -4.154) 8.108 12.628 ( -2.926 -1.283 -1.030) 3.357 12.740 ( -1.745 -1.728 -1.448) 2.851 12.860 ( -1.749 0.931 4.561) 4.973 12.878 ( -8.670 -2.876 4.808) 10.323 13.118 ( -0.041 -2.762 4.641) 5.401 13.293 ( 1.867 -8.036 0.586) 8.271 13.313 ( 2.088 -1.331 -2.400) 3.448 13.486 ( -0.284 0.712 -2.460) 2.577 13.549 ( 1.700 -1.786 1.773) 3.037 13.669 ( -2.693 0.814 -3.304) 4.339 13.781 ( 1.036 0.080 0.463) 1.138 13.819 ( 2.578 -2.739 0.633) 3.814 13.991 ( -0.446 2.805 1.227) 3.094 14.125 ( -3.813 2.821 1.160) 4.883 14.261 ( 0.747 -1.541 -5.187) 5.462 14.347 ( 4.811 -1.602 -2.792) 5.789 14.535 ( -0.752 4.249 4.828) 6.476 14.680 ( 2.579 -1.794 -1.411) 3.444 14.892 ( 5.424 0.228 1.436) 5.615 14.983 ( 2.240 0.975 -3.731) 4.460 15.162 ( -6.303 3.109 6.012) 9.248 15.390 ( -3.066 5.849 6.739) 9.435 15.529 ( -4.126 1.428 -1.684) 4.679 15.603 ( 3.598 3.983 -2.455) 5.902 17.110 ( -2.013 -0.263 -0.719) 2.154 17.160 ( 0.513 -0.181 -0.675) 0.867 18.158 ( -0.613 4.544 -2.115) 5.049 18.249 ( 9.520 1.360 4.158) 10.477 18.871 ( -12.592 2.662 -6.102) 14.244 19.119 ( 8.805 6.847 4.595) 12.063 19.799 ( -5.819 1.782 -6.231) 8.709 19.924 ( 6.573 -1.110 3.826) 7.686 21.067 ( -4.167 1.014 0.363) 4.304 21.240 ( 3.629 2.688 0.206) 4.520 22.409 ( -7.069 -0.650 4.431) 8.368 22.832 ( 6.714 3.948 -4.154) 8.827 24.347 ( -2.172 -0.933 5.092) 5.614 24.458 ( -2.635 -4.915 -3.114) 6.387 25.189 ( -0.420 2.847 0.119) 2.880 25.257 ( 2.521 0.948 1.577) 3.121 25.639 ( -1.099 1.454 1.072) 2.115 25.751 ( 2.243 -2.748 -5.781) 6.782 25.985 ( -2.283 -3.848 5.143) 6.817 26.159 ( 0.869 -3.495 -3.473) 5.003 26.667 ( -0.490 2.323 3.364) 4.117 26.813 ( 4.591 4.055 -1.389) 6.281 26.949 ( -4.195 2.219 -0.019) 4.745 27.030 ( -1.020 0.821 1.062) 1.686 27.373 ( -5.393 2.999 -0.915) 6.239 27.501 ( 1.047 1.259 -0.596) 1.743 27.562 ( 4.229 9.406 -1.755) 10.461 27.587 ( 1.283 4.047 -2.051) 4.715 27.791 ( -5.248 5.019 -1.624) 7.441 27.849 ( 5.105 6.289 5.979) 10.067 28.123 ( -1.802 11.824 2.782) 12.280 28.195 ( -2.430 8.469 -3.222) 9.381 28.894 ( -0.933 -1.098 0.745) 1.623 28.950 ( 1.107 -1.179 -0.154) 1.625 29.312 ( -5.499 3.766 -6.026) 8.985 29.370 ( 2.026 2.331 1.979) 3.669 29.524 ( -2.788 0.712 1.608) 3.296 29.837 ( 3.228 -6.895 2.254) 7.940 29.858 ( 3.378 -1.381 1.112) 3.815 29.922 ( 5.404 -0.014 -8.339) 9.937 30.471 ( 2.863 -3.134 1.108) 4.387 30.513 ( -0.503 -1.870 -1.267) 2.314 31.278 ( -6.633 -2.510 5.325) 8.869 31.560 ( -1.019 -3.100 -3.175) 4.553 31.787 ( 0.869 -2.554 0.619) 2.768 31.909 ( 3.346 -2.582 -0.496) 4.255 33.810 ( -3.015 -4.622 0.998) 5.608 33.919 ( 1.238 -6.944 0.813) 7.100 ======================= Grid point 47 (25/44) ======================= q-point: (-0.60 0.29 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -9.890 7.499 1.458) 12.497 0.991 ( -2.404 2.567 4.070) 5.379 1.114 ( 2.186 3.104 3.811) 5.379 1.218 ( 1.127 1.513 4.622) 4.992 1.282 ( -6.032 3.300 4.450) 8.190 1.430 ( 0.383 3.223 -2.984) 4.409 1.476 ( -2.048 6.242 0.846) 6.623 1.506 ( 3.153 4.043 -2.452) 5.683 1.636 ( -5.421 -0.559 0.926) 5.528 1.707 ( 0.211 1.526 1.686) 2.283 1.753 ( 0.513 -0.042 3.967) 4.000 1.882 ( 3.328 0.200 -5.602) 6.519 1.980 ( -1.336 4.222 -1.177) 4.583 2.071 ( -2.428 8.901 6.650) 11.373 2.135 ( -0.083 4.668 -0.708) 4.722 2.157 ( 0.954 6.109 -1.180) 6.294 2.332 ( 2.175 -3.266 -0.028) 3.924 2.390 ( 1.821 4.582 4.781) 6.868 2.478 ( 3.016 2.750 -1.827) 4.472 2.503 ( 2.478 2.732 0.901) 3.797 2.592 ( -0.285 4.480 -0.067) 4.490 2.642 ( -2.742 0.251 -0.801) 2.868 2.812 ( -5.321 0.127 7.374) 9.094 2.922 ( -3.447 4.081 0.206) 5.346 3.011 ( 4.829 0.110 -2.086) 5.261 3.072 ( 3.549 1.491 -1.735) 4.223 3.091 ( -0.831 6.998 -2.500) 7.478 3.102 ( -0.233 6.673 0.384) 6.689 3.329 ( -1.455 4.729 -1.861) 5.286 3.350 ( -0.803 7.446 -2.591) 7.925 3.368 ( -5.710 0.376 -0.702) 5.765 3.411 ( 1.930 2.724 1.966) 3.874 3.535 ( -0.777 5.319 -3.981) 6.689 3.662 ( 0.215 4.473 6.562) 7.944 3.772 ( 1.558 2.471 2.811) 4.054 3.875 ( 1.550 1.026 -3.264) 3.756 3.947 ( 1.710 3.936 2.956) 5.210 3.989 ( -0.021 1.757 -2.081) 2.724 4.022 ( -1.711 -0.585 0.355) 1.842 4.068 ( 2.492 5.043 1.814) 5.911 4.257 ( -1.057 5.295 3.981) 6.708 4.384 ( -1.480 1.472 -0.541) 2.156 4.474 ( 2.173 7.848 3.443) 8.841 4.656 ( -2.465 0.673 -0.058) 2.555 4.735 ( -1.163 2.907 -0.992) 3.284 4.853 ( -0.835 5.978 -3.684) 7.071 4.865 ( -0.857 9.919 0.080) 9.957 4.971 ( 0.075 3.768 0.431) 3.794 5.049 ( 3.119 2.005 -2.693) 4.582 5.107 ( -2.303 4.996 3.122) 6.325 5.188 ( 2.422 2.194 -0.608) 3.324 5.239 ( -0.237 2.645 6.847) 7.344 5.301 ( -2.011 2.392 1.172) 3.338 5.426 ( 1.857 3.736 -7.577) 8.650 5.441 ( -4.296 -3.236 -0.440) 5.397 5.557 ( -1.903 1.992 -4.259) 5.073 5.602 ( 7.393 10.026 -1.364) 12.532 5.721 ( 1.424 5.293 0.450) 5.500 5.852 ( -3.572 2.953 4.353) 6.358 5.876 ( 2.486 12.313 -11.327) 16.914 5.951 ( 0.224 9.589 7.310) 12.060 6.105 ( -0.428 9.886 -0.305) 9.899 6.273 ( 3.376 3.984 -2.797) 5.924 6.336 ( -0.413 9.343 -0.531) 9.367 6.437 ( 7.343 9.408 -7.768) 14.240 6.470 ( 0.322 7.765 -2.650) 8.211 6.779 ( -4.605 3.766 7.721) 9.747 6.786 ( -2.375 6.866 1.694) 7.461 6.876 ( -6.151 1.659 3.415) 7.229 6.954 ( 3.310 6.330 2.758) 7.657 7.060 ( 5.036 13.363 0.174) 14.281 7.256 ( -1.447 3.320 2.647) 4.486 7.353 ( 2.672 5.710 -1.251) 6.428 7.566 ( -1.435 0.743 -1.575) 2.256 7.622 ( -9.719 8.195 -3.678) 13.234 7.735 ( 3.473 6.638 5.427) 9.251 7.849 ( 5.442 -0.420 -2.872) 6.168 7.946 ( -2.395 2.336 -2.245) 4.029 8.191 ( -3.408 1.504 -5.914) 6.989 8.314 ( -0.658 -8.804 -1.939) 9.039 8.574 ( 6.043 -9.480 7.793) 13.679 8.688 ( -0.670 -4.844 3.456) 5.988 8.736 ( -0.221 -1.043 5.143) 5.252 8.851 ( 0.946 -10.667 1.472) 10.810 9.108 ( -3.475 -0.364 -1.903) 3.979 9.194 ( -1.200 -1.131 -4.129) 4.446 9.210 ( 0.043 -0.967 -0.799) 1.255 9.387 ( 0.462 -9.183 0.099) 9.195 9.728 ( 3.735 -4.599 -2.076) 6.278 9.831 ( -2.866 -0.227 -0.218) 2.883 10.008 ( -1.492 -12.075 -0.115) 12.168 10.205 ( -1.909 -0.912 -0.138) 2.120 10.548 ( -2.014 -5.685 0.332) 6.041 10.631 ( 4.870 -1.854 -2.941) 5.984 10.731 ( 4.858 6.545 -0.360) 8.159 10.813 ( 3.168 -0.725 4.407) 5.476 11.004 ( 0.713 -2.145 -2.209) 3.160 11.122 ( -5.287 -7.719 -3.562) 10.012 11.161 ( 4.374 -3.795 1.799) 6.064 11.263 ( -3.344 -8.543 -1.441) 9.286 11.508 ( -10.417 -6.803 -5.561) 13.628 11.574 ( -0.188 -2.412 6.707) 7.130 11.795 ( -3.108 -2.977 -0.165) 4.307 11.916 ( 0.749 -6.146 -2.190) 6.567 12.077 ( 0.111 4.283 -0.070) 4.285 12.285 ( 7.883 -2.689 1.830) 8.528 12.410 ( 0.040 -5.683 -5.581) 7.965 12.496 ( 7.222 -7.896 1.421) 10.795 12.597 ( 0.782 -4.223 -0.474) 4.321 12.695 ( -1.500 0.436 2.105) 2.622 12.791 ( -2.906 -6.083 1.432) 6.892 12.909 ( -0.303 -2.167 4.626) 5.117 13.139 ( -4.491 -0.253 5.416) 7.040 13.248 ( -2.814 -8.337 -5.740) 10.506 13.282 ( 1.315 -3.705 -5.302) 6.601 13.477 ( 1.721 2.417 -1.167) 3.188 13.596 ( 1.751 -1.402 -1.090) 2.494 13.642 ( 0.904 1.035 3.560) 3.816 13.788 ( -2.909 -3.402 -3.722) 5.821 13.853 ( -0.425 -3.883 5.978) 7.141 14.023 ( 2.212 2.188 0.112) 3.113 14.068 ( -2.578 4.271 -0.750) 5.044 14.205 ( 0.749 -0.426 -5.897) 5.960 14.383 ( 2.894 -3.789 -5.278) 7.112 14.589 ( -0.474 3.945 6.856) 7.924 14.741 ( 3.365 -1.197 3.324) 4.879 14.937 ( 1.976 3.131 -4.107) 5.530 15.049 ( 5.251 0.561 1.319) 5.443 15.116 ( -4.675 1.592 2.872) 5.713 15.381 ( -4.167 4.584 4.267) 7.522 15.420 ( -6.434 1.843 0.158) 6.695 15.639 ( 3.239 4.866 -2.930) 6.538 17.088 ( 0.056 0.330 0.625) 0.709 17.160 ( 0.187 0.586 -0.389) 0.728 18.154 ( 3.020 3.897 0.501) 4.956 18.536 ( 5.445 6.312 1.629) 8.494 18.578 ( -4.821 -2.732 0.686) 5.584 19.224 ( -2.051 5.771 -2.807) 6.737 19.717 ( 3.311 3.978 0.111) 5.176 19.998 ( -0.858 1.153 -0.641) 1.574 21.031 ( 0.555 -1.495 2.282) 2.784 21.287 ( -0.626 1.130 -0.655) 1.449 22.362 ( -2.804 -0.499 6.537) 7.130 22.872 ( 2.700 5.299 -6.495) 8.806 24.331 ( -3.160 0.861 2.664) 4.222 24.451 ( 0.867 -5.931 2.908) 6.662 25.158 ( 0.146 3.569 -4.036) 5.389 25.246 ( -2.334 0.591 -4.083) 4.740 25.631 ( -0.824 1.553 1.440) 2.273 25.750 ( 2.864 -1.910 -3.589) 4.973 26.024 ( -1.246 -4.413 7.457) 8.754 26.167 ( 2.206 -3.769 -0.675) 4.419 26.691 ( -1.371 1.407 3.408) 3.934 26.868 ( 1.784 3.669 -1.907) 4.503 26.896 ( 1.656 2.472 -1.226) 3.218 27.019 ( -3.413 2.425 1.228) 4.363 27.260 ( -3.073 2.171 -0.401) 3.784 27.490 ( 0.571 1.369 -4.270) 4.520 27.570 ( 1.197 8.487 -3.860) 9.400 27.593 ( 0.992 6.604 -0.917) 6.741 27.802 ( 0.981 7.563 6.270) 9.873 27.925 ( 1.325 2.835 -0.343) 3.148 28.091 ( -4.156 12.120 0.875) 12.842 28.197 ( -0.445 6.478 3.520) 7.386 28.883 ( -0.694 -0.951 0.215) 1.197 28.952 ( 0.150 -0.823 -1.546) 1.758 29.219 ( 1.786 3.967 -2.235) 4.890 29.413 ( 0.269 3.007 2.989) 4.248 29.511 ( -0.488 1.931 1.368) 2.416 29.758 ( -2.413 -2.718 -9.135) 9.832 29.926 ( 1.468 -2.019 3.083) 3.967 30.034 ( 4.629 -4.459 1.586) 6.620 30.488 ( 0.514 -1.021 -1.387) 1.798 30.526 ( 2.624 -6.971 -2.308) 7.797 31.225 ( -4.862 -3.487 5.126) 7.879 31.496 ( -1.100 -3.703 -3.665) 5.325 31.838 ( 2.150 -2.123 2.820) 4.133 31.966 ( 1.850 -2.359 1.218) 3.236 33.769 ( -1.530 -3.374 0.044) 3.705 33.904 ( -1.473 -5.103 -2.959) 6.080 ======================= Grid point 48 (26/44) ======================= q-point: (-0.40 0.29 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 0.310 12.895 9.252) 15.874 1.029 ( 7.167 4.067 -1.081) 8.311 1.178 ( -1.762 5.828 0.560) 6.115 1.250 ( 4.651 3.676 3.560) 6.915 1.383 ( 5.275 5.084 -3.019) 7.924 1.410 ( -0.092 3.019 1.649) 3.442 1.469 ( 2.135 8.018 -1.542) 8.440 1.556 ( 1.277 1.424 3.979) 4.415 1.675 ( 7.320 -3.090 3.502) 8.683 1.737 ( 4.858 4.264 -3.416) 7.311 1.814 ( 0.903 5.971 3.539) 6.999 1.923 ( 4.885 -1.903 -0.212) 5.247 1.966 ( 0.442 4.738 0.235) 4.764 2.116 ( -1.305 8.513 2.129) 8.872 2.139 ( 4.988 0.896 -1.257) 5.222 2.198 ( 4.333 3.279 -0.364) 5.446 2.359 ( -0.148 -2.676 0.916) 2.833 2.426 ( -2.400 4.896 2.240) 5.894 2.492 ( -5.100 -0.433 -1.739) 5.406 2.514 ( 0.670 4.121 1.791) 4.543 2.614 ( -2.038 1.203 1.092) 2.606 2.677 ( 8.079 3.161 4.645) 9.840 2.763 ( -2.031 3.734 -2.027) 4.709 2.823 ( -5.970 -0.227 -0.027) 5.975 2.996 ( -1.487 0.835 -2.340) 2.895 3.020 ( -4.404 3.577 1.653) 5.909 3.104 ( 3.794 3.330 -0.774) 5.107 3.168 ( 1.102 2.548 -1.709) 3.260 3.275 ( 0.135 8.637 0.041) 8.638 3.331 ( -2.861 5.823 -0.954) 6.558 3.380 ( 5.122 2.057 3.298) 6.430 3.473 ( 0.594 4.016 -3.880) 5.616 3.527 ( 6.146 3.018 6.156) 9.207 3.700 ( 0.402 6.767 -2.018) 7.073 3.822 ( -2.287 0.848 -3.552) 4.309 3.846 ( 1.883 2.955 2.038) 4.053 3.948 ( -0.768 2.249 -0.630) 2.459 3.966 ( -1.832 2.212 -0.461) 2.909 3.987 ( -2.579 -0.659 2.288) 3.511 4.149 ( 2.348 0.390 -1.368) 2.745 4.311 ( 1.258 4.243 5.826) 7.316 4.418 ( -0.221 2.986 0.114) 2.997 4.490 ( -2.354 5.479 4.438) 7.434 4.639 ( -0.265 5.116 0.888) 5.199 4.727 ( -2.956 4.885 -0.526) 5.734 4.760 ( -0.905 4.072 -0.845) 4.256 4.860 ( -1.525 7.877 0.243) 8.027 4.961 ( 2.817 2.734 -3.344) 5.157 5.049 ( -0.276 6.706 -0.328) 6.719 5.084 ( -0.822 7.147 -0.761) 7.234 5.228 ( 0.414 1.549 0.114) 1.607 5.259 ( -2.090 1.951 2.088) 3.540 5.312 ( 0.254 3.091 2.197) 3.801 5.383 ( 1.742 3.172 0.570) 3.664 5.414 ( 0.565 4.014 -4.028) 5.715 5.509 ( 1.786 0.076 -4.515) 4.856 5.641 ( -1.810 10.451 -4.311) 11.449 5.709 ( 3.132 5.545 0.911) 6.433 5.827 ( -0.024 0.886 -3.322) 3.438 5.943 ( 2.043 9.588 3.552) 10.427 5.985 ( 3.421 11.816 -1.551) 12.398 6.103 ( -1.119 10.198 2.314) 10.517 6.303 ( 2.550 5.645 -3.151) 6.949 6.348 ( -2.056 10.924 0.236) 11.118 6.446 ( 4.285 7.780 -5.656) 10.530 6.483 ( 4.446 -0.413 -4.409) 6.275 6.697 ( -4.512 8.357 6.021) 11.245 6.786 ( -4.315 0.936 1.177) 4.569 6.895 ( 2.981 -0.986 3.908) 5.013 7.033 ( 3.273 12.784 1.159) 13.247 7.177 ( 3.182 9.606 6.288) 11.914 7.227 ( -6.054 2.730 2.939) 7.262 7.294 ( -6.963 9.606 -8.382) 14.526 7.374 ( 0.423 4.446 1.558) 4.730 7.627 ( 0.970 3.758 2.942) 4.870 7.805 ( -0.389 4.517 -1.078) 4.661 7.827 ( -1.383 1.292 -2.461) 3.105 7.929 ( 1.804 -1.472 -3.442) 4.155 8.151 ( -4.547 -1.972 -1.679) 5.233 8.256 ( 3.685 -8.295 -3.032) 9.569 8.694 ( 0.615 -7.628 7.437) 10.671 8.770 ( 0.326 -8.651 6.448) 10.795 8.832 ( 0.186 -5.386 2.726) 6.039 8.918 ( 0.185 -3.308 3.186) 4.596 8.975 ( -1.610 1.085 -3.435) 3.946 9.106 ( 0.584 0.929 -5.712) 5.816 9.260 ( 5.239 -0.931 2.428) 5.848 9.317 ( -5.002 -6.082 -4.707) 9.174 9.694 ( -10.301 -6.463 -1.989) 12.323 9.816 ( 6.079 -2.566 -0.196) 6.601 10.063 ( 1.681 -4.892 2.528) 5.757 10.132 ( -0.154 -4.042 -1.995) 4.511 10.537 ( -0.363 -5.058 0.229) 5.076 10.656 ( 1.207 -0.815 -3.038) 3.369 10.819 ( -1.695 -0.432 0.317) 1.778 10.875 ( -5.210 -5.228 2.024) 7.653 10.930 ( 6.369 3.982 2.184) 7.823 11.057 ( -2.416 -5.269 -6.023) 8.359 11.131 ( 0.890 -1.460 3.570) 3.958 11.267 ( -1.955 -8.345 -5.680) 10.282 11.412 ( 0.656 -4.066 5.340) 6.744 11.644 ( 5.120 -4.305 -0.494) 6.707 11.727 ( -3.026 -0.511 -1.367) 3.359 11.922 ( 4.042 -7.540 -4.393) 9.617 12.137 ( 5.126 0.706 3.638) 6.325 12.236 ( -0.603 -3.794 -5.446) 6.664 12.474 ( -9.213 -2.302 0.949) 9.544 12.561 ( 0.751 -2.596 3.674) 4.560 12.596 ( 2.056 -5.869 -1.788) 6.471 12.713 ( 2.202 -5.734 -0.758) 6.189 12.819 ( 1.273 -2.618 6.046) 6.711 12.942 ( -2.417 -4.225 4.272) 6.476 13.087 ( -1.810 -3.463 -0.387) 3.926 13.107 ( -3.497 -7.022 -7.193) 10.643 13.270 ( -1.426 -5.392 1.291) 5.725 13.520 ( 3.238 3.567 -3.621) 6.027 13.604 ( 1.549 1.731 0.140) 2.327 13.694 ( 1.067 -5.299 -1.387) 5.580 13.755 ( 1.657 1.266 3.655) 4.207 13.844 ( -2.468 -4.523 0.277) 5.160 14.015 ( -2.203 3.570 -1.462) 4.442 14.075 ( 1.396 0.193 3.566) 3.835 14.179 ( 3.550 0.065 -4.959) 6.099 14.348 ( 1.297 -1.809 -7.588) 7.908 14.652 ( -2.031 2.946 7.867) 8.642 14.787 ( -2.208 -0.214 1.208) 2.526 14.973 ( -6.321 0.536 -1.825) 6.601 14.999 ( 2.404 2.018 1.922) 3.681 15.108 ( -3.728 0.282 2.365) 4.424 15.354 ( -0.086 4.655 0.449) 4.677 15.384 ( 0.976 3.978 2.793) 4.957 15.650 ( 1.450 4.962 -2.613) 5.792 17.111 ( 0.552 0.570 0.933) 1.225 17.168 ( 1.837 0.216 -0.748) 1.995 18.233 ( -5.110 2.637 1.220) 5.878 18.313 ( -1.097 2.257 -0.069) 2.510 18.882 ( 9.822 2.181 6.984) 12.248 19.041 ( -5.373 3.690 -8.196) 10.472 19.866 ( 7.140 4.461 3.883) 9.271 19.892 ( -6.472 2.091 -4.459) 8.133 21.092 ( -2.091 -0.870 3.515) 4.181 21.239 ( 1.638 -1.124 -1.670) 2.595 22.429 ( -1.166 1.179 8.300) 8.464 22.808 ( 1.133 3.600 -8.467) 9.270 24.317 ( -3.184 2.021 4.926) 6.204 24.520 ( 4.410 -4.290 1.320) 6.293 25.120 ( -3.869 0.636 -4.081) 5.659 25.140 ( 1.000 0.332 -3.924) 4.063 25.629 ( -1.410 2.799 1.513) 3.480 25.772 ( 3.764 -0.187 -3.557) 5.182 26.072 ( -2.278 -4.424 6.119) 7.887 26.207 ( 2.332 -3.687 0.032) 4.363 26.677 ( -3.975 0.921 3.698) 5.507 26.895 ( 2.382 4.014 -1.029) 4.780 26.913 ( -5.369 4.814 -1.479) 7.361 26.956 ( 5.144 1.072 0.140) 5.256 27.293 ( 3.884 2.122 1.666) 4.729 27.417 ( -2.464 2.738 -6.810) 7.742 27.559 ( 0.515 5.145 -0.606) 5.206 27.585 ( -0.290 4.999 -2.242) 5.486 27.860 ( -1.963 5.596 3.347) 6.809 27.950 ( 0.614 2.361 2.972) 3.845 28.072 ( -2.364 12.603 1.012) 12.862 28.207 ( 6.311 9.096 1.398) 11.158 28.880 ( -0.129 -0.552 0.586) 0.815 28.929 ( -0.567 -0.758 -1.973) 2.188 29.318 ( 4.609 3.988 3.838) 7.203 29.424 ( -1.126 1.860 -0.420) 2.215 29.515 ( -1.301 1.397 0.494) 1.972 29.627 ( 1.024 -2.414 -8.455) 8.852 29.954 ( -2.740 -2.120 3.237) 4.742 30.082 ( 0.771 -1.731 -0.644) 2.001 30.482 ( -0.593 -3.806 -2.020) 4.349 30.521 ( 0.575 -4.845 -2.063) 5.297 31.224 ( -1.929 -3.789 5.825) 7.212 31.473 ( 3.498 -3.544 -4.094) 6.446 31.898 ( -0.134 -3.715 3.962) 5.432 31.982 ( -0.963 -3.032 0.141) 3.184 33.773 ( 1.117 -2.801 1.103) 3.211 33.822 ( -2.675 -2.803 -4.100) 5.641 ======================= Grid point 49 (27/44) ======================= q-point: (-0.20 0.29 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 6.028 15.988 8.385) 19.033 1.102 ( -3.373 12.996 3.355) 13.839 1.172 ( 0.866 0.683 -5.691) 5.797 1.315 ( 2.628 4.304 -1.804) 5.356 1.379 ( 6.456 2.474 -3.388) 7.699 1.476 ( 4.342 2.857 -0.449) 5.218 1.544 ( 3.239 9.633 1.456) 10.267 1.643 ( 8.379 5.110 -6.866) 11.978 1.760 ( -3.847 5.455 2.939) 7.293 1.784 ( 6.088 4.718 0.082) 7.703 1.937 ( 8.151 -2.401 -5.488) 10.115 1.976 ( 1.574 3.661 -3.795) 5.503 2.026 ( 5.392 -0.665 1.179) 5.559 2.107 ( -0.136 3.480 0.684) 3.549 2.186 ( -0.184 4.755 -2.872) 5.558 2.238 ( -1.433 0.098 -6.796) 6.946 2.336 ( 1.245 4.145 1.790) 4.684 2.383 ( -4.450 3.319 5.663) 7.930 2.448 ( 2.894 -2.087 -0.521) 3.606 2.498 ( -7.141 -3.205 -4.736) 9.148 2.572 ( 2.102 4.452 2.836) 5.682 2.747 ( 1.637 -0.131 0.138) 1.648 2.766 ( 0.121 4.469 1.074) 4.598 2.860 ( 1.847 3.261 3.700) 5.267 2.875 ( -5.309 6.340 -1.335) 8.376 3.052 ( 2.612 2.944 3.685) 5.391 3.150 ( -2.894 1.673 1.394) 3.622 3.182 ( 4.109 3.525 -3.506) 6.450 3.202 ( -3.308 6.047 -2.646) 7.383 3.336 ( 2.442 6.764 2.551) 7.631 3.461 ( -0.403 0.774 -1.343) 1.602 3.474 ( 3.435 10.217 -2.796) 11.135 3.603 ( 1.929 -3.756 -4.945) 6.502 3.722 ( 3.684 6.712 0.528) 7.674 3.794 ( 0.515 6.208 0.767) 6.277 3.878 ( -0.941 2.714 0.822) 2.988 3.930 ( -3.821 -0.068 -0.568) 3.863 3.949 ( -0.109 -2.880 2.766) 3.995 3.979 ( 1.526 3.546 3.312) 5.087 4.113 ( -1.642 1.458 -3.718) 4.318 4.337 ( -2.472 0.194 -1.102) 2.713 4.384 ( -1.373 5.063 0.166) 5.248 4.502 ( -2.333 7.945 2.166) 8.559 4.561 ( -4.583 4.971 2.276) 7.134 4.702 ( -1.400 6.005 3.817) 7.252 4.777 ( -0.337 3.520 1.982) 4.054 4.828 ( 0.759 4.054 -2.601) 4.876 4.986 ( 2.853 0.646 -3.505) 4.566 5.061 ( -3.486 7.498 6.045) 10.243 5.109 ( 2.790 8.671 -0.893) 9.152 5.207 ( -1.240 5.430 -0.420) 5.586 5.272 ( 0.740 1.226 4.180) 4.418 5.317 ( -0.153 0.967 -4.398) 4.506 5.413 ( 4.526 4.104 -1.453) 6.280 5.440 ( 1.214 8.393 -1.254) 8.572 5.529 ( 4.679 5.024 -0.326) 6.873 5.574 ( 1.410 4.640 -3.614) 6.048 5.783 ( 0.370 2.691 -3.190) 4.190 5.847 ( 6.992 7.249 1.902) 10.250 5.901 ( -5.547 2.303 2.065) 6.351 6.035 ( 1.863 10.255 -6.743) 12.414 6.098 ( -1.388 13.707 3.205) 14.145 6.231 ( -3.856 5.808 -4.491) 8.293 6.329 ( -0.195 1.105 -7.715) 7.796 6.408 ( 2.326 -0.605 -3.119) 3.937 6.505 ( 1.954 16.777 0.884) 16.914 6.752 ( -0.314 7.003 3.486) 7.829 6.770 ( 0.219 8.584 0.399) 8.596 6.965 ( -1.123 2.990 0.415) 3.221 7.020 ( -1.956 11.112 2.467) 11.549 7.099 ( -2.006 8.548 -2.846) 9.229 7.238 ( 2.322 1.157 1.008) 2.783 7.355 ( -0.462 2.207 2.394) 3.289 7.455 ( 5.412 -0.415 10.147) 11.508 7.649 ( -2.861 0.806 -0.519) 3.017 7.691 ( -2.491 0.820 -6.609) 7.110 7.839 ( -0.207 0.535 3.992) 4.033 7.922 ( -1.188 -0.476 -0.154) 1.289 8.028 ( 1.014 -1.536 -1.866) 2.621 8.361 ( 6.035 -6.172 0.897) 8.678 8.679 ( -8.154 -12.626 -1.962) 15.158 8.792 ( -2.584 -5.828 0.868) 6.435 8.827 ( 1.423 -7.181 2.068) 7.607 8.862 ( -0.884 -3.080 -2.161) 3.865 9.008 ( -1.289 -3.041 3.960) 5.156 9.065 ( -2.341 -0.853 -2.573) 3.582 9.222 ( 1.851 -7.410 1.311) 7.749 9.409 ( -3.735 -5.549 -1.948) 6.967 9.603 ( 9.975 5.562 4.724) 12.359 9.839 ( -1.994 1.592 -0.912) 2.710 10.023 ( -2.007 -4.403 -1.860) 5.184 10.246 ( 4.306 -1.432 2.592) 5.226 10.522 ( -0.870 -3.906 -1.488) 4.269 10.626 ( -0.475 -0.637 -1.497) 1.695 10.742 ( 1.189 2.534 -3.122) 4.193 10.829 ( -4.940 -7.114 0.914) 8.709 10.972 ( -2.397 -6.449 -1.421) 7.026 11.101 ( 2.131 -3.587 -3.474) 5.429 11.164 ( 6.942 2.683 7.644) 10.669 11.260 ( -1.780 -1.465 0.083) 2.307 11.391 ( -2.768 -4.015 1.567) 5.123 11.684 ( 6.261 -7.026 -1.544) 9.536 11.842 ( 6.352 -7.021 4.390) 10.436 11.952 ( 3.896 -7.450 -2.749) 8.845 12.125 ( -4.841 -7.479 -5.411) 10.423 12.272 ( -3.589 -1.167 -0.536) 3.812 12.322 ( -2.732 -2.092 -1.733) 3.853 12.484 ( 2.710 -1.172 -2.357) 3.778 12.595 ( -4.291 -4.210 2.832) 6.645 12.735 ( -2.104 0.351 -2.587) 3.353 12.860 ( 0.410 -3.659 0.382) 3.701 12.937 ( -0.325 -5.907 6.841) 9.044 13.058 ( -0.358 -0.977 2.052) 2.300 13.081 ( -1.023 -4.891 -0.567) 5.029 13.260 ( -3.451 -4.734 6.096) 8.454 13.491 ( 1.278 4.145 -4.775) 6.451 13.638 ( 5.021 -4.328 -5.122) 8.377 13.678 ( -4.711 -1.730 -0.804) 5.083 13.805 ( 2.448 3.610 2.426) 4.991 13.871 ( 3.140 -2.019 -2.087) 4.277 13.989 ( -0.652 0.657 2.924) 3.067 14.130 ( -0.771 -2.649 5.066) 5.768 14.223 ( 4.586 3.013 -2.829) 6.174 14.295 ( 3.023 -0.238 -7.012) 7.639 14.633 ( -5.985 2.234 3.168) 7.131 14.722 ( -9.013 1.210 -1.548) 9.225 14.801 ( -1.956 -1.638 0.067) 2.552 15.007 ( -1.820 -1.348 -1.363) 2.643 15.182 ( 2.506 3.483 8.146) 9.207 15.330 ( -4.672 6.120 4.874) 9.112 15.481 ( 6.812 2.960 -2.135) 7.728 15.641 ( 0.135 5.140 -1.678) 5.409 17.117 ( 0.485 -0.823 -0.610) 1.133 17.195 ( 1.195 -0.214 -0.892) 1.507 18.056 ( -7.121 -1.666 -0.176) 7.316 18.447 ( 2.398 7.132 4.552) 8.794 18.750 ( -4.324 6.125 -7.317) 10.477 19.213 ( 9.392 -1.259 3.393) 10.065 19.703 ( -6.395 0.901 -4.010) 7.602 19.996 ( 2.490 2.928 1.088) 3.994 21.023 ( -3.329 4.028 0.477) 5.247 21.319 ( 2.994 -3.852 0.560) 4.911 22.428 ( -4.412 5.456 3.959) 8.057 22.797 ( 3.934 -1.478 -4.315) 6.023 24.313 ( -3.079 0.751 5.062) 5.972 24.612 ( 4.485 -3.259 -2.360) 6.026 25.022 ( -1.512 -2.565 0.126) 2.980 25.164 ( 1.660 2.554 1.291) 3.308 25.621 ( -1.013 2.771 1.537) 3.326 25.796 ( 3.506 0.219 -4.806) 5.953 26.058 ( -4.044 -3.854 2.373) 6.070 26.232 ( 1.096 -3.737 -1.982) 4.370 26.650 ( -3.530 1.557 4.311) 5.785 26.805 ( -3.156 4.746 -1.952) 6.025 26.928 ( 2.151 2.507 -0.032) 3.304 27.110 ( 7.874 1.975 2.825) 8.595 27.280 ( -4.581 4.916 -4.118) 7.881 27.376 ( 3.589 2.117 1.016) 4.289 27.548 ( -0.465 4.011 -1.747) 4.399 27.573 ( 1.193 3.294 -0.873) 3.610 27.815 ( -5.025 7.245 1.285) 8.910 27.979 ( -2.803 2.297 0.300) 3.636 28.035 ( 3.169 4.536 0.935) 5.612 28.480 ( 13.937 9.950 0.949) 17.151 28.884 ( -0.377 -0.690 0.893) 1.190 28.905 ( 0.024 -0.922 -0.407) 1.008 29.191 ( -8.362 3.984 -5.732) 10.893 29.489 ( -0.481 1.067 0.733) 1.381 29.537 ( 5.314 3.576 2.719) 6.958 29.634 ( 4.424 -1.391 -3.369) 5.732 29.884 ( -7.097 -1.951 0.789) 7.403 30.062 ( 0.001 0.591 -4.404) 4.444 30.422 ( -2.904 -4.445 -0.209) 5.314 30.525 ( 0.696 -1.389 -0.307) 1.584 31.269 ( -0.456 -2.517 6.079) 6.596 31.525 ( 5.876 -4.057 -3.151) 7.805 31.881 ( -3.865 -3.994 -0.716) 5.604 31.951 ( -2.126 -4.869 -0.456) 5.333 33.767 ( -0.019 -1.701 0.675) 1.830 33.819 ( 1.226 -4.010 2.414) 4.839 ======================= Grid point 50 (28/44) ======================= q-point: ( 0.00 0.43 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 1.569 3.593 -4.439) 5.922 1.245 ( 3.538 4.502 0.967) 5.807 1.259 ( -3.775 7.942 -5.974) 10.630 1.395 ( -0.125 -0.230 -2.675) 2.688 1.460 ( -3.456 0.063 -3.981) 5.272 1.482 ( 3.091 -2.199 -6.270) 7.328 1.608 ( -2.558 1.585 -7.783) 8.345 1.707 ( -6.080 -4.666 -11.817) 14.085 1.797 ( 3.751 1.034 -2.056) 4.400 1.836 ( -0.775 6.511 -3.778) 7.567 1.916 ( 5.834 -0.516 -1.906) 6.159 1.949 ( -5.137 -3.181 -4.670) 7.636 2.077 ( -0.335 3.253 1.666) 3.671 2.116 ( 0.515 0.597 0.381) 0.876 2.164 ( -3.072 -1.337 2.436) 4.142 2.284 ( 1.727 1.448 -2.765) 3.567 2.308 ( 1.759 -1.213 -0.761) 2.268 2.438 ( -1.697 4.244 3.512) 5.764 2.484 ( 1.426 3.019 -1.817) 3.801 2.584 ( -0.946 6.227 3.197) 7.063 2.700 ( -1.150 1.244 3.064) 3.501 2.725 ( -1.901 -3.112 6.706) 7.633 2.849 ( -8.046 4.108 1.202) 9.114 2.943 ( 6.042 2.420 -3.048) 7.187 2.993 ( 2.067 3.598 1.798) 4.523 3.037 ( -0.160 -1.847 0.024) 1.854 3.142 ( -2.791 1.984 -1.379) 3.692 3.195 ( 0.763 0.338 -0.848) 1.190 3.412 ( -2.752 0.845 -1.599) 3.293 3.460 ( 4.133 0.707 2.215) 4.742 3.485 ( 0.985 5.910 1.876) 6.278 3.608 ( 5.253 0.046 -0.082) 5.254 3.645 ( -2.977 -1.936 -4.144) 5.457 3.685 ( -0.104 0.716 1.080) 1.300 3.819 ( -5.239 0.994 -3.233) 6.235 3.830 ( -0.608 0.633 -4.539) 4.623 3.948 ( 0.385 1.963 -1.100) 2.283 3.963 ( -1.755 2.004 2.797) 3.862 4.038 ( -0.946 -3.258 -2.828) 4.416 4.110 ( 3.716 0.894 -2.997) 4.856 4.341 ( 2.775 2.290 5.148) 6.281 4.420 ( 0.731 0.261 4.507) 4.573 4.639 ( -2.568 6.185 1.537) 6.871 4.682 ( 1.062 2.889 5.461) 6.269 4.781 ( -0.529 0.450 -0.441) 0.823 4.844 ( 1.607 -0.198 6.876) 7.064 4.935 ( 2.395 4.072 -1.695) 5.019 4.999 ( 0.235 2.227 -5.065) 5.538 5.089 ( -0.517 -4.165 1.333) 4.403 5.126 ( -1.757 -1.221 -2.806) 3.528 5.271 ( -5.143 5.552 6.368) 9.891 5.305 ( -2.236 1.985 -0.010) 2.990 5.404 ( 4.929 5.105 -1.752) 7.309 5.496 ( -0.039 0.250 -2.778) 2.790 5.560 ( -0.896 4.541 -4.173) 6.232 5.637 ( -2.030 -3.588 -2.502) 4.822 5.653 ( 1.847 -3.754 -6.390) 7.638 5.795 ( 0.997 6.970 -0.877) 7.096 5.936 ( -0.633 5.983 -1.560) 6.216 5.990 ( -6.878 -1.243 -3.429) 7.786 6.166 ( 5.726 0.186 0.493) 5.750 6.191 ( -2.382 3.333 5.001) 6.464 6.340 ( 5.148 8.832 -4.662) 11.235 6.405 ( 3.892 6.913 -1.860) 8.148 6.511 ( 9.052 -3.726 2.558) 10.118 6.657 ( -7.049 4.915 -1.046) 8.657 6.839 ( 0.425 1.474 1.165) 1.926 7.002 ( 1.830 -1.083 -2.549) 3.320 7.060 ( -8.223 4.840 2.900) 9.973 7.122 ( 0.219 12.050 -0.930) 12.088 7.197 ( -10.369 -0.395 4.328) 11.242 7.305 ( 1.829 2.697 -1.090) 3.436 7.325 ( -3.287 1.703 1.900) 4.161 7.515 ( 10.627 6.556 -8.390) 15.044 7.607 ( -1.390 -0.300 1.842) 2.327 7.727 ( 3.025 -1.688 8.692) 9.357 7.868 ( 2.733 2.290 -2.986) 4.651 8.025 ( 2.315 0.270 6.877) 7.261 8.085 ( -0.985 -1.427 6.213) 6.450 8.287 ( 1.383 -6.327 -6.880) 9.449 8.348 ( -5.641 -2.876 4.132) 7.561 8.590 ( 0.583 -4.900 -6.011) 7.778 8.739 ( -2.398 -2.659 1.090) 3.743 8.809 ( -3.131 -2.566 -0.380) 4.066 8.853 ( -1.847 -0.433 1.098) 2.192 9.009 ( 5.117 -2.569 -0.773) 5.778 9.091 ( 4.057 -9.957 7.590) 13.161 9.292 ( -0.800 -2.559 -2.511) 3.673 9.847 ( 5.482 -0.181 2.498) 6.027 9.942 ( -5.949 5.297 1.279) 8.067 9.992 ( 4.302 3.645 -0.522) 5.662 10.214 ( -4.922 -2.881 -7.404) 9.345 10.506 ( -0.104 0.922 2.884) 3.030 10.617 ( -4.421 -0.176 0.882) 4.512 10.646 ( 5.401 -1.789 0.015) 5.690 10.734 ( -1.231 -1.368 -1.221) 2.209 10.846 ( 1.998 -3.321 3.935) 5.523 10.963 ( -0.967 -2.881 -6.793) 7.442 11.248 ( -2.719 -0.111 1.105) 2.937 11.289 ( -0.590 -1.524 -0.964) 1.897 11.468 ( 2.778 6.023 4.547) 8.042 11.606 ( 1.566 -6.898 0.241) 7.078 11.824 ( 0.157 -1.051 0.615) 1.228 11.855 ( 3.498 -3.975 -2.443) 5.832 11.981 ( 3.858 -2.243 2.241) 4.994 12.032 ( -4.958 -4.478 -3.461) 7.524 12.180 ( -1.248 -0.802 -5.984) 6.165 12.440 ( -4.845 -0.366 -7.271) 8.745 12.663 ( 5.261 2.991 4.860) 7.762 12.716 ( 1.879 1.784 0.230) 2.601 12.831 ( -3.525 -7.010 5.373) 9.510 12.876 ( 2.825 -5.218 2.852) 6.584 13.060 ( -8.568 5.147 5.553) 11.434 13.112 ( 4.163 0.026 5.911) 7.230 13.202 ( -1.601 -4.711 6.187) 7.940 13.529 ( 1.031 1.810 -2.415) 3.189 13.570 ( -0.972 -0.426 -4.154) 4.287 13.623 ( 5.872 -2.020 -3.606) 7.181 13.825 ( -1.574 -0.449 -0.262) 1.658 13.853 ( -3.778 0.986 -2.200) 4.482 14.006 ( -0.086 0.105 3.112) 3.115 14.182 ( 0.297 2.511 1.321) 2.853 14.257 ( 2.198 -1.721 -7.639) 8.133 14.350 ( 5.368 1.792 -5.408) 7.828 14.589 ( -3.884 1.626 3.001) 5.170 14.657 ( -0.200 0.367 -0.915) 1.006 14.773 ( 0.806 -1.417 3.562) 3.918 14.965 ( 2.876 -0.563 -3.501) 4.566 15.285 ( -8.082 1.444 8.451) 11.782 15.423 ( -0.240 2.398 4.949) 5.504 15.585 ( 5.943 0.334 -4.294) 7.339 15.654 ( -3.593 0.744 -2.176) 4.266 17.107 ( 1.272 -0.454 0.562) 1.462 17.176 ( -1.013 -0.066 -1.811) 2.076 18.031 ( 3.290 -0.097 5.670) 6.556 18.423 ( -8.071 2.163 -9.011) 12.289 18.960 ( 11.778 3.346 5.482) 13.415 19.188 ( -9.049 -0.255 -3.759) 9.802 19.707 ( 6.271 -0.636 4.572) 7.786 19.983 ( -3.791 0.664 -5.463) 6.683 21.151 ( 1.077 4.948 1.885) 5.403 21.237 ( -1.159 -3.278 -1.105) 3.649 22.497 ( -6.727 1.872 4.881) 8.520 22.774 ( 6.691 -0.878 -4.229) 7.964 24.328 ( -0.664 0.540 1.876) 2.062 24.517 ( -3.008 -1.223 -6.471) 7.240 25.064 ( 4.284 -1.187 8.767) 9.830 25.257 ( 1.051 1.272 1.538) 2.256 25.666 ( 0.738 1.038 -0.336) 1.317 25.776 ( -0.662 -0.034 -5.136) 5.178 25.941 ( -3.178 -2.044 1.764) 4.170 26.164 ( 0.384 -0.561 -4.222) 4.277 26.685 ( -1.570 1.040 3.798) 4.239 26.833 ( 1.766 1.384 -2.187) 3.133 27.003 ( 0.754 0.964 1.446) 1.894 27.095 ( -4.612 -0.040 -3.843) 6.004 27.431 ( 5.811 1.497 4.570) 7.543 27.456 ( 1.224 0.048 0.836) 1.483 27.617 ( 1.813 2.640 0.167) 3.207 27.652 ( 2.037 2.255 -0.943) 3.182 27.868 ( -3.503 3.502 0.858) 5.027 27.928 ( -3.111 -0.417 -0.647) 3.205 28.234 ( 3.422 4.202 5.499) 7.720 28.566 ( -6.850 4.274 -8.793) 11.938 28.882 ( 0.080 -0.037 0.898) 0.902 28.897 ( 0.557 -1.480 0.503) 1.660 29.273 ( 6.111 1.242 3.457) 7.130 29.478 ( -0.881 0.253 -3.493) 3.612 29.605 ( -6.624 1.061 1.907) 6.974 29.644 ( 2.552 -1.708 1.363) 3.360 29.791 ( 1.428 -0.406 -0.529) 1.576 30.018 ( 0.408 0.893 -9.400) 9.451 30.373 ( 0.082 -1.259 3.716) 3.924 30.510 ( 0.368 -0.458 -1.014) 1.172 31.285 ( -2.564 -0.611 5.246) 5.871 31.528 ( 5.511 -1.223 -4.889) 7.468 31.751 ( -4.542 -1.842 1.740) 5.201 31.820 ( 0.264 -2.141 -2.084) 2.999 33.762 ( -0.462 -1.414 1.381) 2.030 33.775 ( 1.321 -2.096 1.645) 2.974 ======================= Grid point 51 (29/44) ======================= q-point: ( 0.20 0.43 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -7.322 3.724 -9.912) 12.874 1.122 ( -6.717 7.830 3.883) 11.023 1.239 ( -2.756 3.026 -3.495) 5.383 1.288 ( -6.000 -0.630 -4.465) 7.506 1.358 ( -4.567 -4.595 2.508) 6.947 1.474 ( 5.068 -1.376 -8.486) 9.979 1.517 ( -0.442 2.675 -0.710) 2.802 1.569 ( -0.680 0.117 -2.142) 2.251 1.709 ( -6.732 0.516 -2.675) 7.262 1.756 ( -5.549 0.584 -4.103) 6.926 1.806 ( -4.824 0.328 3.292) 5.850 1.954 ( -0.701 0.056 -5.112) 5.160 2.065 ( -2.148 0.978 -0.734) 2.472 2.092 ( 0.258 -1.086 -0.225) 1.139 2.233 ( 2.511 4.923 4.954) 7.422 2.264 ( -1.302 -1.391 0.038) 1.905 2.340 ( 2.979 3.959 -3.074) 5.831 2.411 ( 1.561 2.767 -1.796) 3.650 2.510 ( -0.772 3.548 3.318) 4.919 2.585 ( -1.118 4.012 -1.554) 4.445 2.684 ( -5.207 -1.138 -0.098) 5.331 2.692 ( -4.522 4.156 4.006) 7.333 2.774 ( -4.680 -3.138 9.437) 10.992 2.967 ( -2.166 -3.415 -0.343) 4.058 3.060 ( 4.491 3.404 -3.742) 6.764 3.089 ( 2.088 5.176 -1.167) 5.702 3.119 ( 4.044 2.710 3.144) 5.795 3.200 ( -0.824 -0.121 1.439) 1.663 3.361 ( -2.989 0.458 -0.008) 3.024 3.474 ( -2.006 1.122 -1.232) 2.608 3.492 ( -3.687 -0.567 -3.473) 5.097 3.538 ( 0.899 3.200 1.815) 3.787 3.601 ( -0.867 2.739 3.612) 4.615 3.731 ( -3.059 3.169 -2.437) 5.033 3.774 ( 4.441 1.035 -4.257) 6.238 3.841 ( 4.431 -0.577 -0.408) 4.487 3.941 ( -0.673 -2.152 0.610) 2.335 3.972 ( -0.597 -0.204 0.914) 1.111 3.994 ( 0.387 -1.948 -1.631) 2.570 4.134 ( 2.698 2.487 -2.572) 4.481 4.422 ( -1.271 5.198 3.832) 6.582 4.492 ( -2.142 1.751 -0.048) 2.767 4.617 ( 0.859 3.062 6.894) 7.592 4.638 ( -3.772 3.858 -1.492) 5.598 4.853 ( 4.070 2.865 -1.190) 5.118 4.930 ( 2.721 1.646 -3.469) 4.706 4.962 ( 1.977 2.097 6.137) 6.780 4.985 ( 1.525 0.201 -2.476) 2.915 5.034 ( -1.972 0.235 -4.531) 4.947 5.113 ( 1.054 -4.942 0.545) 5.082 5.236 ( -4.631 7.495 4.423) 9.858 5.261 ( -3.427 2.612 3.065) 5.288 5.403 ( -6.776 2.239 1.400) 7.273 5.466 ( 0.617 -0.818 -6.502) 6.582 5.495 ( -0.424 -0.292 -1.471) 1.558 5.593 ( -2.417 -7.176 2.489) 7.971 5.634 ( 3.848 5.221 -3.567) 7.402 5.748 ( -5.977 2.117 -2.077) 6.673 5.849 ( 3.454 -5.573 -2.724) 7.100 6.018 ( 4.427 5.669 0.927) 7.252 6.176 ( 0.496 0.982 2.226) 2.483 6.233 ( 0.261 7.181 0.339) 7.194 6.347 ( 3.848 5.978 -5.988) 9.296 6.529 ( -2.831 4.473 -5.807) 7.858 6.558 ( 9.536 8.034 -3.434) 12.933 6.705 ( 1.357 -0.936 6.510) 6.715 6.840 ( -11.127 6.752 5.216) 14.022 6.907 ( 1.379 4.198 3.019) 5.352 6.938 ( -1.741 -0.621 -1.977) 2.707 7.075 ( -3.074 0.548 0.297) 3.137 7.222 ( 3.786 10.719 1.377) 11.451 7.349 ( 4.523 5.726 -0.482) 7.313 7.395 ( 5.978 0.918 0.933) 6.119 7.554 ( 3.877 0.408 -5.220) 6.515 7.676 ( 2.333 6.067 4.790) 8.074 7.784 ( 0.665 -0.072 -1.516) 1.657 7.916 ( -0.461 0.089 2.458) 2.502 8.053 ( -4.976 -1.205 0.210) 5.124 8.134 ( 3.364 -1.204 4.136) 5.466 8.233 ( -0.015 -3.309 -6.571) 7.358 8.300 ( -2.592 -4.459 5.903) 7.839 8.551 ( -3.005 -9.986 -2.170) 10.651 8.682 ( -1.548 -1.054 0.509) 1.941 8.796 ( -0.864 1.290 1.503) 2.161 8.934 ( 9.455 -2.648 1.332) 9.909 9.105 ( 7.713 -1.359 -2.862) 8.338 9.217 ( -0.541 -3.699 -1.218) 3.932 9.290 ( 4.339 -8.189 1.119) 9.335 9.693 ( -15.333 7.072 -0.074) 16.885 9.927 ( -7.673 -2.564 1.329) 8.198 9.968 ( -8.180 -3.063 -5.475) 10.309 10.106 ( 6.748 -1.943 3.484) 7.839 10.535 ( -0.035 -0.985 0.996) 1.401 10.584 ( -1.133 2.967 1.362) 3.456 10.718 ( 5.987 1.021 0.304) 6.081 10.825 ( 6.282 -1.269 -2.939) 7.051 10.884 ( 4.022 1.482 -2.272) 4.851 10.942 ( 3.816 -2.857 2.393) 5.334 11.138 ( -7.297 -3.629 -1.371) 8.264 11.336 ( -7.460 -0.013 -0.074) 7.460 11.391 ( -2.029 -5.272 4.500) 7.222 11.684 ( 0.367 2.610 -1.108) 2.859 11.803 ( -3.782 -1.823 -1.053) 4.328 11.831 ( -0.176 -2.872 -0.968) 3.036 11.983 ( 5.633 -2.898 -3.161) 7.080 12.132 ( 8.790 -5.896 -1.984) 10.768 12.194 ( 2.193 1.903 4.935) 5.725 12.354 ( 5.550 -3.375 -5.400) 8.447 12.602 ( -9.286 -0.541 -3.038) 9.785 12.780 ( -5.009 -3.296 2.549) 6.516 12.791 ( -0.084 5.966 0.952) 6.042 12.953 ( -0.431 -1.821 2.864) 3.421 13.001 ( -3.533 -0.685 6.609) 7.525 13.162 ( -1.443 -6.010 4.019) 7.373 13.259 ( -0.698 -1.632 2.416) 2.998 13.503 ( 0.573 0.800 -4.092) 4.209 13.561 ( 1.406 1.624 -0.771) 2.283 13.657 ( 1.834 -1.662 -4.587) 5.212 13.749 ( -3.580 -0.411 1.273) 3.821 13.830 ( 0.865 0.643 2.254) 2.498 14.044 ( 0.606 1.641 2.185) 2.800 14.172 ( -0.260 1.667 -3.198) 3.616 14.225 ( 0.066 -1.809 -1.793) 2.547 14.353 ( 3.758 1.020 -7.801) 8.719 14.608 ( 0.804 2.709 3.124) 4.212 14.653 ( 0.485 -1.369 0.563) 1.558 14.886 ( 7.733 -0.358 2.157) 8.037 14.989 ( 4.031 -0.078 -5.178) 6.562 15.207 ( -8.611 1.131 7.774) 11.656 15.472 ( -2.268 2.125 6.845) 7.517 15.525 ( -6.671 -0.722 -2.907) 7.312 15.656 ( 5.602 1.151 -3.123) 6.516 17.121 ( -1.438 0.831 -1.341) 2.135 17.154 ( 1.672 -0.415 0.140) 1.729 18.225 ( 1.132 2.102 -1.698) 2.929 18.252 ( 7.152 -0.613 3.901) 8.170 18.910 ( -14.166 0.959 -5.764) 15.324 19.227 ( 9.755 3.007 4.798) 11.280 19.831 ( -4.071 1.030 -7.181) 8.319 19.900 ( 7.520 -0.911 4.414) 8.767 21.087 ( -6.445 0.643 -0.278) 6.483 21.280 ( 3.709 1.026 0.690) 3.910 22.400 ( -8.159 -0.188 4.339) 9.243 22.885 ( 8.805 1.202 -3.832) 9.677 24.345 ( -0.754 0.255 3.312) 3.406 24.395 ( -3.492 -1.422 -3.429) 5.097 25.223 ( 3.233 0.626 4.318) 5.430 25.264 ( 0.341 0.079 -1.285) 1.332 25.670 ( -1.164 1.451 -1.614) 2.462 25.703 ( 0.321 -1.822 -3.087) 3.598 25.930 ( -1.993 -1.426 5.138) 5.692 26.129 ( 1.023 -0.263 -4.003) 4.140 26.701 ( -0.855 0.878 3.161) 3.390 26.868 ( 4.364 1.193 -2.581) 5.209 26.978 ( -4.349 0.705 -1.185) 4.563 27.038 ( 0.470 0.181 2.341) 2.394 27.399 ( -6.911 0.385 -0.616) 6.949 27.517 ( 1.673 0.384 -0.952) 1.963 27.677 ( 3.237 3.033 -2.361) 5.025 27.708 ( 5.931 3.826 -1.302) 7.177 27.857 ( -2.747 1.816 1.841) 3.773 27.919 ( 3.646 1.149 3.860) 5.433 28.325 ( -0.374 5.901 5.440) 8.034 28.346 ( -7.084 4.459 -5.122) 9.814 28.880 ( -0.688 -0.203 0.253) 0.760 28.922 ( 1.375 -1.267 0.143) 1.875 29.361 ( -4.479 1.152 -6.592) 8.052 29.396 ( 3.045 0.308 1.954) 3.631 29.534 ( -3.255 0.313 3.257) 4.616 29.734 ( 2.568 -2.639 3.951) 5.401 29.840 ( 2.634 -0.438 1.184) 2.921 29.933 ( 2.760 0.505 -9.335) 9.748 30.415 ( 0.008 -1.704 3.050) 3.494 30.492 ( -0.290 -0.399 -2.122) 2.179 31.250 ( -5.995 -0.492 3.821) 7.126 31.513 ( -1.079 -1.233 -4.735) 5.010 31.745 ( 1.639 -1.168 1.844) 2.730 31.849 ( 3.545 -2.139 -0.099) 4.141 33.743 ( -2.000 -1.726 0.569) 2.703 33.824 ( 1.677 -2.281 0.538) 2.882 ======================= Grid point 52 (30/44) ======================= q-point: (-0.60 0.43 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.915 4.880 -2.198) 5.429 1.036 ( -4.722 1.713 7.665) 9.164 1.200 ( 1.571 3.807 -0.498) 4.149 1.263 ( 3.425 2.165 1.666) 4.381 1.306 ( -5.363 -1.186 7.326) 9.156 1.457 ( 1.449 -1.169 -8.635) 8.834 1.507 ( 1.040 3.113 0.379) 3.304 1.562 ( -0.436 -0.547 2.037) 2.154 1.629 ( -3.359 -3.154 2.495) 5.240 1.676 ( 0.226 0.977 0.513) 1.126 1.808 ( 0.916 3.634 -1.739) 4.131 1.888 ( 1.837 -1.079 2.383) 3.197 2.019 ( -1.946 0.430 0.480) 2.050 2.109 ( -2.585 -0.258 4.359) 5.074 2.258 ( -1.121 3.087 -4.580) 5.636 2.284 ( 1.346 2.549 2.520) 3.829 2.349 ( 0.290 5.367 -0.091) 5.376 2.467 ( 2.368 1.669 2.399) 3.761 2.487 ( 0.686 -1.970 -3.854) 4.382 2.531 ( -0.315 0.234 2.212) 2.247 2.656 ( -0.554 2.533 0.968) 2.768 2.694 ( -0.178 2.846 1.192) 3.090 2.782 ( -6.364 -1.557 10.515) 12.389 2.924 ( -0.876 -4.292 -2.705) 5.148 3.021 ( -3.739 3.890 -1.012) 5.490 3.095 ( 0.787 0.901 -0.579) 1.329 3.188 ( -1.830 1.814 -0.239) 2.587 3.261 ( -1.983 -1.800 -5.262) 5.904 3.279 ( 4.808 5.669 0.058) 7.433 3.395 ( -0.867 0.561 -2.201) 2.431 3.451 ( 1.129 -0.308 -0.153) 1.180 3.536 ( -0.904 5.210 -0.812) 5.350 3.644 ( -2.851 4.773 -0.878) 5.628 3.727 ( 2.582 2.409 9.954) 10.562 3.830 ( -0.064 -0.953 -2.808) 2.966 3.858 ( 2.528 1.671 1.474) 3.370 3.948 ( 2.308 -4.343 0.711) 4.970 3.990 ( 1.103 -0.428 0.202) 1.200 4.005 ( -0.532 0.411 0.338) 0.752 4.156 ( 1.446 2.633 -1.794) 3.499 4.353 ( -3.260 3.332 -6.464) 7.969 4.424 ( 0.785 1.385 2.491) 2.957 4.614 ( -5.211 1.262 -0.600) 5.395 4.700 ( -0.903 3.660 8.474) 9.275 4.828 ( 0.491 7.255 -2.143) 7.581 4.901 ( -1.225 1.061 -4.716) 4.986 4.994 ( 2.971 2.191 -3.344) 4.981 5.018 ( 2.293 -0.619 -4.351) 4.957 5.061 ( 1.915 1.268 4.705) 5.236 5.143 ( 1.130 -4.814 1.463) 5.157 5.231 ( -2.483 2.756 6.319) 7.327 5.267 ( -1.603 -0.124 6.686) 6.877 5.323 ( -5.002 -2.930 -0.543) 5.822 5.368 ( -1.273 4.862 1.873) 5.363 5.453 ( 2.168 -1.213 -5.283) 5.838 5.565 ( -5.470 -2.178 -3.552) 6.876 5.667 ( 3.306 -2.164 3.810) 5.489 5.799 ( 5.749 5.929 -1.322) 8.363 5.952 ( 10.136 0.003 1.285) 10.217 6.054 ( -0.675 10.667 -1.371) 10.776 6.190 ( -3.954 1.790 -3.741) 5.731 6.216 ( 1.620 5.435 -1.297) 5.818 6.341 ( -0.306 -3.469 -1.720) 3.884 6.399 ( 2.054 6.146 -2.141) 6.824 6.652 ( -2.355 11.040 -7.654) 13.639 6.705 ( 4.583 6.113 0.750) 7.676 6.797 ( -2.505 -0.524 3.071) 3.998 6.837 ( -4.963 0.773 4.150) 6.515 6.929 ( -9.348 -1.461 4.792) 10.606 7.128 ( 7.175 6.716 -1.854) 10.001 7.291 ( 1.855 8.639 2.020) 9.063 7.408 ( 2.296 8.482 -0.333) 8.794 7.491 ( 2.090 5.193 -0.239) 5.603 7.576 ( -0.240 -0.388 1.380) 1.454 7.757 ( 2.231 1.336 2.147) 3.372 7.797 ( -0.408 0.553 0.626) 0.930 7.832 ( 1.575 3.166 -7.548) 8.336 7.963 ( -4.084 -4.180 -2.077) 6.203 8.096 ( -3.609 -3.748 -11.149) 12.304 8.215 ( -2.724 -2.980 2.026) 4.517 8.406 ( 3.707 -3.882 5.952) 8.015 8.498 ( -0.691 -9.964 5.272) 11.294 8.730 ( 3.418 -0.704 3.564) 4.988 8.804 ( 0.227 3.645 3.389) 4.982 9.085 ( 3.703 0.431 -1.336) 3.960 9.159 ( 0.231 -4.443 -4.700) 6.472 9.185 ( 4.352 -0.679 -3.899) 5.882 9.314 ( -1.333 2.112 2.371) 3.444 9.582 ( 0.278 -8.627 3.720) 9.399 9.759 ( -10.377 -6.361 -0.794) 12.197 9.836 ( -0.321 -0.968 -0.959) 1.400 10.180 ( -1.287 -0.888 -1.170) 1.953 10.519 ( -1.650 2.032 -1.439) 2.987 10.574 ( 1.644 -2.788 -2.795) 4.276 10.850 ( 1.949 3.874 2.422) 4.968 10.878 ( 6.959 3.896 0.564) 7.995 10.964 ( -3.979 -0.743 -3.207) 5.165 11.007 ( 6.634 -3.194 -3.787) 8.280 11.101 ( 1.709 -2.363 7.177) 7.747 11.137 ( -6.964 -3.236 1.604) 7.845 11.353 ( -7.792 -5.308 -2.679) 9.802 11.622 ( 0.836 3.233 -2.839) 4.383 11.741 ( -2.072 -0.048 0.176) 2.080 11.822 ( -0.952 -3.208 0.033) 3.346 12.151 ( 7.183 1.768 1.767) 7.606 12.238 ( 5.549 -5.661 0.705) 7.959 12.292 ( 2.058 -1.980 -1.905) 3.433 12.336 ( -1.958 -3.563 0.198) 4.070 12.514 ( 3.992 -3.081 1.286) 5.204 12.692 ( -5.740 -0.731 0.128) 5.788 12.789 ( -1.148 5.853 1.493) 6.148 12.954 ( -3.132 4.698 0.712) 5.691 12.974 ( -2.424 -10.712 0.826) 11.014 13.145 ( -3.113 -7.356 -3.615) 8.767 13.220 ( -3.016 0.952 1.808) 3.643 13.505 ( 2.110 -0.005 -1.294) 2.475 13.579 ( 2.193 0.446 0.718) 2.350 13.653 ( 1.988 -0.037 -0.080) 1.990 13.739 ( -2.580 -1.060 2.467) 3.724 13.830 ( -2.855 0.228 -0.230) 2.874 14.073 ( 0.392 1.655 1.776) 2.459 14.140 ( 0.894 2.353 -3.652) 4.435 14.187 ( -0.329 -1.238 -4.799) 4.967 14.347 ( 4.826 -0.290 -7.837) 9.208 14.643 ( -0.174 1.232 4.050) 4.237 14.730 ( 2.857 -0.183 6.299) 6.919 14.984 ( 3.248 1.239 -5.433) 6.450 15.046 ( 5.484 -0.345 0.785) 5.550 15.152 ( -6.287 1.397 5.382) 8.393 15.375 ( -4.607 -1.493 -2.640) 5.516 15.485 ( -4.840 2.020 7.024) 8.766 15.708 ( 3.516 1.672 -3.000) 4.915 17.101 ( 0.568 0.549 0.265) 0.834 17.176 ( 0.502 0.597 -0.278) 0.828 18.203 ( 4.174 1.055 -1.255) 4.484 18.533 ( -1.829 -1.168 4.869) 5.330 18.619 ( -0.271 1.747 -0.703) 1.903 19.311 ( -2.449 2.306 -5.180) 6.176 19.784 ( 4.997 2.000 0.581) 5.414 20.008 ( 0.310 0.043 0.682) 0.750 21.016 ( -1.574 -0.213 2.605) 3.051 21.302 ( -0.599 0.365 -2.765) 2.853 22.360 ( -3.043 0.045 8.193) 8.740 22.941 ( 3.453 1.563 -7.709) 8.591 24.348 ( -0.733 0.618 2.018) 2.234 24.372 ( -0.090 -1.855 3.195) 3.696 25.210 ( 0.566 1.482 -5.532) 5.755 25.245 ( -3.378 -0.400 -4.251) 5.444 25.661 ( 1.614 1.099 1.810) 2.663 25.710 ( 0.876 -1.464 0.275) 1.728 25.968 ( -1.523 -1.310 7.026) 7.308 26.126 ( 2.348 -0.651 -2.143) 3.245 26.714 ( -1.701 0.615 2.822) 3.352 26.906 ( 3.294 0.353 -3.890) 5.109 26.927 ( -0.501 0.948 0.876) 1.384 27.075 ( -0.145 1.745 1.491) 2.300 27.272 ( -4.681 0.080 0.807) 4.751 27.512 ( 0.994 0.639 -4.108) 4.274 27.695 ( 0.417 2.943 -4.136) 5.094 27.702 ( 1.574 3.176 -3.304) 4.846 27.938 ( 1.096 4.274 6.621) 7.957 27.972 ( 0.510 1.414 -0.648) 1.637 28.218 ( -0.201 2.468 -2.179) 3.298 28.356 ( -4.635 5.263 5.566) 8.953 28.873 ( -0.226 -0.018 0.223) 0.318 28.931 ( 0.174 -0.983 -1.180) 1.546 29.275 ( 1.835 1.389 -2.284) 3.243 29.449 ( 0.927 0.638 2.658) 2.886 29.529 ( -1.205 0.201 2.502) 2.784 29.704 ( -3.836 -1.678 -5.946) 7.272 29.898 ( 1.045 -0.712 3.198) 3.439 29.983 ( 6.283 -0.880 -0.364) 6.355 30.425 ( -1.532 -2.567 1.310) 3.263 30.474 ( 1.143 -0.360 -2.024) 2.352 31.189 ( -4.228 -0.559 3.031) 5.232 31.441 ( -0.137 -1.457 -5.266) 5.465 31.807 ( 1.553 -0.763 3.133) 3.580 31.908 ( 1.844 -2.116 1.084) 3.009 33.720 ( -0.843 -1.257 0.485) 1.590 33.828 ( -0.435 -1.991 -2.015) 2.866 ======================= Grid point 53 (31/44) ======================= q-point: (-0.40 0.43 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 7.972 11.021 5.245) 14.579 1.103 ( 7.233 1.665 -1.113) 7.506 1.225 ( 5.003 0.794 -2.670) 5.727 1.291 ( -1.785 -0.451 3.398) 3.865 1.440 ( 3.412 0.200 4.453) 5.613 1.448 ( 3.601 0.455 -5.270) 6.399 1.576 ( 1.069 1.376 4.166) 4.516 1.616 ( 5.869 3.260 0.377) 6.724 1.636 ( 9.745 0.877 3.416) 10.364 1.756 ( 6.748 -0.451 1.044) 6.843 1.857 ( 8.951 -0.676 -4.789) 10.174 1.908 ( -4.231 0.166 -2.230) 4.786 2.028 ( 0.132 1.974 4.319) 4.750 2.107 ( -0.863 -1.917 3.616) 4.183 2.240 ( 4.920 0.949 -0.630) 5.050 2.285 ( -1.309 4.532 -2.426) 5.305 2.343 ( -2.534 0.666 1.391) 2.967 2.403 ( -5.282 -2.450 -3.188) 6.638 2.551 ( -0.594 1.061 4.100) 4.277 2.612 ( -0.678 -0.800 0.439) 1.136 2.649 ( 1.074 6.715 3.624) 7.706 2.705 ( 2.588 1.038 -0.535) 2.839 2.764 ( -4.292 -2.928 4.376) 6.793 2.883 ( 0.438 4.520 0.733) 4.600 2.979 ( 0.638 -0.908 -0.716) 1.321 3.100 ( -1.863 2.326 0.240) 2.990 3.149 ( -1.563 -1.614 -0.048) 2.247 3.180 ( 1.619 2.029 -2.191) 3.397 3.391 ( 2.228 3.511 1.204) 4.329 3.408 ( 2.228 2.161 3.402) 4.606 3.448 ( 0.779 -0.187 -3.067) 3.170 3.535 ( 0.908 3.377 -0.287) 3.508 3.622 ( 2.623 4.644 2.266) 5.795 3.714 ( -4.973 -2.944 -8.161) 10.000 3.892 ( 3.520 3.191 6.124) 7.751 3.916 ( 1.133 3.936 0.237) 4.103 3.949 ( -4.094 -0.279 1.181) 4.270 3.969 ( -2.140 -0.846 -1.689) 2.855 3.999 ( 1.478 -0.766 -1.170) 2.035 4.140 ( 2.596 -0.243 -3.105) 4.055 4.365 ( 3.577 1.057 4.360) 5.738 4.423 ( -7.553 -1.622 -3.812) 8.615 4.581 ( 3.912 2.709 8.426) 9.676 4.739 ( -3.491 2.006 4.117) 5.759 4.798 ( -2.523 2.336 -2.253) 4.111 4.845 ( -0.443 4.812 -5.532) 7.345 4.950 ( -0.662 1.313 -5.606) 5.796 5.017 ( 1.931 1.642 -3.049) 3.965 5.133 ( -2.455 -0.476 3.825) 4.570 5.157 ( 0.936 2.374 3.476) 4.312 5.245 ( -3.718 0.424 7.256) 8.165 5.275 ( 0.305 0.643 2.532) 2.630 5.348 ( 2.733 1.223 0.766) 3.091 5.418 ( -1.191 -0.840 -3.661) 3.940 5.465 ( 4.678 0.886 0.034) 4.761 5.470 ( 6.818 -1.393 -3.111) 7.622 5.757 ( 0.681 2.218 2.506) 3.415 5.811 ( 1.113 2.124 -3.374) 4.139 5.963 ( -0.251 9.386 -3.605) 10.058 6.066 ( -6.387 4.692 4.344) 9.038 6.196 ( 11.989 3.859 -9.711) 15.904 6.208 ( -2.421 -0.776 0.757) 2.653 6.354 ( 0.279 -0.468 2.504) 2.562 6.501 ( -2.215 6.997 -9.070) 11.667 6.531 ( 4.149 6.282 5.550) 9.353 6.650 ( -4.151 1.146 -3.182) 5.354 6.804 ( -1.667 2.916 2.459) 4.163 6.813 ( -0.498 1.943 2.724) 3.383 6.894 ( 1.363 0.107 5.092) 5.272 7.200 ( 1.912 5.098 0.710) 5.491 7.322 ( -1.699 5.041 3.469) 6.351 7.429 ( -2.616 9.797 1.913) 10.319 7.443 ( -3.720 4.754 -2.100) 6.392 7.489 ( -4.143 4.118 -4.111) 7.143 7.704 ( -0.445 3.208 -2.912) 4.355 7.822 ( -4.099 -3.765 -3.824) 6.752 7.864 ( 4.010 0.252 -5.008) 6.420 7.919 ( -0.921 2.929 0.262) 3.081 8.034 ( 7.594 -8.949 3.341) 12.203 8.078 ( -7.809 -2.453 -3.401) 8.864 8.513 ( 0.324 -7.979 3.797) 8.843 8.533 ( -0.169 -9.124 3.563) 9.796 8.810 ( -0.958 -0.314 4.900) 5.002 8.862 ( 0.382 -0.757 3.526) 3.626 9.011 ( -7.475 0.620 -2.706) 7.974 9.149 ( -1.637 0.891 -4.537) 4.905 9.245 ( -8.445 0.029 -4.274) 9.465 9.292 ( 10.143 2.574 3.036) 10.896 9.569 ( -1.998 -1.976 1.334) 3.111 9.731 ( 10.177 -6.278 -0.364) 11.963 9.968 ( 9.936 -3.316 5.321) 11.749 10.053 ( -6.744 -2.502 -6.499) 9.695 10.490 ( 0.194 1.183 -0.533) 1.312 10.582 ( 1.987 -4.699 -3.266) 6.058 10.794 ( -6.984 -1.826 -0.294) 7.224 10.856 ( -4.913 3.082 2.910) 6.489 10.959 ( -3.497 -2.873 -3.664) 5.824 11.045 ( 7.254 3.418 3.303) 8.673 11.141 ( -2.658 0.788 -3.605) 4.548 11.174 ( 3.415 -1.125 -0.353) 3.613 11.326 ( 6.587 -3.466 10.036) 12.495 11.596 ( -1.690 -0.367 -7.640) 7.833 11.725 ( -0.220 1.016 0.344) 1.095 11.794 ( -0.123 -4.690 -1.666) 4.979 12.110 ( -4.690 -1.738 -3.019) 5.842 12.241 ( 5.342 2.414 0.708) 5.904 12.415 ( -5.004 -2.294 5.486) 7.771 12.482 ( 4.613 -5.214 1.168) 7.059 12.551 ( 5.913 -1.525 -0.166) 6.108 12.579 ( -4.368 -2.152 -2.426) 5.440 12.790 ( -0.051 0.165 2.474) 2.480 12.915 ( -2.204 1.199 1.162) 2.765 12.959 ( 1.701 -4.856 -0.966) 5.235 13.001 ( -6.550 -5.333 -2.844) 8.912 13.213 ( -2.098 -0.489 4.037) 4.576 13.531 ( 4.128 -1.065 -4.575) 6.253 13.649 ( -0.667 2.217 0.818) 2.456 13.688 ( 1.172 3.345 0.711) 3.615 13.736 ( 2.858 -2.645 3.340) 5.130 13.764 ( -2.107 -2.871 -0.067) 3.562 14.058 ( -4.266 0.628 -1.699) 4.634 14.110 ( 1.055 1.667 -0.006) 1.973 14.191 ( 5.900 0.508 -3.970) 7.130 14.341 ( 4.423 0.402 -9.551) 10.533 14.692 ( -0.295 0.676 5.139) 5.191 14.791 ( -4.389 0.431 3.972) 5.935 14.979 ( -9.493 0.134 -2.479) 9.812 15.026 ( 1.933 0.565 1.006) 2.252 15.110 ( -1.154 0.033 3.098) 3.306 15.396 ( 8.177 0.715 -2.420) 8.558 15.461 ( -5.653 2.166 6.541) 8.913 15.719 ( 1.295 1.638 -2.422) 3.198 17.135 ( 1.088 1.315 0.953) 1.955 17.167 ( -0.105 -0.476 -0.921) 1.042 18.246 ( -13.856 -0.261 -3.337) 14.255 18.345 ( 8.187 0.813 4.290) 9.279 18.913 ( 12.529 0.772 8.747) 15.300 19.101 ( -8.452 1.711 -11.560) 14.422 19.916 ( -7.613 0.760 -2.863) 8.169 19.939 ( 6.195 1.780 3.673) 7.419 21.085 ( 3.186 -0.034 4.827) 5.784 21.225 ( -1.858 -0.290 -4.701) 5.063 22.445 ( 0.038 0.369 10.304) 10.311 22.857 ( -0.941 1.178 -10.006) 10.119 24.352 ( -2.323 1.131 2.802) 3.812 24.455 ( 5.434 -1.787 3.049) 6.482 25.092 ( -6.254 -0.906 -5.245) 8.213 25.182 ( 2.220 1.232 -3.962) 4.706 25.682 ( -1.087 1.940 0.881) 2.392 25.763 ( 3.615 -0.669 0.391) 3.697 26.003 ( -2.422 -1.911 5.324) 6.154 26.160 ( 2.769 -1.067 -0.873) 3.093 26.697 ( -3.095 0.634 2.840) 4.248 26.905 ( 1.152 -0.204 -3.714) 3.894 26.992 ( 4.730 1.263 3.643) 6.102 27.014 ( -3.977 2.796 -1.588) 5.115 27.308 ( 3.989 0.044 2.634) 4.781 27.453 ( -1.770 0.814 -6.219) 6.517 27.659 ( -0.676 3.239 -2.562) 4.185 27.672 ( -1.059 2.528 -3.178) 4.197 27.937 ( -3.171 1.822 2.237) 4.287 27.989 ( 1.184 1.199 2.809) 3.276 28.248 ( -8.442 4.445 -1.904) 9.729 28.356 ( 11.534 4.182 4.388) 13.030 28.876 ( -0.000 0.161 0.513) 0.537 28.908 ( -0.835 -1.012 -1.562) 2.040 29.376 ( 6.415 1.372 3.727) 7.545 29.454 ( -5.291 0.977 -1.045) 5.481 29.535 ( -0.445 0.497 0.985) 1.190 29.572 ( 0.630 -2.053 -5.098) 5.531 29.923 ( -2.407 -0.776 2.789) 3.765 30.067 ( 3.612 -0.102 -1.052) 3.763 30.392 ( -2.885 -2.597 0.394) 3.902 30.489 ( 1.998 -0.439 -1.151) 2.348 31.181 ( -0.464 -0.808 3.517) 3.638 31.416 ( 4.006 -1.617 -5.593) 7.068 31.846 ( -1.614 -1.171 3.803) 4.294 31.921 ( -1.401 -2.045 0.332) 2.501 33.729 ( 0.663 -1.206 1.205) 1.829 33.779 ( -1.625 -1.188 -2.748) 3.407 ======================= Grid point 54 (32/44) ======================= q-point: (-0.20 0.43 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 6.238 4.242 -3.318) 8.241 1.214 ( -1.904 4.052 -0.445) 4.500 1.283 ( 8.465 4.277 -2.096) 9.712 1.369 ( 5.684 1.486 -0.785) 5.927 1.433 ( 3.931 1.953 -6.060) 7.483 1.488 ( 1.715 -0.973 2.385) 3.094 1.678 ( 7.204 1.778 -5.393) 9.173 1.720 ( 4.579 5.434 -0.968) 7.171 1.794 ( 1.078 0.852 -4.280) 4.496 1.824 ( 7.456 -0.347 0.365) 7.473 1.895 ( 5.898 -2.712 -11.660) 13.345 1.999 ( 5.695 -0.745 2.441) 6.241 2.057 ( -2.258 3.078 2.273) 4.443 2.105 ( -3.180 -1.243 -1.007) 3.559 2.242 ( -4.435 0.821 -1.029) 4.626 2.295 ( 2.793 0.937 -0.693) 3.027 2.328 ( 3.538 -1.198 5.043) 6.276 2.342 ( -1.537 -2.844 -0.938) 3.366 2.504 ( -4.546 4.277 4.118) 7.478 2.541 ( -1.767 1.443 0.541) 2.345 2.696 ( -0.036 5.199 0.756) 5.253 2.717 ( -2.594 -0.877 2.765) 3.892 2.834 ( 5.265 1.319 1.035) 5.526 2.937 ( 2.602 3.945 1.286) 4.898 2.993 ( -2.005 2.765 -2.783) 4.406 3.012 ( -2.089 -3.137 3.232) 4.965 3.194 ( 1.162 1.855 -1.531) 2.671 3.245 ( 4.052 2.123 2.863) 5.397 3.320 ( -2.027 3.298 -4.598) 6.011 3.441 ( 0.767 2.483 -2.257) 3.442 3.486 ( 0.878 2.709 2.118) 3.549 3.510 ( 0.749 -4.170 -4.020) 5.841 3.625 ( 2.463 3.312 1.050) 4.259 3.790 ( 1.596 -0.813 2.942) 3.444 3.864 ( 0.872 0.084 -0.491) 1.005 3.898 ( -1.708 2.843 -1.163) 3.514 3.915 ( -2.662 0.763 0.225) 2.778 3.976 ( -1.556 1.220 1.794) 2.670 4.038 ( 4.247 1.111 -0.496) 4.418 4.128 ( -0.904 1.535 -3.396) 3.835 4.296 ( -2.179 -3.228 -0.941) 4.007 4.477 ( 0.299 2.565 0.865) 2.723 4.568 ( -6.832 0.949 0.831) 6.947 4.688 ( -2.201 3.918 4.356) 6.259 4.775 ( -0.809 1.277 3.543) 3.852 4.801 ( -0.233 0.989 -0.566) 1.164 4.907 ( 2.029 1.470 -3.146) 4.022 5.037 ( 0.295 4.214 -1.141) 4.376 5.097 ( -1.084 -1.768 0.413) 2.114 5.173 ( -2.038 -0.840 -0.075) 2.206 5.280 ( -3.733 2.653 7.668) 8.932 5.307 ( 0.547 1.475 1.798) 2.389 5.366 ( 2.639 2.102 -4.625) 5.725 5.437 ( 6.126 -0.441 2.022) 6.466 5.568 ( 4.254 3.569 -0.738) 5.602 5.620 ( 7.702 -0.399 -4.292) 8.826 5.686 ( 0.949 2.795 -5.980) 6.669 5.876 ( 2.556 7.091 1.065) 7.612 5.920 ( -6.059 9.332 -0.139) 11.127 5.997 ( 3.285 -0.896 -2.279) 4.097 6.180 ( -2.895 -5.851 4.307) 7.821 6.245 ( -5.629 6.397 -4.794) 9.777 6.329 ( -1.342 4.152 -6.785) 8.067 6.384 ( 2.149 0.573 1.389) 2.622 6.422 ( 3.367 6.435 -9.147) 11.680 6.780 ( -7.186 5.053 6.186) 10.745 6.813 ( 2.204 0.528 0.169) 2.273 6.883 ( 7.255 -1.177 6.372) 9.728 7.024 ( 6.943 8.569 1.854) 11.183 7.172 ( -8.058 2.716 5.172) 9.952 7.305 ( -2.949 4.729 0.056) 5.574 7.365 ( -1.854 3.756 0.784) 4.261 7.399 ( -4.465 5.002 3.998) 7.807 7.447 ( 0.645 -0.158 -3.769) 3.827 7.638 ( -2.394 0.677 -1.317) 2.815 7.683 ( -3.166 -1.639 -5.649) 6.680 7.876 ( -0.301 3.071 -3.413) 4.602 7.921 ( 2.279 -1.005 2.558) 3.570 8.006 ( 2.549 -0.745 3.226) 4.179 8.231 ( 5.276 -3.640 5.153) 8.224 8.440 ( -5.009 -7.138 -1.830) 8.910 8.634 ( 3.543 -7.618 -0.387) 8.411 8.764 ( -6.109 3.143 1.565) 7.046 8.872 ( -0.550 0.899 -2.652) 2.854 8.914 ( -4.187 -4.729 5.523) 8.390 8.984 ( -8.161 -7.058 -1.615) 10.909 9.072 ( -3.606 -4.614 -2.241) 6.270 9.337 ( -1.987 -1.492 -1.363) 2.835 9.782 ( 14.505 10.004 2.414) 17.785 9.837 ( -2.929 -0.928 -2.597) 4.024 9.937 ( 6.475 -4.144 -1.111) 7.767 10.202 ( 8.502 -2.666 1.531) 9.041 10.497 ( 0.420 2.036 -0.031) 2.079 10.582 ( 2.517 -4.554 -2.514) 5.779 10.700 ( -5.844 -2.209 2.902) 6.889 10.810 ( -3.512 2.831 1.816) 4.863 10.841 ( -7.104 -4.863 1.194) 8.692 11.030 ( -0.538 -2.765 -5.643) 6.307 11.257 ( 6.536 2.348 2.001) 7.228 11.263 ( 5.179 2.685 5.335) 7.905 11.387 ( -5.085 1.758 -7.503) 9.232 11.555 ( 5.251 -3.937 2.001) 6.861 11.765 ( 3.004 -1.030 3.925) 5.049 11.809 ( 3.156 -5.288 -1.739) 6.399 11.986 ( -4.901 -4.687 -2.699) 7.299 12.235 ( -11.744 -3.261 -2.073) 12.364 12.321 ( -3.317 3.984 -5.493) 7.553 12.485 ( 7.607 -1.966 -3.727) 8.696 12.526 ( -0.222 -0.776 4.491) 4.563 12.738 ( -2.235 -0.534 -0.590) 2.372 12.775 ( 6.419 -3.084 0.346) 7.130 12.835 ( -4.933 -2.613 3.582) 6.633 12.985 ( 0.241 -2.851 7.373) 7.909 13.055 ( 4.739 -0.510 2.333) 5.306 13.205 ( -5.078 -0.786 5.911) 7.832 13.554 ( 3.750 0.366 -5.944) 7.038 13.583 ( -1.048 0.941 -1.572) 2.110 13.648 ( -3.125 -1.544 -3.135) 4.688 13.818 ( 2.214 -1.433 2.412) 3.575 13.852 ( 3.816 0.475 1.971) 4.321 13.995 ( -1.089 0.054 0.619) 1.253 14.143 ( 1.817 1.624 1.272) 2.749 14.269 ( 5.499 0.092 -2.754) 6.151 14.307 ( 4.702 1.702 -10.095) 11.266 14.682 ( -8.035 1.789 2.469) 8.594 14.727 ( -3.789 -0.784 1.217) 4.056 14.777 ( -6.763 -0.312 -0.609) 6.798 14.984 ( -1.812 -0.699 -2.019) 2.801 15.236 ( 3.016 1.492 8.110) 8.781 15.423 ( -5.098 2.569 5.298) 7.789 15.512 ( 7.428 0.420 -3.754) 8.333 15.708 ( -0.438 1.461 -1.588) 2.202 17.112 ( -1.429 0.075 -0.994) 1.743 17.187 ( 1.046 -0.376 -0.207) 1.131 18.031 ( -7.013 -0.577 0.441) 7.051 18.550 ( 4.184 2.629 5.224) 7.191 18.836 ( -3.064 2.119 -10.122) 10.786 19.192 ( 7.818 -0.610 5.543) 9.603 19.717 ( -8.348 0.367 -2.791) 8.810 20.038 ( 1.352 1.109 0.074) 1.750 21.121 ( 0.123 4.928 -0.765) 4.988 21.233 ( 2.448 -4.382 1.435) 5.221 22.519 ( -3.017 2.790 7.328) 8.402 22.761 ( 1.602 -1.430 -7.088) 7.406 24.334 ( -1.828 0.744 1.413) 2.427 24.567 ( 4.158 -1.058 -2.054) 4.757 24.975 ( -3.048 -1.339 2.399) 4.103 25.209 ( 2.666 1.254 0.206) 2.953 25.668 ( -0.813 1.401 0.224) 1.635 25.804 ( 2.051 0.479 -2.573) 3.325 25.987 ( -3.488 -2.368 1.915) 4.631 26.185 ( 1.511 -1.026 -2.252) 2.899 26.681 ( -2.498 0.926 3.715) 4.571 26.859 ( -1.340 0.857 -3.023) 3.416 26.978 ( 0.799 1.760 -0.130) 1.937 27.135 ( 4.893 0.624 2.218) 5.409 27.345 ( -1.949 1.543 -2.797) 3.742 27.398 ( 3.642 0.165 0.633) 3.700 27.624 ( -1.447 2.304 -0.940) 2.878 27.632 ( 0.380 1.921 -0.691) 2.077 27.927 ( -0.845 2.646 1.027) 2.961 28.017 ( -8.036 1.437 2.840) 8.644 28.122 ( 3.285 2.889 -0.694) 4.429 28.607 ( 9.264 2.889 1.255) 9.785 28.876 ( -0.473 -0.107 0.156) 0.509 28.888 ( -0.188 -0.609 0.216) 0.673 29.261 ( -6.156 2.095 -4.602) 7.967 29.494 ( 0.762 -0.198 0.895) 1.192 29.581 ( 3.416 1.027 2.482) 4.345 29.602 ( 3.506 -1.178 0.122) 3.701 29.859 ( -6.082 -0.569 -0.151) 6.110 30.082 ( 1.792 0.855 -5.458) 5.808 30.356 ( -1.803 -1.779 1.824) 3.121 30.506 ( 0.971 -0.488 -0.723) 1.305 31.237 ( 1.095 -0.764 4.805) 4.987 31.461 ( 7.004 -1.803 -5.183) 8.898 31.821 ( -4.899 -1.441 2.631) 5.744 31.873 ( -2.936 -2.320 -1.430) 4.006 33.741 ( -0.113 -0.672 -0.372) 0.776 33.757 ( 0.406 -1.716 1.681) 2.437 ======================= Grid point 70 (33/44) ======================= q-point: ( 0.00 0.00 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -1.110 0.000 -5.768) 5.874 0.895 ( 1.110 0.000 5.768) 5.874 1.096 ( -3.895 0.000 -10.881) 11.557 1.096 ( 3.895 0.000 10.881) 11.557 1.156 ( 1.833 0.000 -7.801) 8.013 1.156 ( -1.833 0.000 7.801) 8.013 1.346 ( -16.178 0.000 -1.414) 16.240 1.346 ( 16.178 0.000 1.414) 16.240 1.611 ( 2.794 0.000 -17.345) 17.568 1.611 ( -2.794 0.000 17.345) 17.568 1.680 ( 6.029 0.000 -5.224) 7.977 1.680 ( -6.029 0.000 5.224) 7.977 1.900 ( 1.751 0.000 -1.837) 2.538 1.900 ( -1.751 0.000 1.837) 2.538 2.103 ( -3.709 0.000 0.309) 3.722 2.103 ( 3.709 0.000 -0.309) 3.722 2.208 ( -0.491 0.000 -6.343) 6.362 2.208 ( 0.491 0.000 6.343) 6.362 2.342 ( -1.966 0.000 -0.205) 1.977 2.342 ( 1.966 0.000 0.205) 1.977 2.650 ( -0.995 0.000 -0.562) 1.142 2.650 ( 0.995 0.000 0.562) 1.142 2.741 ( -1.681 0.000 -2.741) 3.215 2.741 ( 1.681 0.000 2.741) 3.215 2.946 ( 0.494 0.000 -0.662) 0.826 2.946 ( -0.494 0.000 0.662) 0.826 3.011 ( -4.599 0.000 0.572) 4.634 3.011 ( 4.599 0.000 -0.572) 4.634 3.110 ( 1.957 0.000 -5.745) 6.069 3.110 ( -1.957 0.000 5.745) 6.069 3.202 ( -2.721 0.000 -2.382) 3.616 3.202 ( 2.721 0.000 2.382) 3.616 3.535 ( -3.102 0.000 0.681) 3.176 3.535 ( 3.102 0.000 -0.681) 3.176 3.743 ( -0.497 0.000 -3.149) 3.188 3.743 ( 0.497 0.000 3.149) 3.188 3.775 ( -4.410 0.000 0.501) 4.438 3.775 ( 4.410 0.000 -0.501) 4.438 4.067 ( -6.247 0.000 -1.727) 6.481 4.067 ( 6.247 0.000 1.727) 6.481 4.245 ( 2.743 0.000 -2.833) 3.943 4.245 ( -2.743 0.000 2.833) 3.943 4.449 ( 3.825 0.000 -2.717) 4.691 4.449 ( -3.825 0.000 2.717) 4.691 4.618 ( 7.455 0.000 -4.555) 8.736 4.618 ( -7.455 0.000 4.555) 8.736 4.721 ( -2.324 0.000 0.569) 2.393 4.721 ( 2.324 0.000 -0.569) 2.393 4.835 ( -4.052 0.000 -6.652) 7.789 4.835 ( 4.052 0.000 6.652) 7.789 5.046 ( -2.035 0.000 -0.721) 2.159 5.046 ( 2.035 0.000 0.721) 2.159 5.103 ( 2.397 0.000 -6.980) 7.380 5.103 ( -2.397 0.000 6.980) 7.380 5.389 ( -7.225 0.000 0.275) 7.230 5.389 ( 7.225 0.000 -0.275) 7.230 5.617 ( -0.068 0.000 -7.344) 7.345 5.617 ( 0.068 0.000 7.344) 7.345 5.650 ( -0.785 0.000 -5.096) 5.156 5.650 ( 0.785 0.000 5.096) 5.156 5.786 ( -8.902 0.000 -1.851) 9.092 5.786 ( 8.902 0.000 1.851) 9.092 5.972 ( 7.089 0.000 -4.992) 8.670 5.972 ( -7.089 0.000 4.992) 8.670 6.142 ( 5.805 0.000 -3.092) 6.578 6.142 ( -5.805 0.000 3.092) 6.578 6.650 ( -0.686 0.000 -4.501) 4.553 6.650 ( 0.686 0.000 4.501) 4.553 6.867 ( -3.518 0.000 -8.640) 9.329 6.867 ( 3.518 0.000 8.640) 9.329 7.056 ( -3.085 0.000 -1.438) 3.404 7.056 ( 3.085 0.000 1.438) 3.404 7.417 ( -1.933 0.000 -10.076) 10.260 7.417 ( 1.933 0.000 10.076) 10.260 7.672 ( -1.875 0.000 -3.028) 3.562 7.672 ( 1.875 0.000 3.028) 3.562 7.991 ( -0.963 0.000 -2.242) 2.440 7.991 ( 0.963 0.000 2.242) 2.440 8.360 ( 11.448 0.000 -6.766) 13.298 8.360 ( -11.448 0.000 6.766) 13.298 8.645 ( -1.344 0.000 -6.533) 6.670 8.645 ( 1.344 0.000 6.533) 6.670 9.035 ( 7.869 0.000 -3.453) 8.594 9.035 ( -7.869 0.000 3.453) 8.594 9.242 ( -1.430 0.000 -1.234) 1.889 9.242 ( 1.430 0.000 1.234) 1.889 9.395 ( -8.620 0.000 2.591) 9.001 9.395 ( 8.620 0.000 -2.591) 9.001 9.770 ( -2.881 0.000 -4.305) 5.180 9.770 ( 2.881 0.000 4.305) 5.180 10.215 ( 1.767 0.000 -0.690) 1.897 10.215 ( -1.767 0.000 0.690) 1.897 10.425 ( 4.262 0.000 -6.361) 7.656 10.425 ( -4.262 0.000 6.361) 7.656 10.882 ( -0.451 0.000 -3.689) 3.717 10.882 ( 0.451 0.000 3.689) 3.717 11.080 ( -7.428 0.000 -13.712) 15.595 11.080 ( 7.428 0.000 13.712) 15.595 11.643 ( -2.976 0.000 -5.938) 6.642 11.643 ( 2.976 0.000 5.938) 6.642 11.813 ( 4.365 0.000 -17.509) 18.045 11.813 ( -4.365 0.000 17.509) 18.045 12.027 ( -4.521 0.000 -0.493) 4.547 12.027 ( 4.521 0.000 0.493) 4.547 12.273 ( 6.426 0.000 -8.502) 10.657 12.273 ( -6.426 0.000 8.502) 10.657 12.484 ( -5.379 0.000 0.994) 5.470 12.484 ( 5.379 0.000 -0.994) 5.470 12.709 ( -9.013 0.000 2.064) 9.246 12.709 ( 9.013 0.000 -2.064) 9.246 12.913 ( -8.347 0.000 -1.272) 8.443 12.913 ( 8.347 0.000 1.272) 8.443 13.174 ( -1.738 0.000 -2.303) 2.885 13.174 ( 1.738 0.000 2.303) 2.885 13.490 ( 0.490 0.000 -2.263) 2.316 13.490 ( -0.490 0.000 2.263) 2.316 13.660 ( -6.261 0.000 -10.765) 12.454 13.660 ( 6.261 0.000 10.765) 12.454 13.828 ( -0.980 0.000 -3.741) 3.867 13.828 ( 0.980 0.000 3.741) 3.867 14.022 ( -9.400 0.000 2.234) 9.662 14.022 ( 9.400 0.000 -2.234) 9.662 14.434 ( -7.176 0.000 1.716) 7.379 14.434 ( 7.176 0.000 -1.716) 7.379 14.667 ( -12.047 0.000 -6.265) 13.579 14.667 ( 12.047 0.000 6.265) 13.579 14.924 ( -0.417 0.000 -0.172) 0.451 14.924 ( 0.417 0.000 0.172) 0.451 15.139 ( 0.145 0.000 -4.431) 4.433 15.139 ( -0.145 0.000 4.431) 4.433 15.311 ( 4.964 0.000 -5.934) 7.737 15.311 ( -4.964 0.000 5.934) 7.737 17.190 ( -1.101 0.000 -0.581) 1.245 17.190 ( 1.101 0.000 0.581) 1.245 18.012 ( -5.796 0.000 -3.940) 7.008 18.012 ( 5.796 0.000 3.940) 7.008 18.866 ( -8.868 0.000 -12.429) 15.268 18.866 ( 8.868 0.000 12.429) 15.268 19.879 ( -6.887 0.000 -3.125) 7.563 19.879 ( 6.887 0.000 3.125) 7.563 21.088 ( -3.245 0.000 -8.225) 8.842 21.088 ( 3.245 0.000 8.225) 8.842 22.565 ( -2.032 0.000 -13.353) 13.506 22.565 ( 2.032 0.000 13.353) 13.506 24.680 ( -9.989 0.000 -0.224) 9.991 24.680 ( 9.989 0.000 0.224) 9.991 25.091 ( -2.432 0.000 -4.075) 4.746 25.091 ( 2.432 0.000 4.075) 4.746 25.663 ( 0.862 0.000 -5.227) 5.297 25.663 ( -0.862 0.000 5.227) 5.297 26.414 ( 0.302 0.000 -5.044) 5.053 26.414 ( -0.302 0.000 5.044) 5.053 26.613 ( -3.921 0.000 0.989) 4.044 26.613 ( 3.921 0.000 -0.989) 4.044 26.794 ( -1.041 0.000 -3.124) 3.293 26.794 ( 1.041 0.000 3.124) 3.293 27.183 ( 4.991 0.000 -3.497) 6.094 27.183 ( -4.991 0.000 3.497) 6.094 27.451 ( 0.956 0.000 -2.699) 2.863 27.451 ( -0.956 0.000 2.699) 2.863 27.640 ( -1.983 0.000 -5.043) 5.419 27.640 ( 1.983 0.000 5.043) 5.419 27.957 ( -3.223 0.000 -0.378) 3.245 27.957 ( 3.223 0.000 0.378) 3.245 28.956 ( 1.367 0.000 -0.609) 1.497 28.956 ( -1.367 0.000 0.609) 1.497 29.207 ( -2.930 0.000 0.951) 3.081 29.207 ( 2.930 0.000 -0.951) 3.081 29.674 ( -17.799 0.000 -1.403) 17.854 29.674 ( 17.799 0.000 1.403) 17.854 29.920 ( 1.209 0.000 -3.233) 3.452 29.920 ( -1.209 0.000 3.233) 3.452 30.526 ( 0.792 0.000 -2.202) 2.340 30.526 ( -0.792 0.000 2.202) 2.340 31.587 ( -7.470 0.000 -3.746) 8.356 31.587 ( 7.470 0.000 3.746) 8.356 31.872 ( -1.294 0.000 -7.281) 7.395 31.872 ( 1.294 0.000 7.281) 7.395 34.130 ( 4.529 0.000 -6.966) 8.309 34.130 ( -4.529 0.000 6.966) 8.309 ======================= Grid point 72 (34/44) ======================= q-point: ( 0.20 0.00 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 5.369 0.000 -8.712) 10.233 0.893 ( 1.512 0.000 -18.979) 19.040 0.936 ( -3.945 0.000 -0.896) 4.046 1.033 ( -13.484 0.000 4.606) 14.249 1.069 ( -1.428 0.000 2.669) 3.027 1.160 ( -6.086 0.000 11.252) 12.792 1.254 ( 2.567 0.000 0.330) 2.588 1.424 ( 11.173 0.000 -23.437) 25.964 1.614 ( -9.796 0.000 11.552) 15.146 1.630 ( 3.018 0.000 -2.563) 3.960 1.725 ( 4.197 0.000 -0.514) 4.228 1.765 ( 0.001 0.000 8.290) 8.290 1.918 ( -2.217 0.000 4.296) 4.834 2.056 ( -5.589 0.000 5.608) 7.918 2.114 ( -3.116 0.000 -4.707) 5.645 2.115 ( 7.910 0.000 9.172) 12.112 2.267 ( -3.508 0.000 5.928) 6.888 2.294 ( 7.543 0.000 14.445) 16.296 2.351 ( 4.592 0.000 -1.234) 4.755 2.383 ( 3.953 0.000 2.877) 4.889 2.597 ( 3.974 0.000 -4.788) 6.222 2.640 ( -0.254 0.000 -2.050) 2.066 2.717 ( -1.150 0.000 3.399) 3.588 2.733 ( -6.197 0.000 2.038) 6.523 2.858 ( -4.124 0.000 -5.543) 6.909 2.902 ( -2.395 0.000 -1.129) 2.648 2.923 ( -5.681 0.000 0.528) 5.706 3.052 ( 0.812 0.000 -1.522) 1.725 3.108 ( -2.533 0.000 3.213) 4.091 3.157 ( 6.639 0.000 1.239) 6.754 3.195 ( 4.185 0.000 -4.246) 5.962 3.322 ( 4.084 0.000 2.464) 4.769 3.473 ( -1.778 0.000 -1.854) 2.569 3.556 ( 1.254 0.000 -2.084) 2.432 3.688 ( -7.038 0.000 -0.334) 7.046 3.744 ( 4.495 0.000 -4.298) 6.219 3.824 ( 0.709 0.000 4.274) 4.333 3.891 ( 4.871 0.000 5.666) 7.472 3.938 ( -3.725 0.000 5.034) 6.262 4.125 ( -3.467 0.000 -1.182) 3.663 4.205 ( -0.162 0.000 0.496) 0.522 4.274 ( 5.176 0.000 -4.592) 6.920 4.419 ( -4.397 0.000 5.023) 6.676 4.456 ( -1.507 0.000 -2.069) 2.560 4.583 ( -0.298 0.000 4.399) 4.409 4.618 ( -6.727 0.000 -4.370) 8.021 4.651 ( 0.357 0.000 -6.333) 6.343 4.697 ( 3.246 0.000 -9.188) 9.745 4.733 ( 0.995 0.000 -0.053) 0.996 4.846 ( 0.006 0.000 -4.550) 4.550 5.026 ( 1.410 0.000 -3.508) 3.781 5.134 ( 2.422 0.000 2.183) 3.261 5.136 ( -2.496 0.000 4.142) 4.836 5.161 ( 3.826 0.000 4.056) 5.576 5.312 ( -1.091 0.000 -0.209) 1.111 5.454 ( -3.717 0.000 -3.636) 5.199 5.463 ( -3.747 0.000 0.940) 3.863 5.565 ( -3.438 0.000 -3.189) 4.689 5.660 ( 1.231 0.000 -5.760) 5.890 5.688 ( 4.504 0.000 2.124) 4.980 5.724 ( -7.719 0.000 7.152) 10.523 5.951 ( 5.205 0.000 3.263) 6.143 5.987 ( 0.512 0.000 6.677) 6.697 6.077 ( 11.920 0.000 -4.220) 12.645 6.120 ( -0.878 0.000 8.101) 8.148 6.227 ( 8.821 0.000 -5.397) 10.341 6.588 ( -1.604 0.000 -7.967) 8.127 6.714 ( 0.838 0.000 2.949) 3.066 6.791 ( 2.853 0.000 -3.400) 4.438 6.981 ( -2.208 0.000 -2.586) 3.400 7.002 ( -1.669 0.000 6.346) 6.562 7.171 ( 8.572 0.000 4.176) 9.535 7.278 ( -4.051 0.000 -3.278) 5.211 7.512 ( -3.360 0.000 10.908) 11.414 7.621 ( -0.487 0.000 -1.750) 1.817 7.654 ( -10.655 0.000 -1.297) 10.734 7.879 ( -2.692 0.000 -6.316) 6.866 7.955 ( -4.739 0.000 -0.711) 4.792 8.103 ( -16.967 0.000 2.337) 17.127 8.370 ( 1.936 0.000 -9.864) 10.052 8.673 ( 4.421 0.000 3.708) 5.770 8.743 ( 0.847 0.000 5.589) 5.653 9.000 ( -2.320 0.000 8.195) 8.517 9.126 ( 4.956 0.000 -3.931) 6.326 9.228 ( 1.155 0.000 -1.666) 2.028 9.244 ( -3.200 0.000 -1.677) 3.613 9.358 ( -3.106 0.000 6.353) 7.072 9.571 ( 9.598 0.000 1.045) 9.655 9.683 ( 3.920 0.000 -4.757) 6.164 9.749 ( -1.918 0.000 -8.214) 8.435 10.205 ( 1.407 0.000 -5.675) 5.847 10.272 ( 0.376 0.000 2.545) 2.573 10.476 ( 5.328 0.000 1.987) 5.686 10.482 ( 3.888 0.000 6.622) 7.679 10.858 ( -1.531 0.000 -11.230) 11.334 10.896 ( 4.080 0.000 1.300) 4.282 10.977 ( 4.231 0.000 7.335) 8.467 11.293 ( 4.429 0.000 3.099) 5.406 11.466 ( -5.836 0.000 -9.792) 11.399 11.505 ( -11.371 0.000 -16.215) 19.804 11.732 ( 1.576 0.000 -4.128) 4.419 11.785 ( -10.178 0.000 6.596) 12.128 11.984 ( -6.840 0.000 8.065) 10.576 12.103 ( -2.540 0.000 -0.457) 2.581 12.288 ( -4.190 0.000 10.880) 11.659 12.300 ( 4.691 0.000 -2.411) 5.274 12.471 ( 2.763 0.000 -1.771) 3.282 12.575 ( 4.744 0.000 -1.786) 5.069 12.631 ( -0.503 0.000 5.150) 5.175 12.774 ( -1.564 0.000 -1.409) 2.105 12.816 ( 7.893 0.000 -6.529) 10.243 13.054 ( 4.485 0.000 3.160) 5.487 13.147 ( 0.317 0.000 -1.904) 1.931 13.239 ( 1.624 0.000 2.172) 2.713 13.428 ( -1.946 0.000 -7.705) 7.947 13.433 ( -1.587 0.000 -5.999) 6.205 13.513 ( -2.540 0.000 4.250) 4.951 13.719 ( -4.125 0.000 3.360) 5.320 13.779 ( 1.379 0.000 -5.546) 5.715 13.866 ( 0.037 0.000 0.074) 0.083 14.107 ( 6.250 0.000 9.421) 11.306 14.200 ( 4.933 0.000 -1.854) 5.270 14.322 ( -9.680 0.000 -5.207) 10.992 14.358 ( -0.944 0.000 5.387) 5.469 14.637 ( 5.846 0.000 2.495) 6.356 14.831 ( 0.162 0.000 -2.630) 2.635 14.918 ( -0.820 0.000 -0.005) 0.820 15.011 ( 4.238 0.000 11.226) 12.000 15.109 ( 2.186 0.000 -4.380) 4.895 15.181 ( -0.745 0.000 4.836) 4.893 15.274 ( -5.395 0.000 5.453) 7.671 15.333 ( 5.673 0.000 -7.255) 9.209 17.164 ( -1.295 0.000 0.496) 1.387 17.203 ( -0.245 0.000 0.435) 0.499 17.939 ( 0.318 0.000 -0.748) 0.813 18.191 ( 6.607 0.000 3.757) 7.600 18.612 ( -3.777 0.000 -8.509) 9.310 19.108 ( 3.014 0.000 9.344) 9.818 19.689 ( -7.951 0.000 -3.253) 8.590 19.940 ( -1.350 0.000 -1.320) 1.888 21.057 ( 5.039 0.000 -0.515) 5.066 21.273 ( 4.306 0.000 9.077) 10.047 22.399 ( 0.939 0.000 -12.115) 12.151 22.677 ( -4.105 0.000 9.024) 9.914 24.522 ( -9.460 0.000 4.264) 10.377 24.777 ( -3.921 0.000 -1.490) 4.195 25.017 ( 3.099 0.000 -4.258) 5.267 25.147 ( -1.458 0.000 4.981) 5.190 25.624 ( 1.866 0.000 -5.704) 6.001 25.683 ( -2.700 0.000 4.129) 4.933 26.315 ( -0.519 0.000 -8.742) 8.758 26.398 ( -3.892 0.000 1.903) 4.332 26.621 ( 1.312 0.000 1.891) 2.302 26.713 ( 4.612 0.000 1.770) 4.940 26.779 ( -0.007 0.000 -0.012) 0.014 26.898 ( 3.605 0.000 7.917) 8.699 27.150 ( -3.687 0.000 1.854) 4.127 27.290 ( 7.186 0.000 -0.089) 7.187 27.451 ( 0.912 0.000 -2.315) 2.488 27.485 ( -0.393 0.000 4.132) 4.151 27.557 ( -0.550 0.000 -2.792) 2.846 27.693 ( -1.745 0.000 4.069) 4.428 27.906 ( -1.558 0.000 -0.895) 1.797 28.011 ( 2.137 0.000 -1.961) 2.900 28.949 ( 0.239 0.000 1.469) 1.489 28.955 ( 0.285 0.000 -2.488) 2.505 29.062 ( -8.208 0.000 -5.115) 9.671 29.244 ( 1.822 0.000 1.213) 2.189 29.419 ( -2.451 0.000 -1.673) 2.967 29.737 ( -2.132 0.000 -5.944) 6.315 29.996 ( 3.186 0.000 4.202) 5.273 30.087 ( 14.125 0.000 -4.558) 14.843 30.521 ( 0.501 0.000 -0.661) 0.830 30.536 ( 0.751 0.000 -0.171) 0.770 31.478 ( -2.018 0.000 -0.637) 2.116 31.722 ( -1.974 0.000 -2.243) 2.988 31.850 ( 8.239 0.000 4.443) 9.361 31.965 ( 0.434 0.000 7.365) 7.378 34.015 ( -11.327 0.000 -0.568) 11.341 34.058 ( -2.731 0.000 -7.693) 8.164 ======================= Grid point 73 (35/44) ======================= q-point: ( 0.40 0.00 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 2.118 0.000 -7.875) 8.155 0.804 ( -0.702 0.000 -7.101) 7.136 0.881 ( 1.867 0.000 -2.159) 2.854 0.927 ( -8.635 0.000 8.538) 12.143 1.156 ( 4.239 0.000 3.473) 5.480 1.232 ( -1.441 0.000 1.986) 2.454 1.285 ( 1.671 0.000 8.115) 8.285 1.373 ( 6.258 0.000 -15.714) 16.914 1.582 ( -8.069 0.000 14.713) 16.780 1.621 ( 4.730 0.000 -9.939) 11.007 1.809 ( -1.224 0.000 3.714) 3.911 1.822 ( 5.665 0.000 -0.450) 5.683 1.896 ( -3.989 0.000 1.934) 4.433 1.899 ( -9.284 0.000 -3.018) 9.762 2.039 ( 1.267 0.000 -4.266) 4.450 2.080 ( -6.392 0.000 2.284) 6.788 2.352 ( -0.710 0.000 4.263) 4.322 2.360 ( 2.081 0.000 -3.654) 4.205 2.540 ( 3.703 0.000 8.385) 9.166 2.602 ( 2.351 0.000 11.742) 11.975 2.622 ( 1.240 0.000 2.389) 2.692 2.653 ( 0.138 0.000 -4.286) 4.289 2.661 ( 1.011 0.000 -6.663) 6.739 2.736 ( -0.117 0.000 -1.146) 1.152 2.829 ( 5.147 0.000 4.641) 6.931 2.855 ( -0.668 0.000 -0.946) 1.158 2.860 ( -3.844 0.000 5.664) 6.845 2.983 ( -4.670 0.000 -3.455) 5.809 3.143 ( 0.021 0.000 5.038) 5.039 3.184 ( 2.527 0.000 -6.523) 6.995 3.321 ( 3.851 0.000 1.782) 4.244 3.357 ( -1.307 0.000 1.206) 1.779 3.519 ( 5.946 0.000 2.604) 6.492 3.529 ( -0.575 0.000 -2.581) 2.645 3.563 ( -0.577 0.000 1.559) 1.662 3.773 ( 0.247 0.000 -3.840) 3.848 3.830 ( -1.491 0.000 1.716) 2.273 3.884 ( -8.800 0.000 -6.760) 11.097 4.046 ( 2.345 0.000 4.900) 5.432 4.048 ( 1.999 0.000 2.353) 3.087 4.281 ( 5.738 0.000 0.706) 5.781 4.331 ( 6.720 0.000 -3.560) 7.605 4.389 ( -4.328 0.000 -1.167) 4.482 4.393 ( -6.470 0.000 7.960) 10.258 4.501 ( -0.093 0.000 -3.942) 3.943 4.549 ( -3.969 0.000 -3.917) 5.577 4.640 ( 1.508 0.000 3.872) 4.155 4.712 ( -0.974 0.000 -4.168) 4.280 4.746 ( 6.290 0.000 -0.609) 6.319 4.819 ( -0.872 0.000 -1.033) 1.352 5.042 ( 5.135 0.000 -4.423) 6.777 5.093 ( -4.976 0.000 3.226) 5.930 5.168 ( -3.082 0.000 4.457) 5.419 5.183 ( -0.541 0.000 -3.642) 3.682 5.333 ( 5.260 0.000 -4.778) 7.106 5.377 ( -2.764 0.000 -0.898) 2.906 5.445 ( 0.111 0.000 4.967) 4.968 5.487 ( -2.841 0.000 0.327) 2.860 5.595 ( 0.681 0.000 -6.130) 6.168 5.622 ( -6.986 0.000 2.580) 7.447 5.914 ( 11.590 0.000 5.399) 12.786 6.003 ( -0.762 0.000 1.687) 1.851 6.028 ( 0.656 0.000 4.132) 4.184 6.233 ( -2.093 0.000 -7.243) 7.539 6.252 ( -3.488 0.000 16.721) 17.081 6.277 ( 5.823 0.000 -9.162) 10.856 6.515 ( 13.560 0.000 -6.552) 15.061 6.698 ( -5.287 0.000 -0.371) 5.300 6.902 ( 10.197 0.000 2.427) 10.482 6.948 ( 0.491 0.000 -0.739) 0.888 6.978 ( -4.020 0.000 2.095) 4.533 7.216 ( -14.108 0.000 -3.472) 14.529 7.236 ( 0.486 0.000 0.802) 0.938 7.312 ( -10.319 0.000 -2.933) 10.727 7.592 ( 1.684 0.000 4.794) 5.081 7.613 ( 0.914 0.000 -1.013) 1.364 7.831 ( 0.457 0.000 -3.163) 3.196 7.855 ( -4.358 0.000 -0.418) 4.378 7.991 ( -0.674 0.000 11.391) 11.411 8.211 ( -5.428 0.000 -13.736) 14.770 8.836 ( 7.138 0.000 6.944) 9.958 8.895 ( 7.574 0.000 7.606) 10.734 9.050 ( -5.672 0.000 2.938) 6.388 9.103 ( -1.231 0.000 -7.474) 7.574 9.114 ( -1.527 0.000 -0.078) 1.529 9.195 ( -2.242 0.000 -4.064) 4.641 9.401 ( 1.587 0.000 5.069) 5.312 9.531 ( -5.047 0.000 -8.556) 9.934 9.763 ( 7.341 0.000 -4.511) 8.616 9.768 ( 1.218 0.000 4.350) 4.517 10.189 ( 3.612 0.000 -3.495) 5.026 10.237 ( -4.978 0.000 2.122) 5.412 10.623 ( 3.532 0.000 3.896) 5.259 10.636 ( 5.747 0.000 4.809) 7.493 10.777 ( 3.693 0.000 -3.844) 5.331 11.017 ( -0.747 0.000 -1.421) 1.605 11.087 ( -8.305 0.000 -6.506) 10.550 11.193 ( 6.086 0.000 1.804) 6.347 11.287 ( -0.493 0.000 0.944) 1.065 11.432 ( 8.956 0.000 0.862) 8.997 11.604 ( -10.885 0.000 -9.066) 14.166 11.641 ( -9.752 0.000 -0.570) 9.769 11.948 ( -7.210 0.000 9.643) 12.040 11.957 ( 1.821 0.000 -10.355) 10.514 12.331 ( -2.414 0.000 8.938) 9.258 12.388 ( 0.927 0.000 -4.050) 4.154 12.521 ( 3.342 0.000 5.208) 6.188 12.595 ( 0.875 0.000 -3.808) 3.907 12.702 ( 4.351 0.000 6.065) 7.464 12.833 ( 0.805 0.000 -6.743) 6.791 12.940 ( 8.068 0.000 7.760) 11.194 13.084 ( -1.966 0.000 -3.759) 4.242 13.158 ( 3.731 0.000 0.866) 3.830 13.243 ( -1.713 0.000 -0.604) 1.817 13.351 ( -3.858 0.000 1.002) 3.986 13.354 ( 1.352 0.000 -7.509) 7.630 13.594 ( 2.912 0.000 8.941) 9.404 13.702 ( 0.408 0.000 -3.319) 3.344 13.751 ( 0.577 0.000 -2.691) 2.752 13.794 ( -5.341 0.000 -2.028) 5.713 14.117 ( -1.856 0.000 -1.575) 2.434 14.153 ( -3.937 0.000 -1.144) 4.100 14.359 ( 4.076 0.000 8.602) 9.519 14.435 ( 1.494 0.000 -0.484) 1.571 14.733 ( 2.591 0.000 1.277) 2.889 14.782 ( -0.978 0.000 -3.124) 3.273 14.939 ( 3.679 0.000 0.460) 3.708 15.043 ( -6.773 0.000 1.395) 6.916 15.131 ( 4.338 0.000 -2.870) 5.202 15.177 ( -4.030 0.000 3.343) 5.236 15.316 ( -3.121 0.000 12.548) 12.930 15.351 ( 5.791 0.000 -9.582) 11.196 17.166 ( 0.345 0.000 1.395) 1.438 17.192 ( -0.966 0.000 -0.537) 1.105 17.999 ( 5.002 0.000 2.777) 5.721 18.155 ( -6.699 0.000 -4.998) 8.358 18.723 ( 15.189 0.000 4.345) 15.798 19.046 ( -13.667 0.000 -2.345) 13.866 19.666 ( 4.442 0.000 4.691) 6.460 19.830 ( -6.140 0.000 -5.141) 8.008 21.201 ( 7.972 0.000 2.863) 8.471 21.334 ( -4.667 0.000 2.033) 5.091 22.415 ( 11.023 0.000 -5.124) 12.156 22.596 ( -11.708 0.000 3.605) 12.250 24.460 ( -4.933 0.000 9.464) 10.673 24.572 ( -4.398 0.000 -12.611) 13.356 25.089 ( 6.397 0.000 -3.251) 7.176 25.145 ( -4.611 0.000 4.846) 6.690 25.622 ( 4.158 0.000 -4.898) 6.425 25.657 ( -4.709 0.000 4.052) 6.212 26.280 ( 4.187 0.000 -4.104) 5.863 26.339 ( -4.519 0.000 1.131) 4.659 26.673 ( 2.007 0.000 2.190) 2.971 26.730 ( -1.697 0.000 -1.801) 2.474 26.848 ( 4.704 0.000 4.728) 6.670 26.980 ( -1.989 0.000 -4.708) 5.111 27.161 ( 1.489 0.000 14.627) 14.703 27.370 ( 1.317 0.000 0.537) 1.423 27.402 ( -5.064 0.000 -10.385) 11.554 27.417 ( -1.566 0.000 -1.417) 2.112 27.592 ( 4.991 0.000 -1.050) 5.100 27.666 ( -4.773 0.000 2.347) 5.319 27.894 ( 0.617 0.000 0.645) 0.892 27.948 ( -2.393 0.000 -4.591) 5.178 28.911 ( -1.054 0.000 0.198) 1.073 28.925 ( -0.460 0.000 -2.208) 2.256 29.174 ( 7.477 0.000 10.270) 12.704 29.280 ( 1.249 0.000 -1.532) 1.977 29.444 ( 3.482 0.000 2.366) 4.210 29.596 ( -5.538 0.000 -7.340) 9.195 30.102 ( 2.709 0.000 5.564) 6.188 30.176 ( 2.874 0.000 -6.405) 7.020 30.534 ( -0.996 0.000 3.658) 3.791 30.546 ( 2.679 0.000 -4.299) 5.066 31.500 ( 3.260 0.000 1.959) 3.803 31.608 ( -4.962 0.000 -3.655) 6.163 32.033 ( 2.913 0.000 4.308) 5.200 32.038 ( 0.451 0.000 4.529) 4.551 33.852 ( -1.688 0.000 -2.329) 2.876 33.913 ( -4.766 0.000 -5.122) 6.996 ======================= Grid point 76 (36/44) ======================= q-point: ( 0.00 0.14 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.133 3.981 -9.570) 10.366 1.113 ( -0.133 3.981 9.570) 10.366 1.144 ( 4.910 7.544 -5.375) 10.484 1.144 ( -4.910 7.544 5.375) 10.484 1.296 ( 1.285 8.694 -6.502) 10.932 1.296 ( -1.285 8.694 6.502) 10.932 1.378 ( -11.624 8.503 -5.062) 15.266 1.378 ( 11.624 8.503 5.062) 15.266 1.577 ( 5.831 0.700 -14.760) 15.886 1.577 ( -5.831 0.700 14.760) 15.886 1.796 ( -4.331 6.164 -4.888) 8.980 1.796 ( 4.331 6.164 4.888) 8.980 1.955 ( -4.278 5.858 -2.091) 7.549 1.955 ( 4.278 5.858 2.091) 7.549 2.086 ( -2.333 -0.038 -4.044) 4.669 2.086 ( 2.333 -0.038 4.044) 4.669 2.209 ( -1.181 -0.212 -4.805) 4.952 2.209 ( 1.181 -0.212 4.805) 4.952 2.379 ( 0.079 3.058 -2.398) 3.887 2.379 ( -0.079 3.058 2.398) 3.887 2.589 ( -3.962 -0.527 -2.540) 4.736 2.589 ( 3.962 -0.527 2.540) 4.736 2.838 ( 3.305 4.126 -5.160) 7.387 2.838 ( -3.305 4.126 5.160) 7.387 2.942 ( 1.240 0.112 -1.970) 2.330 2.942 ( -1.240 0.112 1.970) 2.330 3.036 ( 0.705 3.770 -1.864) 4.264 3.036 ( -0.705 3.770 1.864) 4.264 3.196 ( -0.468 6.865 -0.634) 6.910 3.196 ( 0.468 6.865 0.634) 6.910 3.354 ( -2.391 12.658 -2.319) 13.089 3.354 ( 2.391 12.658 2.319) 13.089 3.545 ( -4.825 0.659 0.211) 4.874 3.545 ( 4.825 0.659 -0.211) 4.874 3.730 ( -0.437 0.565 -3.329) 3.405 3.730 ( 0.437 0.565 3.329) 3.405 3.861 ( -1.842 4.546 -4.580) 6.711 3.861 ( 1.842 4.546 4.580) 6.711 4.058 ( -4.582 0.073 -2.361) 5.155 4.058 ( 4.582 0.073 2.361) 5.155 4.273 ( 3.727 2.228 -4.038) 5.929 4.273 ( -3.727 2.228 4.038) 5.929 4.520 ( -4.682 3.016 -3.231) 6.439 4.520 ( 4.682 3.016 3.231) 6.439 4.677 ( -0.073 4.592 -5.170) 6.915 4.677 ( 0.073 4.592 5.170) 6.915 4.827 ( 0.972 6.320 -5.551) 8.468 4.827 ( -0.972 6.320 5.551) 8.468 4.968 ( -1.444 13.013 -7.441) 15.060 4.968 ( 1.444 13.013 7.441) 15.060 5.070 ( -3.212 3.114 -3.489) 5.673 5.070 ( 3.212 3.114 3.489) 5.673 5.155 ( 3.499 5.190 -6.747) 9.204 5.155 ( -3.499 5.190 6.747) 9.204 5.428 ( -0.527 4.332 -3.170) 5.394 5.428 ( 0.527 4.332 3.170) 5.394 5.648 ( -3.196 4.715 -4.031) 6.978 5.648 ( 3.196 4.715 4.031) 6.978 5.704 ( -0.468 4.154 -5.257) 6.717 5.704 ( 0.468 4.154 5.257) 6.717 5.842 ( -8.412 3.946 -2.193) 9.547 5.842 ( 8.412 3.946 2.193) 9.547 6.069 ( 5.789 6.838 -5.176) 10.347 6.069 ( -5.789 6.838 5.176) 10.347 6.245 ( -1.037 11.879 -0.151) 11.925 6.245 ( 1.037 11.879 0.151) 11.925 6.633 ( -2.035 -0.848 -3.732) 4.334 6.633 ( 2.035 -0.848 3.732) 4.334 6.930 ( -1.083 4.939 -8.272) 9.695 6.930 ( 1.083 4.939 8.272) 9.695 7.033 ( -3.530 -1.146 -2.675) 4.575 7.033 ( 3.530 -1.146 2.675) 4.575 7.406 ( -2.831 -0.865 -6.022) 6.711 7.406 ( 2.831 -0.865 6.022) 6.711 7.677 ( 0.726 0.494 -1.802) 2.004 7.677 ( -0.726 0.494 1.802) 2.004 8.006 ( 0.497 1.807 -2.079) 2.799 8.006 ( -0.497 1.807 2.079) 2.799 8.343 ( -1.903 -3.283 -11.083) 11.715 8.343 ( 1.903 -3.283 11.083) 11.715 8.607 ( 0.221 -1.452 -4.845) 5.063 8.607 ( -0.221 -1.452 4.845) 5.063 9.030 ( 7.385 -1.935 -3.343) 8.334 9.030 ( -7.385 -1.935 3.343) 8.334 9.136 ( -2.025 -9.731 -0.541) 9.955 9.136 ( 2.025 -9.731 0.541) 9.955 9.448 ( -6.657 3.471 -2.759) 7.999 9.448 ( 6.657 3.471 2.759) 7.999 9.738 ( -1.313 -1.321 -5.779) 6.072 9.738 ( 1.313 -1.321 5.779) 6.072 10.190 ( -2.077 -2.428 -4.248) 5.316 10.190 ( 2.077 -2.428 4.248) 5.316 10.477 ( 3.049 3.981 -3.411) 6.065 10.477 ( -3.049 3.981 3.411) 6.065 10.828 ( -1.723 -4.057 -4.324) 6.174 10.828 ( 1.723 -4.057 4.324) 6.174 11.004 ( -5.075 -6.243 -10.806) 13.472 11.004 ( 5.075 -6.243 10.806) 13.472 11.557 ( -2.966 -7.744 -3.506) 9.003 11.557 ( 2.966 -7.744 3.506) 9.003 11.791 ( 2.835 -2.978 -14.431) 15.005 11.791 ( -2.835 -2.978 14.431) 15.005 11.995 ( -1.495 -3.080 0.185) 3.428 11.995 ( 1.495 -3.080 -0.185) 3.428 12.163 ( 1.843 -8.258 -6.447) 10.638 12.163 ( -1.843 -8.258 6.447) 10.638 12.416 ( 0.845 -4.969 -1.815) 5.357 12.416 ( -0.845 -4.969 1.815) 5.357 12.730 ( -6.896 0.214 -1.825) 7.137 12.730 ( 6.896 0.214 1.825) 7.137 12.936 ( -3.910 1.798 -3.936) 5.832 12.936 ( 3.910 1.798 3.936) 5.832 13.155 ( 1.344 -0.658 -2.396) 2.825 13.155 ( -1.344 -0.658 2.396) 2.825 13.514 ( 2.424 -0.839 -1.834) 3.153 13.514 ( -2.424 -0.839 1.834) 3.153 13.619 ( -2.139 -2.718 -7.841) 8.570 13.619 ( 2.139 -2.718 7.841) 8.570 13.771 ( -0.033 -2.547 -3.118) 4.027 13.771 ( 0.033 -2.547 3.118) 4.027 14.061 ( 7.495 3.516 -3.980) 9.186 14.061 ( -7.495 3.516 3.980) 9.186 14.352 ( -6.958 -6.928 -1.277) 9.901 14.352 ( 6.958 -6.928 1.277) 9.901 14.619 ( -3.106 -2.782 -1.709) 4.507 14.619 ( 3.106 -2.782 1.709) 4.507 14.903 ( -2.147 0.080 -3.968) 4.513 14.903 ( 2.147 0.080 3.968) 4.513 15.216 ( 2.024 6.672 -3.506) 7.804 15.216 ( -2.024 6.672 3.506) 7.804 15.455 ( 2.266 8.242 -2.354) 8.866 15.455 ( -2.266 8.242 2.354) 8.866 17.166 ( -1.113 -1.739 -0.560) 2.140 17.166 ( 1.113 -1.739 0.560) 2.140 18.079 ( -5.488 5.047 -3.688) 8.318 18.079 ( 5.488 5.047 3.688) 8.318 18.906 ( -9.129 3.871 -11.375) 15.091 18.906 ( 9.129 3.871 11.375) 15.091 19.867 ( -7.621 -0.963 -3.745) 8.546 19.867 ( 7.621 -0.963 3.745) 8.546 21.110 ( -4.500 2.003 -8.053) 9.440 21.110 ( 4.500 2.003 8.053) 9.440 22.588 ( -1.855 1.848 -11.689) 11.979 22.588 ( 1.855 1.848 11.689) 11.979 24.561 ( -2.785 -7.920 -4.258) 9.414 24.561 ( 2.785 -7.920 4.258) 9.414 25.159 ( -3.408 4.092 -2.137) 5.738 25.159 ( 3.408 4.092 2.137) 5.738 25.668 ( 0.879 0.386 -4.421) 4.524 25.668 ( -0.879 0.386 4.421) 4.524 26.226 ( 0.961 -10.113 -5.817) 11.706 26.226 ( -0.961 -10.113 5.817) 11.706 26.661 ( 1.826 3.272 -1.202) 3.935 26.661 ( -1.826 3.272 1.202) 3.935 26.952 ( -2.454 6.799 -4.655) 8.597 26.952 ( 2.454 6.799 4.655) 8.597 27.281 ( -5.947 8.319 -3.000) 10.657 27.281 ( 5.947 8.319 3.000) 10.657 27.503 ( -0.353 2.783 -3.980) 4.870 27.503 ( 0.353 2.783 3.980) 4.870 27.686 ( -1.976 6.593 -4.304) 8.118 27.686 ( 1.976 6.593 4.304) 8.118 27.999 ( -2.138 4.705 -0.225) 5.173 27.999 ( 2.138 4.705 0.225) 5.173 28.946 ( -0.232 -0.836 -1.084) 1.388 28.946 ( 0.232 -0.836 1.084) 1.388 29.267 ( -3.855 4.605 -3.152) 6.782 29.267 ( 3.855 4.605 3.152) 6.782 29.660 ( -12.497 -0.912 -2.579) 12.792 29.660 ( 12.497 -0.912 2.579) 12.792 29.892 ( -1.049 -2.350 -3.659) 4.473 29.892 ( 1.049 -2.350 3.659) 4.473 30.518 ( 0.435 -0.905 -2.361) 2.566 30.518 ( -0.435 -0.905 2.361) 2.566 31.537 ( -2.581 -3.884 -5.948) 7.558 31.537 ( 2.581 -3.884 5.948) 7.558 31.872 ( -2.102 -0.636 -5.721) 6.128 31.872 ( 2.102 -0.636 5.721) 6.128 34.036 ( 2.928 -7.705 -3.969) 9.148 34.036 ( -2.928 -7.705 3.969) 9.148 ======================= Grid point 78 (37/44) ======================= q-point: ( 0.20 0.14 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -6.588 2.511 -11.052) 13.110 1.036 ( -6.973 2.639 1.246) 7.560 1.145 ( -4.575 1.655 8.667) 9.939 1.176 ( -4.336 17.696 -2.423) 18.379 1.206 ( -3.469 14.500 -2.105) 15.057 1.231 ( 2.978 8.246 -0.944) 8.818 1.365 ( 3.951 8.689 -2.017) 9.756 1.426 ( 6.793 1.419 -12.777) 14.539 1.642 ( -7.724 1.854 10.085) 12.838 1.674 ( 2.133 4.394 4.090) 6.371 1.736 ( -2.059 8.509 2.314) 9.055 1.858 ( -2.545 -3.274 7.396) 8.480 1.948 ( -0.529 4.319 0.506) 4.380 2.005 ( -1.094 0.085 1.873) 2.171 2.047 ( -4.464 2.810 4.971) 7.248 2.175 ( 5.085 -2.606 2.079) 6.081 2.223 ( -0.744 1.131 1.385) 1.937 2.327 ( 7.416 2.378 8.421) 11.470 2.377 ( 3.364 1.640 0.752) 3.818 2.411 ( 1.276 0.688 1.562) 2.131 2.587 ( 2.814 1.547 0.547) 3.258 2.674 ( 1.032 2.315 2.015) 3.238 2.760 ( -3.712 -0.475 -0.440) 3.768 2.813 ( 2.932 8.351 -3.870) 9.660 2.882 ( -2.647 3.247 0.900) 4.285 2.911 ( -3.547 2.734 -2.846) 5.306 3.027 ( -0.045 7.042 0.672) 7.074 3.064 ( -1.799 2.929 -1.429) 3.723 3.178 ( -1.641 7.685 -1.064) 7.930 3.199 ( 0.446 2.734 -0.044) 2.771 3.304 ( 2.209 8.886 0.347) 9.163 3.404 ( 0.379 4.704 -0.812) 4.788 3.481 ( -2.447 0.633 -0.466) 2.570 3.617 ( 3.180 5.167 -1.161) 6.177 3.735 ( -7.101 1.906 -1.990) 7.617 3.778 ( 4.920 3.386 2.735) 6.569 3.816 ( 3.237 0.094 4.503) 5.547 3.944 ( -3.754 5.299 -0.346) 6.503 3.972 ( 3.572 2.885 5.669) 7.295 4.097 ( -2.855 -1.634 -0.253) 3.299 4.282 ( -0.214 4.239 4.562) 6.231 4.315 ( 5.770 2.398 -3.492) 7.158 4.393 ( -4.323 -0.301 -1.990) 4.769 4.604 ( -0.814 6.224 -5.409) 8.286 4.620 ( 2.202 3.679 3.219) 5.361 4.699 ( -2.497 6.536 2.939) 7.589 4.762 ( 0.456 5.010 -7.824) 9.302 4.796 ( -4.428 14.931 -5.828) 16.628 4.879 ( -1.096 7.262 1.516) 7.499 4.934 ( -2.262 9.558 -3.062) 10.288 5.081 ( 1.597 6.241 -0.441) 6.457 5.172 ( 2.986 5.140 1.962) 6.259 5.198 ( 3.331 4.510 -0.430) 5.623 5.214 ( 3.295 4.388 4.440) 7.058 5.390 ( -1.212 5.437 2.762) 6.217 5.488 ( -4.499 3.112 -5.434) 7.711 5.529 ( -1.704 5.362 -4.895) 7.458 5.599 ( -6.830 5.683 4.803) 10.100 5.654 ( 2.422 -0.572 0.811) 2.617 5.747 ( -4.184 3.952 5.784) 8.160 5.751 ( 1.825 7.900 -2.738) 8.558 6.048 ( 5.956 6.609 -0.958) 8.948 6.096 ( 2.859 3.752 10.148) 11.191 6.142 ( 7.901 7.097 -5.321) 11.879 6.170 ( -2.448 6.799 1.707) 7.425 6.289 ( 1.715 6.911 -1.291) 7.237 6.585 ( 0.441 2.656 -5.324) 5.966 6.720 ( 3.412 1.485 1.541) 4.027 6.870 ( 0.344 6.821 -0.373) 6.840 6.955 ( -1.135 -1.644 -2.162) 2.944 7.004 ( -2.068 -0.466 4.266) 4.764 7.208 ( 8.145 3.131 5.637) 10.388 7.275 ( -4.580 0.152 -2.434) 5.189 7.496 ( 1.613 -0.851 5.603) 5.892 7.656 ( -5.425 3.404 0.298) 6.411 7.690 ( -2.899 2.206 -1.867) 4.094 7.850 ( -7.662 -2.000 -1.550) 8.069 7.927 ( -5.333 -0.357 -2.265) 5.805 8.136 ( -6.181 1.187 -7.426) 9.735 8.397 ( -1.647 1.154 -1.532) 2.528 8.673 ( 6.016 0.233 4.488) 7.509 8.739 ( 3.360 -3.180 7.836) 9.100 8.948 ( -5.220 -3.129 4.335) 7.472 9.106 ( 2.309 -4.262 -4.090) 6.342 9.120 ( 2.106 -7.871 -1.289) 8.249 9.167 ( -1.227 -5.727 -2.418) 6.336 9.330 ( -4.248 -2.150 3.491) 5.904 9.539 ( 2.558 -5.390 -1.127) 6.072 9.702 ( 2.787 0.021 -3.282) 4.306 9.756 ( 2.232 3.546 -4.227) 5.952 10.156 ( 2.066 -4.799 -4.772) 7.076 10.271 ( -0.516 -0.178 2.692) 2.747 10.502 ( 3.059 3.080 3.247) 5.421 10.528 ( 4.320 2.881 2.959) 5.976 10.737 ( -2.247 -7.195 -4.117) 8.589 10.903 ( 2.475 -3.829 1.818) 4.909 10.959 ( 5.799 0.297 2.820) 6.455 11.202 ( 5.268 -7.943 4.171) 10.404 11.376 ( -7.083 -7.305 -9.361) 13.826 11.435 ( -9.138 -6.117 -10.792) 15.407 11.704 ( 0.414 -4.583 -7.943) 9.180 11.779 ( -9.966 -0.866 6.999) 12.209 11.944 ( -5.008 -4.062 3.836) 7.503 12.062 ( -1.194 -3.497 -2.415) 4.415 12.110 ( -3.580 -8.461 5.601) 10.760 12.278 ( 7.689 -6.906 3.759) 10.997 12.441 ( -0.166 -2.940 -0.988) 3.106 12.500 ( 9.747 -5.821 -0.055) 11.353 12.624 ( -1.890 1.397 3.082) 3.876 12.733 ( -3.773 -0.446 -2.170) 4.375 12.937 ( 3.316 1.607 -1.508) 3.981 13.060 ( 4.947 1.009 -0.482) 5.072 13.073 ( -1.147 -3.893 1.600) 4.363 13.189 ( 2.275 -2.981 -3.470) 5.109 13.406 ( -4.880 0.227 -4.290) 6.501 13.502 ( 1.691 0.489 -7.253) 7.464 13.542 ( -3.942 0.754 6.239) 7.419 13.654 ( -1.153 -3.267 4.076) 5.349 13.793 ( 2.372 1.116 -2.965) 3.958 13.856 ( 1.755 -0.764 -0.527) 1.985 14.077 ( 1.633 -1.214 8.200) 8.449 14.162 ( 2.906 -1.819 -3.784) 5.106 14.221 ( -5.560 -5.630 0.980) 7.973 14.415 ( -0.856 -3.876 -0.639) 4.021 14.570 ( 3.257 -0.828 1.764) 3.795 14.727 ( 6.740 -6.681 0.008) 9.490 14.845 ( -1.010 0.096 -1.796) 2.063 15.000 ( 2.529 -1.172 3.588) 4.544 15.165 ( -3.110 5.031 2.059) 6.263 15.287 ( 5.061 7.750 -2.196) 9.513 15.391 ( -5.311 7.299 1.285) 9.118 15.468 ( 0.182 7.444 -1.830) 7.667 17.138 ( -1.505 -2.339 0.639) 2.854 17.175 ( -0.779 -1.051 0.465) 1.389 18.025 ( 1.136 5.145 0.439) 5.288 18.274 ( 9.033 6.796 4.274) 12.085 18.645 ( -6.204 3.286 -7.413) 10.210 19.141 ( 2.975 3.076 7.676) 8.788 19.681 ( -6.227 -0.385 -3.141) 6.985 19.962 ( 0.231 1.572 -0.435) 1.647 21.029 ( 2.710 -1.025 -1.954) 3.494 21.289 ( 3.522 0.730 7.175) 8.026 22.430 ( -1.053 2.679 -7.183) 7.738 22.706 ( -1.279 2.177 5.210) 5.789 24.461 ( -4.745 -4.263 1.366) 6.524 24.647 ( -0.742 -9.175 2.011) 9.422 25.056 ( -2.033 3.382 -4.159) 5.733 25.197 ( -0.342 2.515 -0.450) 2.578 25.636 ( 1.304 0.906 -4.122) 4.418 25.687 ( -2.001 0.478 3.274) 3.867 26.199 ( 2.215 -7.048 -3.535) 8.190 26.273 ( -0.624 -8.397 4.296) 9.453 26.671 ( 1.710 3.808 1.722) 4.516 26.723 ( 4.846 0.436 -0.986) 4.965 26.860 ( -3.948 5.381 -0.397) 6.686 27.053 ( 3.066 8.093 5.071) 10.031 27.118 ( -6.742 4.191 -4.218) 8.990 27.368 ( 2.740 4.071 -0.553) 4.939 27.467 ( -0.046 2.564 -1.533) 2.987 27.481 ( -2.951 0.750 -0.971) 3.196 27.700 ( 1.443 3.791 2.176) 4.603 27.829 ( 0.940 11.547 7.714) 13.918 27.954 ( -2.986 7.750 1.960) 8.534 28.064 ( 3.463 5.758 0.897) 6.779 28.926 ( -0.216 -1.148 -0.489) 1.267 28.951 ( -0.905 -0.998 -1.055) 1.712 29.100 ( -5.033 3.566 -5.325) 8.149 29.341 ( 0.950 6.730 3.197) 7.511 29.463 ( -2.537 4.007 -1.307) 4.919 29.722 ( -2.014 -1.223 -6.295) 6.722 29.966 ( 4.504 -2.802 3.190) 6.189 30.023 ( 11.346 -5.005 -1.596) 12.503 30.496 ( -0.127 -1.806 -1.029) 2.082 30.537 ( 0.634 -0.581 0.053) 0.861 31.433 ( -2.644 -3.484 -0.842) 4.454 31.629 ( -1.726 -7.435 0.216) 7.635 31.841 ( 4.290 -0.214 2.003) 4.739 31.980 ( 2.625 -0.559 5.093) 5.757 33.927 ( -7.217 -6.461 -2.495) 10.003 34.005 ( -2.190 -5.084 -5.021) 7.473 ======================= Grid point 79 (38/44) ======================= q-point: ( 0.40 0.14 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 4.799 -0.026 -6.262) 7.890 0.886 ( -11.662 2.316 4.774) 12.812 1.094 ( -3.406 16.565 2.412) 17.082 1.121 ( -1.065 14.606 -4.876) 15.435 1.244 ( 5.617 1.066 2.849) 6.387 1.296 ( 0.238 6.249 3.292) 7.067 1.380 ( 6.427 6.274 -9.468) 13.050 1.421 ( -4.990 5.329 3.458) 8.078 1.601 ( 4.230 0.169 -1.568) 4.514 1.682 ( -4.149 6.711 2.972) 8.431 1.745 ( -3.982 2.613 7.766) 9.110 1.823 ( -5.517 -0.940 -4.960) 7.478 1.934 ( 1.060 3.889 3.940) 5.636 1.990 ( -1.071 4.199 -1.144) 4.482 2.033 ( 1.104 2.154 0.445) 2.461 2.107 ( -6.429 2.470 -0.183) 6.889 2.381 ( 4.025 -0.419 -1.281) 4.244 2.402 ( -0.278 -0.453 2.127) 2.192 2.448 ( 6.835 4.097 5.481) 9.672 2.542 ( -1.350 -2.267 1.473) 3.021 2.567 ( 0.582 -0.658 -1.829) 2.029 2.623 ( -2.844 -3.280 3.713) 5.712 2.772 ( -3.097 3.284 -0.342) 4.527 2.821 ( 1.197 5.386 -5.192) 7.577 2.910 ( 4.022 7.658 3.581) 9.362 2.931 ( 4.309 6.776 2.751) 8.488 2.989 ( -2.276 3.266 -0.805) 4.061 3.054 ( -3.353 9.014 -3.249) 10.152 3.124 ( 1.655 0.854 5.788) 6.080 3.200 ( 0.505 2.180 -2.803) 3.587 3.363 ( 1.073 2.030 -1.048) 2.524 3.378 ( -2.111 2.104 0.412) 3.009 3.504 ( 2.360 0.574 5.025) 5.582 3.590 ( -4.228 3.947 -0.733) 5.831 3.671 ( 5.104 6.673 -0.808) 8.440 3.811 ( -1.833 2.770 -1.768) 3.763 3.895 ( -1.325 5.252 -0.231) 5.421 3.924 ( -2.195 3.118 -2.083) 4.345 4.031 ( 1.614 -0.218 4.063) 4.377 4.079 ( 2.078 1.533 0.220) 2.591 4.328 ( 1.671 2.549 0.417) 3.077 4.343 ( -1.980 0.336 2.632) 3.311 4.410 ( 6.389 5.430 -0.740) 8.417 4.509 ( -4.920 6.344 -0.925) 8.082 4.659 ( 0.296 9.878 -3.952) 10.643 4.674 ( -1.933 10.629 -1.351) 10.887 4.728 ( 2.549 7.338 2.960) 8.313 4.740 ( 0.446 7.573 2.207) 7.900 4.852 ( -0.459 8.600 -6.734) 10.932 4.855 ( -4.135 3.160 1.189) 5.339 5.121 ( 5.049 5.124 -1.365) 7.322 5.199 ( -1.381 7.602 1.578) 7.886 5.223 ( -1.024 4.422 0.144) 4.541 5.239 ( -2.547 5.398 -2.523) 6.480 5.387 ( -0.015 4.483 -1.328) 4.676 5.421 ( -3.059 2.835 -1.831) 4.554 5.466 ( 7.265 4.058 -0.189) 8.324 5.566 ( -5.727 7.364 7.133) 11.743 5.650 ( -4.614 3.660 1.686) 6.126 5.673 ( -0.421 6.144 -5.984) 8.587 5.923 ( 11.491 2.835 6.535) 13.519 6.107 ( 0.593 8.322 -0.730) 8.375 6.123 ( -1.332 9.634 2.607) 10.069 6.208 ( -6.501 -1.679 -5.988) 8.996 6.251 ( 0.153 -0.399 8.858) 8.868 6.277 ( 5.192 0.389 -2.909) 5.964 6.599 ( 8.809 8.481 -1.169) 12.283 6.740 ( -1.704 4.376 -3.607) 5.922 6.920 ( 2.210 0.964 2.168) 3.243 6.947 ( 0.598 0.404 0.993) 1.227 7.002 ( 1.885 2.679 3.031) 4.463 7.230 ( -1.413 1.540 -2.151) 2.999 7.263 ( -7.521 2.661 -1.958) 8.214 7.329 ( -10.996 2.281 -3.077) 11.644 7.605 ( 1.805 1.570 5.392) 5.898 7.659 ( 0.338 3.665 -3.806) 5.294 7.847 ( -1.045 0.706 -0.896) 1.547 7.860 ( -1.042 1.753 1.984) 2.845 8.045 ( 4.176 3.781 4.095) 6.964 8.272 ( -7.856 3.959 -7.704) 11.693 8.825 ( 4.535 -0.908 6.542) 8.012 8.901 ( 6.680 0.827 6.540) 9.385 8.975 ( -0.498 -7.430 6.621) 9.965 9.020 ( -2.917 -5.376 -5.424) 8.175 9.060 ( -1.051 -8.794 -6.157) 10.786 9.126 ( -3.784 -2.522 -3.224) 5.574 9.337 ( 1.625 -5.428 3.699) 6.767 9.466 ( -5.446 -5.359 -7.390) 10.630 9.757 ( 6.944 -1.984 0.001) 7.222 9.812 ( 1.214 2.625 0.218) 2.900 10.153 ( 2.980 -3.588 -1.529) 4.908 10.228 ( -5.070 -1.188 0.546) 5.236 10.595 ( 3.281 -0.815 1.295) 3.620 10.649 ( -0.114 -1.355 0.450) 1.432 10.722 ( 8.226 -2.177 3.174) 9.082 10.981 ( -1.469 -3.564 -0.929) 3.965 11.053 ( -7.672 -3.418 -4.852) 9.700 11.139 ( 2.561 -4.676 -3.408) 6.327 11.223 ( 2.745 -5.722 5.176) 8.189 11.402 ( 6.595 -3.372 0.033) 7.407 11.542 ( -7.231 -5.666 -6.803) 11.431 11.652 ( -9.710 0.955 -0.774) 9.787 11.891 ( -1.388 -5.129 -0.620) 5.350 11.917 ( -4.534 -3.226 -1.017) 5.657 12.195 ( 1.049 -7.023 8.352) 10.963 12.327 ( -4.825 -5.730 -6.960) 10.226 12.518 ( 11.228 -5.155 4.789) 13.250 12.609 ( 1.738 2.314 0.947) 3.045 12.681 ( 1.931 -1.219 1.086) 2.529 12.768 ( 0.505 -3.908 1.674) 4.282 12.934 ( 1.630 -3.730 3.147) 5.145 13.071 ( -2.648 -0.941 -5.109) 5.831 13.114 ( 5.352 -2.994 -2.155) 6.500 13.189 ( -0.668 -4.328 -0.710) 4.436 13.340 ( -0.852 1.293 3.991) 4.281 13.426 ( -2.283 2.380 -6.086) 6.923 13.595 ( 2.596 -1.466 5.715) 6.446 13.706 ( -0.385 1.244 -1.280) 1.826 13.754 ( -1.899 -1.439 2.274) 3.293 13.817 ( -0.883 3.264 -4.376) 5.530 14.083 ( 0.831 -2.051 -3.604) 4.229 14.132 ( -5.173 -1.959 -0.065) 5.532 14.251 ( 2.800 -7.383 8.788) 11.814 14.368 ( -1.488 -7.552 -5.607) 9.523 14.695 ( 4.506 -0.105 4.553) 6.407 14.788 ( -1.669 -0.721 -2.997) 3.505 14.895 ( 8.199 -1.419 3.550) 9.047 15.055 ( -3.452 0.656 -0.345) 3.530 15.128 ( 2.385 1.298 0.682) 2.800 15.250 ( -5.724 4.718 -2.945) 7.981 15.388 ( 1.720 6.609 3.144) 7.518 15.438 ( -0.640 6.014 -2.467) 6.531 17.136 ( -0.183 -2.236 1.477) 2.686 17.156 ( -1.004 -1.313 -0.638) 1.772 18.108 ( 5.082 6.825 4.049) 9.424 18.269 ( -6.090 8.493 -5.860) 11.981 18.737 ( 13.954 1.483 6.416) 15.430 19.057 ( -12.838 1.167 -4.216) 13.562 19.701 ( 5.811 3.159 5.069) 8.333 19.874 ( -6.051 3.692 -4.716) 8.514 21.147 ( 8.624 -3.619 2.310) 9.633 21.307 ( -6.056 -2.499 0.312) 6.559 22.461 ( 8.288 3.755 -0.025) 9.098 22.636 ( -8.624 3.132 -0.468) 9.187 24.442 ( -0.989 -1.395 5.497) 5.757 24.546 ( -4.795 -2.594 -6.532) 8.508 25.067 ( 4.167 -0.745 0.385) 4.251 25.150 ( -3.320 -0.033 -1.538) 3.659 25.637 ( 3.278 1.342 -3.531) 5.002 25.667 ( -3.675 1.016 3.042) 4.877 26.230 ( 3.564 -4.089 -1.130) 5.541 26.276 ( -2.564 -4.960 1.518) 5.787 26.743 ( 3.506 5.260 0.922) 6.388 26.777 ( 1.985 3.105 -1.536) 3.993 26.824 ( -1.340 -1.768 5.531) 5.959 26.952 ( -5.352 0.179 -6.943) 8.768 27.190 ( 4.214 4.242 8.001) 9.989 27.334 ( -2.629 0.106 -6.271) 6.800 27.457 ( 1.149 5.580 1.425) 5.873 27.479 ( 0.060 2.357 -0.006) 2.358 27.747 ( 1.994 8.163 2.582) 8.791 27.829 ( -3.897 10.248 0.249) 10.967 27.933 ( -1.645 6.023 3.493) 7.154 28.010 ( -3.855 7.468 -6.736) 10.771 28.905 ( -0.580 -0.526 0.485) 0.921 28.920 ( -0.206 -0.398 -1.932) 1.983 29.197 ( 8.393 2.515 8.427) 12.157 29.352 ( -1.818 5.618 -1.527) 6.099 29.477 ( 2.588 2.657 1.484) 3.994 29.587 ( -4.793 -0.828 -6.252) 7.921 30.069 ( 2.443 -2.790 4.691) 5.980 30.124 ( 3.199 -4.485 -4.799) 7.306 30.508 ( 1.324 -2.124 0.981) 2.688 30.537 ( -0.053 -1.211 -1.381) 1.838 31.436 ( 2.591 -5.095 1.292) 5.860 31.532 ( -5.357 -6.511 -2.360) 8.755 31.977 ( 3.998 -2.826 4.787) 6.847 32.041 ( -0.406 -1.960 0.994) 2.235 33.822 ( -0.385 -2.376 -0.969) 2.595 33.888 ( -4.075 -2.466 -4.575) 6.604 ======================= Grid point 82 (39/44) ======================= q-point: ( 0.00 0.29 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 5.056 -1.108 -4.593) 6.920 1.119 ( -5.056 -1.108 4.593) 6.920 1.215 ( 5.523 3.666 -8.293) 10.617 1.215 ( -5.523 3.666 8.293) 10.617 1.417 ( 0.032 1.086 -2.514) 2.739 1.417 ( -0.032 1.086 2.514) 2.739 1.529 ( -4.669 2.000 -5.166) 7.245 1.529 ( 4.669 2.000 5.166) 7.245 1.663 ( 0.602 6.931 -4.699) 8.395 1.663 ( -0.602 6.931 4.699) 8.395 1.909 ( -3.601 1.579 -3.473) 5.246 1.909 ( 3.601 1.579 3.473) 5.246 2.056 ( -3.933 5.190 -5.160) 8.308 2.056 ( 3.933 5.190 5.160) 8.308 2.146 ( -3.637 3.821 -0.618) 5.311 2.146 ( 3.637 3.821 0.618) 5.311 2.257 ( 3.252 5.183 -4.788) 7.770 2.257 ( -3.252 5.183 4.788) 7.770 2.451 ( -2.045 5.098 -1.464) 5.685 2.451 ( 2.045 5.098 1.464) 5.685 2.674 ( -5.584 7.697 0.573) 9.527 2.674 ( 5.584 7.697 -0.573) 9.527 2.867 ( -5.770 -0.467 0.595) 5.820 2.867 ( 5.770 -0.467 -0.595) 5.820 2.968 ( 1.350 1.894 -7.433) 7.789 2.968 ( -1.350 1.894 7.433) 7.789 3.143 ( 1.003 4.773 -3.029) 5.741 3.143 ( -1.003 4.773 3.029) 5.741 3.358 ( -0.891 7.623 -1.822) 7.889 3.358 ( 0.891 7.623 1.822) 7.889 3.536 ( 0.133 1.818 -3.338) 3.804 3.536 ( -0.133 1.818 3.338) 3.804 3.580 ( -2.409 4.095 -2.399) 5.323 3.580 ( 2.409 4.095 2.399) 5.323 3.752 ( -6.629 0.499 -0.610) 6.675 3.752 ( 6.629 0.499 0.610) 6.675 3.943 ( -1.659 4.583 -4.186) 6.425 3.943 ( 1.659 4.583 4.186) 6.425 4.045 ( -1.913 -2.191 -2.275) 3.692 4.045 ( 1.913 -2.191 2.275) 3.692 4.359 ( -0.342 6.497 -5.680) 8.637 4.359 ( 0.342 6.497 5.680) 8.637 4.577 ( -6.257 3.148 -6.581) 9.611 4.577 ( 6.257 3.148 6.581) 9.611 4.784 ( -0.412 4.964 -6.907) 8.515 4.784 ( 0.412 4.964 6.907) 8.515 4.918 ( -0.875 3.233 -2.361) 4.098 4.918 ( 0.875 3.233 2.361) 4.098 5.111 ( -0.132 1.668 -2.791) 3.254 5.111 ( 0.132 1.668 2.791) 3.254 5.213 ( 2.774 6.723 -3.035) 7.880 5.213 ( -2.774 6.723 3.035) 7.880 5.267 ( 2.218 5.672 -4.398) 7.512 5.267 ( -2.218 5.672 4.398) 7.512 5.515 ( 3.051 2.254 -5.248) 6.475 5.515 ( -3.051 2.254 5.248) 6.475 5.764 ( -4.754 3.002 -2.830) 6.295 5.764 ( 4.754 3.002 2.830) 6.295 5.895 ( -6.371 6.058 -4.628) 9.936 5.895 ( 6.371 6.058 4.628) 9.936 5.942 ( -2.689 13.782 -3.180) 14.398 5.942 ( 2.689 13.782 3.180) 14.398 6.176 ( -4.160 4.705 -1.389) 6.432 6.176 ( 4.160 4.705 1.389) 6.432 6.536 ( -3.286 8.337 -3.839) 9.748 6.536 ( 3.286 8.337 3.839) 9.748 6.728 ( -9.498 14.791 0.866) 17.599 6.728 ( 9.498 14.791 -0.866) 17.599 6.959 ( 3.160 -0.616 -5.187) 6.105 6.959 ( -3.160 -0.616 5.187) 6.105 7.121 ( -6.703 8.661 -1.941) 11.122 7.121 ( 6.703 8.661 1.941) 11.122 7.385 ( 1.214 -1.457 -1.490) 2.412 7.385 ( -1.214 -1.457 1.490) 2.412 7.694 ( 0.876 1.085 -5.318) 5.498 7.694 ( -0.876 1.085 5.318) 5.498 8.060 ( -3.209 2.364 -2.530) 4.721 8.060 ( 3.209 2.364 2.530) 4.721 8.218 ( -1.786 -7.002 -11.445) 13.535 8.218 ( 1.786 -7.002 11.445) 13.535 8.576 ( -0.634 -3.939 -5.043) 6.430 8.576 ( 0.634 -3.939 5.043) 6.430 8.887 ( 2.642 -8.907 -1.250) 9.374 8.887 ( -2.642 -8.907 1.250) 9.374 8.988 ( 3.188 -4.064 -4.726) 7.001 8.988 ( -3.188 -4.064 4.726) 7.001 9.410 ( 2.052 -7.313 -1.655) 7.773 9.410 ( -2.052 -7.313 1.655) 7.773 9.802 ( -1.152 6.581 -3.933) 7.753 9.802 ( 1.152 6.581 3.933) 7.753 10.114 ( -4.180 -4.447 -8.301) 10.303 10.114 ( 4.180 -4.447 8.301) 10.303 10.546 ( 0.120 2.472 -4.115) 4.802 10.546 ( -0.120 2.472 4.115) 4.802 10.751 ( -4.975 -3.892 -2.142) 6.670 10.751 ( 4.975 -3.892 2.142) 6.670 10.893 ( 0.991 -2.630 -4.287) 5.126 10.893 ( -0.991 -2.630 4.287) 5.126 11.393 ( -5.595 -7.020 -1.815) 9.158 11.393 ( 5.595 -7.020 1.815) 9.158 11.665 ( 0.564 -7.541 -9.393) 12.058 11.665 ( -0.564 -7.541 9.393) 12.058 11.905 ( -1.411 -5.589 -3.555) 6.773 11.905 ( 1.411 -5.589 3.555) 6.773 12.044 ( -4.935 -2.916 -2.066) 6.093 12.044 ( 4.935 -2.916 2.066) 6.093 12.307 ( -0.882 -4.998 -5.870) 7.760 12.307 ( 0.882 -4.998 5.870) 7.760 12.695 ( -3.645 -1.682 0.469) 4.041 12.695 ( 3.645 -1.682 -0.469) 4.041 13.023 ( 2.642 4.969 -3.271) 6.509 13.023 ( -2.642 4.969 3.271) 6.509 13.107 ( 9.419 -4.552 -5.069) 11.625 13.107 ( -9.419 -4.552 5.069) 11.625 13.428 ( 4.888 -4.436 -5.776) 8.771 13.428 ( -4.888 -4.436 5.776) 8.771 13.583 ( 0.038 -1.239 -2.170) 2.499 13.583 ( -0.038 -1.239 2.170) 2.499 13.781 ( -2.095 2.040 -0.833) 3.041 13.781 ( 2.095 2.040 0.833) 3.041 14.130 ( 6.010 1.358 -5.889) 8.523 14.130 ( -6.010 1.358 5.889) 8.523 14.229 ( -0.984 -2.671 -0.677) 2.926 14.229 ( 0.984 -2.671 0.677) 2.926 14.609 ( 2.388 1.059 -1.898) 3.229 14.609 ( -2.388 1.059 1.898) 3.229 14.894 ( -0.611 -1.095 -4.348) 4.525 14.894 ( 0.611 -1.095 4.348) 4.525 15.361 ( 5.402 6.287 -3.705) 9.079 15.361 ( -5.402 6.287 3.705) 9.079 15.557 ( -0.934 1.942 -2.989) 3.685 15.557 ( 0.934 1.942 2.989) 3.685 17.139 ( -1.574 -0.744 -1.144) 2.083 17.139 ( 1.574 -0.744 1.144) 2.083 18.167 ( -5.772 3.085 -7.025) 9.601 18.167 ( 5.772 3.085 7.025) 9.601 19.006 ( -10.598 5.087 -8.105) 14.279 19.006 ( 10.598 5.087 8.105) 14.279 19.848 ( -7.533 -0.755 -5.347) 9.269 19.848 ( 7.533 -0.755 5.347) 9.269 21.160 ( -4.780 2.471 -5.754) 7.877 21.160 ( 4.780 2.471 5.754) 7.877 22.623 ( 0.263 1.350 -8.658) 8.766 22.623 ( -0.263 1.350 8.658) 8.766 24.437 ( -0.773 -3.809 -5.149) 6.451 24.437 ( 0.773 -3.809 5.149) 6.451 25.217 ( -2.893 1.566 -2.324) 4.028 25.217 ( 2.893 1.566 2.324) 4.028 25.674 ( -0.258 0.159 -2.800) 2.817 25.674 ( 0.258 0.159 2.800) 2.817 26.083 ( 1.401 -4.021 -5.166) 6.694 26.083 ( -1.401 -4.021 5.166) 6.694 26.729 ( 2.063 2.923 -2.703) 4.485 26.729 ( -2.063 2.923 2.703) 4.485 27.022 ( -2.207 1.292 -2.936) 3.893 27.022 ( 2.207 1.292 2.936) 3.893 27.439 ( -1.970 4.955 -1.611) 5.570 27.439 ( 1.970 4.955 1.611) 5.570 27.540 ( -2.127 3.154 0.024) 3.805 27.540 ( 2.127 3.154 -0.024) 3.805 27.842 ( -4.595 5.380 -5.118) 8.732 27.842 ( 4.595 5.380 5.118) 8.732 28.178 ( -1.439 11.633 -5.186) 12.817 28.178 ( 1.439 11.633 5.186) 12.817 28.924 ( -0.137 -1.297 -1.019) 1.655 28.924 ( 0.137 -1.297 1.019) 1.655 29.345 ( -5.298 2.366 -4.779) 7.518 29.345 ( 5.298 2.366 4.779) 7.518 29.655 ( -4.951 0.484 -1.943) 5.341 29.655 ( 4.951 0.484 1.943) 5.341 29.844 ( -2.647 -1.823 -4.535) 5.559 29.844 ( 2.647 -1.823 4.535) 5.559 30.489 ( -0.025 -1.741 -2.751) 3.256 30.489 ( 0.025 -1.741 2.751) 3.256 31.459 ( 1.984 -3.294 -5.978) 7.108 31.459 ( -1.984 -3.294 5.978) 7.108 31.833 ( -1.581 -2.861 -2.723) 4.254 31.833 ( 1.581 -2.861 2.723) 4.254 33.880 ( -0.763 -6.472 -1.034) 6.598 33.880 ( 0.763 -6.472 1.034) 6.598 ======================= Grid point 84 (40/44) ======================= q-point: ( 0.20 0.29 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -12.321 2.745 1.519) 12.715 1.110 ( 1.014 5.131 -2.022) 5.608 1.174 ( -4.559 1.643 6.632) 8.214 1.292 ( 5.907 2.537 -8.398) 10.576 1.355 ( -5.462 0.143 3.443) 6.458 1.420 ( -5.675 5.505 3.815) 8.779 1.462 ( -0.259 1.953 4.538) 4.948 1.568 ( -5.179 8.934 -1.421) 10.424 1.696 ( -2.135 1.879 7.011) 7.566 1.734 ( 2.192 -4.326 5.062) 7.010 1.818 ( -4.344 -0.741 0.794) 4.478 1.876 ( -3.617 8.825 2.516) 9.864 2.035 ( -2.054 2.215 1.340) 3.305 2.103 ( 0.520 2.805 -0.150) 2.856 2.159 ( 0.013 6.617 1.690) 6.830 2.188 ( -1.910 8.222 0.489) 8.456 2.281 ( 4.646 1.852 5.049) 7.107 2.338 ( 7.770 1.068 1.134) 7.925 2.425 ( 0.465 3.666 1.799) 4.110 2.486 ( 1.801 4.781 -1.586) 5.349 2.615 ( -2.955 4.643 1.177) 5.628 2.727 ( -7.923 -0.262 -0.609) 7.951 2.839 ( 9.533 7.051 0.618) 11.873 2.902 ( 0.645 2.309 -6.943) 7.345 2.931 ( 2.519 1.517 -1.941) 3.524 3.017 ( 0.350 4.334 5.006) 6.630 3.116 ( -1.884 3.160 -1.930) 4.154 3.156 ( -1.989 3.585 3.649) 5.489 3.309 ( -2.196 6.294 -6.944) 9.626 3.355 ( 0.874 7.414 0.707) 7.498 3.423 ( -4.897 0.520 0.251) 4.930 3.472 ( -4.240 2.324 -2.441) 5.416 3.536 ( -4.799 6.197 0.938) 7.894 3.695 ( 3.004 3.330 0.970) 4.588 3.753 ( 2.677 0.979 4.628) 5.435 3.862 ( 0.236 2.078 1.315) 2.470 3.901 ( 4.842 7.668 1.236) 9.153 3.981 ( -0.788 -1.024 -0.724) 1.481 4.038 ( 1.543 0.498 2.699) 3.148 4.073 ( -1.047 -0.463 -0.313) 1.187 4.298 ( -0.897 0.486 -1.408) 1.738 4.411 ( -1.810 2.537 -1.885) 3.642 4.469 ( 2.925 10.447 3.908) 11.531 4.672 ( -0.597 2.056 -3.832) 4.390 4.740 ( 2.758 6.792 0.736) 7.367 4.812 ( -1.237 3.189 -0.510) 3.458 4.871 ( -0.793 4.097 -4.428) 6.084 4.940 ( -0.661 2.086 -0.838) 2.343 5.070 ( -2.622 7.536 4.477) 9.150 5.124 ( 0.244 6.731 -0.688) 6.770 5.176 ( 0.051 1.067 0.083) 1.072 5.280 ( 0.665 3.289 2.036) 3.925 5.306 ( 4.391 5.916 -2.421) 7.756 5.338 ( 3.846 6.259 3.637) 8.197 5.505 ( 0.182 5.483 0.962) 5.570 5.535 ( -1.519 1.290 0.611) 2.084 5.591 ( -5.494 2.068 -9.140) 10.862 5.683 ( -6.527 6.312 0.505) 9.094 5.838 ( -2.222 7.230 3.857) 8.490 5.923 ( 1.400 12.689 -0.393) 12.772 5.964 ( -0.680 8.130 1.208) 8.247 6.110 ( 2.474 2.544 5.066) 6.185 6.150 ( 8.450 5.984 -2.551) 10.664 6.258 ( 4.480 6.684 -2.995) 8.586 6.370 ( -8.066 1.090 -0.928) 8.192 6.521 ( -5.882 21.138 -0.026) 21.941 6.751 ( 5.812 6.676 1.139) 8.924 6.862 ( 5.597 11.772 -3.641) 13.533 6.959 ( 0.726 6.333 3.376) 7.213 6.971 ( -3.458 -1.883 3.802) 5.473 7.057 ( -0.492 10.175 1.316) 10.271 7.255 ( 1.620 1.854 1.047) 2.676 7.318 ( 0.216 3.534 2.720) 4.465 7.500 ( 7.535 1.009 2.230) 7.922 7.703 ( 3.874 -1.084 -1.907) 4.453 7.734 ( -5.783 3.674 -5.482) 8.775 7.822 ( -5.580 -1.299 1.198) 5.854 7.987 ( -5.458 5.818 -4.420) 9.120 8.121 ( -1.150 -2.679 -9.294) 9.741 8.355 ( -2.426 -5.424 3.198) 6.747 8.561 ( 5.714 -10.371 6.755) 13.632 8.697 ( 3.652 -2.253 3.795) 5.728 8.831 ( -2.725 -8.412 2.510) 9.191 8.868 ( -1.953 -8.056 0.153) 8.291 9.065 ( 6.530 -3.019 -2.818) 7.727 9.075 ( 4.753 -4.036 -0.215) 6.239 9.297 ( -8.058 -4.094 -3.904) 9.845 9.395 ( 0.239 -5.756 -0.885) 5.829 9.682 ( -4.213 0.683 -0.954) 4.373 9.846 ( -0.352 2.376 -1.576) 2.873 10.026 ( -0.006 -6.500 -2.646) 7.017 10.242 ( 0.137 -2.909 3.094) 4.249 10.524 ( 1.889 0.008 -2.672) 3.272 10.612 ( -2.357 -3.357 0.155) 4.105 10.647 ( 2.625 6.069 4.134) 7.798 10.819 ( 2.640 -2.453 1.710) 3.989 10.935 ( 4.134 -3.793 1.000) 5.699 11.034 ( 5.455 -6.534 2.685) 8.925 11.243 ( -4.468 -4.209 -0.887) 6.202 11.330 ( -8.519 -3.090 -5.404) 10.551 11.552 ( -2.146 -8.589 -10.654) 13.852 11.682 ( -4.939 -7.130 2.936) 9.157 11.839 ( -3.381 -4.793 -0.394) 5.879 11.948 ( -1.958 -6.415 3.740) 7.679 12.041 ( 4.574 -0.322 0.748) 4.646 12.180 ( 5.531 -1.591 2.780) 6.391 12.328 ( 6.730 -9.172 -1.659) 11.497 12.393 ( 0.786 -2.575 4.429) 5.184 12.627 ( -2.875 -2.339 0.698) 3.772 12.706 ( 2.231 0.037 -1.465) 2.669 12.916 ( -10.233 -5.039 -1.869) 11.558 12.978 ( -1.987 0.426 5.294) 5.671 13.127 ( 3.315 -2.868 -8.934) 9.952 13.162 ( 6.356 3.341 -2.950) 7.763 13.350 ( -6.976 -5.753 3.575) 9.724 13.453 ( 2.938 -2.807 -5.613) 6.929 13.522 ( -2.523 0.264 1.994) 3.227 13.641 ( 3.192 -0.755 2.183) 3.940 13.801 ( -0.536 0.395 1.032) 1.228 13.868 ( 3.750 0.799 0.278) 3.844 14.085 ( -4.732 1.739 6.509) 8.232 14.110 ( -1.763 -3.278 -3.851) 5.356 14.180 ( -2.174 1.265 0.926) 2.681 14.272 ( 2.262 -4.900 -4.793) 7.218 14.622 ( 2.609 2.853 2.925) 4.848 14.681 ( 6.052 0.476 1.418) 6.234 14.854 ( 1.258 0.357 -3.744) 3.965 14.970 ( 3.862 -1.681 1.753) 4.562 15.268 ( -6.743 4.729 2.214) 8.529 15.446 ( 4.370 5.515 -4.948) 8.602 15.478 ( -2.874 2.075 -0.926) 3.664 15.583 ( -1.657 3.832 2.331) 4.782 17.103 ( -1.161 -0.765 0.297) 1.422 17.167 ( -0.199 0.031 1.127) 1.145 18.085 ( 2.609 1.146 -2.667) 3.903 18.409 ( 11.232 5.321 7.476) 14.504 18.727 ( -11.373 3.896 -5.346) 13.157 19.217 ( 2.768 3.766 2.975) 5.540 19.686 ( -2.222 0.891 -2.815) 3.695 19.987 ( 2.629 0.725 1.694) 3.210 21.046 ( -1.488 2.346 -1.444) 3.131 21.289 ( 1.987 -0.663 2.847) 3.534 22.495 ( -3.705 3.271 0.593) 4.978 22.739 ( 3.322 0.684 -1.448) 3.688 24.388 ( -0.216 -2.572 -1.177) 2.837 24.502 ( -1.134 -4.354 5.653) 7.225 25.110 ( -2.405 1.504 -5.858) 6.509 25.233 ( -0.723 1.285 -3.376) 3.684 25.650 ( 0.339 0.362 -0.477) 0.688 25.707 ( -0.395 1.294 1.982) 2.400 26.085 ( 2.527 -4.040 -0.630) 4.806 26.139 ( 0.378 -4.361 5.258) 6.842 26.737 ( 1.162 2.422 1.368) 3.014 26.760 ( 3.475 2.309 -2.092) 4.667 26.939 ( -4.264 2.399 -0.719) 4.945 27.083 ( -0.486 1.089 3.355) 3.560 27.313 ( -5.149 5.460 -4.296) 8.648 27.435 ( -0.913 2.246 -3.974) 4.655 27.522 ( 0.624 5.250 0.035) 5.287 27.566 ( 0.983 5.213 -0.155) 5.307 27.810 ( 3.109 6.737 1.458) 7.562 27.935 ( -0.281 2.886 1.981) 3.511 28.115 ( -1.552 6.002 -3.554) 7.146 28.311 ( 0.216 13.641 11.778) 18.023 28.901 ( -0.860 -1.299 -0.268) 1.581 28.929 ( -0.127 -1.028 -1.508) 1.830 29.183 ( -2.957 3.861 -4.442) 6.586 29.441 ( 1.383 2.564 3.834) 4.815 29.552 ( -3.248 3.496 0.924) 4.861 29.700 ( -2.082 -0.570 -7.789) 8.082 29.885 ( 9.212 -3.972 0.966) 10.078 29.948 ( 3.150 -1.957 4.769) 6.041 30.455 ( -0.038 -1.982 -2.350) 3.075 30.509 ( -0.252 -1.892 0.974) 2.142 31.369 ( -4.462 -2.372 0.418) 5.071 31.479 ( -2.204 -6.427 -1.642) 6.990 31.828 ( 2.543 -1.140 2.588) 3.803 31.927 ( 4.016 -3.910 1.595) 5.827 33.808 ( -3.365 -4.488 -1.557) 5.821 33.886 ( -0.311 -5.553 -2.862) 6.254 ======================= Grid point 85 (41/44) ======================= q-point: ( 0.40 0.29 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -2.061 6.057 4.544) 7.847 0.973 ( -9.503 6.552 -2.520) 11.815 1.234 ( 0.817 1.958 2.875) 3.573 1.288 ( -3.577 0.665 -0.337) 3.654 1.369 ( 10.708 -1.605 -4.008) 11.545 1.401 ( 1.144 6.948 0.835) 7.091 1.438 ( -4.782 8.367 1.896) 9.822 1.487 ( -5.695 3.350 2.695) 7.135 1.655 ( -3.334 2.503 3.325) 5.333 1.716 ( -6.150 -1.408 0.294) 6.316 1.843 ( 2.961 -1.479 4.446) 5.543 1.913 ( -1.149 5.495 1.281) 5.758 2.005 ( 0.990 5.653 0.793) 5.794 2.097 ( -5.538 4.785 -1.748) 7.525 2.139 ( 2.098 4.269 0.010) 4.757 2.160 ( -1.454 5.636 1.464) 6.002 2.383 ( 2.962 -0.643 2.718) 4.071 2.440 ( 1.055 2.520 -0.236) 2.742 2.513 ( 2.427 4.645 -1.577) 5.473 2.531 ( 1.641 -1.998 3.409) 4.278 2.585 ( 1.241 1.921 -2.255) 3.211 2.624 ( -1.908 4.816 3.260) 6.120 2.827 ( -1.921 2.519 -0.479) 3.204 2.909 ( -1.344 1.600 -7.343) 7.634 2.975 ( 4.138 0.801 -1.692) 4.542 3.000 ( -2.389 2.529 3.743) 5.110 3.115 ( -0.555 6.485 -0.805) 6.558 3.144 ( -2.689 0.985 1.818) 3.393 3.271 ( 5.328 6.567 -0.309) 8.463 3.319 ( -1.710 8.618 -0.030) 8.786 3.395 ( -0.603 2.940 0.108) 3.003 3.438 ( -3.809 4.029 -1.533) 5.752 3.530 ( 3.586 1.029 8.253) 9.057 3.688 ( -3.007 4.905 -4.078) 7.052 3.801 ( 1.704 6.342 0.741) 6.608 3.853 ( -2.414 2.091 0.013) 3.194 3.962 ( -1.675 1.003 -2.253) 2.981 3.973 ( -1.313 -0.316 -1.507) 2.024 4.038 ( 4.954 0.595 1.272) 5.149 4.085 ( -0.213 -0.708 1.024) 1.263 4.353 ( 2.485 0.576 5.015) 5.627 4.408 ( 0.677 4.502 -0.711) 4.608 4.570 ( 2.992 9.939 2.388) 10.650 4.607 ( -1.256 2.485 -0.887) 2.922 4.781 ( 0.924 3.104 -2.663) 4.193 4.788 ( -0.587 3.826 2.179) 4.442 4.840 ( 2.566 4.675 -2.968) 6.104 4.897 ( -2.974 1.922 -1.101) 3.708 5.060 ( -0.991 12.025 -0.008) 12.066 5.086 ( -3.512 9.419 0.757) 10.081 5.218 ( 2.565 4.631 1.136) 5.414 5.288 ( -1.020 2.093 -3.637) 4.319 5.325 ( 0.853 2.996 1.880) 3.639 5.366 ( -0.001 4.973 -2.050) 5.379 5.436 ( -4.869 0.264 1.061) 4.990 5.468 ( -2.920 2.491 -3.156) 4.969 5.602 ( 10.576 6.705 -1.055) 12.567 5.718 ( 3.615 8.394 4.143) 10.034 5.786 ( -10.427 8.686 4.139) 14.188 5.821 ( -3.392 7.798 -4.925) 9.827 6.074 ( 7.188 7.214 1.228) 10.257 6.188 ( -1.442 -0.344 4.374) 4.618 6.235 ( -2.943 4.614 -1.663) 5.720 6.259 ( 2.983 4.782 -1.894) 5.946 6.338 ( 6.231 6.858 2.184) 9.520 6.445 ( -3.748 17.958 0.137) 18.345 6.798 ( 0.911 6.289 -0.020) 6.355 6.873 ( -2.016 4.951 -6.037) 8.064 6.928 ( 1.087 2.594 2.250) 3.602 6.986 ( -4.321 5.497 3.973) 8.041 7.131 ( 6.471 9.987 4.568) 12.747 7.296 ( 5.523 4.572 -1.376) 7.300 7.331 ( -5.011 4.340 -2.291) 7.014 7.420 ( -10.322 6.164 -6.380) 13.611 7.653 ( 2.874 2.742 6.697) 7.786 7.730 ( 1.657 2.205 -5.067) 5.769 7.857 ( -0.599 0.417 0.836) 1.110 7.906 ( -2.643 1.628 -2.124) 3.762 8.084 ( 8.300 -1.840 0.983) 8.558 8.268 ( -6.704 -4.826 -2.601) 8.660 8.758 ( 3.318 -10.458 6.103) 12.554 8.797 ( 1.693 -10.186 2.881) 10.720 8.838 ( 2.090 -3.625 2.622) 4.938 8.891 ( 5.630 -3.001 2.212) 6.753 9.010 ( -5.868 5.107 -4.610) 9.043 9.078 ( -3.971 -2.738 -4.338) 6.487 9.219 ( 3.225 -5.339 2.161) 6.601 9.356 ( -6.044 -4.006 -3.872) 8.221 9.675 ( 8.358 -4.890 -1.031) 9.738 9.823 ( -4.882 -1.608 -0.544) 5.169 10.033 ( 3.403 -8.120 2.566) 9.171 10.174 ( -6.548 -3.869 -2.777) 8.097 10.561 ( 3.146 -3.377 -1.271) 4.787 10.583 ( -1.591 -3.437 1.597) 4.110 10.773 ( 7.988 5.825 2.956) 10.319 10.904 ( 2.370 -2.477 2.339) 4.151 10.971 ( -4.332 -3.321 -0.645) 5.497 11.027 ( -3.506 -5.807 -3.924) 7.836 11.139 ( 0.603 -1.281 0.453) 1.486 11.276 ( -3.821 -5.868 -4.173) 8.152 11.443 ( 3.865 -4.333 4.288) 7.218 11.609 ( -4.205 -5.045 -3.330) 7.363 11.792 ( -0.881 -3.365 0.472) 3.510 11.862 ( -6.032 -2.531 -3.473) 7.406 12.104 ( 2.542 -1.810 4.046) 5.110 12.233 ( -6.627 -2.610 -4.184) 8.261 12.415 ( 13.037 -3.852 4.725) 14.392 12.567 ( 7.110 -6.248 1.795) 9.634 12.623 ( -1.920 -3.646 1.895) 4.535 12.706 ( -4.784 -2.823 -2.221) 5.983 12.846 ( 4.303 -3.560 5.055) 7.533 13.001 ( -3.364 -3.361 2.840) 5.539 13.055 ( 0.407 -4.654 -7.737) 9.038 13.121 ( -2.606 -3.462 -5.726) 7.181 13.347 ( -0.133 -0.887 6.513) 6.574 13.417 ( -0.662 -2.241 -4.742) 5.287 13.563 ( 4.181 0.485 2.468) 4.880 13.696 ( -5.666 -0.573 -3.088) 6.478 13.763 ( 2.832 0.644 5.626) 6.331 13.867 ( -1.047 0.082 -4.498) 4.619 14.057 ( 1.763 -0.361 -2.730) 3.270 14.106 ( -4.409 -0.747 2.119) 4.948 14.150 ( -1.389 -1.192 7.589) 7.807 14.225 ( 0.783 -4.037 -8.025) 9.017 14.723 ( 2.994 1.753 4.140) 5.402 14.792 ( 0.284 0.948 -2.291) 2.496 14.897 ( 9.049 0.839 3.214) 9.639 15.060 ( 0.404 -0.231 -0.890) 1.004 15.177 ( -0.336 3.112 0.126) 3.132 15.314 ( -8.552 1.231 -2.619) 9.028 15.524 ( 4.525 5.762 -2.876) 7.871 15.562 ( -3.273 5.169 2.574) 6.637 17.114 ( 1.270 0.129 1.096) 1.682 17.153 ( -1.911 0.610 -0.039) 2.007 18.191 ( 8.714 1.433 2.576) 9.199 18.412 ( -9.719 4.473 -6.320) 12.426 18.781 ( 11.832 2.445 10.607) 16.077 19.092 ( -10.763 2.052 -7.723) 13.405 19.779 ( 7.992 3.897 4.665) 10.041 19.952 ( -5.270 3.379 -3.178) 7.020 21.100 ( 5.999 -0.718 2.811) 6.664 21.251 ( -5.914 -2.493 -2.268) 6.807 22.541 ( 3.933 3.565 6.237) 8.191 22.691 ( -3.499 1.787 -6.238) 7.372 24.412 ( 2.728 -1.404 1.179) 3.287 24.486 ( -4.416 -2.497 1.045) 5.179 25.069 ( 2.687 0.551 -1.347) 3.056 25.148 ( -3.672 0.038 -3.587) 5.133 25.670 ( 2.067 1.743 -0.504) 2.751 25.700 ( -2.013 2.009 1.158) 3.071 26.141 ( 3.108 -4.101 0.472) 5.168 26.175 ( -1.391 -4.340 2.391) 5.146 26.784 ( 4.091 0.195 -3.033) 5.097 26.804 ( -0.644 0.312 3.939) 4.004 26.887 ( 1.151 5.218 0.326) 5.353 27.007 ( -7.240 4.025 -2.591) 8.679 27.287 ( 1.821 3.427 3.685) 5.352 27.369 ( -1.283 2.142 -5.006) 5.594 27.545 ( 1.084 4.972 0.887) 5.165 27.569 ( -0.149 4.702 -1.082) 4.827 27.901 ( 3.979 4.618 -0.368) 6.106 27.944 ( -2.086 5.591 3.961) 7.162 28.077 ( 4.103 6.869 -0.936) 8.056 28.258 ( -11.282 11.929 -0.625) 16.431 28.892 ( -0.016 -0.694 0.847) 1.095 28.910 ( -0.010 -0.607 -1.796) 1.896 29.265 ( 8.327 3.470 6.749) 11.267 29.465 ( -4.397 4.684 -1.190) 6.534 29.521 ( 1.009 0.897 -1.831) 2.275 29.564 ( -3.584 -1.110 -3.326) 5.014 30.010 ( 2.998 -2.550 1.886) 4.364 30.031 ( 2.109 -3.473 0.032) 4.063 30.459 ( 2.255 -2.349 -0.551) 3.302 30.498 ( -1.701 -2.332 0.023) 2.886 31.336 ( -0.185 -3.996 1.652) 4.328 31.393 ( -3.651 -6.109 -2.395) 7.508 31.923 ( 2.967 -2.395 3.670) 5.292 31.974 ( 0.497 -3.784 -1.014) 3.949 33.771 ( 0.397 -2.320 0.574) 2.422 33.824 ( -2.268 -3.342 -3.338) 5.240 ======================= Grid point 88 (42/44) ======================= q-point: ( 0.00 0.43 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -8.253 0.502 -4.128) 9.242 1.115 ( 8.253 0.502 4.128) 9.242 1.285 ( -5.460 1.789 -3.724) 6.846 1.285 ( 5.460 1.789 3.724) 6.846 1.401 ( -4.230 -0.584 -1.666) 4.584 1.401 ( 4.230 -0.584 1.666) 4.584 1.539 ( 0.611 -0.237 -1.807) 1.923 1.539 ( -0.611 -0.237 1.808) 1.923 1.772 ( -0.132 2.936 -1.423) 3.266 1.772 ( 0.132 2.936 1.423) 3.266 1.892 ( -1.973 -1.150 -1.293) 2.625 1.892 ( 1.973 -1.150 1.293) 2.625 2.089 ( 0.115 -0.206 -1.671) 1.688 2.089 ( -0.115 -0.206 1.671) 1.688 2.262 ( 0.094 3.459 -0.934) 3.585 2.262 ( -0.094 3.459 0.934) 3.585 2.322 ( 0.961 2.049 -5.497) 5.945 2.322 ( -0.961 2.049 5.497) 5.945 2.575 ( -1.656 4.397 -4.709) 6.652 2.575 ( 1.656 4.397 4.709) 6.652 2.800 ( 1.354 1.275 -4.964) 5.301 2.800 ( -1.354 1.275 4.964) 5.301 2.890 ( 1.399 4.165 -4.772) 6.486 2.890 ( -1.399 4.165 4.772) 6.486 2.994 ( -0.954 0.958 -4.424) 4.627 2.994 ( 0.954 0.958 4.424) 4.627 3.182 ( 0.760 -0.965 -2.195) 2.516 3.182 ( -0.760 -0.965 2.195) 2.516 3.455 ( 0.666 1.621 -3.654) 4.052 3.455 ( -0.666 1.621 3.654) 4.052 3.531 ( -3.620 -1.287 -3.781) 5.390 3.531 ( 3.620 -1.287 3.781) 5.390 3.661 ( 0.043 4.185 -5.489) 6.903 3.661 ( -0.043 4.185 5.489) 6.903 3.757 ( -4.271 0.331 -1.066) 4.415 3.757 ( 4.271 0.331 1.066) 4.415 3.962 ( -0.392 -3.658 -2.538) 4.469 3.962 ( 0.392 -3.658 2.538) 4.469 4.037 ( 2.569 2.414 -2.877) 4.550 4.037 ( -2.569 2.414 2.877) 4.550 4.488 ( -1.276 3.750 -4.905) 6.305 4.488 ( 1.276 3.750 4.905) 6.305 4.664 ( -3.084 5.170 -5.843) 8.389 4.664 ( 3.084 5.170 5.843) 8.389 4.831 ( 0.919 -0.475 -3.819) 3.956 4.831 ( -0.919 -0.475 3.819) 3.956 4.970 ( -0.627 1.503 -0.510) 1.707 4.970 ( 0.627 1.503 0.510) 1.707 5.074 ( 1.838 -3.093 -1.553) 3.919 5.074 ( -1.838 -3.093 1.553) 3.919 5.320 ( 3.924 2.204 -3.392) 5.636 5.320 ( -3.924 2.204 3.392) 5.636 5.433 ( 4.646 11.407 -5.149) 13.350 5.433 ( -4.646 11.407 5.149) 13.350 5.532 ( 0.286 0.247 -2.108) 2.142 5.532 ( -0.286 0.247 2.108) 2.142 5.690 ( 2.641 -9.266 -6.948) 11.879 5.690 ( -2.641 -9.266 6.948) 11.879 5.946 ( -8.326 0.789 -1.048) 8.429 5.946 ( 8.326 0.789 1.048) 8.429 6.199 ( 0.858 7.103 -3.660) 8.036 6.199 ( -0.858 7.103 3.660) 8.036 6.337 ( 5.106 8.191 -5.820) 11.270 6.337 ( -5.106 8.191 5.820) 11.270 6.605 ( -12.054 0.176 -3.833) 12.650 6.605 ( 12.054 0.176 3.833) 12.650 6.902 ( 0.619 0.304 -4.000) 4.058 6.902 ( -0.619 0.304 4.000) 4.058 7.099 ( -7.444 11.460 0.198) 13.666 7.099 ( 7.444 11.460 -0.198) 13.666 7.289 ( -3.025 0.659 -0.436) 3.126 7.289 ( 3.025 0.659 0.436) 3.126 7.346 ( 5.703 1.292 -2.897) 6.526 7.346 ( -5.703 1.292 2.897) 6.526 7.731 ( -0.469 3.225 -6.124) 6.938 7.731 ( 0.469 3.225 6.124) 6.938 8.024 ( -1.677 -3.517 -12.667) 13.253 8.024 ( 1.677 -3.517 12.667) 13.253 8.151 ( -1.148 -1.571 -0.317) 1.971 8.151 ( 1.148 -1.571 0.317) 1.971 8.470 ( 3.623 -3.204 -4.821) 6.829 8.470 ( -3.623 -3.204 4.821) 6.829 8.768 ( -3.377 -3.501 -0.761) 4.924 8.768 ( 3.377 -3.501 0.761) 4.924 8.929 ( 5.340 -1.098 -4.394) 7.002 8.929 ( -5.340 -1.098 4.394) 7.002 9.236 ( -2.928 -6.862 -3.783) 8.365 9.236 ( 2.928 -6.862 3.783) 8.365 9.933 ( -7.055 5.511 -3.035) 9.453 9.933 ( 7.055 5.511 3.035) 9.453 10.034 ( -2.851 -3.550 -6.649) 8.059 10.034 ( 2.851 -3.550 6.649) 8.059 10.601 ( -2.024 2.612 -3.663) 4.934 10.601 ( 2.024 2.612 3.663) 4.934 10.671 ( -6.775 -2.416 -2.365) 7.572 10.671 ( 6.775 -2.416 2.365) 7.572 10.879 ( -2.756 -0.722 -0.330) 2.868 10.879 ( 2.756 -0.722 0.330) 2.868 11.277 ( -7.784 -3.662 -0.218) 8.605 11.277 ( 7.784 -3.662 0.218) 8.605 11.570 ( -3.799 -1.199 -2.698) 4.811 11.570 ( 3.799 -1.199 2.698) 4.811 11.825 ( -0.901 -1.687 -1.216) 2.266 11.825 ( 0.901 -1.687 1.216) 2.266 11.977 ( -4.600 -3.332 0.066) 5.680 11.977 ( 4.600 -3.332 -0.066) 5.680 12.244 ( -2.924 -1.029 -8.659) 9.197 12.244 ( 2.924 -1.029 8.659) 9.197 12.712 ( -5.267 2.936 -0.306) 6.038 12.712 ( 5.267 2.936 0.306) 6.038 12.928 ( -4.173 -7.292 0.025) 8.402 12.928 ( 4.173 -7.292 -0.025) 8.402 13.159 ( -0.176 3.867 -1.338) 4.095 13.159 ( 0.176 3.867 1.338) 4.095 13.369 ( 3.421 -1.670 -8.410) 9.231 13.369 ( -3.421 -1.670 8.410) 9.231 13.566 ( 1.179 -0.400 -1.887) 2.261 13.566 ( -1.179 -0.400 1.887) 2.261 13.813 ( -2.617 0.841 -0.420) 2.781 13.813 ( 2.617 0.841 0.420) 2.781 14.102 ( 1.086 -1.526 -5.261) 5.585 14.102 ( -1.086 -1.526 5.261) 5.585 14.247 ( 0.681 1.525 -3.583) 3.953 14.247 ( -0.681 1.525 3.583) 3.953 14.633 ( 1.009 0.821 -1.219) 1.783 14.633 ( -1.009 0.821 1.219) 1.783 14.870 ( 1.155 -0.872 -4.631) 4.852 14.870 ( -1.155 -0.872 4.631) 4.852 15.451 ( 7.001 2.242 -5.514) 9.189 15.451 ( -7.001 2.242 5.514) 9.189 15.566 ( -1.917 -0.261 -4.970) 5.333 15.566 ( 1.917 -0.261 4.970) 5.333 17.132 ( -1.645 -0.049 -1.681) 2.352 17.132 ( 1.645 -0.049 1.681) 2.352 18.206 ( -6.214 0.852 -9.384) 11.287 18.206 ( 6.214 0.852 9.384) 11.287 19.085 ( -12.602 2.107 -5.246) 13.812 19.085 ( 12.602 2.107 5.246) 13.812 19.838 ( -6.532 -0.229 -6.710) 9.367 19.838 ( 6.532 -0.229 6.710) 9.367 21.199 ( -4.540 1.083 -1.677) 4.959 21.199 ( 4.540 1.083 1.677) 4.959 22.641 ( 6.933 0.409 -6.528) 9.532 22.641 ( -6.933 0.409 6.528) 9.532 24.393 ( -1.153 -0.846 -4.148) 4.388 24.393 ( 1.153 -0.846 4.148) 4.388 25.234 ( -2.205 0.319 -4.878) 5.362 25.234 ( 2.205 0.319 4.878) 5.362 25.675 ( -1.745 -0.061 -2.701) 3.216 25.675 ( 1.745 -0.061 2.701) 3.216 26.039 ( 1.954 -0.787 -6.106) 6.459 26.039 ( -1.954 -0.787 6.106) 6.459 26.771 ( 2.409 1.031 -3.386) 4.281 26.771 ( -2.409 1.031 3.386) 4.281 27.035 ( -2.832 0.268 -1.624) 3.276 27.035 ( 2.832 0.268 1.624) 3.276 27.476 ( -2.248 0.355 0.377) 2.307 27.476 ( 2.248 0.355 -0.377) 2.307 27.629 ( -1.766 3.114 -0.878) 3.686 27.629 ( 1.766 3.114 0.878) 3.686 27.906 ( -2.378 1.420 -1.600) 3.198 27.906 ( 2.378 1.420 1.600) 3.198 28.374 ( -4.345 5.625 -7.353) 10.227 28.374 ( 4.345 5.625 7.353) 10.227 28.898 ( -0.737 -0.863 -0.256) 1.163 28.898 ( 0.737 -0.863 0.256) 1.163 29.369 ( -4.431 0.374 -4.971) 6.669 29.369 ( 4.431 0.374 4.971) 6.669 29.665 ( -7.365 0.268 0.657) 7.399 29.665 ( 7.365 0.268 -0.657) 7.399 29.824 ( -2.781 -0.304 -5.680) 6.331 29.824 ( 2.781 -0.304 5.680) 6.331 30.460 ( 0.203 -0.847 -3.382) 3.493 30.460 ( -0.203 -0.847 3.382) 3.493 31.411 ( 4.481 -1.223 -5.476) 7.180 31.411 ( -4.481 -1.223 5.476) 7.180 31.781 ( 0.511 -1.635 -0.869) 1.921 31.781 ( -0.511 -1.635 0.869) 1.921 33.789 ( -1.525 -2.220 0.008) 2.693 33.789 ( 1.525 -2.220 -0.008) 2.693 ======================= Grid point 90 (43/44) ======================= q-point: ( 0.20 0.43 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -6.903 -0.447 5.336) 8.736 1.196 ( -1.125 0.999 1.641) 2.227 1.235 ( -1.469 4.815 3.207) 5.969 1.307 ( -6.474 -1.264 4.048) 7.739 1.363 ( 0.058 0.924 -1.438) 1.711 1.489 ( -0.487 2.632 7.155) 7.639 1.533 ( -2.999 3.510 0.350) 4.630 1.604 ( -0.603 -3.399 8.467) 9.144 1.691 ( -3.335 -0.144 0.279) 3.350 1.724 ( -2.435 0.056 3.482) 4.249 1.833 ( -6.480 2.992 -1.781) 7.356 1.940 ( -1.151 -1.346 4.971) 5.277 2.073 ( -1.147 1.277 1.176) 2.081 2.116 ( 0.967 0.266 -0.491) 1.117 2.269 ( 0.884 2.707 0.648) 2.921 2.285 ( 5.042 2.405 0.210) 5.590 2.323 ( 1.528 -0.485 -2.395) 2.882 2.391 ( 0.059 2.179 3.106) 3.794 2.468 ( -1.658 2.831 -2.844) 4.342 2.598 ( -2.365 2.203 0.317) 3.247 2.715 ( -3.357 3.784 -1.294) 5.221 2.741 ( -5.754 1.692 3.920) 7.165 2.905 ( 4.664 1.091 -7.466) 8.870 2.941 ( -1.420 -0.874 -0.882) 1.886 2.975 ( 0.707 2.320 3.875) 4.572 3.079 ( 2.138 3.443 -0.621) 4.101 3.165 ( 0.676 -0.050 -1.311) 1.476 3.178 ( 1.563 -0.080 1.511) 2.175 3.375 ( -7.298 0.262 -2.698) 7.785 3.423 ( -5.346 0.936 -1.059) 5.529 3.444 ( 1.021 0.896 1.755) 2.220 3.541 ( -1.752 4.326 -1.922) 5.048 3.667 ( -1.117 4.655 -1.814) 5.120 3.742 ( 7.637 -0.998 2.553) 8.114 3.789 ( 1.119 4.128 4.895) 6.500 3.865 ( 2.267 -2.162 4.928) 5.839 3.925 ( -0.560 -1.113 -0.568) 1.369 3.977 ( -0.164 -3.437 0.693) 3.510 4.041 ( 0.503 1.801 3.572) 4.032 4.079 ( 3.268 1.374 -2.761) 4.494 4.349 ( -4.593 3.016 -6.656) 8.632 4.439 ( -1.259 0.074 -1.323) 1.827 4.674 ( -0.196 4.789 0.413) 4.811 4.744 ( 1.884 7.497 -1.968) 7.977 4.832 ( 2.691 0.061 -2.166) 3.455 4.859 ( -1.825 2.806 5.050) 6.059 4.907 ( -0.474 0.206 -6.428) 6.449 4.942 ( 0.015 -2.135 -1.309) 2.505 5.101 ( 0.837 -1.865 3.268) 3.855 5.132 ( 2.188 -2.554 3.373) 4.763 5.272 ( -2.026 5.618 1.219) 6.095 5.327 ( 1.750 1.041 -3.010) 3.634 5.405 ( -3.104 3.529 4.925) 6.807 5.459 ( -2.389 5.225 -1.415) 5.917 5.514 ( -7.538 -1.766 5.187) 9.319 5.563 ( 1.551 -0.056 -0.928) 1.809 5.661 ( 6.278 2.517 -3.716) 7.717 5.759 ( -8.625 0.497 3.514) 9.327 5.827 ( 6.067 -4.290 5.525) 9.260 6.042 ( -0.791 3.663 1.501) 4.037 6.184 ( 3.056 6.337 -3.564) 7.886 6.232 ( 1.467 5.681 0.803) 5.922 6.280 ( -2.989 4.829 2.030) 6.031 6.356 ( -0.835 -0.501 -7.182) 7.247 6.455 ( 2.611 8.802 -5.125) 10.514 6.811 ( -5.408 2.624 0.591) 6.040 6.864 ( 7.653 0.447 1.127) 7.748 6.921 ( 1.164 1.570 -0.699) 2.075 7.022 ( -3.645 11.109 4.265) 12.446 7.177 ( -8.165 0.089 7.683) 11.212 7.240 ( 3.717 8.625 0.019) 9.392 7.324 ( 3.322 3.739 -1.118) 5.125 7.424 ( 5.971 4.483 1.275) 7.575 7.482 ( 11.776 -2.672 -0.464) 12.084 7.684 ( 2.554 0.423 -4.479) 5.173 7.787 ( 0.151 1.012 3.785) 3.921 7.802 ( -6.376 1.408 -13.982) 15.432 8.041 ( -5.014 -4.031 -1.762) 6.670 8.058 ( -5.264 -0.559 -4.707) 7.084 8.247 ( 3.331 -3.992 4.448) 6.842 8.427 ( -0.569 0.204 -0.181) 0.631 8.533 ( 2.445 -8.757 4.828) 10.295 8.737 ( 0.138 -1.007 3.382) 3.531 8.842 ( 0.803 2.661 1.075) 2.980 8.980 ( 6.604 -3.443 2.362) 7.813 9.018 ( 7.619 -1.597 -4.230) 8.860 9.115 ( -3.216 -9.900 -6.421) 12.230 9.306 ( 2.785 -3.729 0.622) 4.695 9.729 ( -8.378 1.821 3.291) 9.183 9.868 ( -6.955 2.409 -2.816) 7.881 9.943 ( -7.879 -2.810 -0.525) 8.382 10.184 ( 1.163 -1.829 2.797) 3.538 10.534 ( -1.261 1.170 -3.445) 3.851 10.556 ( -3.793 -1.637 -0.037) 4.131 10.755 ( 9.414 3.234 2.428) 10.246 10.816 ( 5.718 1.023 -2.749) 6.426 10.863 ( 3.405 -1.798 2.970) 4.863 10.926 ( 1.193 -4.264 -0.668) 4.477 11.198 ( -1.510 -0.752 5.998) 6.231 11.313 ( -8.858 1.494 -1.906) 9.183 11.397 ( -3.372 -6.198 -4.505) 8.371 11.604 ( -1.869 0.362 -3.121) 3.656 11.784 ( -2.191 -0.413 0.197) 2.238 11.833 ( -0.196 -4.657 0.546) 4.693 12.003 ( 6.097 -2.572 -0.781) 6.663 12.151 ( 9.764 -5.347 3.290) 11.608 12.201 ( 5.324 1.648 -0.401) 5.587 12.363 ( -2.164 -0.782 6.498) 6.893 12.578 ( -6.275 -1.139 -0.243) 6.382 12.759 ( 2.409 3.488 -1.559) 4.517 12.811 ( -6.568 -2.106 -1.604) 7.082 12.954 ( 1.882 -7.425 -4.139) 8.706 13.070 ( -5.323 3.226 -0.698) 6.263 13.161 ( -3.194 -3.969 -4.247) 6.633 13.332 ( -1.181 3.474 2.607) 4.501 13.400 ( 1.044 -2.665 -2.077) 3.536 13.553 ( 0.816 2.156 0.353) 2.332 13.604 ( 3.476 -2.381 0.953) 4.320 13.814 ( -0.961 0.545 2.871) 3.076 13.871 ( 0.144 -0.126 0.843) 0.865 14.051 ( -0.368 -1.871 -4.255) 4.662 14.120 ( -2.160 0.866 4.482) 5.050 14.208 ( -0.506 1.326 -3.127) 3.434 14.239 ( -2.485 -0.072 -0.371) 2.513 14.669 ( 2.933 1.581 2.415) 4.115 14.692 ( 5.241 0.010 2.343) 5.741 14.857 ( 3.039 0.059 -5.394) 6.192 14.939 ( 5.172 -1.011 1.928) 5.612 15.357 ( -7.543 3.897 3.025) 9.013 15.438 ( -5.429 -2.806 -2.568) 6.629 15.555 ( 6.759 2.467 -4.858) 8.681 15.629 ( -1.255 0.864 5.063) 5.287 17.099 ( -0.269 0.081 -0.167) 0.327 17.170 ( 0.540 0.128 1.010) 1.152 18.095 ( 2.697 0.142 -4.910) 5.603 18.478 ( 11.557 1.533 10.587) 15.748 18.783 ( -14.741 1.412 -4.921) 15.604 19.275 ( 2.532 1.535 -1.006) 3.127 19.707 ( 1.206 0.765 -2.666) 3.024 19.994 ( 3.554 0.068 3.574) 5.041 21.098 ( -4.291 1.883 1.005) 4.793 21.270 ( 1.408 -0.823 -1.325) 2.101 22.550 ( -6.148 1.671 7.409) 9.771 22.738 ( 7.076 -0.343 -7.706) 10.467 24.355 ( 0.213 -0.766 -0.681) 1.047 24.454 ( -1.125 -0.864 5.952) 6.119 25.124 ( -0.814 0.180 -8.268) 8.310 25.252 ( -2.057 0.527 -2.467) 3.255 25.653 ( 0.795 0.001 1.217) 1.453 25.729 ( -0.028 0.644 3.349) 3.411 26.035 ( 3.215 -1.001 -3.042) 4.538 26.083 ( -1.109 -1.325 6.303) 6.535 26.775 ( 0.354 1.256 1.237) 1.798 26.788 ( 2.462 0.342 -2.208) 3.325 26.972 ( -3.134 0.928 0.310) 3.283 27.101 ( 1.031 0.462 3.238) 3.429 27.368 ( -6.138 1.100 -2.320) 6.654 27.452 ( -0.696 0.191 -3.745) 3.814 27.629 ( 2.227 3.050 -1.537) 4.077 27.649 ( 0.412 2.344 -1.964) 3.085 27.931 ( 3.522 4.116 1.788) 5.704 27.970 ( 2.921 0.336 2.365) 3.774 28.222 ( -5.019 3.446 -5.674) 8.322 28.508 ( -1.263 4.969 8.688) 10.088 28.880 ( -0.533 -0.511 -0.193) 0.763 28.909 ( 0.548 -0.745 -1.095) 1.433 29.240 ( -1.944 1.477 -3.166) 3.998 29.460 ( 1.593 -0.012 3.263) 3.631 29.589 ( -3.056 0.516 1.143) 3.303 29.701 ( -3.546 0.269 -7.013) 7.863 29.836 ( 9.055 -0.943 1.552) 9.235 29.929 ( 1.531 -0.240 6.537) 6.718 30.424 ( 0.503 -0.864 -3.577) 3.714 30.475 ( -1.323 -1.008 2.063) 2.650 31.340 ( -6.464 -0.465 3.005) 7.144 31.383 ( -1.438 -2.675 -5.117) 5.950 31.805 ( 2.498 -0.737 3.138) 4.078 31.857 ( 4.718 -2.132 0.149) 5.180 33.748 ( -1.864 -1.435 -0.306) 2.372 33.803 ( 0.513 -2.181 -2.009) 3.009 ======================= Grid point 91 (44/44) ======================= q-point: ( 0.40 0.43 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -0.775 3.942 7.221) 8.264 1.100 ( -7.665 3.744 -3.568) 9.246 1.255 ( -5.430 0.020 7.985) 9.657 1.293 ( -1.823 1.248 -5.667) 6.082 1.346 ( 10.760 0.449 0.692) 10.791 1.477 ( -3.681 0.266 4.440) 5.774 1.544 ( -1.347 5.286 3.158) 6.303 1.610 ( -6.147 1.582 2.626) 6.869 1.676 ( 0.176 -0.522 -1.655) 1.744 1.690 ( -5.416 0.882 2.755) 6.140 1.767 ( 3.263 -3.468 5.108) 6.983 1.944 ( -5.377 -0.625 -5.004) 7.371 2.080 ( 0.640 1.513 2.562) 3.044 2.140 ( 0.564 -0.128 0.655) 0.873 2.200 ( -1.208 3.003 1.371) 3.515 2.293 ( -1.292 3.483 -2.632) 4.553 2.364 ( 1.731 -0.084 -0.007) 1.733 2.415 ( 0.960 -2.236 -3.386) 4.170 2.550 ( 3.486 0.361 4.540) 5.735 2.582 ( 4.747 2.335 3.619) 6.410 2.660 ( -2.837 2.022 -1.738) 3.894 2.704 ( -3.854 3.005 0.423) 4.906 2.868 ( -0.666 0.828 -4.034) 4.171 2.879 ( -2.224 -1.182 -2.161) 3.318 3.035 ( 0.202 2.913 6.602) 7.218 3.058 ( 2.061 3.107 -1.856) 4.165 3.143 ( -0.205 -1.414 -1.428) 2.020 3.207 ( -6.031 2.329 -3.616) 7.407 3.339 ( 6.060 1.345 3.587) 7.169 3.415 ( 2.469 2.089 4.013) 5.154 3.451 ( -2.569 -1.261 0.339) 2.882 3.511 ( 0.306 4.754 -2.016) 5.173 3.610 ( -0.471 4.426 -0.133) 4.453 3.732 ( -6.313 -1.001 -5.062) 8.154 3.910 ( 2.330 2.688 2.526) 4.363 3.919 ( -0.322 3.556 4.026) 5.381 3.930 ( 3.033 -1.236 -1.242) 3.502 3.961 ( -0.418 -0.818 -1.719) 1.949 4.048 ( 0.657 -0.269 -4.889) 4.940 4.066 ( -3.020 -0.028 3.463) 4.594 4.337 ( 4.926 -1.688 3.423) 6.231 4.482 ( -2.521 1.746 -2.889) 4.213 4.620 ( 2.758 0.281 7.303) 7.812 4.768 ( 0.077 5.749 -5.839) 8.194 4.829 ( 0.888 3.308 -0.518) 3.464 4.849 ( -1.784 1.733 0.855) 2.630 4.887 ( 4.288 0.392 -4.859) 6.492 4.929 ( -3.396 0.223 1.314) 3.648 5.163 ( 2.574 1.121 3.022) 4.125 5.203 ( 1.325 0.878 2.888) 3.296 5.287 ( 0.672 2.844 1.884) 3.477 5.318 ( 0.517 0.958 -4.177) 4.316 5.350 ( -2.335 1.040 -3.489) 4.325 5.398 ( -6.575 -2.384 1.505) 7.154 5.431 ( -1.356 0.573 3.406) 3.711 5.486 ( -5.189 -0.218 -1.407) 5.381 5.746 ( 5.777 5.935 3.617) 9.038 5.834 ( 7.267 0.765 -0.859) 7.357 5.905 ( -5.322 3.900 -0.372) 6.609 5.946 ( -3.910 1.008 -1.740) 4.397 6.223 ( 2.463 7.627 -0.825) 8.058 6.237 ( -3.656 4.887 5.475) 8.199 6.303 ( 3.407 0.553 -1.076) 3.616 6.404 ( 0.528 6.590 -5.645) 8.693 6.452 ( 11.799 2.829 5.772) 13.437 6.751 ( -6.091 6.986 -1.167) 9.341 6.824 ( -4.401 -2.978 -1.381) 5.491 6.874 ( -4.710 3.168 -1.050) 5.772 7.055 ( 6.330 4.580 -6.020) 9.863 7.105 ( -8.634 2.335 9.063) 12.734 7.341 ( 5.041 7.249 3.495) 9.496 7.398 ( 5.373 6.018 -1.067) 8.138 7.475 ( -1.404 6.545 -2.061) 7.004 7.542 ( -5.388 4.475 -10.236) 12.403 7.678 ( 4.132 -1.498 6.687) 8.002 7.721 ( 4.987 -1.995 -3.659) 6.499 7.858 ( 0.820 -0.491 -0.035) 0.957 7.902 ( -4.472 -1.812 -4.012) 6.275 7.979 ( 3.242 -4.631 3.964) 6.904 8.185 ( -8.103 -1.014 -5.087) 9.621 8.501 ( 4.888 -9.434 3.555) 11.204 8.596 ( -2.110 -7.940 0.073) 8.216 8.840 ( 3.311 0.341 5.235) 6.204 8.882 ( 2.367 2.154 0.802) 3.299 9.044 ( 3.971 0.369 -5.131) 6.499 9.066 ( 0.425 -0.712 0.810) 1.159 9.133 ( 8.999 -2.658 2.347) 9.672 9.350 ( -3.149 1.300 -0.191) 3.412 9.612 ( -2.987 1.345 -2.153) 3.920 9.740 ( -12.590 -7.294 -0.741) 14.569 9.886 ( 7.327 -3.526 6.361) 10.324 10.104 ( -7.311 -2.065 -5.358) 9.296 10.499 ( 0.115 -1.539 0.217) 1.558 10.521 ( -0.944 -2.040 -0.875) 2.412 10.859 ( 5.445 -0.330 -3.818) 6.659 10.892 ( 1.496 0.485 1.332) 2.061 10.915 ( 2.455 0.294 -1.437) 2.860 10.997 ( 0.253 1.494 4.369) 4.625 11.115 ( -3.899 -0.697 -1.137) 4.121 11.234 ( -7.050 -0.294 -3.576) 7.910 11.362 ( 4.672 -2.658 10.572) 11.860 11.536 ( -2.027 -0.910 -5.842) 6.251 11.756 ( -1.284 -0.294 0.920) 1.607 11.790 ( -1.973 -3.621 -3.968) 5.723 12.083 ( 7.005 -0.931 -2.723) 7.573 12.221 ( -9.042 0.991 1.378) 9.200 12.379 ( 9.725 -0.269 5.935) 11.396 12.437 ( 8.739 -4.597 4.937) 11.040 12.544 ( -1.427 -3.019 0.386) 3.361 12.649 ( -7.539 -1.695 -4.263) 8.825 12.822 ( 3.304 0.858 1.206) 3.620 12.920 ( -5.176 -5.414 -3.383) 8.219 12.970 ( 0.040 -0.975 0.408) 1.058 13.041 ( -3.105 -2.958 -4.929) 6.534 13.346 ( -2.300 0.780 5.971) 6.446 13.378 ( 1.317 -1.271 -5.546) 5.840 13.613 ( 3.922 3.286 2.737) 5.802 13.693 ( 2.685 -1.427 0.417) 3.070 13.765 ( -4.152 1.408 0.772) 4.452 13.825 ( -3.390 -3.235 -2.018) 5.102 14.041 ( 4.191 -0.730 -2.751) 5.066 14.121 ( -5.175 1.366 1.730) 5.625 14.162 ( -2.245 0.794 4.714) 5.281 14.194 ( 1.557 -0.209 -5.691) 5.904 14.750 ( 1.533 0.704 4.738) 5.029 14.803 ( 1.458 0.153 -3.021) 3.358 14.913 ( 9.683 0.490 2.121) 9.924 15.052 ( 2.296 -0.299 -0.455) 2.360 15.242 ( -1.982 2.669 -3.672) 4.953 15.311 ( -8.712 -1.136 2.483) 9.130 15.606 ( 5.186 2.085 -5.332) 7.725 15.633 ( -3.856 1.660 4.895) 6.449 17.124 ( 1.727 0.460 1.498) 2.332 17.166 ( -1.207 0.435 -0.629) 1.429 18.198 ( 10.765 -0.166 0.879) 10.802 18.458 ( -13.854 0.699 -5.392) 14.883 18.821 ( 11.378 1.164 12.274) 16.777 19.127 ( -9.280 1.016 -9.685) 13.452 19.840 ( 9.161 1.711 3.515) 9.960 20.000 ( -4.327 1.178 -1.501) 4.729 21.104 ( 1.682 0.521 4.508) 4.840 21.212 ( -3.503 -1.136 -4.670) 5.947 22.595 ( -0.543 1.513 11.070) 11.186 22.709 ( 1.335 0.234 -11.110) 11.192 24.390 ( 3.481 -0.607 0.411) 3.557 24.454 ( -4.300 -0.690 2.998) 5.287 25.078 ( 3.568 0.205 -4.111) 5.447 25.151 ( -5.040 0.173 -2.083) 5.456 25.700 ( 2.685 0.940 0.300) 2.860 25.736 ( -2.090 1.140 1.842) 3.010 26.078 ( 3.790 -1.656 -1.529) 4.410 26.109 ( -2.389 -1.830 3.814) 4.858 26.794 ( 2.895 0.552 -3.430) 4.522 26.805 ( -1.627 -0.137 2.942) 3.365 26.965 ( 1.964 2.045 2.320) 3.664 27.071 ( -5.140 1.738 -2.384) 5.926 27.324 ( 0.622 0.661 4.254) 4.350 27.396 ( -0.649 0.601 -5.124) 5.200 27.635 ( 0.824 2.568 -0.499) 2.743 27.650 ( 0.586 2.597 -1.348) 2.984 27.958 ( 2.073 1.470 -0.349) 2.565 28.034 ( -5.331 2.413 0.582) 5.880 28.195 ( 10.450 3.511 1.239) 11.093 28.427 ( -11.535 4.195 -0.508) 12.285 28.881 ( 0.332 -0.291 0.631) 0.770 28.898 ( -0.174 -0.397 -1.394) 1.460 29.316 ( 7.223 1.236 6.121) 9.548 29.510 ( 1.096 -0.812 -1.308) 1.889 29.532 ( -6.433 1.542 -4.104) 7.785 29.556 ( -1.931 0.013 -0.653) 2.038 29.972 ( 5.318 -0.888 -1.129) 5.508 29.996 ( -1.004 -0.490 4.472) 4.609 30.422 ( 2.796 -1.017 -2.154) 3.674 30.458 ( -2.747 -1.174 1.517) 3.350 31.282 ( -3.474 -1.204 3.634) 5.170 31.303 ( -0.683 -2.410 -4.711) 5.335 31.886 ( 1.900 -1.035 3.049) 3.739 31.913 ( 1.723 -1.754 -1.261) 2.763 33.736 ( 0.253 -0.940 1.067) 1.444 33.771 ( -1.011 -1.473 -2.495) 3.069 =================== 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 3/25200 10.0 7.079 17.569 17.341 0.000 -3.809 0.000 3/25200 20.0 3.351 8.610 7.009 0.000 -1.839 0.000 3/25200 30.0 2.170 5.067 4.112 0.000 -0.991 0.000 3/25200 40.0 1.609 3.520 2.891 0.000 -0.645 0.000 3/25200 50.0 1.287 2.706 2.238 0.000 -0.468 0.000 3/25200 60.0 1.082 2.214 1.836 0.000 -0.364 0.000 3/25200 70.0 0.941 1.886 1.565 0.000 -0.295 0.000 3/25200 80.0 0.838 1.650 1.369 0.000 -0.247 0.000 3/25200 90.0 0.760 1.473 1.222 0.000 -0.211 0.000 3/25200 100.0 0.699 1.333 1.106 0.000 -0.183 0.000 3/25200 110.0 0.650 1.221 1.013 0.000 -0.161 0.000 3/25200 120.0 0.609 1.127 0.937 0.000 -0.143 0.000 3/25200 130.0 0.574 1.048 0.872 0.000 -0.128 0.000 3/25200 140.0 0.544 0.980 0.817 0.000 -0.115 0.000 3/25200 150.0 0.518 0.921 0.770 0.000 -0.105 0.000 3/25200 160.0 0.494 0.869 0.728 0.000 -0.096 0.000 3/25200 170.0 0.474 0.824 0.691 0.000 -0.088 0.000 3/25200 180.0 0.455 0.783 0.659 0.000 -0.081 0.000 3/25200 190.0 0.438 0.746 0.629 0.000 -0.075 0.000 3/25200 200.0 0.423 0.712 0.603 0.000 -0.069 0.000 3/25200 210.0 0.409 0.682 0.579 0.000 -0.064 0.000 3/25200 220.0 0.396 0.655 0.557 0.000 -0.060 0.000 3/25200 230.0 0.383 0.629 0.536 0.000 -0.056 0.000 3/25200 240.0 0.372 0.606 0.518 0.000 -0.053 0.000 3/25200 250.0 0.362 0.585 0.501 0.000 -0.049 0.000 3/25200 260.0 0.352 0.565 0.485 0.000 -0.047 0.000 3/25200 270.0 0.342 0.546 0.470 0.000 -0.044 0.000 3/25200 280.0 0.334 0.529 0.456 0.000 -0.042 0.000 3/25200 290.0 0.325 0.513 0.443 0.000 -0.039 0.000 3/25200 300.0 0.317 0.498 0.431 0.000 -0.037 0.000 3/25200 310.0 0.310 0.483 0.419 0.000 -0.036 0.000 3/25200 320.0 0.303 0.470 0.409 0.000 -0.034 0.000 3/25200 330.0 0.296 0.457 0.398 0.000 -0.032 0.000 3/25200 340.0 0.290 0.445 0.389 0.000 -0.031 0.000 3/25200 350.0 0.283 0.434 0.379 0.000 -0.030 0.000 3/25200 360.0 0.277 0.423 0.371 0.000 -0.028 0.000 3/25200 370.0 0.272 0.413 0.362 0.000 -0.027 0.000 3/25200 380.0 0.266 0.403 0.354 0.000 -0.026 0.000 3/25200 390.0 0.261 0.394 0.347 0.000 -0.025 0.000 3/25200 400.0 0.256 0.385 0.339 0.000 -0.024 0.000 3/25200 410.0 0.251 0.377 0.332 0.000 -0.023 0.000 3/25200 420.0 0.247 0.369 0.326 0.000 -0.022 0.000 3/25200 430.0 0.242 0.361 0.319 0.000 -0.022 0.000 3/25200 440.0 0.238 0.354 0.313 0.000 -0.021 0.000 3/25200 450.0 0.233 0.347 0.307 0.000 -0.020 0.000 3/25200 460.0 0.229 0.340 0.301 0.000 -0.020 0.000 3/25200 470.0 0.225 0.333 0.296 0.000 -0.019 0.000 3/25200 480.0 0.222 0.327 0.291 0.000 -0.018 0.000 3/25200 490.0 0.218 0.321 0.285 0.000 -0.018 0.000 3/25200 500.0 0.214 0.315 0.280 0.000 -0.017 0.000 3/25200 510.0 0.211 0.310 0.276 0.000 -0.017 0.000 3/25200 520.0 0.208 0.304 0.271 0.000 -0.016 0.000 3/25200 530.0 0.204 0.299 0.267 0.000 -0.016 0.000 3/25200 540.0 0.201 0.294 0.262 0.000 -0.016 0.000 3/25200 550.0 0.198 0.289 0.258 0.000 -0.015 0.000 3/25200 560.0 0.195 0.284 0.254 0.000 -0.015 0.000 3/25200 570.0 0.192 0.280 0.250 0.000 -0.014 0.000 3/25200 580.0 0.190 0.275 0.246 0.000 -0.014 0.000 3/25200 590.0 0.187 0.271 0.243 0.000 -0.014 0.000 3/25200 600.0 0.184 0.267 0.239 0.000 -0.013 0.000 3/25200 610.0 0.182 0.263 0.235 0.000 -0.013 0.000 3/25200 620.0 0.179 0.259 0.232 0.000 -0.013 0.000 3/25200 630.0 0.177 0.255 0.229 0.000 -0.013 0.000 3/25200 640.0 0.174 0.251 0.226 0.000 -0.012 0.000 3/25200 650.0 0.172 0.248 0.222 0.000 -0.012 0.000 3/25200 660.0 0.170 0.244 0.219 0.000 -0.012 0.000 3/25200 670.0 0.167 0.241 0.216 0.000 -0.012 0.000 3/25200 680.0 0.165 0.238 0.214 0.000 -0.011 0.000 3/25200 690.0 0.163 0.234 0.211 0.000 -0.011 0.000 3/25200 700.0 0.161 0.231 0.208 0.000 -0.011 0.000 3/25200 710.0 0.159 0.228 0.205 0.000 -0.011 0.000 3/25200 720.0 0.157 0.225 0.203 0.000 -0.011 0.000 3/25200 730.0 0.155 0.222 0.200 0.000 -0.010 0.000 3/25200 740.0 0.153 0.219 0.198 0.000 -0.010 0.000 3/25200 750.0 0.151 0.217 0.195 0.000 -0.010 0.000 3/25200 760.0 0.150 0.214 0.193 0.000 -0.010 0.000 3/25200 770.0 0.148 0.211 0.191 0.000 -0.010 0.000 3/25200 780.0 0.146 0.209 0.188 0.000 -0.010 0.000 3/25200 790.0 0.145 0.206 0.186 0.000 -0.009 0.000 3/25200 800.0 0.143 0.204 0.184 0.000 -0.009 0.000 3/25200 810.0 0.141 0.202 0.182 0.000 -0.009 0.000 3/25200 820.0 0.140 0.199 0.180 0.000 -0.009 0.000 3/25200 830.0 0.138 0.197 0.178 0.000 -0.009 0.000 3/25200 840.0 0.137 0.195 0.176 0.000 -0.009 0.000 3/25200 850.0 0.135 0.193 0.174 0.000 -0.009 0.000 3/25200 860.0 0.134 0.190 0.172 0.000 -0.008 0.000 3/25200 870.0 0.132 0.188 0.170 0.000 -0.008 0.000 3/25200 880.0 0.131 0.186 0.168 0.000 -0.008 0.000 3/25200 890.0 0.130 0.184 0.167 0.000 -0.008 0.000 3/25200 900.0 0.128 0.182 0.165 0.000 -0.008 0.000 3/25200 910.0 0.127 0.180 0.163 0.000 -0.008 0.000 3/25200 920.0 0.126 0.179 0.162 0.000 -0.008 0.000 3/25200 930.0 0.125 0.177 0.160 0.000 -0.008 0.000 3/25200 940.0 0.123 0.175 0.158 0.000 -0.008 0.000 3/25200 950.0 0.122 0.173 0.157 0.000 -0.007 0.000 3/25200 960.0 0.121 0.171 0.155 0.000 -0.007 0.000 3/25200 970.0 0.120 0.170 0.154 0.000 -0.007 0.000 3/25200 980.0 0.119 0.168 0.152 0.000 -0.007 0.000 3/25200 990.0 0.118 0.166 0.151 0.000 -0.007 0.000 3/25200 1000.0 0.116 0.165 0.149 0.000 -0.007 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m574.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:36:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|