----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:51:19]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_332 (212) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.921557630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.921557630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.921557630000000 Atomic positions (fractional): *1 Al 0.99770230784072 0.99770230784072 0.99770230784072 26.982 2 Al 0.00229769215928 0.49770230784072 0.50229769215928 26.982 *3 Al 0.11877816821609 0.62500000000000 0.13122183178391 26.982 4 Al 0.12500000000000 0.36877816821609 0.88122183178391 26.982 5 Al 0.13122183178391 0.11877816821609 0.62500000000000 26.982 6 Al 0.24770230784072 0.74770230784072 0.75229769215928 26.982 7 Al 0.25229769215928 0.25229769215928 0.25229769215928 26.982 8 Al 0.36877816821609 0.88122183178391 0.12500000000000 26.982 9 Al 0.37500000000000 0.63122183178391 0.38122183178391 26.982 10 Al 0.38122183178391 0.37500000000000 0.63122183178391 26.982 11 Al 0.49770230784072 0.50229769215928 0.00229769215928 26.982 12 Al 0.50229769215928 0.00229769215928 0.49770230784072 26.982 13 Al 0.61877816821609 0.87500000000000 0.86877816821609 26.982 14 Al 0.62500000000000 0.13122183178391 0.11877816821609 26.982 15 Al 0.63122183178391 0.38122183178391 0.37500000000000 26.982 16 Al 0.74770230784072 0.75229769215928 0.24770230784072 26.982 17 Al 0.75229769215928 0.24770230784072 0.74770230784072 26.982 18 Al 0.86877816821609 0.61877816821609 0.87500000000000 26.982 19 Al 0.87500000000000 0.86877816821609 0.61877816821609 26.982 20 Al 0.88122183178391 0.12500000000000 0.36877816821609 26.982 *21 Li 0.12500000000000 0.87500000000000 0.37500000000000 6.941 22 Li 0.37500000000000 0.12500000000000 0.87500000000000 6.941 23 Li 0.62500000000000 0.62500000000000 0.62500000000000 6.941 24 Li 0.87500000000000 0.37500000000000 0.12500000000000 6.941 *25 O 0.61451828726175 0.88548171273825 0.11451828726175 15.999 *26 O 0.61520924144488 0.61505773855825 0.36777592078646 15.999 27 O 0.86451828726175 0.86451828726175 0.86451828726175 15.999 28 O 0.86520924144488 0.11777592078646 0.13494226144175 15.999 29 O 0.86777592078646 0.88479075855512 0.38494226144175 15.999 30 O 0.88494226144175 0.63222407921354 0.11520924144488 15.999 31 O 0.11451828726175 0.61451828726175 0.88548171273825 15.999 32 O 0.11505773855825 0.13222407921354 0.38479075855512 15.999 33 O 0.11520924144488 0.88494226144175 0.63222407921354 15.999 34 O 0.11777592078646 0.13494226144175 0.86520924144488 15.999 35 O 0.13222407921354 0.38479075855512 0.11505773855825 15.999 36 O 0.13494226144175 0.86520924144488 0.11777592078646 15.999 37 O 0.36451828726175 0.63548171273825 0.13548171273825 15.999 38 O 0.36505773855825 0.13479075855512 0.61777592078646 15.999 39 O 0.36520924144488 0.38222407921354 0.86505773855825 15.999 40 O 0.36777592078646 0.61520924144488 0.61505773855825 15.999 41 O 0.38222407921354 0.86505773855825 0.36520924144488 15.999 42 O 0.38479075855512 0.11505773855825 0.13222407921354 15.999 43 O 0.38494226144175 0.86777592078646 0.88479075855512 15.999 44 O 0.38548171273825 0.38548171273825 0.38548171273825 15.999 45 O 0.61505773855825 0.36777592078646 0.61520924144488 15.999 46 O 0.61777592078646 0.36505773855825 0.13479075855512 15.999 47 O 0.63222407921354 0.11520924144488 0.88494226144175 15.999 48 O 0.63479075855512 0.88222407921354 0.63494226144175 15.999 49 O 0.63494226144175 0.63479075855512 0.88222407921354 15.999 50 O 0.63548171273825 0.13548171273825 0.36451828726175 15.999 51 O 0.86505773855825 0.36520924144488 0.38222407921354 15.999 52 O 0.88222407921354 0.63494226144175 0.63479075855512 15.999 53 O 0.88479075855512 0.38494226144175 0.86777592078646 15.999 54 O 0.88548171273825 0.11451828726175 0.61451828726175 15.999 55 O 0.13479075855512 0.61777592078646 0.36505773855825 15.999 56 O 0.13548171273825 0.36451828726175 0.63548171273825 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.921557630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.921557630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.921557630000000 Atomic positions (fractional): *1 Al 0.99770230784072 0.99770230784072 0.99770230784072 26.982 > 1 2 Al 0.00229769215928 0.49770230784072 0.50229769215928 26.982 > 2 *3 Al 0.11877816821609 0.62500000000000 0.13122183178391 26.982 > 3 4 Al 0.12500000000000 0.36877816821609 0.88122183178391 26.982 > 4 5 Al 0.13122183178391 0.11877816821609 0.62500000000000 26.982 > 5 6 Al 0.24770230784072 0.74770230784072 0.75229769215928 26.982 > 6 7 Al 0.25229769215928 0.25229769215928 0.25229769215928 26.982 > 7 8 Al 0.36877816821609 0.88122183178391 0.12500000000000 26.982 > 8 9 Al 0.37500000000000 0.63122183178391 0.38122183178391 26.982 > 9 10 Al 0.38122183178391 0.37500000000000 0.63122183178391 26.982 > 10 11 Al 0.49770230784072 0.50229769215928 0.00229769215928 26.982 > 11 12 Al 0.50229769215928 0.00229769215928 0.49770230784072 26.982 > 12 13 Al 0.61877816821609 0.87500000000000 0.86877816821609 26.982 > 13 14 Al 0.62500000000000 0.13122183178391 0.11877816821609 26.982 > 14 15 Al 0.63122183178391 0.38122183178391 0.37500000000000 26.982 > 15 16 Al 0.74770230784072 0.75229769215928 0.24770230784072 26.982 > 16 17 Al 0.75229769215928 0.24770230784072 0.74770230784072 26.982 > 17 18 Al 0.86877816821609 0.61877816821609 0.87500000000000 26.982 > 18 19 Al 0.87500000000000 0.86877816821609 0.61877816821609 26.982 > 19 20 Al 0.88122183178391 0.12500000000000 0.36877816821609 26.982 > 20 *21 Li 0.12500000000000 0.87500000000000 0.37500000000000 6.941 > 21 22 Li 0.37500000000000 0.12500000000000 0.87500000000000 6.941 > 22 23 Li 0.62500000000000 0.62500000000000 0.62500000000000 6.941 > 23 24 Li 0.87500000000000 0.37500000000000 0.12500000000000 6.941 > 24 *25 O 0.61451828726175 0.88548171273825 0.11451828726175 15.999 > 25 *26 O 0.61520924144488 0.61505773855825 0.36777592078646 15.999 > 26 27 O 0.86451828726175 0.86451828726175 0.86451828726175 15.999 > 27 28 O 0.86520924144488 0.11777592078646 0.13494226144175 15.999 > 28 29 O 0.86777592078646 0.88479075855512 0.38494226144175 15.999 > 29 30 O 0.88494226144175 0.63222407921354 0.11520924144488 15.999 > 30 31 O 0.11451828726175 0.61451828726175 0.88548171273825 15.999 > 31 32 O 0.11505773855825 0.13222407921354 0.38479075855512 15.999 > 32 33 O 0.11520924144488 0.88494226144175 0.63222407921354 15.999 > 33 34 O 0.11777592078646 0.13494226144175 0.86520924144488 15.999 > 34 35 O 0.13222407921354 0.38479075855512 0.11505773855825 15.999 > 35 36 O 0.13494226144175 0.86520924144488 0.11777592078646 15.999 > 36 37 O 0.36451828726175 0.63548171273825 0.13548171273825 15.999 > 37 38 O 0.36505773855825 0.13479075855512 0.61777592078646 15.999 > 38 39 O 0.36520924144488 0.38222407921354 0.86505773855825 15.999 > 39 40 O 0.36777592078646 0.61520924144488 0.61505773855825 15.999 > 40 41 O 0.38222407921354 0.86505773855825 0.36520924144488 15.999 > 41 42 O 0.38479075855512 0.11505773855825 0.13222407921354 15.999 > 42 43 O 0.38494226144175 0.86777592078646 0.88479075855512 15.999 > 43 44 O 0.38548171273825 0.38548171273825 0.38548171273825 15.999 > 44 45 O 0.61505773855825 0.36777592078646 0.61520924144488 15.999 > 45 46 O 0.61777592078646 0.36505773855825 0.13479075855512 15.999 > 46 47 O 0.63222407921354 0.11520924144488 0.88494226144175 15.999 > 47 48 O 0.63479075855512 0.88222407921354 0.63494226144175 15.999 > 48 49 O 0.63494226144175 0.63479075855512 0.88222407921354 15.999 > 49 50 O 0.63548171273825 0.13548171273825 0.36451828726175 15.999 > 50 51 O 0.86505773855825 0.36520924144488 0.38222407921354 15.999 > 51 52 O 0.88222407921354 0.63494226144175 0.63479075855512 15.999 > 52 53 O 0.88479075855512 0.38494226144175 0.86777592078646 15.999 > 53 54 O 0.88548171273825 0.11451828726175 0.61451828726175 15.999 > 54 55 O 0.13479075855512 0.61777592078646 0.36505773855825 15.999 > 55 56 O 0.13548171273825 0.36451828726175 0.63548171273825 15.999 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.921557630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.921557630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.921557630000000 Atomic positions (fractional): *1 Al 0.99770230784072 0.99770230784072 0.99770230784072 26.982 > 1 2 Al 0.00229769215928 0.49770230784072 0.50229769215928 26.982 > 2 *3 Al 0.11877816821609 0.62500000000000 0.13122183178391 26.982 > 3 4 Al 0.12500000000000 0.36877816821609 0.88122183178391 26.982 > 4 5 Al 0.13122183178391 0.11877816821609 0.62500000000000 26.982 > 5 6 Al 0.24770230784072 0.74770230784072 0.75229769215928 26.982 > 6 7 Al 0.25229769215928 0.25229769215928 0.25229769215928 26.982 > 7 8 Al 0.36877816821609 0.88122183178391 0.12500000000000 26.982 > 8 9 Al 0.37500000000000 0.63122183178391 0.38122183178391 26.982 > 9 10 Al 0.38122183178391 0.37500000000000 0.63122183178391 26.982 > 10 11 Al 0.49770230784072 0.50229769215928 0.00229769215928 26.982 > 11 12 Al 0.50229769215928 0.00229769215928 0.49770230784072 26.982 > 12 13 Al 0.61877816821609 0.87500000000000 0.86877816821609 26.982 > 13 14 Al 0.62500000000000 0.13122183178391 0.11877816821609 26.982 > 14 15 Al 0.63122183178391 0.38122183178391 0.37500000000000 26.982 > 15 16 Al 0.74770230784072 0.75229769215928 0.24770230784072 26.982 > 16 17 Al 0.75229769215928 0.24770230784072 0.74770230784072 26.982 > 17 18 Al 0.86877816821609 0.61877816821609 0.87500000000000 26.982 > 18 19 Al 0.87500000000000 0.86877816821609 0.61877816821609 26.982 > 19 20 Al 0.88122183178391 0.12500000000000 0.36877816821609 26.982 > 20 *21 Li 0.12500000000000 0.87500000000000 0.37500000000000 6.941 > 21 22 Li 0.37500000000000 0.12500000000000 0.87500000000000 6.941 > 22 23 Li 0.62500000000000 0.62500000000000 0.62500000000000 6.941 > 23 24 Li 0.87500000000000 0.37500000000000 0.12500000000000 6.941 > 24 *25 O 0.61451828726175 0.88548171273825 0.11451828726175 15.999 > 25 *26 O 0.61520924144488 0.61505773855825 0.36777592078646 15.999 > 26 27 O 0.86451828726175 0.86451828726175 0.86451828726175 15.999 > 27 28 O 0.86520924144488 0.11777592078646 0.13494226144175 15.999 > 28 29 O 0.86777592078646 0.88479075855512 0.38494226144175 15.999 > 29 30 O 0.88494226144175 0.63222407921354 0.11520924144488 15.999 > 30 31 O 0.11451828726175 0.61451828726175 0.88548171273825 15.999 > 31 32 O 0.11505773855825 0.13222407921354 0.38479075855512 15.999 > 32 33 O 0.11520924144488 0.88494226144175 0.63222407921354 15.999 > 33 34 O 0.11777592078646 0.13494226144175 0.86520924144488 15.999 > 34 35 O 0.13222407921354 0.38479075855512 0.11505773855825 15.999 > 35 36 O 0.13494226144175 0.86520924144488 0.11777592078646 15.999 > 36 37 O 0.36451828726175 0.63548171273825 0.13548171273825 15.999 > 37 38 O 0.36505773855825 0.13479075855512 0.61777592078646 15.999 > 38 39 O 0.36520924144488 0.38222407921354 0.86505773855825 15.999 > 39 40 O 0.36777592078646 0.61520924144488 0.61505773855825 15.999 > 40 41 O 0.38222407921354 0.86505773855825 0.36520924144488 15.999 > 41 42 O 0.38479075855512 0.11505773855825 0.13222407921354 15.999 > 42 43 O 0.38494226144175 0.86777592078646 0.88479075855512 15.999 > 43 44 O 0.38548171273825 0.38548171273825 0.38548171273825 15.999 > 44 45 O 0.61505773855825 0.36777592078646 0.61520924144488 15.999 > 45 46 O 0.61777592078646 0.36505773855825 0.13479075855512 15.999 > 46 47 O 0.63222407921354 0.11520924144488 0.88494226144175 15.999 > 47 48 O 0.63479075855512 0.88222407921354 0.63494226144175 15.999 > 48 49 O 0.63494226144175 0.63479075855512 0.88222407921354 15.999 > 49 50 O 0.63548171273825 0.13548171273825 0.36451828726175 15.999 > 50 51 O 0.86505773855825 0.36520924144488 0.38222407921354 15.999 > 51 52 O 0.88222407921354 0.63494226144175 0.63479075855512 15.999 > 52 53 O 0.88479075855512 0.38494226144175 0.86777592078646 15.999 > 53 54 O 0.88548171273825 0.11451828726175 0.61451828726175 15.999 > 54 55 O 0.13479075855512 0.61777592078646 0.36505773855825 15.999 > 55 56 O 0.13548171273825 0.36451828726175 0.63548171273825 15.999 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1769383 0.0000000 0.0000000 0.0000000 3.1769383 0.0000000 0.0000000 0.0000000 3.1769383 -------------------------- Born effective charges -------------------------- 1 Al 2.8090558 -0.0537863 0.0166099 0.0166099 2.8090558 -0.0537863 -0.0537863 0.0166099 2.8090558 2 Al 2.8090558 0.0537863 0.0166099 -0.0166099 2.8090558 0.0537863 -0.0537863 -0.0166099 2.8090558 3 Al 2.8931796 -0.0273113 0.1061845 -0.0445719 2.9011394 -0.0445719 0.1061845 -0.0273113 2.8931796 4 Al 2.9011394 0.0445719 0.0445719 0.0273113 2.8931796 0.1061845 0.0273113 0.1061845 2.8931796 5 Al 2.8931796 0.1061845 -0.0273113 0.1061845 2.8931796 -0.0273113 -0.0445719 -0.0445719 2.9011394 6 Al 2.8090558 0.0166099 0.0537863 -0.0537863 2.8090558 -0.0166099 -0.0166099 0.0537863 2.8090558 7 Al 2.8090558 0.0166099 -0.0537863 -0.0537863 2.8090558 0.0166099 0.0166099 -0.0537863 2.8090558 8 Al 2.8931796 0.1061845 0.0273113 0.1061845 2.8931796 0.0273113 0.0445719 0.0445719 2.9011394 9 Al 2.9011394 0.0445719 -0.0445719 0.0273113 2.8931796 -0.1061845 -0.0273113 -0.1061845 2.8931796 10 Al 2.8931796 -0.0273113 -0.1061845 -0.0445719 2.9011394 0.0445719 -0.1061845 0.0273113 2.8931796 11 Al 2.8090558 0.0537863 -0.0166099 -0.0166099 2.8090558 -0.0537863 0.0537863 0.0166099 2.8090558 12 Al 2.8090558 -0.0537863 -0.0166099 0.0166099 2.8090558 0.0537863 0.0537863 -0.0166099 2.8090558 13 Al 2.8931796 0.0273113 -0.1061845 0.0445719 2.9011394 -0.0445719 -0.1061845 -0.0273113 2.8931796 14 Al 2.9011394 -0.0445719 -0.0445719 -0.0273113 2.8931796 0.1061845 -0.0273113 0.1061845 2.8931796 15 Al 2.8931796 -0.1061845 0.0273113 -0.1061845 2.8931796 -0.0273113 0.0445719 -0.0445719 2.9011394 16 Al 2.8090558 -0.0166099 -0.0537863 0.0537863 2.8090558 -0.0166099 0.0166099 0.0537863 2.8090558 17 Al 2.8090558 -0.0166099 0.0537863 0.0537863 2.8090558 0.0166099 -0.0166099 -0.0537863 2.8090558 18 Al 2.8931796 -0.1061845 -0.0273113 -0.1061845 2.8931796 0.0273113 -0.0445719 0.0445719 2.9011394 19 Al 2.9011394 -0.0445719 0.0445719 -0.0273113 2.8931796 -0.1061845 0.0273113 -0.1061845 2.8931796 20 Al 2.8931796 0.0273113 0.1061845 0.0445719 2.9011394 0.0445719 0.1061845 0.0273113 2.8931796 21 Li 1.0612710 -0.0379028 -0.0379028 -0.0379028 1.0612710 0.0379028 -0.0379028 0.0379028 1.0612710 22 Li 1.0612710 -0.0379028 0.0379028 -0.0379028 1.0612710 -0.0379028 0.0379028 -0.0379028 1.0612710 23 Li 1.0612710 0.0379028 0.0379028 0.0379028 1.0612710 0.0379028 0.0379028 0.0379028 1.0612710 24 Li 1.0612710 0.0379028 -0.0379028 0.0379028 1.0612710 -0.0379028 -0.0379028 -0.0379028 1.0612710 25 O -1.9583823 0.0923957 -0.0976238 0.0976238 -1.9583823 0.0923957 -0.0923957 0.0976238 -1.9583823 26 O -2.0161954 -0.1306506 0.1542207 -0.1198927 -2.0556283 0.1856602 0.1374732 0.1743892 -1.6532346 27 O -1.9583823 -0.0976238 -0.0923957 -0.0923957 -1.9583823 -0.0976238 -0.0976238 -0.0923957 -1.9583823 28 O -2.0161954 0.1542207 0.1306506 0.1374732 -1.6532346 -0.1743892 0.1198927 -0.1856602 -2.0556283 29 O -1.6532346 -0.1374732 -0.1743892 -0.1542207 -2.0161954 -0.1306506 -0.1856602 -0.1198927 -2.0556283 30 O -2.0556283 0.1856602 0.1198927 0.1743892 -1.6532346 -0.1374732 0.1306506 -0.1542207 -2.0161954 31 O -1.9583823 -0.0923957 0.0976238 -0.0976238 -1.9583823 0.0923957 0.0923957 0.0976238 -1.9583823 32 O -2.0556283 -0.1856602 0.1198927 -0.1743892 -1.6532346 0.1374732 0.1306506 0.1542207 -2.0161954 33 O -2.0161954 0.1306506 -0.1542207 0.1198927 -2.0556283 0.1856602 -0.1374732 0.1743892 -1.6532346 34 O -1.6532346 -0.1743892 0.1374732 -0.1856602 -2.0556283 0.1198927 0.1542207 0.1306506 -2.0161954 35 O -1.6532346 0.1374732 -0.1743892 0.1542207 -2.0161954 0.1306506 -0.1856602 0.1198927 -2.0556283 36 O -2.0556283 0.1198927 -0.1856602 0.1306506 -2.0161954 0.1542207 -0.1743892 0.1374732 -1.6532346 37 O -1.9583823 0.0976238 0.0923957 0.0923957 -1.9583823 -0.0976238 0.0976238 -0.0923957 -1.9583823 38 O -2.0556283 0.1198927 0.1856602 0.1306506 -2.0161954 -0.1542207 0.1743892 -0.1374732 -1.6532346 39 O -2.0161954 -0.1542207 -0.1306506 -0.1374732 -1.6532346 -0.1743892 -0.1198927 -0.1856602 -2.0556283 40 O -1.6532346 0.1374732 0.1743892 0.1542207 -2.0161954 -0.1306506 0.1856602 -0.1198927 -2.0556283 41 O -1.6532346 -0.1743892 -0.1374732 -0.1856602 -2.0556283 -0.1198927 -0.1542207 -0.1306506 -2.0161954 42 O -2.0161954 0.1306506 0.1542207 0.1198927 -2.0556283 -0.1856602 0.1374732 -0.1743892 -1.6532346 43 O -2.0556283 -0.1856602 -0.1198927 -0.1743892 -1.6532346 -0.1374732 -0.1306506 -0.1542207 -2.0161954 44 O -1.9583823 -0.0923957 -0.0976238 -0.0976238 -1.9583823 -0.0923957 -0.0923957 -0.0976238 -1.9583823 45 O -2.0556283 0.1856602 -0.1198927 0.1743892 -1.6532346 0.1374732 -0.1306506 0.1542207 -2.0161954 46 O -1.6532346 0.1743892 -0.1374732 0.1856602 -2.0556283 0.1198927 -0.1542207 0.1306506 -2.0161954 47 O -1.6532346 -0.1374732 0.1743892 -0.1542207 -2.0161954 0.1306506 0.1856602 0.1198927 -2.0556283 48 O -2.0161954 0.1542207 -0.1306506 0.1374732 -1.6532346 0.1743892 -0.1198927 0.1856602 -2.0556283 49 O -2.0556283 -0.1198927 0.1856602 -0.1306506 -2.0161954 0.1542207 0.1743892 0.1374732 -1.6532346 50 O -1.9583823 -0.0976238 0.0923957 -0.0923957 -1.9583823 0.0976238 0.0976238 0.0923957 -1.9583823 51 O -2.0556283 -0.1198927 -0.1856602 -0.1306506 -2.0161954 -0.1542207 -0.1743892 -0.1374732 -1.6532346 52 O -1.6532346 0.1743892 0.1374732 0.1856602 -2.0556283 -0.1198927 0.1542207 -0.1306506 -2.0161954 53 O -2.0161954 -0.1306506 -0.1542207 -0.1198927 -2.0556283 -0.1856602 -0.1374732 -0.1743892 -1.6532346 54 O -1.9583823 0.0923957 0.0976238 0.0976238 -1.9583823 -0.0923957 0.0923957 -0.0976238 -1.9583823 55 O -2.0161954 -0.1542207 0.1306506 -0.1374732 -1.6532346 0.1743892 0.1198927 0.1856602 -2.0556283 56 O -1.9583823 0.0976238 -0.0923957 0.0923957 -1.9583823 0.0976238 -0.0976238 0.0923957 -1.9583823 ---------------------------------------------------------------------------- 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: 168/168 Permutation basis: 14028/14028 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 625 Number of blocks in projector: 625 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 406 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 219 Use standard eigh solver. Tree of FC basis block matrices: - (625, 603), data: False |-- (219, 211), data: True |-- (406, 392), data: True ----- Solver_atoms: 1 -- 56 / 56 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 320 - Time: 0.341 Solver_block: 200 / 320 - Time: 0.307 Solver_block: 300 / 320 - Time: 0.329 Solver_block: 320 / 320 - Time: 0.094 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.082 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 168/168 Permutation basis: 14028/14028 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 625 Number of blocks in projector: 625 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 406 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 219 Use standard eigh solver. Tree of FC basis block matrices: - (625, 603), data: False |-- (219, 211), data: True |-- (406, 392), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:51:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:51:29]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_332 (212) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.921557630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.921557630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.921557630000000 Atomic positions (fractional): 1 Al 0.99770230784072 0.99770230784072 0.99770230784072 26.982 2 Al 0.00229769215928 0.49770230784072 0.50229769215928 26.982 3 Al 0.11877816821609 0.62500000000000 0.13122183178391 26.982 4 Al 0.12500000000000 0.36877816821609 0.88122183178391 26.982 5 Al 0.13122183178391 0.11877816821609 0.62500000000000 26.982 6 Al 0.24770230784072 0.74770230784072 0.75229769215928 26.982 7 Al 0.25229769215928 0.25229769215928 0.25229769215928 26.982 8 Al 0.36877816821609 0.88122183178391 0.12500000000000 26.982 9 Al 0.37500000000000 0.63122183178391 0.38122183178391 26.982 10 Al 0.38122183178391 0.37500000000000 0.63122183178391 26.982 11 Al 0.49770230784072 0.50229769215928 0.00229769215928 26.982 12 Al 0.50229769215928 0.00229769215928 0.49770230784072 26.982 13 Al 0.61877816821609 0.87500000000000 0.86877816821609 26.982 14 Al 0.62500000000000 0.13122183178391 0.11877816821609 26.982 15 Al 0.63122183178391 0.38122183178391 0.37500000000000 26.982 16 Al 0.74770230784072 0.75229769215928 0.24770230784072 26.982 17 Al 0.75229769215928 0.24770230784072 0.74770230784072 26.982 18 Al 0.86877816821609 0.61877816821609 0.87500000000000 26.982 19 Al 0.87500000000000 0.86877816821609 0.61877816821609 26.982 20 Al 0.88122183178391 0.12500000000000 0.36877816821609 26.982 21 Li 0.12500000000000 0.87500000000000 0.37500000000000 6.941 22 Li 0.37500000000000 0.12500000000000 0.87500000000000 6.941 23 Li 0.62500000000000 0.62500000000000 0.62500000000000 6.941 24 Li 0.87500000000000 0.37500000000000 0.12500000000000 6.941 25 O 0.61451828726175 0.88548171273825 0.11451828726175 15.999 26 O 0.61520924144488 0.61505773855825 0.36777592078646 15.999 27 O 0.86451828726175 0.86451828726175 0.86451828726175 15.999 28 O 0.86520924144488 0.11777592078646 0.13494226144175 15.999 29 O 0.86777592078646 0.88479075855512 0.38494226144175 15.999 30 O 0.88494226144175 0.63222407921354 0.11520924144488 15.999 31 O 0.11451828726175 0.61451828726175 0.88548171273825 15.999 32 O 0.11505773855825 0.13222407921354 0.38479075855512 15.999 33 O 0.11520924144488 0.88494226144175 0.63222407921354 15.999 34 O 0.11777592078646 0.13494226144175 0.86520924144488 15.999 35 O 0.13222407921354 0.38479075855512 0.11505773855825 15.999 36 O 0.13494226144175 0.86520924144488 0.11777592078646 15.999 37 O 0.36451828726175 0.63548171273825 0.13548171273825 15.999 38 O 0.36505773855825 0.13479075855512 0.61777592078646 15.999 39 O 0.36520924144488 0.38222407921354 0.86505773855825 15.999 40 O 0.36777592078646 0.61520924144488 0.61505773855825 15.999 41 O 0.38222407921354 0.86505773855825 0.36520924144488 15.999 42 O 0.38479075855512 0.11505773855825 0.13222407921354 15.999 43 O 0.38494226144175 0.86777592078646 0.88479075855512 15.999 44 O 0.38548171273825 0.38548171273825 0.38548171273825 15.999 45 O 0.61505773855825 0.36777592078646 0.61520924144488 15.999 46 O 0.61777592078646 0.36505773855825 0.13479075855512 15.999 47 O 0.63222407921354 0.11520924144488 0.88494226144175 15.999 48 O 0.63479075855512 0.88222407921354 0.63494226144175 15.999 49 O 0.63494226144175 0.63479075855512 0.88222407921354 15.999 50 O 0.63548171273825 0.13548171273825 0.36451828726175 15.999 51 O 0.86505773855825 0.36520924144488 0.38222407921354 15.999 52 O 0.88222407921354 0.63494226144175 0.63479075855512 15.999 53 O 0.88479075855512 0.38494226144175 0.86777592078646 15.999 54 O 0.88548171273825 0.11451828726175 0.61451828726175 15.999 55 O 0.13479075855512 0.61777592078646 0.36505773855825 15.999 56 O 0.13548171273825 0.36451828726175 0.63548171273825 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.921557630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.921557630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.921557630000000 Atomic positions (fractional): 1 Al 0.99770230784072 0.99770230784072 0.99770230784072 26.982 > 1 2 Al 0.00229769215928 0.49770230784072 0.50229769215928 26.982 > 2 3 Al 0.11877816821609 0.62500000000000 0.13122183178391 26.982 > 3 4 Al 0.12500000000000 0.36877816821609 0.88122183178391 26.982 > 4 5 Al 0.13122183178391 0.11877816821609 0.62500000000000 26.982 > 5 6 Al 0.24770230784072 0.74770230784072 0.75229769215928 26.982 > 6 7 Al 0.25229769215928 0.25229769215928 0.25229769215928 26.982 > 7 8 Al 0.36877816821609 0.88122183178391 0.12500000000000 26.982 > 8 9 Al 0.37500000000000 0.63122183178391 0.38122183178391 26.982 > 9 10 Al 0.38122183178391 0.37500000000000 0.63122183178391 26.982 > 10 11 Al 0.49770230784072 0.50229769215928 0.00229769215928 26.982 > 11 12 Al 0.50229769215928 0.00229769215928 0.49770230784072 26.982 > 12 13 Al 0.61877816821609 0.87500000000000 0.86877816821609 26.982 > 13 14 Al 0.62500000000000 0.13122183178391 0.11877816821609 26.982 > 14 15 Al 0.63122183178391 0.38122183178391 0.37500000000000 26.982 > 15 16 Al 0.74770230784072 0.75229769215928 0.24770230784072 26.982 > 16 17 Al 0.75229769215928 0.24770230784072 0.74770230784072 26.982 > 17 18 Al 0.86877816821609 0.61877816821609 0.87500000000000 26.982 > 18 19 Al 0.87500000000000 0.86877816821609 0.61877816821609 26.982 > 19 20 Al 0.88122183178391 0.12500000000000 0.36877816821609 26.982 > 20 21 Li 0.12500000000000 0.87500000000000 0.37500000000000 6.941 > 21 22 Li 0.37500000000000 0.12500000000000 0.87500000000000 6.941 > 22 23 Li 0.62500000000000 0.62500000000000 0.62500000000000 6.941 > 23 24 Li 0.87500000000000 0.37500000000000 0.12500000000000 6.941 > 24 25 O 0.61451828726175 0.88548171273825 0.11451828726175 15.999 > 25 26 O 0.61520924144488 0.61505773855825 0.36777592078646 15.999 > 26 27 O 0.86451828726175 0.86451828726175 0.86451828726175 15.999 > 27 28 O 0.86520924144488 0.11777592078646 0.13494226144175 15.999 > 28 29 O 0.86777592078646 0.88479075855512 0.38494226144175 15.999 > 29 30 O 0.88494226144175 0.63222407921354 0.11520924144488 15.999 > 30 31 O 0.11451828726175 0.61451828726175 0.88548171273825 15.999 > 31 32 O 0.11505773855825 0.13222407921354 0.38479075855512 15.999 > 32 33 O 0.11520924144488 0.88494226144175 0.63222407921354 15.999 > 33 34 O 0.11777592078646 0.13494226144175 0.86520924144488 15.999 > 34 35 O 0.13222407921354 0.38479075855512 0.11505773855825 15.999 > 35 36 O 0.13494226144175 0.86520924144488 0.11777592078646 15.999 > 36 37 O 0.36451828726175 0.63548171273825 0.13548171273825 15.999 > 37 38 O 0.36505773855825 0.13479075855512 0.61777592078646 15.999 > 38 39 O 0.36520924144488 0.38222407921354 0.86505773855825 15.999 > 39 40 O 0.36777592078646 0.61520924144488 0.61505773855825 15.999 > 40 41 O 0.38222407921354 0.86505773855825 0.36520924144488 15.999 > 41 42 O 0.38479075855512 0.11505773855825 0.13222407921354 15.999 > 42 43 O 0.38494226144175 0.86777592078646 0.88479075855512 15.999 > 43 44 O 0.38548171273825 0.38548171273825 0.38548171273825 15.999 > 44 45 O 0.61505773855825 0.36777592078646 0.61520924144488 15.999 > 45 46 O 0.61777592078646 0.36505773855825 0.13479075855512 15.999 > 46 47 O 0.63222407921354 0.11520924144488 0.88494226144175 15.999 > 47 48 O 0.63479075855512 0.88222407921354 0.63494226144175 15.999 > 48 49 O 0.63494226144175 0.63479075855512 0.88222407921354 15.999 > 49 50 O 0.63548171273825 0.13548171273825 0.36451828726175 15.999 > 50 51 O 0.86505773855825 0.36520924144488 0.38222407921354 15.999 > 51 52 O 0.88222407921354 0.63494226144175 0.63479075855512 15.999 > 52 53 O 0.88479075855512 0.38494226144175 0.86777592078646 15.999 > 53 54 O 0.88548171273825 0.11451828726175 0.61451828726175 15.999 > 54 55 O 0.13479075855512 0.61777592078646 0.36505773855825 15.999 > 55 56 O 0.13548171273825 0.36451828726175 0.63548171273825 15.999 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1769383 0.0000000 0.0000000 0.0000000 3.1769383 0.0000000 0.0000000 0.0000000 3.1769383 -------------------------- Born effective charges -------------------------- 1 Al 2.8090558 -0.0537863 0.0166099 0.0166099 2.8090558 -0.0537863 -0.0537863 0.0166099 2.8090558 2 Al 2.8090558 0.0537863 0.0166099 -0.0166099 2.8090558 0.0537863 -0.0537863 -0.0166099 2.8090558 3 Al 2.8931796 -0.0273113 0.1061845 -0.0445719 2.9011394 -0.0445719 0.1061845 -0.0273113 2.8931796 4 Al 2.9011394 0.0445719 0.0445719 0.0273113 2.8931796 0.1061845 0.0273113 0.1061845 2.8931796 5 Al 2.8931796 0.1061845 -0.0273113 0.1061845 2.8931796 -0.0273113 -0.0445719 -0.0445719 2.9011394 6 Al 2.8090558 0.0166099 0.0537863 -0.0537863 2.8090558 -0.0166099 -0.0166099 0.0537863 2.8090558 7 Al 2.8090558 0.0166099 -0.0537863 -0.0537863 2.8090558 0.0166099 0.0166099 -0.0537863 2.8090558 8 Al 2.8931796 0.1061845 0.0273113 0.1061845 2.8931796 0.0273113 0.0445719 0.0445719 2.9011394 9 Al 2.9011394 0.0445719 -0.0445719 0.0273113 2.8931796 -0.1061845 -0.0273113 -0.1061845 2.8931796 10 Al 2.8931796 -0.0273113 -0.1061845 -0.0445719 2.9011394 0.0445719 -0.1061845 0.0273113 2.8931796 11 Al 2.8090558 0.0537863 -0.0166099 -0.0166099 2.8090558 -0.0537863 0.0537863 0.0166099 2.8090558 12 Al 2.8090558 -0.0537863 -0.0166099 0.0166099 2.8090558 0.0537863 0.0537863 -0.0166099 2.8090558 13 Al 2.8931796 0.0273113 -0.1061845 0.0445719 2.9011394 -0.0445719 -0.1061845 -0.0273113 2.8931796 14 Al 2.9011394 -0.0445719 -0.0445719 -0.0273113 2.8931796 0.1061845 -0.0273113 0.1061845 2.8931796 15 Al 2.8931796 -0.1061845 0.0273113 -0.1061845 2.8931796 -0.0273113 0.0445719 -0.0445719 2.9011394 16 Al 2.8090558 -0.0166099 -0.0537863 0.0537863 2.8090558 -0.0166099 0.0166099 0.0537863 2.8090558 17 Al 2.8090558 -0.0166099 0.0537863 0.0537863 2.8090558 0.0166099 -0.0166099 -0.0537863 2.8090558 18 Al 2.8931796 -0.1061845 -0.0273113 -0.1061845 2.8931796 0.0273113 -0.0445719 0.0445719 2.9011394 19 Al 2.9011394 -0.0445719 0.0445719 -0.0273113 2.8931796 -0.1061845 0.0273113 -0.1061845 2.8931796 20 Al 2.8931796 0.0273113 0.1061845 0.0445719 2.9011394 0.0445719 0.1061845 0.0273113 2.8931796 21 Li 1.0612710 -0.0379028 -0.0379028 -0.0379028 1.0612710 0.0379028 -0.0379028 0.0379028 1.0612710 22 Li 1.0612710 -0.0379028 0.0379028 -0.0379028 1.0612710 -0.0379028 0.0379028 -0.0379028 1.0612710 23 Li 1.0612710 0.0379028 0.0379028 0.0379028 1.0612710 0.0379028 0.0379028 0.0379028 1.0612710 24 Li 1.0612710 0.0379028 -0.0379028 0.0379028 1.0612710 -0.0379028 -0.0379028 -0.0379028 1.0612710 25 O -1.9583823 0.0923957 -0.0976238 0.0976238 -1.9583823 0.0923957 -0.0923957 0.0976238 -1.9583823 26 O -2.0161954 -0.1306506 0.1542207 -0.1198927 -2.0556283 0.1856602 0.1374732 0.1743892 -1.6532346 27 O -1.9583823 -0.0976238 -0.0923957 -0.0923957 -1.9583823 -0.0976238 -0.0976238 -0.0923957 -1.9583823 28 O -2.0161954 0.1542207 0.1306506 0.1374732 -1.6532346 -0.1743892 0.1198927 -0.1856602 -2.0556283 29 O -1.6532346 -0.1374732 -0.1743892 -0.1542207 -2.0161954 -0.1306506 -0.1856602 -0.1198927 -2.0556283 30 O -2.0556283 0.1856602 0.1198927 0.1743892 -1.6532346 -0.1374732 0.1306506 -0.1542207 -2.0161954 31 O -1.9583823 -0.0923957 0.0976238 -0.0976238 -1.9583823 0.0923957 0.0923957 0.0976238 -1.9583823 32 O -2.0556283 -0.1856602 0.1198927 -0.1743892 -1.6532346 0.1374732 0.1306506 0.1542207 -2.0161954 33 O -2.0161954 0.1306506 -0.1542207 0.1198927 -2.0556283 0.1856602 -0.1374732 0.1743892 -1.6532346 34 O -1.6532346 -0.1743892 0.1374732 -0.1856602 -2.0556283 0.1198927 0.1542207 0.1306506 -2.0161954 35 O -1.6532346 0.1374732 -0.1743892 0.1542207 -2.0161954 0.1306506 -0.1856602 0.1198927 -2.0556283 36 O -2.0556283 0.1198927 -0.1856602 0.1306506 -2.0161954 0.1542207 -0.1743892 0.1374732 -1.6532346 37 O -1.9583823 0.0976238 0.0923957 0.0923957 -1.9583823 -0.0976238 0.0976238 -0.0923957 -1.9583823 38 O -2.0556283 0.1198927 0.1856602 0.1306506 -2.0161954 -0.1542207 0.1743892 -0.1374732 -1.6532346 39 O -2.0161954 -0.1542207 -0.1306506 -0.1374732 -1.6532346 -0.1743892 -0.1198927 -0.1856602 -2.0556283 40 O -1.6532346 0.1374732 0.1743892 0.1542207 -2.0161954 -0.1306506 0.1856602 -0.1198927 -2.0556283 41 O -1.6532346 -0.1743892 -0.1374732 -0.1856602 -2.0556283 -0.1198927 -0.1542207 -0.1306506 -2.0161954 42 O -2.0161954 0.1306506 0.1542207 0.1198927 -2.0556283 -0.1856602 0.1374732 -0.1743892 -1.6532346 43 O -2.0556283 -0.1856602 -0.1198927 -0.1743892 -1.6532346 -0.1374732 -0.1306506 -0.1542207 -2.0161954 44 O -1.9583823 -0.0923957 -0.0976238 -0.0976238 -1.9583823 -0.0923957 -0.0923957 -0.0976238 -1.9583823 45 O -2.0556283 0.1856602 -0.1198927 0.1743892 -1.6532346 0.1374732 -0.1306506 0.1542207 -2.0161954 46 O -1.6532346 0.1743892 -0.1374732 0.1856602 -2.0556283 0.1198927 -0.1542207 0.1306506 -2.0161954 47 O -1.6532346 -0.1374732 0.1743892 -0.1542207 -2.0161954 0.1306506 0.1856602 0.1198927 -2.0556283 48 O -2.0161954 0.1542207 -0.1306506 0.1374732 -1.6532346 0.1743892 -0.1198927 0.1856602 -2.0556283 49 O -2.0556283 -0.1198927 0.1856602 -0.1306506 -2.0161954 0.1542207 0.1743892 0.1374732 -1.6532346 50 O -1.9583823 -0.0976238 0.0923957 -0.0923957 -1.9583823 0.0976238 0.0976238 0.0923957 -1.9583823 51 O -2.0556283 -0.1198927 -0.1856602 -0.1306506 -2.0161954 -0.1542207 -0.1743892 -0.1374732 -1.6532346 52 O -1.6532346 0.1743892 0.1374732 0.1856602 -2.0556283 -0.1198927 0.1542207 -0.1306506 -2.0161954 53 O -2.0161954 -0.1306506 -0.1542207 -0.1198927 -2.0556283 -0.1856602 -0.1374732 -0.1743892 -1.6532346 54 O -1.9583823 0.0923957 0.0976238 0.0976238 -1.9583823 -0.0923957 0.0923957 -0.0976238 -1.9583823 55 O -2.0161954 -0.1542207 0.1306506 -0.1374732 -1.6532346 0.1743892 0.1198927 0.1856602 -2.0556283 56 O -1.9583823 0.0976238 -0.0923957 0.0923957 -1.9583823 0.0976238 -0.0976238 0.0923957 -1.9583823 ---------------------------------------------------------------------------- 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] 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] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] Computing fc3[ 26, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyz) -0.00000000 (xyz) -0.00000000 (xzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:51:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:51:37]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_332 (212) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.921557630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.921557630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.921557630000000 Atomic positions (fractional): 1 Al 0.99770230784072 0.99770230784072 0.99770230784072 26.982 2 Al 0.00229769215928 0.49770230784072 0.50229769215928 26.982 3 Al 0.11877816821609 0.62500000000000 0.13122183178391 26.982 4 Al 0.12500000000000 0.36877816821609 0.88122183178391 26.982 5 Al 0.13122183178391 0.11877816821609 0.62500000000000 26.982 6 Al 0.24770230784072 0.74770230784072 0.75229769215928 26.982 7 Al 0.25229769215928 0.25229769215928 0.25229769215928 26.982 8 Al 0.36877816821609 0.88122183178391 0.12500000000000 26.982 9 Al 0.37500000000000 0.63122183178391 0.38122183178391 26.982 10 Al 0.38122183178391 0.37500000000000 0.63122183178391 26.982 11 Al 0.49770230784072 0.50229769215928 0.00229769215928 26.982 12 Al 0.50229769215928 0.00229769215928 0.49770230784072 26.982 13 Al 0.61877816821609 0.87500000000000 0.86877816821609 26.982 14 Al 0.62500000000000 0.13122183178391 0.11877816821609 26.982 15 Al 0.63122183178391 0.38122183178391 0.37500000000000 26.982 16 Al 0.74770230784072 0.75229769215928 0.24770230784072 26.982 17 Al 0.75229769215928 0.24770230784072 0.74770230784072 26.982 18 Al 0.86877816821609 0.61877816821609 0.87500000000000 26.982 19 Al 0.87500000000000 0.86877816821609 0.61877816821609 26.982 20 Al 0.88122183178391 0.12500000000000 0.36877816821609 26.982 21 Li 0.12500000000000 0.87500000000000 0.37500000000000 6.941 22 Li 0.37500000000000 0.12500000000000 0.87500000000000 6.941 23 Li 0.62500000000000 0.62500000000000 0.62500000000000 6.941 24 Li 0.87500000000000 0.37500000000000 0.12500000000000 6.941 25 O 0.61451828726175 0.88548171273825 0.11451828726175 15.999 26 O 0.61520924144488 0.61505773855825 0.36777592078646 15.999 27 O 0.86451828726175 0.86451828726175 0.86451828726175 15.999 28 O 0.86520924144488 0.11777592078646 0.13494226144175 15.999 29 O 0.86777592078646 0.88479075855512 0.38494226144175 15.999 30 O 0.88494226144175 0.63222407921354 0.11520924144488 15.999 31 O 0.11451828726175 0.61451828726175 0.88548171273825 15.999 32 O 0.11505773855825 0.13222407921354 0.38479075855512 15.999 33 O 0.11520924144488 0.88494226144175 0.63222407921354 15.999 34 O 0.11777592078646 0.13494226144175 0.86520924144488 15.999 35 O 0.13222407921354 0.38479075855512 0.11505773855825 15.999 36 O 0.13494226144175 0.86520924144488 0.11777592078646 15.999 37 O 0.36451828726175 0.63548171273825 0.13548171273825 15.999 38 O 0.36505773855825 0.13479075855512 0.61777592078646 15.999 39 O 0.36520924144488 0.38222407921354 0.86505773855825 15.999 40 O 0.36777592078646 0.61520924144488 0.61505773855825 15.999 41 O 0.38222407921354 0.86505773855825 0.36520924144488 15.999 42 O 0.38479075855512 0.11505773855825 0.13222407921354 15.999 43 O 0.38494226144175 0.86777592078646 0.88479075855512 15.999 44 O 0.38548171273825 0.38548171273825 0.38548171273825 15.999 45 O 0.61505773855825 0.36777592078646 0.61520924144488 15.999 46 O 0.61777592078646 0.36505773855825 0.13479075855512 15.999 47 O 0.63222407921354 0.11520924144488 0.88494226144175 15.999 48 O 0.63479075855512 0.88222407921354 0.63494226144175 15.999 49 O 0.63494226144175 0.63479075855512 0.88222407921354 15.999 50 O 0.63548171273825 0.13548171273825 0.36451828726175 15.999 51 O 0.86505773855825 0.36520924144488 0.38222407921354 15.999 52 O 0.88222407921354 0.63494226144175 0.63479075855512 15.999 53 O 0.88479075855512 0.38494226144175 0.86777592078646 15.999 54 O 0.88548171273825 0.11451828726175 0.61451828726175 15.999 55 O 0.13479075855512 0.61777592078646 0.36505773855825 15.999 56 O 0.13548171273825 0.36451828726175 0.63548171273825 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.921557630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.921557630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.921557630000000 Atomic positions (fractional): 1 Al 0.99770230784072 0.99770230784072 0.99770230784072 26.982 > 1 2 Al 0.00229769215928 0.49770230784072 0.50229769215928 26.982 > 2 3 Al 0.11877816821609 0.62500000000000 0.13122183178391 26.982 > 3 4 Al 0.12500000000000 0.36877816821609 0.88122183178391 26.982 > 4 5 Al 0.13122183178391 0.11877816821609 0.62500000000000 26.982 > 5 6 Al 0.24770230784072 0.74770230784072 0.75229769215928 26.982 > 6 7 Al 0.25229769215928 0.25229769215928 0.25229769215928 26.982 > 7 8 Al 0.36877816821609 0.88122183178391 0.12500000000000 26.982 > 8 9 Al 0.37500000000000 0.63122183178391 0.38122183178391 26.982 > 9 10 Al 0.38122183178391 0.37500000000000 0.63122183178391 26.982 > 10 11 Al 0.49770230784072 0.50229769215928 0.00229769215928 26.982 > 11 12 Al 0.50229769215928 0.00229769215928 0.49770230784072 26.982 > 12 13 Al 0.61877816821609 0.87500000000000 0.86877816821609 26.982 > 13 14 Al 0.62500000000000 0.13122183178391 0.11877816821609 26.982 > 14 15 Al 0.63122183178391 0.38122183178391 0.37500000000000 26.982 > 15 16 Al 0.74770230784072 0.75229769215928 0.24770230784072 26.982 > 16 17 Al 0.75229769215928 0.24770230784072 0.74770230784072 26.982 > 17 18 Al 0.86877816821609 0.61877816821609 0.87500000000000 26.982 > 18 19 Al 0.87500000000000 0.86877816821609 0.61877816821609 26.982 > 19 20 Al 0.88122183178391 0.12500000000000 0.36877816821609 26.982 > 20 21 Li 0.12500000000000 0.87500000000000 0.37500000000000 6.941 > 21 22 Li 0.37500000000000 0.12500000000000 0.87500000000000 6.941 > 22 23 Li 0.62500000000000 0.62500000000000 0.62500000000000 6.941 > 23 24 Li 0.87500000000000 0.37500000000000 0.12500000000000 6.941 > 24 25 O 0.61451828726175 0.88548171273825 0.11451828726175 15.999 > 25 26 O 0.61520924144488 0.61505773855825 0.36777592078646 15.999 > 26 27 O 0.86451828726175 0.86451828726175 0.86451828726175 15.999 > 27 28 O 0.86520924144488 0.11777592078646 0.13494226144175 15.999 > 28 29 O 0.86777592078646 0.88479075855512 0.38494226144175 15.999 > 29 30 O 0.88494226144175 0.63222407921354 0.11520924144488 15.999 > 30 31 O 0.11451828726175 0.61451828726175 0.88548171273825 15.999 > 31 32 O 0.11505773855825 0.13222407921354 0.38479075855512 15.999 > 32 33 O 0.11520924144488 0.88494226144175 0.63222407921354 15.999 > 33 34 O 0.11777592078646 0.13494226144175 0.86520924144488 15.999 > 34 35 O 0.13222407921354 0.38479075855512 0.11505773855825 15.999 > 35 36 O 0.13494226144175 0.86520924144488 0.11777592078646 15.999 > 36 37 O 0.36451828726175 0.63548171273825 0.13548171273825 15.999 > 37 38 O 0.36505773855825 0.13479075855512 0.61777592078646 15.999 > 38 39 O 0.36520924144488 0.38222407921354 0.86505773855825 15.999 > 39 40 O 0.36777592078646 0.61520924144488 0.61505773855825 15.999 > 40 41 O 0.38222407921354 0.86505773855825 0.36520924144488 15.999 > 41 42 O 0.38479075855512 0.11505773855825 0.13222407921354 15.999 > 42 43 O 0.38494226144175 0.86777592078646 0.88479075855512 15.999 > 43 44 O 0.38548171273825 0.38548171273825 0.38548171273825 15.999 > 44 45 O 0.61505773855825 0.36777592078646 0.61520924144488 15.999 > 45 46 O 0.61777592078646 0.36505773855825 0.13479075855512 15.999 > 46 47 O 0.63222407921354 0.11520924144488 0.88494226144175 15.999 > 47 48 O 0.63479075855512 0.88222407921354 0.63494226144175 15.999 > 48 49 O 0.63494226144175 0.63479075855512 0.88222407921354 15.999 > 49 50 O 0.63548171273825 0.13548171273825 0.36451828726175 15.999 > 50 51 O 0.86505773855825 0.36520924144488 0.38222407921354 15.999 > 51 52 O 0.88222407921354 0.63494226144175 0.63479075855512 15.999 > 52 53 O 0.88479075855512 0.38494226144175 0.86777592078646 15.999 > 53 54 O 0.88548171273825 0.11451828726175 0.61451828726175 15.999 > 54 55 O 0.13479075855512 0.61777592078646 0.36505773855825 15.999 > 55 56 O 0.13548171273825 0.36451828726175 0.63548171273825 15.999 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1769383 0.0000000 0.0000000 0.0000000 3.1769383 0.0000000 0.0000000 0.0000000 3.1769383 -------------------------- Born effective charges -------------------------- 1 Al 2.8090558 -0.0537863 0.0166099 0.0166099 2.8090558 -0.0537863 -0.0537863 0.0166099 2.8090558 2 Al 2.8090558 0.0537863 0.0166099 -0.0166099 2.8090558 0.0537863 -0.0537863 -0.0166099 2.8090558 3 Al 2.8931796 -0.0273113 0.1061845 -0.0445719 2.9011394 -0.0445719 0.1061845 -0.0273113 2.8931796 4 Al 2.9011394 0.0445719 0.0445719 0.0273113 2.8931796 0.1061845 0.0273113 0.1061845 2.8931796 5 Al 2.8931796 0.1061845 -0.0273113 0.1061845 2.8931796 -0.0273113 -0.0445719 -0.0445719 2.9011394 6 Al 2.8090558 0.0166099 0.0537863 -0.0537863 2.8090558 -0.0166099 -0.0166099 0.0537863 2.8090558 7 Al 2.8090558 0.0166099 -0.0537863 -0.0537863 2.8090558 0.0166099 0.0166099 -0.0537863 2.8090558 8 Al 2.8931796 0.1061845 0.0273113 0.1061845 2.8931796 0.0273113 0.0445719 0.0445719 2.9011394 9 Al 2.9011394 0.0445719 -0.0445719 0.0273113 2.8931796 -0.1061845 -0.0273113 -0.1061845 2.8931796 10 Al 2.8931796 -0.0273113 -0.1061845 -0.0445719 2.9011394 0.0445719 -0.1061845 0.0273113 2.8931796 11 Al 2.8090558 0.0537863 -0.0166099 -0.0166099 2.8090558 -0.0537863 0.0537863 0.0166099 2.8090558 12 Al 2.8090558 -0.0537863 -0.0166099 0.0166099 2.8090558 0.0537863 0.0537863 -0.0166099 2.8090558 13 Al 2.8931796 0.0273113 -0.1061845 0.0445719 2.9011394 -0.0445719 -0.1061845 -0.0273113 2.8931796 14 Al 2.9011394 -0.0445719 -0.0445719 -0.0273113 2.8931796 0.1061845 -0.0273113 0.1061845 2.8931796 15 Al 2.8931796 -0.1061845 0.0273113 -0.1061845 2.8931796 -0.0273113 0.0445719 -0.0445719 2.9011394 16 Al 2.8090558 -0.0166099 -0.0537863 0.0537863 2.8090558 -0.0166099 0.0166099 0.0537863 2.8090558 17 Al 2.8090558 -0.0166099 0.0537863 0.0537863 2.8090558 0.0166099 -0.0166099 -0.0537863 2.8090558 18 Al 2.8931796 -0.1061845 -0.0273113 -0.1061845 2.8931796 0.0273113 -0.0445719 0.0445719 2.9011394 19 Al 2.9011394 -0.0445719 0.0445719 -0.0273113 2.8931796 -0.1061845 0.0273113 -0.1061845 2.8931796 20 Al 2.8931796 0.0273113 0.1061845 0.0445719 2.9011394 0.0445719 0.1061845 0.0273113 2.8931796 21 Li 1.0612710 -0.0379028 -0.0379028 -0.0379028 1.0612710 0.0379028 -0.0379028 0.0379028 1.0612710 22 Li 1.0612710 -0.0379028 0.0379028 -0.0379028 1.0612710 -0.0379028 0.0379028 -0.0379028 1.0612710 23 Li 1.0612710 0.0379028 0.0379028 0.0379028 1.0612710 0.0379028 0.0379028 0.0379028 1.0612710 24 Li 1.0612710 0.0379028 -0.0379028 0.0379028 1.0612710 -0.0379028 -0.0379028 -0.0379028 1.0612710 25 O -1.9583823 0.0923957 -0.0976238 0.0976238 -1.9583823 0.0923957 -0.0923957 0.0976238 -1.9583823 26 O -2.0161954 -0.1306506 0.1542207 -0.1198927 -2.0556283 0.1856602 0.1374732 0.1743892 -1.6532346 27 O -1.9583823 -0.0976238 -0.0923957 -0.0923957 -1.9583823 -0.0976238 -0.0976238 -0.0923957 -1.9583823 28 O -2.0161954 0.1542207 0.1306506 0.1374732 -1.6532346 -0.1743892 0.1198927 -0.1856602 -2.0556283 29 O -1.6532346 -0.1374732 -0.1743892 -0.1542207 -2.0161954 -0.1306506 -0.1856602 -0.1198927 -2.0556283 30 O -2.0556283 0.1856602 0.1198927 0.1743892 -1.6532346 -0.1374732 0.1306506 -0.1542207 -2.0161954 31 O -1.9583823 -0.0923957 0.0976238 -0.0976238 -1.9583823 0.0923957 0.0923957 0.0976238 -1.9583823 32 O -2.0556283 -0.1856602 0.1198927 -0.1743892 -1.6532346 0.1374732 0.1306506 0.1542207 -2.0161954 33 O -2.0161954 0.1306506 -0.1542207 0.1198927 -2.0556283 0.1856602 -0.1374732 0.1743892 -1.6532346 34 O -1.6532346 -0.1743892 0.1374732 -0.1856602 -2.0556283 0.1198927 0.1542207 0.1306506 -2.0161954 35 O -1.6532346 0.1374732 -0.1743892 0.1542207 -2.0161954 0.1306506 -0.1856602 0.1198927 -2.0556283 36 O -2.0556283 0.1198927 -0.1856602 0.1306506 -2.0161954 0.1542207 -0.1743892 0.1374732 -1.6532346 37 O -1.9583823 0.0976238 0.0923957 0.0923957 -1.9583823 -0.0976238 0.0976238 -0.0923957 -1.9583823 38 O -2.0556283 0.1198927 0.1856602 0.1306506 -2.0161954 -0.1542207 0.1743892 -0.1374732 -1.6532346 39 O -2.0161954 -0.1542207 -0.1306506 -0.1374732 -1.6532346 -0.1743892 -0.1198927 -0.1856602 -2.0556283 40 O -1.6532346 0.1374732 0.1743892 0.1542207 -2.0161954 -0.1306506 0.1856602 -0.1198927 -2.0556283 41 O -1.6532346 -0.1743892 -0.1374732 -0.1856602 -2.0556283 -0.1198927 -0.1542207 -0.1306506 -2.0161954 42 O -2.0161954 0.1306506 0.1542207 0.1198927 -2.0556283 -0.1856602 0.1374732 -0.1743892 -1.6532346 43 O -2.0556283 -0.1856602 -0.1198927 -0.1743892 -1.6532346 -0.1374732 -0.1306506 -0.1542207 -2.0161954 44 O -1.9583823 -0.0923957 -0.0976238 -0.0976238 -1.9583823 -0.0923957 -0.0923957 -0.0976238 -1.9583823 45 O -2.0556283 0.1856602 -0.1198927 0.1743892 -1.6532346 0.1374732 -0.1306506 0.1542207 -2.0161954 46 O -1.6532346 0.1743892 -0.1374732 0.1856602 -2.0556283 0.1198927 -0.1542207 0.1306506 -2.0161954 47 O -1.6532346 -0.1374732 0.1743892 -0.1542207 -2.0161954 0.1306506 0.1856602 0.1198927 -2.0556283 48 O -2.0161954 0.1542207 -0.1306506 0.1374732 -1.6532346 0.1743892 -0.1198927 0.1856602 -2.0556283 49 O -2.0556283 -0.1198927 0.1856602 -0.1306506 -2.0161954 0.1542207 0.1743892 0.1374732 -1.6532346 50 O -1.9583823 -0.0976238 0.0923957 -0.0923957 -1.9583823 0.0976238 0.0976238 0.0923957 -1.9583823 51 O -2.0556283 -0.1198927 -0.1856602 -0.1306506 -2.0161954 -0.1542207 -0.1743892 -0.1374732 -1.6532346 52 O -1.6532346 0.1743892 0.1374732 0.1856602 -2.0556283 -0.1198927 0.1542207 -0.1306506 -2.0161954 53 O -2.0161954 -0.1306506 -0.1542207 -0.1198927 -2.0556283 -0.1856602 -0.1374732 -0.1743892 -1.6532346 54 O -1.9583823 0.0923957 0.0976238 0.0976238 -1.9583823 -0.0923957 0.0923957 -0.0976238 -1.9583823 55 O -2.0161954 -0.1542207 0.1306506 -0.1374732 -1.6532346 0.1743892 0.1198927 0.1856602 -2.0556283 56 O -1.9583823 0.0976238 -0.0923957 0.0923957 -1.9583823 0.0976238 -0.0976238 0.0923957 -1.9583823 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyz) -0.00000000 (xyz) -0.00000000 (xzy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 6 ] 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: 0.52, Number of G-points: 305, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/20) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 20 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 6.270 ( -0.000 0.000 -0.000) 0.000 6.638 ( -0.000 0.000 0.000) 0.000 6.638 ( -0.000 0.000 -0.000) 0.000 6.714 ( 0.000 0.000 0.000) 0.000 6.714 ( -0.000 0.000 0.000) 0.000 6.714 ( 0.000 0.000 -0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 6.798 ( 0.000 -0.000 0.000) 0.000 7.148 ( -0.000 0.000 0.000) 0.000 7.148 ( 0.000 0.000 0.000) 0.000 7.425 ( 0.000 0.000 -0.000) 0.000 7.885 ( 0.000 -0.000 0.000) 0.000 7.885 ( 0.000 -0.000 0.000) 0.000 7.885 ( 0.000 0.000 -0.000) 0.000 8.016 ( -0.000 -0.000 -0.000) 0.000 8.016 ( -0.000 0.000 -0.000) 0.000 8.273 ( -0.000 0.000 0.000) 0.000 8.273 ( 0.000 -0.000 0.000) 0.000 8.273 ( 0.000 -0.000 0.000) 0.000 8.582 ( -0.000 0.000 0.000) 0.000 8.582 ( 0.000 -0.000 0.000) 0.000 8.582 ( 0.000 -0.000 0.000) 0.000 9.315 ( -0.000 0.000 0.000) 0.000 9.315 ( 0.000 0.000 -0.000) 0.000 9.315 ( 0.000 0.000 0.000) 0.000 9.396 ( 0.000 -0.000 -0.000) 0.000 9.640 ( 0.000 -0.000 0.000) 0.000 9.640 ( 0.000 0.000 -0.000) 0.000 9.640 ( 0.000 0.000 0.000) 0.000 9.658 ( -0.000 -0.000 -0.000) 0.000 9.658 ( -0.000 0.000 -0.000) 0.000 9.658 ( 0.000 0.000 0.000) 0.000 10.103 ( 0.000 0.000 -0.000) 0.000 10.103 ( 0.000 -0.000 0.000) 0.000 10.103 ( 0.000 -0.000 -0.000) 0.000 10.321 ( -0.000 -0.000 -0.000) 0.000 10.321 ( 0.000 0.000 0.000) 0.000 10.321 ( -0.000 0.000 -0.000) 0.000 10.554 ( 0.000 0.000 0.000) 0.000 10.554 ( 0.000 0.000 -0.000) 0.000 10.554 ( -0.000 0.000 -0.000) 0.000 10.622 ( 0.000 0.000 -0.000) 0.000 10.622 ( 0.000 0.000 -0.000) 0.000 10.716 ( -0.000 -0.000 -0.000) 0.000 10.716 ( 0.000 0.000 0.000) 0.000 10.716 ( 0.000 0.000 0.000) 0.000 10.804 ( 0.000 0.000 0.000) 0.000 10.804 ( 0.000 -0.000 0.000) 0.000 10.953 ( 0.000 -0.000 0.000) 0.000 11.151 ( 0.000 0.000 -0.000) 0.000 11.151 ( -0.000 0.000 0.000) 0.000 11.151 ( 0.000 0.000 0.000) 0.000 11.380 ( 0.000 0.000 -0.000) 0.000 11.380 ( 0.000 -0.000 0.000) 0.000 11.380 ( -0.000 0.000 -0.000) 0.000 11.655 ( 0.000 -0.000 0.000) 0.000 11.655 ( 0.000 -0.000 -0.000) 0.000 11.655 ( -0.000 0.000 -0.000) 0.000 11.693 ( 0.000 0.000 -0.000) 0.000 11.776 ( 0.000 -0.000 -0.000) 0.000 11.776 ( 0.000 -0.000 0.000) 0.000 11.782 ( 0.000 -0.000 0.000) 0.000 11.782 ( 0.000 -0.000 0.000) 0.000 11.782 ( -0.000 0.000 0.000) 0.000 12.127 ( -0.000 0.000 0.000) 0.000 12.127 ( -0.000 0.000 0.000) 0.000 12.127 ( -0.000 -0.000 0.000) 0.000 12.334 ( 0.000 0.000 0.000) 0.000 12.334 ( 0.000 0.000 0.000) 0.000 12.798 ( -0.000 0.000 -0.000) 0.000 12.798 ( 0.000 -0.000 0.000) 0.000 12.798 ( 0.000 -0.000 0.000) 0.000 13.590 ( 0.000 0.000 0.000) 0.000 13.590 ( 0.000 0.000 0.000) 0.000 13.590 ( -0.000 0.000 -0.000) 0.000 13.860 ( 0.000 0.000 -0.000) 0.000 13.860 ( 0.000 -0.000 -0.000) 0.000 14.081 ( 0.000 0.000 -0.000) 0.000 14.081 ( -0.000 0.000 -0.000) 0.000 14.081 ( 0.000 -0.000 -0.000) 0.000 14.264 ( 0.000 0.000 -0.000) 0.000 14.570 ( -0.000 0.000 -0.000) 0.000 14.570 ( 0.000 -0.000 -0.000) 0.000 14.570 ( 0.000 0.000 0.000) 0.000 14.786 ( 0.000 -0.000 -0.000) 0.000 14.786 ( 0.000 0.000 0.000) 0.000 14.906 ( -0.000 -0.000 0.000) 0.000 14.906 ( -0.000 0.000 0.000) 0.000 14.906 ( -0.000 0.000 0.000) 0.000 15.432 ( 0.000 0.000 0.000) 0.000 15.432 ( 0.000 0.000 0.000) 0.000 15.452 ( -0.000 0.000 0.000) 0.000 15.452 ( 0.000 -0.000 0.000) 0.000 15.452 ( 0.000 0.000 0.000) 0.000 15.499 ( 0.000 0.000 -0.000) 0.000 15.652 ( 0.000 0.000 -0.000) 0.000 15.652 ( 0.000 -0.000 0.000) 0.000 15.652 ( -0.000 0.000 0.000) 0.000 15.970 ( -0.000 0.000 0.000) 0.000 15.970 ( 0.000 -0.000 0.000) 0.000 15.970 ( -0.000 0.000 0.000) 0.000 16.294 ( 0.000 0.000 0.000) 0.000 16.294 ( 0.000 -0.000 -0.000) 0.000 16.294 ( 0.000 0.000 0.000) 0.000 16.523 ( -0.000 0.000 -0.000) 0.000 16.696 ( -0.000 -0.000 0.000) 0.000 16.696 ( 0.000 0.000 0.000) 0.000 16.696 ( -0.000 0.000 -0.000) 0.000 16.920 ( 0.000 -0.000 0.000) 0.000 16.920 ( 0.000 0.000 0.000) 0.000 16.920 ( 0.000 0.000 0.000) 0.000 17.710 ( 0.000 0.000 -0.000) 0.000 17.710 ( -0.000 0.000 0.000) 0.000 17.922 ( -0.000 0.000 0.000) 0.000 17.922 ( 0.000 -0.000 0.000) 0.000 17.922 ( 0.000 0.000 -0.000) 0.000 18.194 ( 0.000 -0.000 -0.000) 0.000 18.194 ( 0.000 0.000 0.000) 0.000 18.194 ( 0.000 0.000 -0.000) 0.000 18.707 ( -0.000 0.000 0.000) 0.000 18.809 ( 0.000 0.000 0.000) 0.000 18.937 ( 0.000 0.000 -0.000) 0.000 18.937 ( 0.000 0.000 0.000) 0.000 18.937 ( 0.000 0.000 0.000) 0.000 19.008 ( -0.000 -0.000 0.000) 0.000 19.008 ( 0.000 -0.000 0.000) 0.000 19.008 ( 0.000 -0.000 0.000) 0.000 19.165 ( 0.000 0.000 0.000) 0.000 19.308 ( -0.000 -0.000 0.000) 0.000 19.308 ( -0.000 0.000 0.000) 0.000 19.308 ( 0.000 -0.000 0.000) 0.000 19.533 ( -0.000 0.000 0.000) 0.000 19.533 ( 0.000 0.000 -0.000) 0.000 19.909 ( -0.000 0.000 -0.000) 0.000 19.909 ( 0.000 0.000 0.000) 0.000 19.909 ( 0.000 0.000 0.000) 0.000 20.130 ( 0.000 -0.000 0.000) 0.000 20.556 ( 0.000 0.000 0.000) 0.000 20.556 ( 0.000 -0.000 0.000) 0.000 20.556 ( -0.000 0.000 0.000) 0.000 21.524 ( 0.000 0.000 0.000) 0.000 21.524 ( -0.000 0.000 0.000) 0.000 21.524 ( 0.000 0.000 0.000) 0.000 21.586 ( 0.000 0.000 -0.000) 0.000 21.586 ( 0.000 0.000 0.000) 0.000 21.945 ( 0.000 0.000 0.000) 0.000 21.945 ( -0.000 0.000 0.000) 0.000 21.945 ( 0.000 0.000 -0.000) 0.000 22.118 ( -0.000 0.000 0.000) 0.000 22.118 ( 0.000 -0.000 -0.000) 0.000 22.562 ( -0.000 0.000 -0.000) 0.000 22.562 ( 0.000 0.000 0.000) 0.000 22.562 ( 0.000 -0.000 0.000) 0.000 22.789 ( -0.000 0.000 0.000) 0.000 22.789 ( 0.000 0.000 -0.000) 0.000 22.789 ( 0.000 -0.000 0.000) 0.000 23.093 ( 0.000 0.000 -0.000) 0.000 23.647 ( -0.000 -0.000 -0.000) 0.000 24.861 ( 0.000 0.000 0.000) 0.000 24.861 ( -0.000 0.000 -0.000) 0.000 24.861 ( -0.000 0.000 -0.000) 0.000 25.497 ( 0.000 -0.000 0.000) 0.000 25.497 ( 0.000 -0.000 0.000) 0.000 25.497 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/20) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 64.279 0.000 0.000) 64.279 1.429 ( 63.036 0.000 0.000) 63.036 1.895 ( 89.913 0.000 0.000) 89.913 5.961 ( -33.548 0.000 0.000) 33.548 5.999 ( -39.370 0.000 0.000) 39.370 6.469 ( -9.408 0.000 0.000) 9.408 6.553 ( -5.385 0.000 0.000) 5.385 6.644 ( -6.100 0.000 0.000) 6.100 6.730 ( 5.611 0.000 0.000) 5.611 6.886 ( 2.901 0.000 0.000) 2.901 6.951 ( 2.519 0.000 0.000) 2.519 7.027 ( 16.209 0.000 0.000) 16.209 7.172 ( 0.765 0.000 0.000) 0.765 7.417 ( -1.637 0.000 0.000) 1.637 7.437 ( 14.066 0.000 0.000) 14.066 7.627 ( -14.122 0.000 0.000) 14.122 7.776 ( -8.112 0.000 0.000) 8.112 7.914 ( -11.185 0.000 0.000) 11.185 7.957 ( -1.448 0.000 0.000) 1.448 8.063 ( -8.951 0.000 0.000) 8.951 8.152 ( 8.741 0.000 0.000) 8.741 8.332 ( -2.693 0.000 0.000) 2.693 8.431 ( -2.909 0.000 0.000) 2.909 8.434 ( -8.296 0.000 0.000) 8.296 8.449 ( 12.019 0.000 0.000) 12.019 8.665 ( -18.847 0.000 0.000) 18.847 8.965 ( -29.631 0.000 0.000) 29.631 9.051 ( -16.574 0.000 0.000) 16.574 9.106 ( -16.874 0.000 0.000) 16.874 9.146 ( -26.423 0.000 0.000) 26.423 9.349 ( -7.513 0.000 0.000) 7.513 9.368 ( -13.290 0.000 0.000) 13.290 9.615 ( -1.027 0.000 0.000) 1.027 9.673 ( -13.547 0.000 0.000) 13.547 9.787 ( 1.570 0.000 0.000) 1.570 9.804 ( -3.853 0.000 0.000) 3.853 9.948 ( -12.033 0.000 0.000) 12.033 9.966 ( -4.439 0.000 0.000) 4.439 10.017 ( -7.161 0.000 0.000) 7.161 10.080 ( 18.012 0.000 0.000) 18.012 10.281 ( -2.526 0.000 0.000) 2.526 10.383 ( -18.208 0.000 0.000) 18.208 10.412 ( 0.891 0.000 0.000) 0.891 10.423 ( -10.275 0.000 0.000) 10.275 10.582 ( 1.310 0.000 0.000) 1.310 10.620 ( -0.751 0.000 0.000) 0.751 10.639 ( 6.857 0.000 0.000) 6.857 10.687 ( -1.625 0.000 0.000) 1.625 10.771 ( -8.007 0.000 0.000) 8.007 10.872 ( -4.499 0.000 0.000) 4.499 10.942 ( -4.697 0.000 0.000) 4.697 10.953 ( 5.702 0.000 0.000) 5.702 10.967 ( 2.813 0.000 0.000) 2.813 11.026 ( 8.690 0.000 0.000) 8.690 11.130 ( 9.789 0.000 0.000) 9.789 11.179 ( 18.876 0.000 0.000) 18.876 11.492 ( 14.067 0.000 0.000) 14.067 11.544 ( 2.536 0.000 0.000) 2.536 11.636 ( -3.521 0.000 0.000) 3.521 11.654 ( 0.551 0.000 0.000) 0.551 11.666 ( 9.313 0.000 0.000) 9.313 11.765 ( 1.222 0.000 0.000) 1.222 11.774 ( -3.171 0.000 0.000) 3.171 11.825 ( 0.731 0.000 0.000) 0.731 11.833 ( 3.209 0.000 0.000) 3.209 11.842 ( 8.916 0.000 0.000) 8.916 11.858 ( 1.024 0.000 0.000) 1.024 12.086 ( 15.484 0.000 0.000) 15.484 12.104 ( 3.183 0.000 0.000) 3.183 12.128 ( 15.368 0.000 0.000) 15.368 12.384 ( 13.949 0.000 0.000) 13.949 12.518 ( 10.675 0.000 0.000) 10.675 12.752 ( 32.261 0.000 0.000) 32.261 12.900 ( 8.821 0.000 0.000) 8.821 12.997 ( 13.042 0.000 0.000) 13.042 13.054 ( -1.458 0.000 0.000) 1.458 13.460 ( -10.384 0.000 0.000) 10.384 13.517 ( -8.650 0.000 0.000) 8.650 13.750 ( 15.844 0.000 0.000) 15.844 13.890 ( 0.731 0.000 0.000) 0.731 13.927 ( 1.713 0.000 0.000) 1.713 14.089 ( 2.848 0.000 0.000) 2.848 14.185 ( 3.460 0.000 0.000) 3.460 14.202 ( -8.870 0.000 0.000) 8.870 14.382 ( -8.140 0.000 0.000) 8.140 14.406 ( -1.330 0.000 0.000) 1.330 14.567 ( -6.210 0.000 0.000) 6.210 14.687 ( 0.971 0.000 0.000) 0.971 14.750 ( 2.794 0.000 0.000) 2.794 14.770 ( 9.614 0.000 0.000) 9.614 14.950 ( 11.087 0.000 0.000) 11.087 15.166 ( -17.567 0.000 0.000) 17.567 15.201 ( 11.925 0.000 0.000) 11.925 15.215 ( 10.896 0.000 0.000) 10.896 15.298 ( -12.150 0.000 0.000) 12.150 15.329 ( -8.787 0.000 0.000) 8.787 15.387 ( -3.401 0.000 0.000) 3.401 15.416 ( 0.583 0.000 0.000) 0.583 15.637 ( -0.424 0.000 0.000) 0.424 15.715 ( 5.488 0.000 0.000) 5.488 15.717 ( 1.450 0.000 0.000) 1.450 15.813 ( -4.523 0.000 0.000) 4.523 16.117 ( 10.132 0.000 0.000) 10.132 16.196 ( 14.953 0.000 0.000) 14.953 16.217 ( 13.966 0.000 0.000) 13.966 16.458 ( 2.452 0.000 0.000) 2.452 16.460 ( -2.891 0.000 0.000) 2.891 16.468 ( 11.666 0.000 0.000) 11.666 16.561 ( -5.117 0.000 0.000) 5.117 16.676 ( 5.426 0.000 0.000) 5.426 16.752 ( 4.277 0.000 0.000) 4.277 16.824 ( -6.757 0.000 0.000) 6.757 16.878 ( 3.078 0.000 0.000) 3.078 17.152 ( 4.750 0.000 0.000) 4.750 17.195 ( 12.745 0.000 0.000) 12.745 17.606 ( -16.872 0.000 0.000) 16.872 17.683 ( -2.637 0.000 0.000) 2.637 17.725 ( 0.926 0.000 0.000) 0.926 17.738 ( -14.086 0.000 0.000) 14.086 18.143 ( -21.465 0.000 0.000) 21.465 18.153 ( -3.427 0.000 0.000) 3.427 18.224 ( -2.776 0.000 0.000) 2.776 18.384 ( 12.278 0.000 0.000) 12.278 18.615 ( -20.499 0.000 0.000) 20.499 18.745 ( -1.168 0.000 0.000) 1.168 18.767 ( -3.952 0.000 0.000) 3.952 18.968 ( 6.443 0.000 0.000) 6.443 19.022 ( -0.344 0.000 0.000) 0.344 19.078 ( -5.640 0.000 0.000) 5.640 19.095 ( 4.605 0.000 0.000) 4.605 19.173 ( 0.728 0.000 0.000) 0.728 19.265 ( -1.294 0.000 0.000) 1.294 19.329 ( -1.707 0.000 0.000) 1.707 19.334 ( -3.102 0.000 0.000) 3.102 19.345 ( 9.937 0.000 0.000) 9.937 19.483 ( -4.980 0.000 0.000) 4.980 19.563 ( 2.698 0.000 0.000) 2.698 19.709 ( -8.198 0.000 0.000) 8.198 19.923 ( -8.977 0.000 0.000) 8.977 20.073 ( -4.917 0.000 0.000) 4.917 20.519 ( 2.649 0.000 0.000) 2.649 20.579 ( 1.627 0.000 0.000) 1.627 20.682 ( 5.850 0.000 0.000) 5.850 20.962 ( -1.021 0.000 0.000) 1.021 21.490 ( 0.153 0.000 0.000) 0.153 21.607 ( 1.923 0.000 0.000) 1.923 21.608 ( 2.053 0.000 0.000) 2.053 21.610 ( 4.605 0.000 0.000) 4.605 21.872 ( -3.421 0.000 0.000) 3.421 21.956 ( -0.576 0.000 0.000) 0.576 21.997 ( 1.378 0.000 0.000) 1.378 22.041 ( -5.146 0.000 0.000) 5.146 22.046 ( -4.694 0.000 0.000) 4.694 22.334 ( -11.594 0.000 0.000) 11.594 22.507 ( -7.024 0.000 0.000) 7.024 22.539 ( 11.699 0.000 0.000) 11.699 22.803 ( 0.586 0.000 0.000) 0.586 22.820 ( 11.988 0.000 0.000) 11.988 23.135 ( 15.346 0.000 0.000) 15.346 23.207 ( 10.557 0.000 0.000) 10.557 23.660 ( 0.947 0.000 0.000) 0.947 24.650 ( -12.985 0.000 0.000) 12.985 24.863 ( 0.462 0.000 0.000) 0.462 24.952 ( 2.335 0.000 0.000) 2.335 25.262 ( -3.361 0.000 0.000) 3.361 25.302 ( -8.806 0.000 0.000) 8.806 25.716 ( 11.168 0.000 0.000) 11.168 26.812 ( -8.373 0.000 0.000) 8.373 ======================= Grid point 2 (3/20) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.592 ( 62.300 0.000 0.000) 62.300 2.727 ( 60.078 0.000 0.000) 60.078 3.776 ( 88.411 0.000 0.000) 88.411 5.034 ( -50.748 0.000 0.000) 50.748 5.057 ( -49.356 0.000 0.000) 49.356 6.374 ( -0.453 0.000 0.000) 0.453 6.494 ( 0.545 0.000 0.000) 0.545 6.538 ( -4.305 0.000 0.000) 4.305 6.880 ( 6.084 0.000 0.000) 6.084 6.898 ( -7.051 0.000 0.000) 7.051 6.925 ( 0.658 0.000 0.000) 0.658 7.001 ( -14.256 0.000 0.000) 14.256 7.147 ( -10.953 0.000 0.000) 10.953 7.338 ( -4.840 0.000 0.000) 4.840 7.366 ( -77.109 0.000 0.000) 77.109 7.502 ( -20.642 0.000 0.000) 20.642 7.600 ( 18.862 0.000 0.000) 18.862 7.655 ( 9.713 0.000 0.000) 9.713 7.683 ( -0.191 0.000 0.000) 0.191 7.870 ( -9.869 0.000 0.000) 9.869 8.040 ( 8.366 0.000 0.000) 8.366 8.211 ( -9.382 0.000 0.000) 9.382 8.246 ( 2.723 0.000 0.000) 2.723 8.428 ( 5.091 0.000 0.000) 5.091 8.447 ( 2.841 0.000 0.000) 2.841 8.571 ( -17.503 0.000 0.000) 17.503 8.572 ( -9.159 0.000 0.000) 9.159 8.711 ( -13.954 0.000 0.000) 13.954 8.888 ( 3.085 0.000 0.000) 3.085 9.027 ( -7.186 0.000 0.000) 7.186 9.108 ( 3.659 0.000 0.000) 3.659 9.152 ( -5.616 0.000 0.000) 5.616 9.409 ( -12.144 0.000 0.000) 12.144 9.564 ( -1.589 0.000 0.000) 1.589 9.581 ( -18.205 0.000 0.000) 18.205 9.716 ( -5.250 0.000 0.000) 5.250 9.751 ( -4.318 0.000 0.000) 4.318 9.980 ( 2.652 0.000 0.000) 2.652 9.984 ( -18.190 0.000 0.000) 18.190 10.120 ( 3.215 0.000 0.000) 3.215 10.277 ( 5.382 0.000 0.000) 5.382 10.313 ( 4.263 0.000 0.000) 4.263 10.318 ( 4.674 0.000 0.000) 4.674 10.451 ( 2.186 0.000 0.000) 2.186 10.606 ( -3.650 0.000 0.000) 3.650 10.609 ( -4.937 0.000 0.000) 4.937 10.628 ( -2.002 0.000 0.000) 2.002 10.674 ( -0.148 0.000 0.000) 0.148 10.813 ( 15.204 0.000 0.000) 15.204 10.862 ( 4.542 0.000 0.000) 4.542 10.923 ( 4.664 0.000 0.000) 4.664 10.981 ( 5.552 0.000 0.000) 5.552 11.054 ( 3.619 0.000 0.000) 3.619 11.335 ( 10.901 0.000 0.000) 10.901 11.352 ( 5.174 0.000 0.000) 5.174 11.382 ( 0.940 0.000 0.000) 0.940 11.486 ( -6.379 0.000 0.000) 6.379 11.538 ( -1.411 0.000 0.000) 1.411 11.575 ( -14.253 0.000 0.000) 14.253 11.630 ( -3.681 0.000 0.000) 3.681 11.710 ( 0.250 0.000 0.000) 0.250 11.725 ( -8.477 0.000 0.000) 8.477 11.774 ( 2.447 0.000 0.000) 2.447 11.845 ( 1.413 0.000 0.000) 1.413 11.876 ( 8.538 0.000 0.000) 8.538 11.905 ( 11.192 0.000 0.000) 11.192 12.082 ( 6.547 0.000 0.000) 6.547 12.263 ( 0.807 0.000 0.000) 0.807 12.343 ( 14.970 0.000 0.000) 14.970 12.599 ( 19.976 0.000 0.000) 19.976 12.669 ( 13.348 0.000 0.000) 13.348 12.774 ( 16.318 0.000 0.000) 16.318 13.040 ( 5.981 0.000 0.000) 5.981 13.178 ( 11.889 0.000 0.000) 11.889 13.184 ( -4.101 0.000 0.000) 4.101 13.223 ( -10.964 0.000 0.000) 10.964 13.244 ( 0.405 0.000 0.000) 0.405 13.472 ( 24.447 0.000 0.000) 24.447 13.647 ( -17.374 0.000 0.000) 17.374 13.832 ( -6.567 0.000 0.000) 6.567 14.043 ( -11.711 0.000 0.000) 11.711 14.142 ( 6.766 0.000 0.000) 6.766 14.163 ( 2.525 0.000 0.000) 2.525 14.205 ( 12.402 0.000 0.000) 12.402 14.260 ( -9.906 0.000 0.000) 9.906 14.347 ( -13.753 0.000 0.000) 13.753 14.614 ( -3.544 0.000 0.000) 3.544 14.638 ( 13.716 0.000 0.000) 13.716 14.898 ( -3.428 0.000 0.000) 3.428 15.008 ( 15.631 0.000 0.000) 15.631 15.026 ( 11.514 0.000 0.000) 11.514 15.028 ( -3.995 0.000 0.000) 3.995 15.131 ( -5.430 0.000 0.000) 5.430 15.271 ( 8.185 0.000 0.000) 8.185 15.297 ( 3.369 0.000 0.000) 3.369 15.332 ( -0.565 0.000 0.000) 0.565 15.438 ( 6.073 0.000 0.000) 6.073 15.487 ( 2.847 0.000 0.000) 2.847 15.583 ( -4.244 0.000 0.000) 4.244 15.754 ( 1.153 0.000 0.000) 1.153 15.870 ( 8.803 0.000 0.000) 8.803 15.917 ( 14.098 0.000 0.000) 14.098 16.216 ( -0.502 0.000 0.000) 0.502 16.219 ( -10.272 0.000 0.000) 10.272 16.389 ( -2.622 0.000 0.000) 2.622 16.478 ( 2.644 0.000 0.000) 2.644 16.543 ( 16.868 0.000 0.000) 16.868 16.567 ( 5.644 0.000 0.000) 5.644 16.637 ( -9.654 0.000 0.000) 9.654 16.651 ( -8.291 0.000 0.000) 8.291 16.827 ( 15.124 0.000 0.000) 15.124 16.893 ( 8.754 0.000 0.000) 8.754 17.201 ( 21.047 0.000 0.000) 21.047 17.289 ( 6.887 0.000 0.000) 6.887 17.296 ( -11.886 0.000 0.000) 11.886 17.297 ( -1.328 0.000 0.000) 1.328 17.509 ( -27.045 0.000 0.000) 27.045 17.585 ( -7.144 0.000 0.000) 7.144 17.667 ( 9.151 0.000 0.000) 9.151 17.835 ( 0.383 0.000 0.000) 0.383 18.081 ( -3.497 0.000 0.000) 3.497 18.141 ( -3.138 0.000 0.000) 3.138 18.176 ( -19.739 0.000 0.000) 19.739 18.560 ( -15.855 0.000 0.000) 15.855 18.583 ( 5.389 0.000 0.000) 5.389 18.638 ( -6.894 0.000 0.000) 6.894 19.003 ( -1.356 0.000 0.000) 1.356 19.011 ( 1.502 0.000 0.000) 1.502 19.037 ( -2.366 0.000 0.000) 2.366 19.060 ( -0.237 0.000 0.000) 0.237 19.257 ( -4.173 0.000 0.000) 4.173 19.280 ( -0.813 0.000 0.000) 0.813 19.294 ( 0.142 0.000 0.000) 0.142 19.313 ( 5.044 0.000 0.000) 5.044 19.386 ( -0.099 0.000 0.000) 0.099 19.473 ( -3.761 0.000 0.000) 3.761 19.602 ( -2.096 0.000 0.000) 2.096 19.610 ( 1.088 0.000 0.000) 1.088 19.679 ( -4.609 0.000 0.000) 4.609 19.938 ( -7.690 0.000 0.000) 7.690 20.584 ( 1.985 0.000 0.000) 1.985 20.602 ( 0.388 0.000 0.000) 0.388 20.795 ( 4.857 0.000 0.000) 4.857 20.933 ( -1.804 0.000 0.000) 1.804 21.531 ( 3.485 0.000 0.000) 3.485 21.659 ( 2.737 0.000 0.000) 2.737 21.660 ( 1.900 0.000 0.000) 1.900 21.699 ( 3.211 0.000 0.000) 3.211 21.816 ( -1.405 0.000 0.000) 1.405 21.852 ( -5.494 0.000 0.000) 5.494 21.936 ( -4.744 0.000 0.000) 4.744 21.971 ( -4.961 0.000 0.000) 4.961 22.037 ( 1.726 0.000 0.000) 1.726 22.129 ( -5.213 0.000 0.000) 5.213 22.497 ( 4.422 0.000 0.000) 4.422 22.772 ( -4.124 0.000 0.000) 4.124 22.804 ( 12.215 0.000 0.000) 12.215 23.012 ( 5.051 0.000 0.000) 5.051 23.414 ( 10.955 0.000 0.000) 10.955 23.515 ( 17.936 0.000 0.000) 17.936 23.664 ( -1.170 0.000 0.000) 1.170 24.324 ( -17.693 0.000 0.000) 17.693 24.893 ( 2.673 0.000 0.000) 2.673 24.991 ( 2.175 0.000 0.000) 2.175 25.126 ( -7.818 0.000 0.000) 7.818 25.168 ( -5.190 0.000 0.000) 5.190 25.970 ( 13.033 0.000 0.000) 13.033 26.572 ( -13.757 0.000 0.000) 13.757 ======================= Grid point 3 (4/20) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.865 ( -58.146 0.000 0.000) 58.146 3.865 ( 58.146 0.000 0.000) 58.146 3.947 ( -55.675 0.000 0.000) 55.675 3.947 ( 55.675 0.000 0.000) 55.675 5.628 ( -85.635 0.000 0.000) 85.635 5.628 ( 85.635 0.000 0.000) 85.635 6.436 ( -5.285 0.000 0.000) 5.285 6.436 ( 5.285 0.000 0.000) 5.285 6.620 ( -11.885 0.000 0.000) 11.885 6.620 ( 11.885 0.000 0.000) 11.885 6.899 ( -1.300 0.000 0.000) 1.300 6.899 ( 1.300 0.000 0.000) 1.300 6.966 ( -4.489 0.000 0.000) 4.489 6.966 ( 4.489 0.000 0.000) 4.489 7.272 ( -0.874 0.000 0.000) 0.874 7.272 ( 0.874 0.000 0.000) 0.874 7.715 ( -4.065 0.000 0.000) 4.065 7.715 ( 4.065 0.000 0.000) 4.065 7.940 ( -15.758 0.000 0.000) 15.758 7.940 ( 15.758 0.000 0.000) 15.758 8.112 ( -26.215 0.000 0.000) 26.215 8.112 ( 26.215 0.000 0.000) 26.215 8.250 ( -11.793 0.000 0.000) 11.793 8.250 ( 11.793 0.000 0.000) 11.793 8.421 ( -12.354 0.000 0.000) 12.354 8.421 ( 12.354 0.000 0.000) 12.354 8.494 ( -0.666 0.000 0.000) 0.666 8.494 ( 0.666 0.000 0.000) 0.666 9.079 ( -10.269 0.000 0.000) 10.269 9.079 ( 10.269 0.000 0.000) 10.269 9.091 ( -4.971 0.000 0.000) 4.971 9.091 ( 4.971 0.000 0.000) 4.971 9.276 ( -7.891 0.000 0.000) 7.891 9.276 ( 7.891 0.000 0.000) 7.891 9.620 ( -6.216 0.000 0.000) 6.216 9.620 ( 6.216 0.000 0.000) 6.216 9.707 ( -6.352 0.000 0.000) 6.352 9.707 ( 6.352 0.000 0.000) 6.352 10.056 ( -3.877 0.000 0.000) 3.877 10.056 ( 3.877 0.000 0.000) 3.877 10.370 ( -0.045 0.000 0.000) 0.045 10.370 ( 0.045 0.000 0.000) 0.045 10.472 ( -7.101 0.000 0.000) 7.101 10.472 ( 7.101 0.000 0.000) 7.101 10.514 ( -3.954 0.000 0.000) 3.954 10.514 ( 3.954 0.000 0.000) 3.954 10.658 ( -2.695 0.000 0.000) 2.695 10.658 ( 2.695 0.000 0.000) 2.695 11.031 ( -3.547 0.000 0.000) 3.547 11.031 ( 3.547 0.000 0.000) 3.547 11.037 ( -5.208 0.000 0.000) 5.208 11.037 ( 5.208 0.000 0.000) 5.208 11.201 ( -13.259 0.000 0.000) 13.259 11.201 ( 13.259 0.000 0.000) 13.259 11.283 ( -1.792 0.000 0.000) 1.792 11.283 ( 1.792 0.000 0.000) 1.792 11.524 ( -5.512 0.000 0.000) 5.512 11.524 ( 5.512 0.000 0.000) 5.512 11.536 ( -5.853 0.000 0.000) 5.853 11.536 ( 5.853 0.000 0.000) 5.853 11.627 ( -3.658 0.000 0.000) 3.658 11.627 ( 3.658 0.000 0.000) 3.658 11.846 ( -2.125 0.000 0.000) 2.125 11.846 ( 2.125 0.000 0.000) 2.125 12.069 ( -6.350 0.000 0.000) 6.350 12.069 ( 6.350 0.000 0.000) 6.350 12.144 ( -10.474 0.000 0.000) 10.474 12.144 ( 10.474 0.000 0.000) 10.474 12.646 ( -11.824 0.000 0.000) 11.824 12.646 ( 11.824 0.000 0.000) 11.824 12.949 ( -13.099 0.000 0.000) 13.099 12.949 ( 13.099 0.000 0.000) 13.099 13.107 ( -10.770 0.000 0.000) 10.770 13.107 ( 10.770 0.000 0.000) 10.770 13.239 ( -14.237 0.000 0.000) 14.237 13.239 ( 14.237 0.000 0.000) 14.237 13.329 ( -6.176 0.000 0.000) 6.176 13.329 ( 6.176 0.000 0.000) 6.176 13.773 ( -10.268 0.000 0.000) 10.268 13.773 ( 10.268 0.000 0.000) 10.268 14.045 ( -21.270 0.000 0.000) 21.270 14.045 ( 21.270 0.000 0.000) 21.270 14.130 ( -3.647 0.000 0.000) 3.647 14.130 ( 3.647 0.000 0.000) 3.647 14.196 ( -0.173 0.000 0.000) 0.173 14.196 ( 0.173 0.000 0.000) 0.173 14.752 ( -5.526 0.000 0.000) 5.526 14.752 ( 5.526 0.000 0.000) 5.526 14.940 ( -4.163 0.000 0.000) 4.163 14.940 ( 4.163 0.000 0.000) 4.163 15.079 ( -0.682 0.000 0.000) 0.682 15.079 ( 0.682 0.000 0.000) 0.682 15.251 ( -6.435 0.000 0.000) 6.435 15.251 ( 6.435 0.000 0.000) 6.435 15.470 ( -6.938 0.000 0.000) 6.938 15.470 ( 6.938 0.000 0.000) 6.938 15.496 ( -0.177 0.000 0.000) 0.177 15.496 ( 0.177 0.000 0.000) 0.177 15.586 ( -16.706 0.000 0.000) 16.706 15.586 ( 16.706 0.000 0.000) 16.706 16.048 ( -5.984 0.000 0.000) 5.984 16.048 ( 5.984 0.000 0.000) 5.984 16.152 ( -3.956 0.000 0.000) 3.956 16.152 ( 3.956 0.000 0.000) 3.956 16.498 ( -3.038 0.000 0.000) 3.038 16.498 ( 3.038 0.000 0.000) 3.038 16.553 ( -4.553 0.000 0.000) 4.553 16.553 ( 4.553 0.000 0.000) 4.553 16.657 ( -16.669 0.000 0.000) 16.669 16.657 ( 16.669 0.000 0.000) 16.669 17.007 ( -0.620 0.000 0.000) 0.620 17.007 ( 0.620 0.000 0.000) 0.620 17.064 ( -4.209 0.000 0.000) 4.209 17.064 ( 4.209 0.000 0.000) 4.209 17.393 ( -9.510 0.000 0.000) 9.510 17.393 ( 9.510 0.000 0.000) 9.510 17.470 ( -2.103 0.000 0.000) 2.103 17.470 ( 2.103 0.000 0.000) 2.103 17.891 ( -5.180 0.000 0.000) 5.180 17.891 ( 5.180 0.000 0.000) 5.180 17.924 ( -12.123 0.000 0.000) 12.123 17.924 ( 12.123 0.000 0.000) 12.123 18.208 ( -12.420 0.000 0.000) 12.420 18.208 ( 12.420 0.000 0.000) 12.420 18.594 ( -2.267 0.000 0.000) 2.267 18.594 ( 2.267 0.000 0.000) 2.267 19.013 ( -2.146 0.000 0.000) 2.146 19.013 ( 2.146 0.000 0.000) 2.146 19.064 ( -2.074 0.000 0.000) 2.074 19.064 ( 2.074 0.000 0.000) 2.074 19.187 ( -6.635 0.000 0.000) 6.635 19.187 ( 6.635 0.000 0.000) 6.635 19.293 ( -1.015 0.000 0.000) 1.015 19.293 ( 1.015 0.000 0.000) 1.015 19.424 ( -0.681 0.000 0.000) 0.681 19.424 ( 0.681 0.000 0.000) 0.681 19.604 ( -1.241 0.000 0.000) 1.241 19.604 ( 1.241 0.000 0.000) 1.241 19.770 ( -7.575 0.000 0.000) 7.575 19.770 ( 7.575 0.000 0.000) 7.575 20.602 ( -0.238 0.000 0.000) 0.238 20.602 ( 0.238 0.000 0.000) 0.238 20.881 ( -3.261 0.000 0.000) 3.261 20.881 ( 3.261 0.000 0.000) 3.261 21.622 ( -4.604 0.000 0.000) 4.604 21.622 ( 4.604 0.000 0.000) 4.604 21.710 ( -1.753 0.000 0.000) 1.753 21.710 ( 1.753 0.000 0.000) 1.753 21.845 ( -3.644 0.000 0.000) 3.644 21.845 ( 3.644 0.000 0.000) 3.644 21.849 ( -4.592 0.000 0.000) 4.592 21.849 ( 4.592 0.000 0.000) 4.592 22.074 ( -1.756 0.000 0.000) 1.756 22.074 ( 1.756 0.000 0.000) 1.756 22.639 ( -7.698 0.000 0.000) 7.698 22.639 ( 7.698 0.000 0.000) 7.698 23.004 ( -5.732 0.000 0.000) 5.732 23.004 ( 5.732 0.000 0.000) 5.732 23.592 ( -5.924 0.000 0.000) 5.924 23.592 ( 5.924 0.000 0.000) 5.924 23.923 ( -19.931 0.000 0.000) 19.931 23.923 ( 19.931 0.000 0.000) 19.931 24.982 ( -5.692 0.000 0.000) 5.692 24.982 ( 5.692 0.000 0.000) 5.692 25.062 ( -4.506 0.000 0.000) 4.506 25.062 ( 4.506 0.000 0.000) 4.506 26.265 ( -14.783 0.000 0.000) 14.783 26.265 ( 14.783 0.000 0.000) 14.783 ======================= Grid point 8 (5/20) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 31.942 31.942 0.000) 45.173 1.916 ( 44.324 44.324 0.000) 62.684 2.986 ( 69.087 69.087 0.000) 97.704 5.811 ( -24.989 -24.989 0.000) 35.340 5.898 ( -15.595 -15.595 0.000) 22.054 5.997 ( -24.042 -24.042 0.000) 34.000 6.370 ( -11.401 -11.401 0.000) 16.124 6.512 ( -13.665 -13.665 0.000) 19.325 6.700 ( -3.894 -3.894 0.000) 5.507 6.757 ( 3.393 3.393 0.000) 4.798 7.039 ( 3.394 3.394 0.000) 4.799 7.046 ( 2.089 2.089 0.000) 2.954 7.336 ( 1.453 1.453 0.000) 2.054 7.365 ( -6.671 -6.671 0.000) 9.434 7.476 ( -2.803 -2.803 0.000) 3.964 7.561 ( -4.638 -4.638 0.000) 6.559 7.572 ( -8.964 -8.964 0.000) 12.677 7.906 ( 0.163 0.163 0.000) 0.231 7.957 ( -11.043 -11.043 0.000) 15.617 8.031 ( 2.568 2.568 0.000) 3.632 8.219 ( 0.778 0.778 0.000) 1.100 8.289 ( -8.663 -8.663 0.000) 12.251 8.308 ( -4.224 -4.224 0.000) 5.973 8.393 ( -0.264 -0.264 0.000) 0.373 8.417 ( -1.828 -1.828 0.000) 2.585 8.741 ( -16.582 -16.582 0.000) 23.450 8.762 ( -3.906 -3.906 0.000) 5.523 8.983 ( -10.767 -10.767 0.000) 15.226 9.032 ( -5.620 -5.620 0.000) 7.947 9.118 ( -9.290 -9.290 0.000) 13.138 9.245 ( -6.120 -6.120 0.000) 8.655 9.327 ( -15.252 -15.252 0.000) 21.570 9.498 ( -1.661 -1.661 0.000) 2.349 9.504 ( -6.516 -6.516 0.000) 9.215 9.584 ( -1.628 -1.628 0.000) 2.303 9.659 ( -11.182 -11.182 0.000) 15.813 9.727 ( -3.590 -3.590 0.000) 5.077 10.033 ( 1.896 1.896 0.000) 2.682 10.073 ( 2.395 2.395 0.000) 3.387 10.132 ( -2.972 -2.972 0.000) 4.202 10.238 ( -4.952 -4.952 0.000) 7.004 10.272 ( -2.680 -2.680 0.000) 3.790 10.324 ( -3.709 -3.709 0.000) 5.245 10.369 ( -7.748 -7.748 0.000) 10.957 10.424 ( -5.767 -5.767 0.000) 8.156 10.593 ( 0.892 0.892 0.000) 1.261 10.677 ( -1.297 -1.297 0.000) 1.835 10.771 ( -5.513 -5.513 0.000) 7.797 10.787 ( -0.351 -0.351 0.000) 0.496 10.820 ( 3.495 3.495 0.000) 4.942 10.882 ( 7.250 7.250 0.000) 10.253 10.917 ( 3.116 3.116 0.000) 4.407 11.172 ( 8.946 8.946 0.000) 12.652 11.185 ( -1.389 -1.389 0.000) 1.965 11.212 ( 5.507 5.507 0.000) 7.788 11.336 ( 6.078 6.078 0.000) 8.596 11.360 ( 8.314 8.314 0.000) 11.758 11.590 ( -4.283 -4.283 0.000) 6.056 11.597 ( 0.540 0.540 0.000) 0.763 11.630 ( -0.356 -0.356 0.000) 0.504 11.665 ( -3.481 -3.481 0.000) 4.923 11.672 ( -1.104 -1.104 0.000) 1.561 11.798 ( -0.022 -0.022 0.000) 0.032 11.886 ( 8.389 8.389 0.000) 11.864 11.925 ( 4.468 4.468 0.000) 6.319 12.010 ( 12.460 12.460 0.000) 17.622 12.033 ( 2.738 2.738 0.000) 3.872 12.150 ( 13.598 13.598 0.000) 19.230 12.272 ( 11.297 11.297 0.000) 15.976 12.344 ( 9.737 9.737 0.000) 13.770 12.436 ( 9.365 9.365 0.000) 13.245 12.622 ( 10.830 10.830 0.000) 15.316 12.933 ( 16.342 16.342 0.000) 23.111 13.038 ( -4.121 -4.121 0.000) 5.827 13.103 ( 12.559 12.559 0.000) 17.761 13.179 ( 15.018 15.018 0.000) 21.238 13.373 ( -6.234 -6.234 0.000) 8.817 13.661 ( 2.725 2.725 0.000) 3.853 13.688 ( 4.694 4.694 0.000) 6.639 13.965 ( 5.011 5.011 0.000) 7.086 14.000 ( 3.858 3.858 0.000) 5.456 14.117 ( 0.155 0.155 0.000) 0.219 14.273 ( 5.619 5.619 0.000) 7.947 14.300 ( 5.194 5.194 0.000) 7.345 14.330 ( -5.836 -5.836 0.000) 8.254 14.373 ( 2.691 2.691 0.000) 3.806 14.558 ( -0.865 -0.865 0.000) 1.223 14.573 ( -5.387 -5.387 0.000) 7.619 14.702 ( 0.665 0.665 0.000) 0.941 14.751 ( 1.223 1.223 0.000) 1.729 14.968 ( 2.508 2.508 0.000) 3.547 15.037 ( -5.908 -5.908 0.000) 8.355 15.166 ( -6.726 -6.726 0.000) 9.513 15.207 ( 0.410 0.410 0.000) 0.580 15.314 ( 1.032 1.032 0.000) 1.460 15.396 ( -1.637 -1.637 0.000) 2.315 15.482 ( 5.691 5.691 0.000) 8.049 15.497 ( 3.433 3.433 0.000) 4.855 15.625 ( -0.850 -0.850 0.000) 1.203 15.642 ( -3.231 -3.231 0.000) 4.569 15.703 ( 1.185 1.185 0.000) 1.676 15.724 ( -0.874 -0.874 0.000) 1.236 16.106 ( 2.742 2.742 0.000) 3.877 16.179 ( 3.226 3.226 0.000) 4.563 16.323 ( -4.024 -4.024 0.000) 5.690 16.439 ( -0.303 -0.303 0.000) 0.428 16.476 ( -4.296 -4.296 0.000) 6.076 16.516 ( -3.437 -3.437 0.000) 4.861 16.651 ( 7.880 7.880 0.000) 11.144 16.668 ( 10.137 10.137 0.000) 14.336 16.770 ( 3.346 3.346 0.000) 4.732 16.855 ( 5.109 5.109 0.000) 7.226 16.963 ( 3.658 3.658 0.000) 5.173 17.211 ( 4.122 4.122 0.000) 5.830 17.233 ( 4.210 4.210 0.000) 5.955 17.482 ( -5.658 -5.658 0.000) 8.001 17.533 ( -14.902 -14.902 0.000) 21.074 17.720 ( -1.772 -1.772 0.000) 2.506 17.731 ( 0.301 0.301 0.000) 0.426 17.879 ( -1.513 -1.513 0.000) 2.139 18.203 ( -1.264 -1.264 0.000) 1.787 18.264 ( -2.637 -2.637 0.000) 3.729 18.448 ( -6.974 -6.974 0.000) 9.863 18.517 ( -7.068 -7.068 0.000) 9.996 18.738 ( -3.343 -3.343 0.000) 4.727 18.837 ( -0.788 -0.788 0.000) 1.115 18.936 ( 0.651 0.651 0.000) 0.921 19.003 ( -0.634 -0.634 0.000) 0.897 19.046 ( -0.623 -0.623 0.000) 0.881 19.112 ( 1.233 1.233 0.000) 1.744 19.157 ( -0.430 -0.430 0.000) 0.608 19.254 ( 0.555 0.555 0.000) 0.785 19.272 ( -2.148 -2.148 0.000) 3.037 19.346 ( 1.430 1.430 0.000) 2.023 19.369 ( -3.175 -3.175 0.000) 4.491 19.401 ( -5.868 -5.868 0.000) 8.299 19.600 ( 5.546 5.546 0.000) 7.843 19.664 ( -3.966 -3.966 0.000) 5.609 20.000 ( -1.959 -1.959 0.000) 2.770 20.040 ( -3.080 -3.080 0.000) 4.356 20.266 ( -7.875 -7.875 0.000) 11.138 20.590 ( 0.169 0.169 0.000) 0.239 20.732 ( 5.730 5.730 0.000) 8.103 21.111 ( 3.505 3.505 0.000) 4.957 21.504 ( 1.280 1.280 0.000) 1.811 21.608 ( 0.203 0.203 0.000) 0.286 21.631 ( 2.762 2.762 0.000) 3.905 21.663 ( 2.944 2.944 0.000) 4.163 21.826 ( -3.594 -3.594 0.000) 5.083 21.960 ( 1.195 1.195 0.000) 1.690 21.970 ( -4.009 -4.009 0.000) 5.670 21.996 ( -4.952 -4.952 0.000) 7.002 22.035 ( 0.730 0.730 0.000) 1.032 22.356 ( -1.490 -1.490 0.000) 2.107 22.358 ( -4.343 -4.343 0.000) 6.142 22.681 ( -3.489 -3.489 0.000) 4.935 22.694 ( 10.069 10.069 0.000) 14.239 23.011 ( 10.498 10.498 0.000) 14.847 23.258 ( 9.251 9.251 0.000) 13.083 23.300 ( 8.710 8.710 0.000) 12.318 23.676 ( 1.136 1.136 0.000) 1.606 24.567 ( -8.669 -8.669 0.000) 12.260 24.718 ( -5.891 -5.891 0.000) 8.331 25.049 ( 5.048 5.048 0.000) 7.139 25.136 ( -10.463 -10.463 0.000) 14.797 25.389 ( 2.924 2.924 0.000) 4.135 25.747 ( 5.049 5.049 0.000) 7.140 26.719 ( -8.249 -8.249 0.000) 11.666 ======================= Grid point 9 (6/20) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 60.703 -7.677 0.000) 61.186 2.982 ( 53.886 27.463 0.000) 60.480 4.507 ( 72.909 52.562 0.000) 89.880 4.882 ( -52.037 -12.176 0.000) 53.442 5.166 ( -45.335 9.801 0.000) 46.382 5.795 ( -3.420 -42.666 0.000) 42.803 6.133 ( -15.993 -33.105 0.000) 36.765 6.392 ( 3.227 -12.346 0.000) 12.761 6.640 ( -3.686 -7.473 0.000) 8.333 6.831 ( 3.037 -1.929 0.000) 3.598 7.007 ( -7.383 -0.975 0.000) 7.447 7.090 ( -8.923 -3.039 0.000) 9.426 7.160 ( 5.379 -13.563 0.000) 14.591 7.232 ( -11.335 -6.461 0.000) 13.047 7.305 ( -13.822 -11.272 0.000) 17.836 7.376 ( -10.669 -6.097 0.000) 12.288 7.494 ( -12.386 -1.358 0.000) 12.460 7.692 ( -10.337 -6.484 0.000) 12.203 7.830 ( -35.156 14.567 0.000) 38.055 7.852 ( -3.552 1.539 0.000) 3.871 8.008 ( -13.184 -21.339 0.000) 25.083 8.089 ( 1.852 0.948 0.000) 2.080 8.132 ( -11.191 -21.829 0.000) 24.530 8.288 ( -0.283 -1.605 0.000) 1.630 8.334 ( -5.339 3.394 0.000) 6.327 8.500 ( 2.944 3.612 0.000) 4.660 8.654 ( 3.517 -1.524 0.000) 3.833 8.788 ( -14.919 4.707 0.000) 15.644 8.886 ( -5.918 -1.848 0.000) 6.200 9.029 ( -1.876 -3.071 0.000) 3.599 9.160 ( 7.514 7.963 0.000) 10.949 9.203 ( -0.040 1.572 0.000) 1.573 9.343 ( -2.311 -7.090 0.000) 7.457 9.438 ( -5.290 5.570 0.000) 7.682 9.659 ( 1.291 -1.612 0.000) 2.066 9.695 ( -0.450 -2.368 0.000) 2.410 9.783 ( 9.008 -4.660 0.000) 10.142 9.922 ( -7.582 -1.033 0.000) 7.652 9.975 ( -8.527 -6.749 0.000) 10.875 10.063 ( -0.614 -7.168 0.000) 7.194 10.158 ( 2.800 -5.798 0.000) 6.438 10.265 ( 0.275 -0.397 0.000) 0.483 10.302 ( -1.929 -7.207 0.000) 7.460 10.365 ( 2.037 -7.431 0.000) 7.706 10.472 ( 7.466 -1.740 0.000) 7.666 10.571 ( -3.545 -4.254 0.000) 5.537 10.669 ( 2.658 -1.386 0.000) 2.998 10.731 ( 2.826 -1.060 0.000) 3.019 10.786 ( -1.227 2.040 0.000) 2.380 10.900 ( 0.260 8.044 0.000) 8.048 10.934 ( 0.512 2.181 0.000) 2.240 11.005 ( 7.884 2.587 0.000) 8.298 11.199 ( 2.879 7.806 0.000) 8.320 11.276 ( -1.699 -5.990 0.000) 6.226 11.332 ( 3.341 2.267 0.000) 4.037 11.367 ( 2.066 -1.782 0.000) 2.728 11.456 ( -3.963 2.818 0.000) 4.863 11.496 ( -2.409 -1.474 0.000) 2.824 11.591 ( 4.735 0.479 0.000) 4.759 11.610 ( -3.237 -2.316 0.000) 3.980 11.669 ( -0.305 0.236 0.000) 0.386 11.740 ( 0.041 0.532 0.000) 0.533 11.825 ( 1.397 0.174 0.000) 1.408 11.894 ( 1.557 7.308 0.000) 7.473 11.973 ( -0.812 12.318 0.000) 12.345 12.047 ( 8.074 7.955 0.000) 11.335 12.290 ( 2.366 15.230 0.000) 15.413 12.351 ( 1.195 9.978 0.000) 10.049 12.482 ( 10.438 10.628 0.000) 14.896 12.616 ( 8.411 -0.577 0.000) 8.431 12.726 ( 16.982 3.555 0.000) 17.350 12.883 ( 6.606 5.769 0.000) 8.771 12.937 ( 11.917 -2.453 0.000) 12.167 13.197 ( 0.220 1.564 0.000) 1.579 13.322 ( 2.215 8.046 0.000) 8.345 13.373 ( 1.335 8.122 0.000) 8.231 13.392 ( 10.231 15.864 0.000) 18.877 13.661 ( 12.691 17.668 0.000) 21.754 13.813 ( -4.375 -0.378 0.000) 4.391 13.945 ( -8.428 14.691 0.000) 16.937 14.060 ( -3.881 -4.854 0.000) 6.215 14.134 ( 2.660 2.547 0.000) 3.683 14.185 ( -5.111 5.986 0.000) 7.871 14.278 ( -1.953 9.676 0.000) 9.871 14.359 ( -1.189 9.638 0.000) 9.711 14.425 ( 3.821 4.471 0.000) 5.881 14.589 ( 9.550 -0.310 0.000) 9.555 14.661 ( -2.936 1.741 0.000) 3.413 14.785 ( 11.103 -10.730 0.000) 15.441 14.929 ( 0.503 -0.843 0.000) 0.982 14.946 ( 7.948 -5.750 0.000) 9.809 15.024 ( 9.099 -5.143 0.000) 10.452 15.081 ( -2.932 -3.916 0.000) 4.892 15.206 ( 2.508 -5.001 0.000) 5.595 15.297 ( -4.761 1.376 0.000) 4.956 15.307 ( -2.772 -3.015 0.000) 4.096 15.459 ( -2.346 3.340 0.000) 4.082 15.528 ( -0.327 -1.708 0.000) 1.739 15.566 ( -4.927 -2.931 0.000) 5.733 15.745 ( 4.205 -3.634 0.000) 5.558 15.765 ( 8.485 0.378 0.000) 8.493 15.883 ( 7.906 -7.008 0.000) 10.565 16.084 ( -3.313 -9.551 0.000) 10.109 16.163 ( -0.432 -13.960 0.000) 13.966 16.219 ( -10.139 -3.441 0.000) 10.707 16.409 ( 7.590 0.057 0.000) 7.591 16.483 ( -1.372 -1.468 0.000) 2.009 16.573 ( 3.754 -14.920 0.000) 15.385 16.635 ( -0.079 -1.513 0.000) 1.515 16.763 ( -3.228 8.849 0.000) 9.420 16.845 ( 1.594 8.802 0.000) 8.946 16.951 ( 1.702 7.508 0.000) 7.699 17.158 ( -0.321 -6.884 0.000) 6.891 17.248 ( -0.385 -1.280 0.000) 1.337 17.302 ( 12.957 0.271 0.000) 12.960 17.414 ( 10.871 10.993 0.000) 15.460 17.490 ( -3.473 0.203 0.000) 3.479 17.675 ( 0.443 2.982 0.000) 3.014 17.746 ( 1.399 7.782 0.000) 7.907 17.880 ( 0.528 4.383 0.000) 4.415 18.006 ( -9.944 -0.947 0.000) 9.989 18.161 ( -11.252 -2.843 0.000) 11.606 18.264 ( -6.505 2.200 0.000) 6.867 18.409 ( -4.333 -3.167 0.000) 5.367 18.594 ( -8.213 -2.033 0.000) 8.461 18.750 ( -6.270 3.848 0.000) 7.357 18.939 ( 0.965 -6.193 0.000) 6.267 19.004 ( 1.171 0.333 0.000) 1.217 19.016 ( -1.314 -1.485 0.000) 1.983 19.081 ( -2.587 1.029 0.000) 2.784 19.167 ( -2.832 -6.448 0.000) 7.042 19.250 ( -0.603 -4.087 0.000) 4.131 19.261 ( -1.831 -3.609 0.000) 4.047 19.303 ( -3.379 -3.608 0.000) 4.943 19.310 ( 2.403 -3.104 0.000) 3.925 19.428 ( 3.162 -0.998 0.000) 3.316 19.589 ( -1.914 1.143 0.000) 2.229 19.696 ( -2.574 1.233 0.000) 2.854 19.779 ( -5.361 10.188 0.000) 11.513 19.943 ( -4.841 -0.466 0.000) 4.864 20.330 ( 6.171 -15.856 0.000) 17.015 20.556 ( -3.554 -2.434 0.000) 4.307 20.874 ( 7.118 5.909 0.000) 9.251 21.104 ( -2.937 8.020 0.000) 8.541 21.539 ( 1.908 1.218 0.000) 2.264 21.612 ( -0.409 -2.855 0.000) 2.884 21.696 ( 2.520 2.338 0.000) 3.438 21.704 ( 1.196 0.539 0.000) 1.312 21.781 ( 0.096 -3.787 0.000) 3.788 21.860 ( -4.723 -1.170 0.000) 4.866 21.896 ( -2.941 -0.567 0.000) 2.995 22.000 ( -0.876 1.469 0.000) 1.710 22.047 ( 1.750 0.431 0.000) 1.803 22.207 ( -5.781 6.518 0.000) 8.712 22.417 ( 4.601 -4.326 0.000) 6.315 22.636 ( -2.645 -8.558 0.000) 8.957 22.943 ( 12.166 10.586 0.000) 16.127 23.181 ( 4.019 11.604 0.000) 12.281 23.453 ( 8.884 3.253 0.000) 9.461 23.565 ( 15.737 4.623 0.000) 16.402 23.683 ( -1.079 1.420 0.000) 1.783 24.293 ( -15.944 -2.507 0.000) 16.140 24.674 ( 0.765 -12.800 0.000) 12.823 24.910 ( -9.946 -12.129 0.000) 15.685 25.149 ( 4.660 7.878 0.000) 9.154 25.361 ( -4.207 8.989 0.000) 9.925 25.932 ( 11.396 -2.837 0.000) 11.744 26.489 ( -13.045 -7.469 0.000) 15.032 ======================= Grid point 10 (7/20) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.660 ( -59.262 -14.206 0.000) 60.941 3.660 ( 59.262 -14.206 0.000) 60.941 4.122 ( -51.318 18.225 0.000) 54.459 4.122 ( 51.318 18.225 0.000) 54.459 5.849 ( -8.887 -42.672 0.000) 43.588 5.849 ( 8.887 -42.672 0.000) 43.588 6.073 ( -71.756 33.819 0.000) 79.326 6.073 ( 71.756 33.819 0.000) 79.326 6.512 ( -8.052 -4.448 0.000) 9.199 6.512 ( 8.052 -4.448 0.000) 9.199 6.876 ( -2.757 -7.080 0.000) 7.597 6.876 ( 2.757 -7.080 0.000) 7.597 7.082 ( -3.790 -0.942 0.000) 3.905 7.082 ( 3.790 -0.942 0.000) 3.905 7.219 ( -7.761 -4.847 0.000) 9.150 7.219 ( 7.761 -4.847 0.000) 9.150 7.520 ( -12.654 -18.783 0.000) 22.647 7.520 ( 12.654 -18.783 0.000) 22.647 7.725 ( -11.734 -14.796 0.000) 18.884 7.725 ( 11.734 -14.796 0.000) 18.884 7.901 ( -6.016 -17.265 0.000) 18.283 7.901 ( 6.016 -17.265 0.000) 18.283 8.192 ( -5.315 0.533 0.000) 5.342 8.192 ( 5.315 0.533 0.000) 5.342 8.459 ( -11.914 4.080 0.000) 12.593 8.459 ( 11.914 4.080 0.000) 12.593 8.584 ( -5.493 5.209 0.000) 7.570 8.584 ( 5.493 5.209 0.000) 7.570 8.997 ( -7.557 -0.971 0.000) 7.619 8.997 ( 7.557 -0.971 0.000) 7.619 9.217 ( -3.606 5.416 0.000) 6.506 9.217 ( 3.606 5.416 0.000) 6.506 9.358 ( -3.321 5.054 0.000) 6.048 9.358 ( 3.321 5.054 0.000) 6.048 9.677 ( -3.975 3.782 0.000) 5.487 9.677 ( 3.975 3.782 0.000) 5.487 9.768 ( -7.111 3.254 0.000) 7.820 9.768 ( 7.111 3.254 0.000) 7.820 10.081 ( -6.821 -1.496 0.000) 6.983 10.081 ( 6.821 -1.496 0.000) 6.983 10.218 ( -5.361 -12.387 0.000) 13.497 10.218 ( 5.361 -12.387 0.000) 13.497 10.319 ( -4.493 -5.604 0.000) 7.183 10.319 ( 4.493 -5.604 0.000) 7.183 10.539 ( -0.158 -4.208 0.000) 4.211 10.539 ( 0.158 -4.208 0.000) 4.211 10.728 ( -2.672 -3.468 0.000) 4.378 10.728 ( 2.672 -3.468 0.000) 4.378 10.862 ( -6.310 -3.728 0.000) 7.329 10.862 ( 6.310 -3.728 0.000) 7.329 11.044 ( -9.216 -0.199 0.000) 9.218 11.044 ( 9.216 -0.199 0.000) 9.218 11.216 ( -8.142 1.258 0.000) 8.239 11.216 ( 8.142 1.258 0.000) 8.239 11.342 ( -1.710 3.377 0.000) 3.785 11.342 ( 1.710 3.377 0.000) 3.785 11.496 ( -4.625 4.055 0.000) 6.151 11.496 ( 4.625 4.055 0.000) 6.151 11.548 ( -3.193 -2.090 0.000) 3.816 11.548 ( 3.193 -2.090 0.000) 3.816 11.720 ( -4.735 8.735 0.000) 9.936 11.720 ( 4.735 8.735 0.000) 9.936 11.849 ( -5.767 2.116 0.000) 6.143 11.849 ( 5.767 2.116 0.000) 6.143 12.145 ( -8.339 8.776 0.000) 12.106 12.145 ( 8.339 8.776 0.000) 12.106 12.268 ( -5.870 8.934 0.000) 10.689 12.268 ( 5.870 8.934 0.000) 10.689 12.610 ( -3.975 2.502 0.000) 4.697 12.610 ( 3.975 2.502 0.000) 4.697 12.983 ( -4.703 3.880 0.000) 6.097 12.983 ( 4.703 3.880 0.000) 6.097 13.169 ( -4.355 4.845 0.000) 6.515 13.169 ( 4.355 4.845 0.000) 6.515 13.348 ( -9.592 5.464 0.000) 11.039 13.348 ( 9.592 5.464 0.000) 11.039 13.642 ( -13.718 12.382 0.000) 18.480 13.642 ( 13.718 12.382 0.000) 18.480 13.858 ( -11.581 11.997 0.000) 16.675 13.858 ( 11.581 11.997 0.000) 16.675 13.967 ( -9.579 0.778 0.000) 9.610 13.967 ( 9.579 0.778 0.000) 9.610 14.223 ( -7.450 7.285 0.000) 10.420 14.223 ( 7.450 7.285 0.000) 10.420 14.381 ( -6.432 13.148 0.000) 14.637 14.381 ( 6.432 13.148 0.000) 14.637 14.701 ( -2.611 -2.853 0.000) 3.868 14.701 ( 2.611 -2.853 0.000) 3.868 14.978 ( -5.918 -0.507 0.000) 5.940 14.978 ( 5.918 -0.507 0.000) 5.940 15.031 ( -7.594 -2.128 0.000) 7.886 15.031 ( 7.594 -2.128 0.000) 7.886 15.175 ( -5.094 -8.426 0.000) 9.847 15.175 ( 5.094 -8.426 0.000) 9.847 15.277 ( -6.494 -11.761 0.000) 13.435 15.277 ( 6.494 -11.761 0.000) 13.435 15.447 ( -4.534 -0.855 0.000) 4.614 15.447 ( 4.534 -0.855 0.000) 4.614 15.674 ( -13.631 -2.242 0.000) 13.815 15.674 ( 13.631 -2.242 0.000) 13.815 15.856 ( -3.795 -8.424 0.000) 9.240 15.856 ( 3.795 -8.424 0.000) 9.240 16.077 ( -2.568 -8.949 0.000) 9.310 16.077 ( 2.568 -8.949 0.000) 9.310 16.442 ( -8.702 -13.354 0.000) 15.939 16.442 ( 8.702 -13.354 0.000) 15.939 16.478 ( -9.414 -4.260 0.000) 10.333 16.478 ( 9.414 -4.260 0.000) 10.333 16.715 ( -6.498 6.589 0.000) 9.254 16.715 ( 6.498 6.589 0.000) 9.254 16.859 ( -8.894 2.546 0.000) 9.251 16.859 ( 8.894 2.546 0.000) 9.251 17.188 ( -4.584 2.466 0.000) 5.205 17.188 ( 4.584 2.466 0.000) 5.205 17.460 ( -5.635 5.736 0.000) 8.041 17.460 ( 5.635 5.736 0.000) 8.041 17.667 ( -4.362 10.988 0.000) 11.822 17.667 ( 4.362 10.988 0.000) 11.822 17.841 ( -4.235 -2.096 0.000) 4.725 17.841 ( 4.235 -2.096 0.000) 4.725 17.936 ( -7.269 2.336 0.000) 7.635 17.936 ( 7.269 2.336 0.000) 7.635 18.237 ( -6.085 1.977 0.000) 6.398 18.237 ( 6.085 1.977 0.000) 6.398 18.599 ( -6.882 -0.079 0.000) 6.882 18.599 ( 6.882 -0.079 0.000) 6.882 18.977 ( -2.216 -4.160 0.000) 4.713 18.977 ( 2.216 -4.160 0.000) 4.713 19.055 ( -2.074 -0.957 0.000) 2.284 19.055 ( 2.074 -0.957 0.000) 2.284 19.143 ( -5.641 -3.082 0.000) 6.428 19.143 ( 5.641 -3.082 0.000) 6.428 19.260 ( -1.267 -3.741 0.000) 3.950 19.260 ( 1.267 -3.741 0.000) 3.950 19.399 ( -4.499 -2.695 0.000) 5.244 19.399 ( 4.499 -2.695 0.000) 5.244 19.598 ( -2.469 1.545 0.000) 2.912 19.598 ( 2.469 1.545 0.000) 2.912 19.840 ( -4.714 4.004 0.000) 6.185 19.840 ( 4.714 4.004 0.000) 6.185 20.454 ( -5.667 -8.463 0.000) 10.185 20.454 ( 5.667 -8.463 0.000) 10.185 21.011 ( -5.639 7.590 0.000) 9.455 21.011 ( 5.639 7.590 0.000) 9.455 21.581 ( -2.019 -1.775 0.000) 2.688 21.581 ( 2.019 -1.775 0.000) 2.688 21.732 ( -1.063 0.722 0.000) 1.285 21.732 ( 1.063 0.722 0.000) 1.285 21.782 ( -1.666 -3.046 0.000) 3.471 21.782 ( 1.666 -3.046 0.000) 3.471 21.924 ( -4.239 2.393 0.000) 4.868 21.924 ( 4.239 2.393 0.000) 4.868 22.114 ( -3.675 4.423 0.000) 5.750 22.114 ( 3.675 4.423 0.000) 5.750 22.540 ( -6.088 -6.380 0.000) 8.819 22.540 ( 6.088 -6.380 0.000) 8.819 23.151 ( -6.520 11.081 0.000) 12.857 23.151 ( 6.520 11.081 0.000) 12.857 23.612 ( -5.735 1.511 0.000) 5.931 23.612 ( 5.735 1.511 0.000) 5.931 23.929 ( -18.030 0.860 0.000) 18.051 23.929 ( 18.030 0.860 0.000) 18.051 24.742 ( -5.709 -13.684 0.000) 14.828 24.742 ( 5.709 -13.684 0.000) 14.828 25.254 ( -5.329 9.462 0.000) 10.859 25.254 ( 5.329 9.462 0.000) 10.859 26.200 ( -13.736 -5.722 0.000) 14.880 26.200 ( 13.736 -5.722 0.000) 14.880 ======================= Grid point 16 (8/20) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 31.840 31.840 0.000) 45.029 3.727 ( 40.391 40.391 0.000) 57.121 4.565 ( -29.669 -29.669 0.000) 41.959 4.845 ( -26.420 -26.420 0.000) 37.364 5.314 ( -10.573 -10.573 0.000) 14.953 5.422 ( -30.921 -30.921 0.000) 43.728 5.699 ( 56.330 56.330 0.000) 79.663 6.064 ( -6.029 -6.029 0.000) 8.527 6.564 ( -0.196 -0.196 0.000) 0.277 6.658 ( -19.873 -19.873 0.000) 28.105 6.804 ( -3.274 -3.274 0.000) 4.631 6.919 ( -7.123 -7.123 0.000) 10.073 7.023 ( -12.015 -12.015 0.000) 16.991 7.076 ( -8.613 -8.613 0.000) 12.180 7.148 ( 2.995 2.995 0.000) 4.236 7.245 ( -3.136 -3.136 0.000) 4.435 7.283 ( -18.170 -18.170 0.000) 25.696 7.519 ( -18.006 -18.006 0.000) 25.465 7.521 ( -19.079 -19.079 0.000) 26.982 7.609 ( -6.753 -6.753 0.000) 9.550 7.755 ( -8.786 -8.786 0.000) 12.426 8.063 ( -4.448 -4.448 0.000) 6.290 8.206 ( 0.022 0.022 0.000) 0.031 8.319 ( 0.512 0.512 0.000) 0.725 8.421 ( -2.258 -2.258 0.000) 3.193 8.497 ( -3.898 -3.898 0.000) 5.513 8.636 ( 4.319 4.319 0.000) 6.108 8.836 ( 1.923 1.923 0.000) 2.720 8.921 ( 0.848 0.848 0.000) 1.199 8.923 ( 2.017 2.017 0.000) 2.852 9.187 ( -0.058 -0.058 0.000) 0.082 9.190 ( -0.175 -0.175 0.000) 0.247 9.419 ( 8.110 8.110 0.000) 11.470 9.509 ( -4.555 -4.555 0.000) 6.442 9.580 ( 5.747 5.747 0.000) 8.127 9.659 ( 5.087 5.087 0.000) 7.194 9.738 ( -5.708 -5.708 0.000) 8.072 9.796 ( 5.618 5.618 0.000) 7.945 9.868 ( -11.113 -11.113 0.000) 15.716 10.047 ( -3.695 -3.695 0.000) 5.226 10.085 ( -2.402 -2.402 0.000) 3.397 10.142 ( -3.074 -3.074 0.000) 4.347 10.192 ( -4.641 -4.641 0.000) 6.563 10.256 ( -3.443 -3.443 0.000) 4.869 10.410 ( -8.408 -8.408 0.000) 11.890 10.419 ( -8.200 -8.200 0.000) 11.597 10.640 ( 2.198 2.198 0.000) 3.108 10.756 ( 2.252 2.252 0.000) 3.184 10.851 ( 1.190 1.190 0.000) 1.683 10.944 ( 1.520 1.520 0.000) 2.149 11.021 ( -2.116 -2.116 0.000) 2.992 11.112 ( 0.577 0.577 0.000) 0.817 11.133 ( 2.118 2.118 0.000) 2.995 11.240 ( 1.477 1.477 0.000) 2.089 11.420 ( 5.851 5.851 0.000) 8.275 11.434 ( 1.190 1.190 0.000) 1.682 11.446 ( 1.501 1.501 0.000) 2.122 11.538 ( -2.194 -2.194 0.000) 3.103 11.588 ( 3.268 3.268 0.000) 4.622 11.681 ( 0.011 0.011 0.000) 0.016 11.699 ( -3.824 -3.824 0.000) 5.408 11.825 ( 16.117 16.117 0.000) 22.793 11.905 ( 4.110 4.110 0.000) 5.813 11.931 ( 7.126 7.126 0.000) 10.078 12.225 ( 11.540 11.540 0.000) 16.320 12.405 ( 10.453 10.453 0.000) 14.783 12.445 ( 0.728 0.728 0.000) 1.030 12.555 ( 4.875 4.875 0.000) 6.894 12.646 ( 9.068 9.068 0.000) 12.824 12.714 ( 4.046 4.046 0.000) 5.721 12.790 ( 0.963 0.963 0.000) 1.362 12.906 ( 12.545 12.545 0.000) 17.741 13.173 ( 11.391 11.391 0.000) 16.109 13.195 ( 1.985 1.985 0.000) 2.807 13.474 ( -1.281 -1.281 0.000) 1.812 13.475 ( -4.352 -4.352 0.000) 6.155 13.579 ( 8.342 8.342 0.000) 11.798 13.701 ( -2.155 -2.155 0.000) 3.048 14.017 ( 5.719 5.719 0.000) 8.088 14.051 ( 7.587 7.587 0.000) 10.729 14.134 ( -2.064 -2.064 0.000) 2.919 14.208 ( 6.413 6.413 0.000) 9.070 14.339 ( 7.212 7.212 0.000) 10.199 14.462 ( 5.799 5.799 0.000) 8.200 14.510 ( 0.382 0.382 0.000) 0.540 14.552 ( 6.128 6.128 0.000) 8.667 14.649 ( 2.049 2.049 0.000) 2.898 14.664 ( 5.454 5.454 0.000) 7.712 14.772 ( 0.069 0.069 0.000) 0.098 14.800 ( 3.713 3.713 0.000) 5.250 14.870 ( -5.755 -5.755 0.000) 8.139 14.969 ( 3.249 3.249 0.000) 4.595 15.062 ( -8.843 -8.843 0.000) 12.506 15.094 ( -1.905 -1.905 0.000) 2.694 15.175 ( -5.267 -5.267 0.000) 7.448 15.230 ( -5.943 -5.943 0.000) 8.405 15.382 ( -6.423 -6.423 0.000) 9.084 15.421 ( -4.000 -4.000 0.000) 5.657 15.590 ( -1.447 -1.447 0.000) 2.047 15.733 ( -0.562 -0.562 0.000) 0.795 15.760 ( 0.910 0.910 0.000) 1.286 15.805 ( -5.383 -5.383 0.000) 7.613 15.866 ( -9.096 -9.096 0.000) 12.864 15.923 ( -3.238 -3.238 0.000) 4.579 16.147 ( -2.989 -2.989 0.000) 4.227 16.226 ( -6.923 -6.923 0.000) 9.790 16.460 ( 4.452 4.452 0.000) 6.295 16.607 ( 7.491 7.491 0.000) 10.594 16.620 ( 1.907 1.907 0.000) 2.697 16.853 ( -3.495 -3.495 0.000) 4.943 16.948 ( 0.216 0.216 0.000) 0.305 16.998 ( -1.206 -1.206 0.000) 1.705 17.131 ( 0.793 0.793 0.000) 1.122 17.277 ( 1.268 1.268 0.000) 1.793 17.344 ( 6.906 6.906 0.000) 9.767 17.540 ( 3.849 3.849 0.000) 5.443 17.636 ( 9.407 9.407 0.000) 13.303 17.771 ( 6.207 6.207 0.000) 8.778 17.862 ( 5.449 5.449 0.000) 7.706 17.960 ( -6.056 -6.056 0.000) 8.565 18.033 ( -4.195 -4.195 0.000) 5.933 18.052 ( 7.520 7.520 0.000) 10.635 18.187 ( -5.060 -5.060 0.000) 7.156 18.453 ( 2.734 2.734 0.000) 3.866 18.512 ( -7.166 -7.166 0.000) 10.134 18.749 ( -4.977 -4.977 0.000) 7.039 18.788 ( -3.863 -3.863 0.000) 5.464 18.965 ( -5.668 -5.668 0.000) 8.016 19.024 ( 1.063 1.063 0.000) 1.503 19.031 ( -2.593 -2.593 0.000) 3.667 19.106 ( -0.289 -0.289 0.000) 0.409 19.150 ( -3.072 -3.072 0.000) 4.345 19.168 ( -3.248 -3.248 0.000) 4.593 19.202 ( -3.411 -3.411 0.000) 4.824 19.261 ( -2.430 -2.430 0.000) 3.437 19.439 ( -1.310 -1.310 0.000) 1.853 19.624 ( 1.885 1.885 0.000) 2.666 19.703 ( -1.098 -1.098 0.000) 1.553 19.874 ( -3.007 -3.007 0.000) 4.252 19.909 ( -2.755 -2.755 0.000) 3.896 20.179 ( 5.970 5.970 0.000) 8.443 20.505 ( -3.682 -3.682 0.000) 5.207 21.000 ( 5.964 5.964 0.000) 8.435 21.179 ( -0.437 -0.437 0.000) 0.617 21.575 ( -0.347 -0.347 0.000) 0.491 21.582 ( 2.060 2.060 0.000) 2.914 21.706 ( -0.846 -0.846 0.000) 1.196 21.720 ( 0.632 0.632 0.000) 0.893 21.743 ( 0.448 0.448 0.000) 0.634 21.797 ( -3.629 -3.629 0.000) 5.132 21.868 ( -1.319 -1.319 0.000) 1.865 21.986 ( -3.621 -3.621 0.000) 5.121 22.121 ( 6.338 6.338 0.000) 8.964 22.319 ( 1.337 1.337 0.000) 1.890 22.378 ( 1.348 1.348 0.000) 1.906 22.489 ( -4.571 -4.571 0.000) 6.464 23.189 ( 11.870 11.870 0.000) 16.786 23.402 ( 7.158 7.158 0.000) 10.123 23.525 ( 3.510 3.510 0.000) 4.963 23.697 ( -0.775 -0.775 0.000) 1.097 23.713 ( 9.835 9.835 0.000) 13.908 24.207 ( -7.495 -7.495 0.000) 10.600 24.449 ( -6.002 -6.002 0.000) 8.488 24.649 ( -11.706 -11.706 0.000) 16.555 25.299 ( 6.552 6.552 0.000) 9.266 25.481 ( 1.311 1.311 0.000) 1.854 25.912 ( 2.693 2.693 0.000) 3.809 26.286 ( -11.057 -11.057 0.000) 15.637 ======================= Grid point 17 (9/20) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.546 ( -50.800 6.287 0.000) 51.187 3.546 ( 50.800 6.287 0.000) 51.187 4.574 ( -33.000 13.456 0.000) 35.638 4.574 ( 33.000 13.456 0.000) 35.638 4.962 ( -9.647 -30.215 0.000) 31.717 4.962 ( 9.647 -30.215 0.000) 31.717 6.246 ( -15.629 -17.773 0.000) 23.668 6.246 ( 15.629 -17.773 0.000) 23.668 6.598 ( -18.535 -2.303 0.000) 18.677 6.598 ( 18.535 -2.303 0.000) 18.677 6.842 ( -14.926 2.080 0.000) 15.071 6.842 ( 14.926 2.080 0.000) 15.071 6.917 ( -15.586 -7.276 0.000) 17.200 6.917 ( 15.586 -7.276 0.000) 17.200 7.005 ( -3.254 -5.028 0.000) 5.989 7.005 ( 3.254 -5.028 0.000) 5.989 7.254 ( -4.768 -13.341 0.000) 14.167 7.254 ( 4.768 -13.341 0.000) 14.167 7.501 ( -19.457 9.731 0.000) 21.755 7.501 ( 19.457 9.731 0.000) 21.755 7.622 ( -3.414 -5.557 0.000) 6.521 7.622 ( 3.414 -5.557 0.000) 6.521 8.248 ( -3.237 2.472 0.000) 4.073 8.248 ( 3.237 2.472 0.000) 4.073 8.442 ( -7.179 -6.313 0.000) 9.560 8.442 ( 7.179 -6.313 0.000) 9.560 8.738 ( -5.958 8.168 0.000) 10.110 8.738 ( 5.958 8.168 0.000) 10.110 9.054 ( -2.175 4.035 0.000) 4.584 9.054 ( 2.175 4.035 0.000) 4.584 9.256 ( -12.872 -0.436 0.000) 12.880 9.256 ( 12.872 -0.436 0.000) 12.880 9.454 ( -16.152 -9.568 0.000) 18.773 9.454 ( 16.152 -9.568 0.000) 18.773 9.599 ( -5.868 0.957 0.000) 5.945 9.599 ( 5.868 0.957 0.000) 5.945 9.792 ( -7.757 -5.572 0.000) 9.550 9.792 ( 7.757 -5.572 0.000) 9.550 9.981 ( -9.111 -4.256 0.000) 10.056 9.981 ( 9.111 -4.256 0.000) 10.056 10.015 ( -5.163 -4.001 0.000) 6.532 10.015 ( 5.163 -4.001 0.000) 6.532 10.141 ( -2.103 -8.238 0.000) 8.502 10.141 ( 2.103 -8.238 0.000) 8.502 10.318 ( -2.238 -10.563 0.000) 10.798 10.318 ( 2.238 -10.563 0.000) 10.798 10.745 ( -4.324 4.283 0.000) 6.086 10.745 ( 4.324 4.283 0.000) 6.086 10.892 ( -4.858 2.656 0.000) 5.536 10.892 ( 4.858 2.656 0.000) 5.536 11.032 ( -4.062 0.217 0.000) 4.068 11.032 ( 4.062 0.217 0.000) 4.068 11.295 ( -4.166 5.914 0.000) 7.234 11.295 ( 4.166 5.914 0.000) 7.234 11.427 ( -1.907 1.958 0.000) 2.733 11.427 ( 1.907 1.958 0.000) 2.733 11.487 ( -4.581 0.045 0.000) 4.582 11.487 ( 4.581 0.045 0.000) 4.582 11.622 ( -4.389 4.908 0.000) 6.584 11.622 ( 4.389 4.908 0.000) 6.584 11.748 ( -7.066 -0.137 0.000) 7.067 11.748 ( 7.066 -0.137 0.000) 7.067 12.240 ( -7.223 15.276 0.000) 16.898 12.240 ( 7.223 15.276 0.000) 16.898 12.292 ( -7.621 10.404 0.000) 12.897 12.292 ( 7.621 10.404 0.000) 12.897 12.514 ( -11.530 15.832 0.000) 19.585 12.514 ( 11.530 15.832 0.000) 19.585 12.696 ( -3.415 2.734 0.000) 4.374 12.696 ( 3.415 2.734 0.000) 4.374 13.085 ( -10.568 2.528 0.000) 10.866 13.085 ( 10.568 2.528 0.000) 10.866 13.240 ( -9.782 -1.723 0.000) 9.933 13.240 ( 9.782 -1.723 0.000) 9.933 13.341 ( -3.876 1.257 0.000) 4.075 13.341 ( 3.876 1.257 0.000) 4.075 13.780 ( -4.236 4.046 0.000) 5.857 13.780 ( 4.236 4.046 0.000) 5.857 13.986 ( -2.064 5.722 0.000) 6.083 13.986 ( 2.064 5.722 0.000) 6.083 14.242 ( -8.010 12.718 0.000) 15.030 14.242 ( 8.010 12.718 0.000) 15.030 14.449 ( -4.074 12.054 0.000) 12.724 14.449 ( 4.074 12.054 0.000) 12.724 14.586 ( -7.270 2.646 0.000) 7.737 14.586 ( 7.270 2.646 0.000) 7.737 14.677 ( -3.726 -0.006 0.000) 3.726 14.677 ( 3.726 -0.006 0.000) 3.726 14.800 ( -9.386 -11.247 0.000) 14.649 14.800 ( 9.386 -11.247 0.000) 14.649 14.943 ( -4.227 -11.753 0.000) 12.490 14.943 ( 4.227 -11.753 0.000) 12.490 15.002 ( -5.839 -10.467 0.000) 11.985 15.002 ( 5.839 -10.467 0.000) 11.985 15.143 ( -0.917 5.401 0.000) 5.479 15.143 ( 0.917 5.401 0.000) 5.479 15.382 ( -5.087 -6.986 0.000) 8.642 15.382 ( 5.087 -6.986 0.000) 8.642 15.564 ( -8.287 0.820 0.000) 8.327 15.564 ( 8.287 0.820 0.000) 8.327 15.768 ( -1.011 -11.199 0.000) 11.244 15.768 ( 1.011 -11.199 0.000) 11.244 15.817 ( -5.909 -9.202 0.000) 10.936 15.817 ( 5.909 -9.202 0.000) 10.936 16.218 ( -4.604 3.795 0.000) 5.966 16.218 ( 4.604 3.795 0.000) 5.966 16.567 ( -4.633 7.008 0.000) 8.401 16.567 ( 4.633 7.008 0.000) 8.401 16.783 ( -3.901 0.166 0.000) 3.905 16.783 ( 3.901 0.166 0.000) 3.905 16.935 ( -2.653 0.226 0.000) 2.662 16.935 ( 2.653 0.226 0.000) 2.662 17.184 ( -5.895 -2.957 0.000) 6.595 17.184 ( 5.895 -2.957 0.000) 6.595 17.528 ( -7.033 0.997 0.000) 7.103 17.528 ( 7.033 0.997 0.000) 7.103 17.791 ( -4.996 5.419 0.000) 7.371 17.791 ( 4.996 5.419 0.000) 7.371 17.941 ( -1.421 4.581 0.000) 4.796 17.941 ( 1.421 4.581 0.000) 4.796 18.029 ( -4.088 8.656 0.000) 9.573 18.029 ( 4.088 8.656 0.000) 9.573 18.264 ( -10.518 -0.273 0.000) 10.522 18.264 ( 10.518 -0.273 0.000) 10.522 18.583 ( -8.267 -1.392 0.000) 8.384 18.583 ( 8.267 -1.392 0.000) 8.384 18.821 ( -5.055 -9.330 0.000) 10.611 18.821 ( 5.055 -9.330 0.000) 10.611 19.037 ( -1.541 -0.792 0.000) 1.732 19.037 ( 1.541 -0.792 0.000) 1.732 19.095 ( -2.508 -1.219 0.000) 2.789 19.095 ( 2.508 -1.219 0.000) 2.789 19.154 ( -2.233 -4.874 0.000) 5.361 19.154 ( 2.233 -4.874 0.000) 5.361 19.321 ( -7.474 -4.245 0.000) 8.595 19.321 ( 7.474 -4.245 0.000) 8.595 19.665 ( -1.981 3.837 0.000) 4.318 19.665 ( 1.981 3.837 0.000) 4.318 19.856 ( -1.672 -2.535 0.000) 3.036 19.856 ( 1.672 -2.535 0.000) 3.036 20.371 ( -8.935 0.648 0.000) 8.958 20.371 ( 8.935 0.648 0.000) 8.958 21.118 ( -4.770 2.210 0.000) 5.257 21.118 ( 4.770 2.210 0.000) 5.257 21.590 ( -1.087 2.756 0.000) 2.963 21.590 ( 1.087 2.756 0.000) 2.963 21.727 ( -2.360 -1.485 0.000) 2.788 21.727 ( 2.360 -1.485 0.000) 2.788 21.736 ( -0.898 -0.598 0.000) 1.080 21.736 ( 0.898 -0.598 0.000) 1.080 21.897 ( -3.839 -4.050 0.000) 5.580 21.897 ( 3.839 -4.050 0.000) 5.580 22.252 ( -5.604 6.988 0.000) 8.958 22.252 ( 5.604 6.988 0.000) 8.958 22.433 ( -2.268 -3.650 0.000) 4.297 22.433 ( 2.268 -3.650 0.000) 4.297 23.395 ( -6.530 11.007 0.000) 12.798 23.395 ( 6.530 11.007 0.000) 12.798 23.633 ( -5.211 -0.103 0.000) 5.212 23.633 ( 5.211 -0.103 0.000) 5.212 23.967 ( -13.238 2.729 0.000) 13.517 23.967 ( 13.238 2.729 0.000) 13.517 24.459 ( -5.600 -12.329 0.000) 13.541 24.459 ( 5.600 -12.329 0.000) 13.541 25.426 ( -5.213 6.633 0.000) 8.436 25.426 ( 5.213 6.633 0.000) 8.436 26.056 ( -9.920 -6.876 0.000) 12.070 26.056 ( 9.920 -6.876 0.000) 12.070 ======================= Grid point 27 (10/20) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 3.826 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.942 ( -0.000 -0.000 0.000) 0.000 5.942 ( 0.000 0.000 0.000) 0.000 6.532 ( 0.000 0.000 0.000) 0.000 6.532 ( 0.000 0.000 0.000) 0.000 6.654 ( -0.000 -0.000 0.000) 0.000 6.654 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 6.963 ( 0.000 0.000 0.000) 0.000 6.963 ( 0.000 0.000 0.000) 0.000 7.151 ( 0.000 0.000 0.000) 0.000 7.151 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 7.968 ( 0.000 0.000 0.000) 0.000 7.968 ( 0.000 0.000 0.000) 0.000 8.192 ( -0.000 -0.000 0.000) 0.000 8.192 ( 0.000 0.000 0.000) 0.000 8.331 ( 0.000 0.000 0.000) 0.000 8.331 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 9.001 ( -0.000 -0.000 0.000) 0.000 9.001 ( 0.000 0.000 0.000) 0.000 9.103 ( 0.000 0.000 0.000) 0.000 9.103 ( 0.000 0.000 0.000) 0.000 9.360 ( 0.000 0.000 0.000) 0.000 9.360 ( 0.000 0.000 0.000) 0.000 9.711 ( 0.000 0.000 0.000) 0.000 9.711 ( 0.000 0.000 0.000) 0.000 9.728 ( -0.000 -0.000 0.000) 0.000 9.728 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 9.941 ( 0.000 0.000 0.000) 0.000 9.941 ( 0.000 0.000 0.000) 0.000 10.076 ( 0.000 0.000 0.000) 0.000 10.076 ( 0.000 0.000 0.000) 0.000 10.202 ( 0.000 0.000 0.000) 0.000 10.202 ( 0.000 0.000 0.000) 0.000 10.800 ( 0.000 0.000 0.000) 0.000 10.800 ( 0.000 0.000 0.000) 0.000 10.914 ( 0.000 0.000 0.000) 0.000 10.914 ( 0.000 0.000 0.000) 0.000 11.050 ( 0.000 0.000 0.000) 0.000 11.050 ( 0.000 0.000 0.000) 0.000 11.422 ( 0.000 0.000 0.000) 0.000 11.422 ( 0.000 0.000 0.000) 0.000 11.467 ( -0.000 -0.000 0.000) 0.000 11.467 ( -0.000 -0.000 0.000) 0.000 11.472 ( 0.000 0.000 0.000) 0.000 11.472 ( 0.000 0.000 0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 11.979 ( 0.000 0.000 0.000) 0.000 11.979 ( 0.000 0.000 0.000) 0.000 12.114 ( -0.000 -0.000 0.000) 0.000 12.114 ( 0.000 0.000 0.000) 0.000 12.642 ( -0.000 -0.000 0.000) 0.000 12.642 ( 0.000 0.000 0.000) 0.000 12.647 ( -0.000 -0.000 0.000) 0.000 12.647 ( 0.000 0.000 0.000) 0.000 12.873 ( 0.000 0.000 0.000) 0.000 12.873 ( 0.000 0.000 0.000) 0.000 12.912 ( -0.000 -0.000 0.000) 0.000 12.912 ( 0.000 0.000 0.000) 0.000 13.316 ( -0.000 -0.000 0.000) 0.000 13.316 ( 0.000 0.000 0.000) 0.000 13.318 ( -0.000 -0.000 0.000) 0.000 13.318 ( 0.000 0.000 0.000) 0.000 13.907 ( 0.000 0.000 0.000) 0.000 13.907 ( 0.000 0.000 0.000) 0.000 14.069 ( -0.000 -0.000 0.000) 0.000 14.069 ( 0.000 0.000 0.000) 0.000 14.302 ( -0.000 -0.000 0.000) 0.000 14.302 ( 0.000 0.000 0.000) 0.000 14.571 ( 0.000 0.000 0.000) 0.000 14.571 ( 0.000 0.000 0.000) 0.000 14.603 ( 0.000 0.000 0.000) 0.000 14.603 ( 0.000 0.000 0.000) 0.000 14.654 ( -0.000 -0.000 0.000) 0.000 14.654 ( -0.000 -0.000 0.000) 0.000 14.721 ( 0.000 0.000 0.000) 0.000 14.721 ( 0.000 0.000 0.000) 0.000 14.729 ( -0.000 -0.000 0.000) 0.000 14.729 ( 0.000 0.000 0.000) 0.000 14.880 ( -0.000 -0.000 0.000) 0.000 14.880 ( 0.000 0.000 0.000) 0.000 15.199 ( 0.000 0.000 0.000) 0.000 15.199 ( 0.000 0.000 0.000) 0.000 15.338 ( 0.000 0.000 0.000) 0.000 15.338 ( 0.000 0.000 0.000) 0.000 15.599 ( -0.000 -0.000 0.000) 0.000 15.599 ( 0.000 0.000 0.000) 0.000 15.606 ( -0.000 -0.000 0.000) 0.000 15.606 ( 0.000 0.000 0.000) 0.000 15.701 ( -0.000 -0.000 0.000) 0.000 15.701 ( 0.000 0.000 0.000) 0.000 16.363 ( 0.000 0.000 0.000) 0.000 16.363 ( 0.000 0.000 0.000) 0.000 16.693 ( 0.000 0.000 0.000) 0.000 16.693 ( 0.000 0.000 0.000) 0.000 16.787 ( 0.000 0.000 0.000) 0.000 16.787 ( 0.000 0.000 0.000) 0.000 16.837 ( -0.000 -0.000 0.000) 0.000 16.837 ( 0.000 0.000 0.000) 0.000 17.132 ( 0.000 0.000 0.000) 0.000 17.132 ( 0.000 0.000 0.000) 0.000 17.547 ( -0.000 -0.000 0.000) 0.000 17.547 ( 0.000 0.000 0.000) 0.000 17.852 ( 0.000 0.000 0.000) 0.000 17.852 ( 0.000 0.000 0.000) 0.000 18.022 ( -0.000 -0.000 0.000) 0.000 18.022 ( 0.000 0.000 0.000) 0.000 18.195 ( -0.000 -0.000 0.000) 0.000 18.195 ( 0.000 0.000 0.000) 0.000 18.199 ( -0.000 -0.000 0.000) 0.000 18.199 ( -0.000 -0.000 0.000) 0.000 18.559 ( 0.000 0.000 0.000) 0.000 18.559 ( 0.000 0.000 0.000) 0.000 18.691 ( -0.000 -0.000 0.000) 0.000 18.691 ( 0.000 0.000 0.000) 0.000 19.028 ( 0.000 0.000 0.000) 0.000 19.028 ( 0.000 0.000 0.000) 0.000 19.071 ( -0.000 -0.000 0.000) 0.000 19.071 ( 0.000 0.000 0.000) 0.000 19.114 ( -0.000 -0.000 0.000) 0.000 19.114 ( 0.000 0.000 0.000) 0.000 19.262 ( 0.000 0.000 0.000) 0.000 19.262 ( 0.000 0.000 0.000) 0.000 19.721 ( 0.000 0.000 0.000) 0.000 19.721 ( 0.000 0.000 0.000) 0.000 19.806 ( -0.000 -0.000 0.000) 0.000 19.806 ( 0.000 0.000 0.000) 0.000 20.396 ( 0.000 0.000 0.000) 0.000 20.396 ( 0.000 0.000 0.000) 0.000 21.132 ( 0.000 0.000 0.000) 0.000 21.132 ( 0.000 0.000 0.000) 0.000 21.646 ( 0.000 0.000 0.000) 0.000 21.646 ( 0.000 0.000 0.000) 0.000 21.713 ( 0.000 0.000 0.000) 0.000 21.713 ( 0.000 0.000 0.000) 0.000 21.726 ( 0.000 0.000 0.000) 0.000 21.726 ( 0.000 0.000 0.000) 0.000 21.827 ( 0.000 0.000 0.000) 0.000 21.827 ( 0.000 0.000 0.000) 0.000 22.361 ( -0.000 -0.000 0.000) 0.000 22.361 ( 0.000 0.000 0.000) 0.000 22.368 ( -0.000 -0.000 0.000) 0.000 22.368 ( 0.000 0.000 0.000) 0.000 23.562 ( 0.000 0.000 0.000) 0.000 23.562 ( 0.000 0.000 0.000) 0.000 23.594 ( 0.000 0.000 0.000) 0.000 23.594 ( 0.000 0.000 0.000) 0.000 24.016 ( 0.000 0.000 0.000) 0.000 24.016 ( 0.000 0.000 0.000) 0.000 24.298 ( 0.000 0.000 0.000) 0.000 24.298 ( 0.000 0.000 0.000) 0.000 25.506 ( 0.000 0.000 0.000) 0.000 25.506 ( 0.000 0.000 0.000) 0.000 25.969 ( 0.000 0.000 0.000) 0.000 25.969 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 57 (11/20) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 28.970 28.970 28.970) 50.177 1.948 ( 28.036 28.036 28.036) 48.560 3.772 ( 57.604 57.604 57.604) 99.772 5.729 ( -15.789 -15.789 -15.789) 27.348 5.793 ( -12.031 -12.031 -12.031) 20.838 5.950 ( -14.449 -14.449 -14.449) 25.026 6.094 ( -15.414 -15.414 -15.414) 26.697 6.316 ( -15.444 -15.444 -15.444) 26.750 6.360 ( -9.790 -9.790 -9.790) 16.958 6.783 ( -10.411 -10.411 -10.411) 18.032 6.799 ( -8.228 -8.228 -8.228) 14.252 6.883 ( -8.084 -8.084 -8.084) 14.002 7.354 ( -5.540 -5.540 -5.540) 9.596 7.444 ( -9.617 -9.617 -9.617) 16.658 7.457 ( -0.257 -0.257 -0.257) 0.444 7.506 ( -8.880 -8.880 -8.880) 15.381 7.519 ( -2.082 -2.082 -2.082) 3.606 7.697 ( -3.419 -3.419 -3.419) 5.921 7.971 ( -7.426 -7.426 -7.426) 12.863 7.973 ( -13.241 -13.241 -13.241) 22.934 8.096 ( -14.193 -14.193 -14.193) 24.584 8.144 ( 6.577 6.577 6.577) 11.392 8.280 ( -3.216 -3.216 -3.216) 5.571 8.521 ( 0.339 0.339 0.339) 0.587 8.569 ( 2.446 2.446 2.446) 4.237 8.573 ( 7.342 7.342 7.342) 12.716 8.858 ( 2.598 2.598 2.598) 4.500 9.060 ( 4.285 4.285 4.285) 7.421 9.136 ( -9.968 -9.968 -9.968) 17.264 9.152 ( -3.165 -3.165 -3.165) 5.481 9.231 ( -11.672 -11.672 -11.672) 20.216 9.312 ( -3.189 -3.189 -3.189) 5.524 9.331 ( -0.542 -0.542 -0.542) 0.938 9.353 ( -9.810 -9.810 -9.810) 16.991 9.500 ( -3.534 -3.534 -3.534) 6.120 9.656 ( -1.979 -1.979 -1.979) 3.428 9.720 ( 2.434 2.434 2.434) 4.216 9.787 ( -0.517 -0.517 -0.517) 0.895 9.941 ( -4.589 -4.589 -4.589) 7.948 9.952 ( -11.039 -11.039 -11.039) 19.120 10.119 ( -4.665 -4.665 -4.665) 8.080 10.221 ( -4.365 -4.365 -4.365) 7.561 10.352 ( 2.208 2.208 2.208) 3.825 10.375 ( 0.925 0.925 0.925) 1.603 10.458 ( -6.713 -6.713 -6.713) 11.628 10.664 ( -0.785 -0.785 -0.785) 1.360 10.719 ( 5.699 5.699 5.699) 9.872 10.731 ( 1.656 1.656 1.656) 2.868 10.775 ( 0.688 0.688 0.688) 1.192 10.817 ( 2.200 2.200 2.200) 3.811 10.913 ( -1.015 -1.015 -1.015) 1.757 10.946 ( 3.232 3.232 3.232) 5.597 11.187 ( 7.462 7.462 7.462) 12.924 11.201 ( 0.578 0.578 0.578) 1.001 11.333 ( 3.469 3.469 3.469) 6.008 11.383 ( 1.691 1.691 1.691) 2.929 11.449 ( 1.422 1.422 1.422) 2.463 11.554 ( -1.163 -1.163 -1.163) 2.014 11.581 ( -1.410 -1.410 -1.410) 2.442 11.640 ( 0.468 0.468 0.468) 0.811 11.653 ( -6.425 -6.425 -6.425) 11.129 11.676 ( -0.313 -0.313 -0.313) 0.542 11.749 ( 4.988 4.988 4.988) 8.640 11.862 ( 3.355 3.355 3.355) 5.812 12.064 ( 7.895 7.895 7.895) 13.674 12.135 ( 11.656 11.656 11.656) 20.189 12.171 ( 8.172 8.172 8.172) 14.153 12.307 ( 5.038 5.038 5.038) 8.725 12.318 ( 17.201 17.201 17.201) 29.794 12.505 ( 4.214 4.214 4.214) 7.300 12.564 ( 10.262 10.262 10.262) 17.773 12.857 ( 3.112 3.112 3.112) 5.389 12.860 ( 11.135 11.135 11.135) 19.286 13.175 ( 6.154 6.154 6.154) 10.660 13.227 ( 10.542 10.542 10.542) 18.260 13.229 ( 3.620 3.620 3.620) 6.270 13.380 ( 3.454 3.454 3.454) 5.982 13.721 ( 4.756 4.756 4.756) 8.238 13.815 ( -0.687 -0.687 -0.687) 1.189 13.862 ( 7.583 7.583 7.583) 13.134 14.138 ( -2.226 -2.226 -2.226) 3.856 14.194 ( 2.508 2.508 2.508) 4.343 14.220 ( 5.266 5.266 5.266) 9.120 14.341 ( 5.774 5.774 5.774) 10.001 14.355 ( -1.134 -1.134 -1.134) 1.964 14.407 ( -8.123 -8.123 -8.123) 14.069 14.449 ( 0.719 0.719 0.719) 1.246 14.501 ( 5.237 5.237 5.237) 9.071 14.614 ( 0.986 0.986 0.986) 1.708 14.876 ( -3.885 -3.885 -3.885) 6.729 14.880 ( -0.426 -0.426 -0.426) 0.738 15.066 ( -2.476 -2.476 -2.476) 4.289 15.160 ( 0.395 0.395 0.395) 0.684 15.167 ( -0.715 -0.715 -0.715) 1.239 15.378 ( 0.896 0.896 0.896) 1.553 15.396 ( -0.757 -0.757 -0.757) 1.311 15.465 ( -1.799 -1.799 -1.799) 3.116 15.559 ( 2.567 2.567 2.567) 4.446 15.594 ( -4.685 -4.685 -4.685) 8.114 15.651 ( -1.151 -1.151 -1.151) 1.993 15.668 ( 3.189 3.189 3.189) 5.524 15.730 ( 2.118 2.118 2.118) 3.669 16.085 ( 2.428 2.428 2.428) 4.206 16.158 ( -6.896 -6.896 -6.896) 11.944 16.254 ( -5.793 -5.793 -5.793) 10.033 16.300 ( 0.071 0.071 0.071) 0.124 16.427 ( -7.737 -7.737 -7.737) 13.402 16.528 ( 2.553 2.553 2.553) 4.421 16.743 ( 5.021 5.021 5.021) 8.697 16.793 ( 3.590 3.590 3.590) 6.218 16.800 ( -0.661 -0.661 -0.661) 1.145 16.933 ( 3.353 3.353 3.353) 5.808 16.936 ( 5.782 5.782 5.782) 10.014 17.221 ( 1.578 1.578 1.578) 2.733 17.286 ( 6.151 6.151 6.151) 10.653 17.409 ( -4.733 -4.733 -4.733) 8.198 17.496 ( -0.277 -0.277 -0.277) 0.481 17.639 ( -3.916 -3.916 -3.916) 6.783 17.788 ( -1.649 -1.649 -1.649) 2.856 17.892 ( 3.926 3.926 3.926) 6.800 18.101 ( -3.536 -3.536 -3.536) 6.125 18.382 ( -5.991 -5.991 -5.991) 10.377 18.396 ( -7.468 -7.468 -7.468) 12.934 18.489 ( 4.856 4.856 4.856) 8.411 18.620 ( -5.839 -5.839 -5.839) 10.113 18.811 ( -1.207 -1.207 -1.207) 2.091 18.934 ( -0.399 -0.399 -0.399) 0.691 19.023 ( -1.746 -1.746 -1.746) 3.023 19.085 ( 0.611 0.611 0.611) 1.058 19.095 ( -2.784 -2.784 -2.784) 4.822 19.109 ( 1.929 1.929 1.929) 3.341 19.259 ( 1.304 1.304 1.304) 2.259 19.279 ( -3.393 -3.393 -3.393) 5.876 19.305 ( -2.446 -2.446 -2.446) 4.237 19.347 ( -4.625 -4.625 -4.625) 8.010 19.466 ( 1.131 1.131 1.131) 1.958 19.481 ( -0.515 -0.515 -0.515) 0.892 19.708 ( 1.347 1.347 1.347) 2.332 19.989 ( -4.099 -4.099 -4.099) 7.099 20.019 ( -2.231 -2.231 -2.231) 3.865 20.326 ( -0.371 -0.371 -0.371) 0.643 20.369 ( -3.650 -3.650 -3.650) 6.322 20.845 ( 5.665 5.665 5.665) 9.811 21.192 ( 2.918 2.918 2.918) 5.054 21.526 ( 1.843 1.843 1.843) 3.192 21.615 ( -0.668 -0.668 -0.668) 1.158 21.631 ( 1.468 1.468 1.468) 2.542 21.691 ( 2.377 2.377 2.377) 4.116 21.861 ( -0.552 -0.552 -0.552) 0.955 21.870 ( -5.603 -5.603 -5.603) 9.706 21.918 ( -0.222 -0.222 -0.222) 0.384 22.027 ( -0.113 -0.113 -0.113) 0.196 22.054 ( 1.214 1.214 1.214) 2.103 22.321 ( -1.595 -1.595 -1.595) 2.763 22.383 ( -2.669 -2.669 -2.669) 4.622 22.560 ( -1.446 -1.446 -1.446) 2.505 22.805 ( 5.728 5.728 5.728) 9.921 23.114 ( 9.438 9.438 9.438) 16.347 23.338 ( 4.441 4.441 4.441) 7.691 23.367 ( 7.640 7.640 7.640) 13.232 23.714 ( 3.067 3.067 3.067) 5.312 24.547 ( -6.297 -6.297 -6.297) 10.906 24.562 ( -6.925 -6.925 -6.925) 11.995 24.992 ( -9.416 -9.416 -9.416) 16.309 25.141 ( 4.224 4.224 4.224) 7.317 25.471 ( 3.435 3.435 3.435) 5.949 25.751 ( 2.617 2.617 2.617) 4.532 26.635 ( -7.690 -7.690 -7.690) 13.320 ======================= Grid point 58 (12/20) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 51.427 10.517 10.517) 53.535 2.911 ( 51.919 10.862 10.862) 54.144 4.957 ( -45.554 0.894 0.894) 45.572 5.040 ( -43.356 1.496 1.496) 43.408 5.097 ( 55.280 39.801 39.801) 78.892 5.756 ( -2.992 -19.027 -19.027) 27.073 5.863 ( -7.761 -18.316 -18.316) 27.040 6.195 ( -10.101 -17.171 -17.171) 26.301 6.297 ( -3.161 -22.283 -22.283) 31.671 6.433 ( -8.787 -13.289 -13.289) 20.746 6.749 ( 11.999 -23.207 -23.207) 34.945 6.893 ( -1.452 -16.476 -16.476) 23.346 7.124 ( -11.284 -10.632 -10.632) 18.800 7.172 ( -10.772 -9.759 -9.759) 17.508 7.238 ( -12.114 -4.880 -4.880) 13.942 7.351 ( -18.349 -4.660 -4.660) 19.497 7.453 ( 1.535 -12.217 -12.217) 17.345 7.534 ( -20.404 -18.318 -18.318) 32.976 7.662 ( -8.021 -2.475 -2.475) 8.751 7.736 ( -7.310 -13.412 -13.412) 20.327 7.858 ( -12.406 -17.917 -17.917) 28.212 8.139 ( -39.833 15.857 15.857) 45.711 8.225 ( -4.463 8.047 8.047) 12.224 8.361 ( 1.568 8.241 8.241) 11.760 8.496 ( -3.412 3.362 3.362) 5.852 8.545 ( 2.841 13.146 13.146) 18.808 8.817 ( -15.138 0.432 0.432) 15.150 8.870 ( 9.478 4.945 4.945) 11.779 8.952 ( -9.227 2.299 2.299) 9.783 9.088 ( 4.017 -0.499 -0.499) 4.079 9.158 ( -6.650 2.331 2.331) 7.422 9.211 ( -0.163 -5.457 -5.457) 7.719 9.247 ( 7.027 8.136 8.136) 13.482 9.433 ( -1.264 -3.758 -3.758) 5.462 9.528 ( 3.927 -1.464 -1.464) 4.440 9.669 ( -2.545 -2.495 -2.495) 4.350 9.825 ( 3.076 -5.917 -5.917) 8.916 9.852 ( 11.221 0.548 0.548) 11.248 10.029 ( 2.464 -2.583 -2.583) 4.407 10.030 ( 1.692 -5.077 -5.077) 7.377 10.085 ( 10.468 -6.703 -6.703) 14.123 10.180 ( 6.161 0.026 0.026) 6.161 10.252 ( 0.467 1.272 1.272) 1.859 10.382 ( -1.823 2.981 2.981) 4.593 10.538 ( -2.505 2.779 2.779) 4.660 10.575 ( -0.158 1.412 1.412) 2.004 10.658 ( -0.220 -1.018 -1.018) 1.457 10.756 ( -1.268 2.027 2.027) 3.135 10.882 ( 3.404 0.651 0.651) 3.526 10.945 ( 0.551 2.513 2.513) 3.596 10.967 ( 3.220 -2.699 -2.699) 4.994 11.049 ( 6.798 1.332 1.332) 7.054 11.133 ( -1.441 4.954 4.954) 7.153 11.244 ( 4.473 -0.724 -0.724) 4.588 11.351 ( -3.048 3.810 3.810) 6.190 11.379 ( -4.445 -0.644 -0.644) 4.537 11.412 ( -2.834 -0.806 -0.806) 3.055 11.506 ( -0.844 -0.209 -0.209) 0.895 11.550 ( -1.772 -3.881 -3.881) 5.767 11.603 ( 2.504 1.800 1.800) 3.571 11.643 ( -2.022 -0.803 -0.803) 2.319 11.699 ( 2.842 3.653 3.653) 5.896 11.819 ( -2.043 3.678 3.678) 5.588 11.943 ( 1.142 5.451 5.451) 7.793 12.148 ( 2.583 10.748 10.748) 15.418 12.285 ( 6.890 13.067 13.067) 19.722 12.297 ( -3.371 2.542 2.542) 4.929 12.522 ( 14.688 6.548 6.548) 17.363 12.608 ( 2.108 13.777 13.777) 19.597 12.699 ( 1.191 2.242 2.242) 3.387 12.742 ( 16.717 2.591 2.591) 17.114 12.951 ( 17.119 7.475 7.475) 20.120 13.053 ( 3.459 3.397 3.397) 5.920 13.247 ( 6.755 4.044 4.044) 8.852 13.270 ( -2.894 5.469 5.469) 8.259 13.379 ( 1.358 4.121 4.121) 5.984 13.620 ( 9.705 7.581 7.581) 14.461 13.716 ( 1.704 7.404 7.404) 10.609 13.859 ( 4.360 2.674 2.674) 5.771 13.958 ( -10.094 -4.937 -4.937) 12.273 14.024 ( -2.823 5.062 5.062) 7.695 14.229 ( -5.308 5.960 5.960) 9.961 14.269 ( 3.365 0.150 0.150) 3.372 14.296 ( 6.484 6.303 6.303) 11.022 14.406 ( 3.741 3.851 3.851) 6.607 14.506 ( 1.666 5.434 5.434) 7.863 14.556 ( 6.722 -1.620 -1.620) 7.102 14.593 ( 1.058 -3.267 -3.267) 4.740 14.749 ( 10.275 -1.335 -1.335) 10.447 14.782 ( 2.113 -3.160 -3.160) 4.943 14.976 ( 5.913 -3.742 -3.742) 7.935 15.030 ( 0.302 -1.086 -1.086) 1.565 15.074 ( -2.501 -0.351 -0.351) 2.550 15.164 ( -5.168 -6.787 -6.787) 10.901 15.308 ( -5.365 1.914 1.914) 6.009 15.324 ( -4.652 -1.078 -1.078) 4.895 15.404 ( -0.570 -5.181 -5.181) 7.349 15.521 ( 0.217 -2.503 -2.503) 3.547 15.558 ( -2.736 2.097 2.097) 4.035 15.665 ( 2.481 -1.362 -1.362) 3.141 15.777 ( 4.537 -2.625 -2.625) 5.862 15.887 ( 7.027 0.674 0.674) 7.092 16.006 ( -5.665 -8.712 -8.712) 13.561 16.082 ( -0.181 -4.876 -4.876) 6.898 16.150 ( -5.422 -5.216 -5.216) 9.156 16.307 ( -0.357 -10.968 -10.968) 15.516 16.426 ( 4.081 0.289 0.289) 4.102 16.529 ( -0.831 -5.043 -5.043) 7.181 16.647 ( -2.859 -1.383 -1.383) 3.464 16.754 ( -0.850 3.339 3.339) 4.798 16.892 ( -0.336 4.223 4.223) 5.981 16.975 ( -5.481 0.219 0.219) 5.489 17.148 ( 10.734 0.725 0.725) 10.783 17.272 ( -2.491 0.612 0.612) 2.637 17.373 ( 10.397 2.417 2.417) 10.945 17.467 ( -0.649 3.345 3.345) 4.775 17.492 ( 10.970 3.310 3.310) 11.927 17.660 ( 5.084 -0.467 -0.467) 5.127 17.769 ( -0.380 5.304 5.304) 7.511 17.932 ( -8.203 -1.376 -1.376) 8.431 17.980 ( 1.294 5.995 5.995) 8.577 18.206 ( -9.751 -0.565 -0.565) 9.784 18.307 ( -3.147 -0.532 -0.532) 3.236 18.429 ( -5.811 4.349 4.349) 8.462 18.503 ( -4.321 -4.926 -4.926) 8.197 18.800 ( -5.208 1.353 1.353) 5.548 18.919 ( -1.441 -3.316 -3.316) 4.906 18.944 ( -1.240 -2.097 -2.097) 3.215 19.040 ( -0.843 -0.176 -0.176) 0.879 19.090 ( -0.952 1.126 1.126) 1.856 19.133 ( -2.548 -2.226 -2.226) 4.050 19.198 ( -2.443 -5.523 -5.523) 8.184 19.237 ( -0.576 -1.271 -1.271) 1.888 19.274 ( 0.063 -4.052 -4.052) 5.731 19.289 ( -0.455 -1.301 -1.301) 1.896 19.443 ( -1.464 -0.686 -0.686) 1.756 19.527 ( 1.372 -1.362 -1.362) 2.364 19.704 ( -6.532 0.251 0.251) 6.542 19.834 ( -2.213 2.584 2.584) 4.272 19.945 ( -2.995 -1.607 -1.607) 3.760 20.333 ( 3.269 -2.787 -2.787) 5.121 20.421 ( 1.271 -2.213 -2.213) 3.378 20.968 ( 6.087 5.794 5.794) 10.208 21.183 ( -3.010 4.587 4.587) 7.152 21.560 ( 1.081 1.876 1.876) 2.865 21.592 ( -1.077 -1.210 -1.210) 2.022 21.698 ( 4.419 0.369 0.369) 4.450 21.724 ( 0.152 1.476 1.476) 2.093 21.760 ( -3.506 -2.312 -2.312) 4.794 21.833 ( -0.270 -0.132 -0.132) 0.329 21.956 ( 0.646 0.155 0.155) 0.683 21.994 ( -1.430 2.463 2.463) 3.765 22.081 ( 0.952 1.182 1.182) 1.924 22.226 ( -7.055 2.701 2.701) 8.022 22.360 ( 3.469 -3.656 -3.656) 6.226 22.545 ( -2.230 -6.923 -6.923) 10.041 23.015 ( 12.278 6.020 6.020) 14.941 23.283 ( 4.038 8.294 8.294) 12.404 23.484 ( 7.995 -1.862 -1.862) 8.418 23.526 ( 7.394 3.149 3.149) 8.632 23.787 ( 4.196 6.690 6.690) 10.350 24.270 ( -14.623 -1.901 -1.901) 14.868 24.542 ( 0.684 -10.086 -10.086) 14.280 24.771 ( -10.074 -10.697 -10.697) 18.175 25.238 ( 4.850 6.142 6.142) 9.948 25.452 ( -4.038 6.536 6.536) 10.086 25.899 ( 10.251 -2.479 -2.479) 10.834 26.418 ( -12.312 -6.490 -6.490) 15.356 ======================= Grid point 59 (13/20) ======================= q-point: (-0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.749 ( -53.109 0.072 0.072) 53.109 3.749 ( 53.109 0.072 0.072) 53.109 4.026 ( -45.238 4.713 4.713) 45.726 4.026 ( 45.238 4.713 4.713) 45.726 5.763 ( -2.252 -20.326 -20.326) 28.833 5.763 ( 2.252 -20.326 -20.326) 28.833 6.027 ( -3.724 -14.088 -14.088) 20.269 6.027 ( 3.724 -14.088 -14.088) 20.269 6.401 ( -31.712 6.051 6.051) 32.846 6.401 ( 31.712 6.051 6.051) 32.846 6.807 ( -8.672 -0.063 -0.063) 8.673 6.807 ( 8.672 -0.063 -0.063) 8.673 7.034 ( -7.014 -9.114 -9.114) 14.675 7.034 ( 7.014 -9.114 -9.114) 14.675 7.090 ( -11.038 -15.311 -15.311) 24.304 7.090 ( 11.038 -15.311 -15.311) 24.304 7.229 ( -17.221 -13.015 -13.015) 25.206 7.229 ( 17.221 -13.015 -13.015) 25.206 7.591 ( -10.233 -15.293 -15.293) 23.926 7.591 ( 10.233 -15.293 -15.293) 23.926 7.729 ( -3.013 -9.066 -9.066) 13.171 7.729 ( 3.013 -9.066 -9.066) 13.171 8.252 ( -5.493 3.236 3.236) 7.150 8.252 ( 5.493 3.236 3.236) 7.150 8.560 ( -8.782 4.859 4.859) 11.151 8.560 ( 8.782 4.859 4.859) 11.151 8.742 ( -10.208 12.263 12.263) 20.124 8.742 ( 10.208 12.263 12.263) 20.124 9.035 ( -5.406 -0.039 -0.039) 5.406 9.035 ( 5.406 -0.039 -0.039) 5.406 9.204 ( -3.291 -0.620 -0.620) 3.405 9.204 ( 3.291 -0.620 -0.620) 3.405 9.357 ( -3.998 3.975 3.975) 6.899 9.357 ( 3.998 3.975 3.975) 6.899 9.599 ( -4.436 0.513 0.513) 4.495 9.599 ( 4.436 0.513 0.513) 4.495 9.887 ( -4.599 -1.896 -1.896) 5.324 9.887 ( 4.599 -1.896 -1.896) 5.324 10.116 ( -2.277 1.371 1.371) 2.991 10.116 ( 2.277 1.371 1.371) 2.991 10.239 ( -5.648 1.214 1.214) 5.903 10.239 ( 5.648 1.214 1.214) 5.903 10.336 ( -5.923 1.195 1.195) 6.160 10.336 ( 5.923 1.195 1.195) 6.160 10.504 ( -4.265 -1.056 -1.056) 4.519 10.504 ( 4.265 -1.056 -1.056) 4.519 10.696 ( -3.595 0.145 0.145) 3.601 10.696 ( 3.595 0.145 0.145) 3.601 10.934 ( -3.425 1.387 1.387) 3.947 10.934 ( 3.425 1.387 1.387) 3.947 11.018 ( -6.447 -0.354 -0.354) 6.467 11.018 ( 6.447 -0.354 -0.354) 6.467 11.275 ( -6.199 -1.260 -1.260) 6.450 11.275 ( 6.199 -1.260 -1.260) 6.450 11.323 ( -2.645 -0.007 -0.007) 2.645 11.323 ( 2.645 -0.007 -0.007) 2.645 11.451 ( -9.364 1.022 1.022) 9.475 11.451 ( 9.364 1.022 1.022) 9.475 11.530 ( -3.815 -0.665 -0.665) 3.929 11.530 ( 3.815 -0.665 -0.665) 3.929 11.694 ( -0.682 3.558 3.558) 5.078 11.694 ( 0.682 3.558 3.558) 5.078 11.842 ( -8.056 4.788 4.788) 10.524 11.842 ( 8.056 4.788 4.788) 10.524 12.239 ( -3.066 5.182 5.182) 7.943 12.239 ( 3.066 5.182 5.182) 7.943 12.463 ( -9.179 14.006 14.006) 21.832 12.463 ( 9.179 14.006 14.006) 21.832 12.688 ( -1.348 5.128 5.128) 7.376 12.688 ( 1.348 5.128 5.128) 7.376 13.055 ( -7.715 5.096 5.096) 10.558 13.055 ( 7.715 5.096 5.096) 10.558 13.190 ( -7.829 3.222 3.222) 9.059 13.190 ( 7.829 3.222 3.222) 9.059 13.419 ( -12.892 1.963 1.963) 13.188 13.419 ( 12.892 1.963 1.963) 13.188 13.657 ( -6.266 3.778 3.778) 8.234 13.657 ( 6.266 3.778 3.778) 8.234 13.847 ( -4.199 2.738 2.738) 5.712 13.847 ( 4.199 2.738 2.738) 5.712 14.114 ( -5.065 5.557 5.557) 9.349 14.114 ( 5.065 5.557 5.557) 9.349 14.302 ( -6.052 6.231 6.231) 10.690 14.302 ( 6.052 6.231 6.231) 10.690 14.458 ( -5.520 8.522 8.522) 13.256 14.458 ( 5.520 8.522 8.522) 13.256 14.671 ( -2.225 -2.891 -2.891) 4.654 14.671 ( 2.225 -2.891 -2.891) 4.654 14.878 ( -9.980 -9.601 -9.601) 16.851 14.878 ( 9.980 -9.601 -9.601) 16.851 14.987 ( -5.126 -5.261 -5.261) 9.035 14.987 ( 5.126 -5.261 -5.261) 9.035 15.133 ( -10.099 1.194 1.194) 10.239 15.133 ( 10.099 1.194 1.194) 10.239 15.219 ( -6.158 -4.031 -4.031) 8.392 15.219 ( 6.158 -4.031 -4.031) 8.392 15.442 ( -5.476 -1.823 -1.823) 6.053 15.442 ( 5.476 -1.823 -1.823) 6.053 15.704 ( -7.449 -1.283 -1.283) 7.667 15.704 ( 7.449 -1.283 -1.283) 7.667 15.774 ( -5.143 -3.140 -3.140) 6.795 15.774 ( 5.143 -3.140 -3.140) 6.795 16.026 ( -3.350 -5.497 -5.497) 8.465 16.026 ( 3.350 -5.497 -5.497) 8.465 16.275 ( -4.153 -12.378 -12.378) 17.991 16.275 ( 4.153 -12.378 -12.378) 17.991 16.442 ( -6.836 -3.743 -3.743) 8.646 16.442 ( 6.836 -3.743 -3.743) 8.646 16.764 ( -5.455 -1.507 -1.507) 5.856 16.764 ( 5.455 -1.507 -1.507) 5.856 16.832 ( -1.181 5.758 5.758) 8.228 16.832 ( 1.181 5.758 5.758) 8.228 17.226 ( -2.012 1.798 1.798) 3.243 17.226 ( 2.012 1.798 1.798) 3.243 17.531 ( -6.445 4.528 4.528) 9.086 17.531 ( 6.445 4.528 4.528) 9.086 17.702 ( -3.158 -3.003 -3.003) 5.293 17.702 ( 3.158 -3.003 -3.003) 5.293 17.808 ( -8.847 6.341 6.341) 12.597 17.808 ( 8.847 6.341 6.341) 12.597 17.992 ( -5.414 4.212 4.212) 8.049 17.992 ( 5.414 4.212 4.212) 8.049 18.301 ( -3.994 3.735 3.735) 6.622 18.301 ( 3.994 3.735 3.735) 6.622 18.593 ( -10.376 -0.630 -0.630) 10.414 18.593 ( 10.376 -0.630 -0.630) 10.414 18.922 ( -0.506 -4.383 -4.383) 6.219 18.922 ( 0.506 -4.383 -4.383) 6.219 19.059 ( -2.355 -0.814 -0.814) 2.621 19.059 ( 2.355 -0.814 -0.814) 2.621 19.132 ( -4.140 -0.987 -0.987) 4.369 19.132 ( 4.140 -0.987 -0.987) 4.369 19.247 ( -0.395 -2.025 -2.025) 2.890 19.247 ( 0.395 -2.025 -2.025) 2.890 19.354 ( -4.971 -3.017 -3.017) 6.551 19.354 ( 4.971 -3.017 -3.017) 6.551 19.579 ( -3.474 -0.736 -0.736) 3.627 19.579 ( 3.474 -0.736 -0.736) 3.627 19.879 ( -3.230 0.742 0.742) 3.396 19.879 ( 3.230 0.742 0.742) 3.396 20.401 ( -2.649 -1.419 -1.419) 3.323 20.401 ( 2.649 -1.419 -1.419) 3.323 21.092 ( -5.375 5.319 5.319) 9.245 21.092 ( 5.375 5.319 5.319) 9.245 21.575 ( -0.572 0.184 0.184) 0.628 21.575 ( 0.572 0.184 0.184) 0.628 21.721 ( -0.487 -0.441 -0.441) 0.792 21.721 ( 0.487 -0.441 -0.441) 0.792 21.800 ( -4.134 0.114 0.114) 4.137 21.800 ( 4.134 0.114 0.114) 4.137 21.962 ( -1.806 2.712 2.712) 4.239 21.962 ( 1.806 2.712 2.712) 4.239 22.120 ( -3.187 1.390 1.390) 3.744 22.120 ( 3.187 1.390 1.390) 3.744 22.461 ( -5.196 -5.710 -5.710) 9.603 22.461 ( 5.196 -5.710 -5.710) 9.603 23.239 ( -7.587 6.653 6.653) 12.087 23.239 ( 7.587 6.653 6.653) 12.087 23.603 ( -1.922 -0.886 -0.886) 2.294 23.603 ( 1.922 -0.886 -0.886) 2.294 23.963 ( -13.193 3.169 3.169) 13.934 23.963 ( 13.193 3.169 3.169) 13.934 24.604 ( -5.442 -10.719 -10.719) 16.106 24.604 ( 5.442 -10.719 -10.719) 16.106 25.347 ( -5.424 6.803 6.803) 11.045 25.347 ( 5.424 6.803 6.803) 11.045 26.146 ( -12.829 -4.807 -4.807) 14.519 26.146 ( 12.829 -4.807 -4.807) 14.519 ======================= Grid point 65 (14/20) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 27.787 27.787 22.968) 45.516 3.541 ( 39.664 39.664 -10.334) 57.038 4.678 ( -28.316 -28.316 10.210) 41.327 4.942 ( -25.732 -25.732 8.373) 37.342 5.202 ( -11.515 -11.515 -8.103) 18.189 5.413 ( -24.828 -24.828 -4.205) 35.363 5.711 ( -10.728 -10.728 -24.816) 29.086 5.955 ( 22.173 22.173 3.307) 31.532 6.175 ( -3.516 -3.516 -34.342) 34.700 6.316 ( 2.987 2.987 -24.253) 24.619 6.456 ( -4.449 -4.449 -23.044) 23.887 6.582 ( 0.062 0.062 -9.571) 9.571 6.846 ( -15.071 -15.071 -12.653) 24.786 6.893 ( -6.408 -6.408 -18.332) 20.450 7.001 ( -19.527 -19.527 -27.559) 39.014 7.081 ( -11.485 -11.485 -18.888) 24.911 7.152 ( -15.194 -15.194 -16.080) 26.838 7.214 ( -5.920 -5.920 0.451) 8.385 7.463 ( -12.926 -12.926 -8.593) 20.200 7.532 ( -7.012 -7.012 -7.891) 12.674 7.629 ( -5.351 -5.351 -8.698) 11.530 8.282 ( -0.270 -0.270 6.012) 6.024 8.350 ( -5.660 -5.660 8.924) 11.988 8.378 ( -6.676 -6.676 15.472) 18.125 8.683 ( -0.326 -0.326 12.091) 12.100 8.704 ( -3.355 -3.355 4.150) 6.304 8.763 ( 0.178 0.178 12.164) 12.167 8.930 ( 5.109 5.109 7.456) 10.382 8.955 ( -2.054 -2.054 0.065) 2.905 9.022 ( 5.087 5.087 9.827) 12.178 9.091 ( 1.330 1.330 -5.375) 5.694 9.250 ( -3.867 -3.867 -4.582) 7.134 9.304 ( -0.081 -0.081 -0.781) 0.790 9.500 ( 1.466 1.466 9.396) 9.622 9.520 ( 1.253 1.253 -5.684) 5.954 9.633 ( 5.678 5.678 3.298) 8.680 9.739 ( 9.206 9.206 0.761) 13.041 9.857 ( -0.504 -0.504 -3.075) 3.156 9.944 ( 2.001 2.001 7.803) 8.300 10.067 ( 1.461 1.461 3.339) 3.926 10.135 ( 1.148 1.148 3.988) 4.306 10.229 ( 0.650 0.650 9.549) 9.593 10.257 ( 7.290 7.290 4.543) 11.266 10.369 ( -5.996 -5.996 8.181) 11.782 10.495 ( -2.377 -2.377 9.287) 9.876 10.575 ( -6.820 -6.820 12.344) 15.665 10.662 ( -0.586 -0.586 -2.709) 2.833 10.747 ( -0.252 -0.252 -2.844) 2.867 10.880 ( 0.177 0.177 -1.144) 1.171 10.961 ( -0.742 -0.742 4.247) 4.375 11.025 ( 2.992 2.992 -0.685) 4.286 11.041 ( -5.145 -5.145 0.767) 7.317 11.152 ( 6.154 6.154 0.076) 8.704 11.288 ( 3.510 3.510 0.073) 4.964 11.381 ( 2.426 2.426 -4.423) 5.598 11.403 ( 1.359 1.359 0.026) 1.921 11.432 ( 2.849 2.849 1.337) 4.245 11.514 ( -2.226 -2.226 -2.900) 4.280 11.555 ( 0.138 0.138 -0.837) 0.859 11.671 ( 1.007 1.007 3.626) 3.896 11.759 ( 7.413 7.413 8.965) 13.794 11.812 ( 5.620 5.620 1.139) 8.030 11.854 ( 8.616 8.616 4.265) 12.910 12.132 ( 7.776 7.776 6.413) 12.730 12.332 ( 4.456 4.456 9.359) 11.283 12.418 ( 2.846 2.846 -6.528) 7.669 12.520 ( 5.728 5.728 5.032) 9.536 12.616 ( 8.983 8.983 8.317) 15.184 12.653 ( 2.173 2.173 -6.014) 6.754 12.823 ( 5.749 5.749 7.968) 11.384 12.897 ( 3.340 3.340 14.412) 15.166 13.064 ( 7.413 7.413 10.851) 15.088 13.163 ( 2.568 2.568 3.644) 5.144 13.268 ( 8.369 8.369 7.354) 13.934 13.433 ( -3.475 -3.475 2.127) 5.354 13.505 ( 1.713 1.713 -0.400) 2.455 13.649 ( 1.283 1.283 -2.294) 2.925 13.803 ( 2.891 2.891 6.065) 7.315 13.877 ( -2.032 -2.032 -5.374) 6.094 14.028 ( 9.122 9.122 -3.869) 13.468 14.099 ( 0.721 0.721 -3.045) 3.211 14.232 ( -3.818 -3.818 3.535) 6.454 14.279 ( 3.068 3.068 -5.327) 6.870 14.434 ( 4.797 4.797 -1.183) 6.887 14.504 ( 5.490 5.490 -4.862) 9.161 14.552 ( 1.326 1.326 -4.827) 5.179 14.607 ( -1.229 -1.229 -2.281) 2.868 14.652 ( 4.087 4.087 0.408) 5.794 14.686 ( 1.406 1.406 -1.224) 2.334 14.823 ( -1.462 -1.462 2.765) 3.452 14.854 ( -11.482 -11.482 -11.070) 19.653 14.928 ( 0.903 0.903 0.301) 1.312 14.984 ( 0.273 0.273 -3.410) 3.432 15.149 ( -1.634 -1.634 5.478) 5.945 15.229 ( -2.374 -2.374 1.903) 3.859 15.271 ( -4.893 -4.893 -0.364) 6.930 15.393 ( 1.515 1.515 3.650) 4.232 15.434 ( -2.454 -2.454 1.764) 3.893 15.554 ( 0.532 0.532 -2.311) 2.431 15.688 ( -5.577 -5.577 -5.256) 9.478 15.758 ( -0.912 -0.912 0.837) 1.538 15.789 ( -1.892 -1.892 3.303) 4.251 15.947 ( -7.839 -7.839 1.543) 11.193 15.952 ( 0.558 0.558 2.604) 2.721 16.020 ( -5.145 -5.145 -10.024) 12.387 16.135 ( -1.857 -1.857 -5.677) 6.255 16.422 ( -3.034 -3.034 -3.651) 5.634 16.497 ( 2.919 2.919 -6.452) 7.660 16.613 ( 1.744 1.744 -2.802) 3.733 16.768 ( -1.241 -1.241 -6.083) 6.331 16.942 ( -2.669 -2.669 -3.792) 5.351 17.006 ( -0.586 -0.586 -1.473) 1.690 17.159 ( 2.843 2.843 1.087) 4.165 17.319 ( -0.115 -0.115 8.573) 8.575 17.370 ( 4.161 4.161 2.287) 6.313 17.572 ( 4.665 4.665 3.361) 7.404 17.633 ( 9.402 9.402 -2.229) 13.482 17.731 ( 5.516 5.516 -1.857) 8.019 17.836 ( 0.011 0.011 5.143) 5.143 17.966 ( 2.698 2.698 0.945) 3.931 18.108 ( 5.388 5.388 5.423) 9.353 18.170 ( -2.318 -2.318 6.533) 7.309 18.246 ( -0.673 -0.673 -0.950) 1.345 18.449 ( -0.011 -0.011 -3.427) 3.427 18.485 ( -3.178 -3.178 6.162) 7.627 18.749 ( -4.063 -4.063 0.472) 5.765 18.811 ( -6.264 -6.264 -0.664) 8.884 18.905 ( -3.698 -3.698 -3.659) 6.383 19.019 ( -1.382 -1.382 -1.380) 2.393 19.054 ( -4.052 -4.052 -1.147) 5.844 19.088 ( -3.277 -3.277 -4.807) 6.677 19.119 ( -1.887 -1.887 0.386) 2.696 19.181 ( 0.785 0.785 0.023) 1.110 19.214 ( -1.148 -1.148 1.878) 2.482 19.262 ( -1.509 -1.509 0.073) 2.136 19.411 ( -1.433 -1.433 -1.454) 2.494 19.553 ( 1.706 1.706 -5.593) 6.091 19.668 ( -5.130 -5.130 -2.820) 7.784 19.809 ( -3.086 -3.086 -5.228) 6.810 19.868 ( -2.914 -2.914 -3.557) 5.444 20.339 ( 5.888 5.888 9.635) 12.734 20.489 ( 3.048 3.048 3.574) 5.599 21.076 ( 4.377 4.377 4.952) 7.927 21.220 ( -1.167 -1.167 2.570) 3.055 21.577 ( 0.992 0.992 0.698) 1.566 21.617 ( 1.840 1.840 3.057) 4.015 21.696 ( 0.229 0.229 -0.743) 0.811 21.735 ( 0.763 0.763 1.066) 1.517 21.766 ( 0.549 0.549 1.934) 2.084 21.799 ( -1.816 -1.816 1.960) 3.231 21.941 ( -1.219 -1.219 2.690) 3.195 22.023 ( -2.158 -2.158 4.325) 5.294 22.106 ( 3.696 3.696 -0.831) 5.293 22.289 ( -0.100 -0.100 -2.365) 2.369 22.317 ( 0.758 0.758 -4.091) 4.229 22.412 ( -4.392 -4.392 -6.225) 8.793 23.183 ( 9.572 9.572 -1.041) 13.577 23.442 ( 4.030 4.030 2.396) 6.183 23.473 ( 2.204 2.204 -8.977) 9.503 23.594 ( 2.062 2.062 3.522) 4.572 23.920 ( 5.678 5.678 9.303) 12.289 24.202 ( -6.167 -6.167 -0.067) 8.722 24.360 ( -4.202 -4.202 -6.606) 8.886 24.536 ( -10.220 -10.220 -8.792) 16.918 25.366 ( 5.975 5.975 5.215) 9.930 25.547 ( 0.757 0.757 5.144) 5.255 25.883 ( 2.667 2.667 -2.539) 4.546 26.236 ( -10.152 -10.152 -4.701) 15.108 ======================= Grid point 66 (15/20) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( -46.778 5.361 15.010) 49.419 3.713 ( 46.778 5.361 15.010) 49.419 4.427 ( -39.623 23.148 -11.202) 47.237 4.427 ( 39.623 23.148 -11.202) 47.237 5.000 ( -12.171 -36.773 4.788) 39.030 5.000 ( 12.171 -36.773 4.788) 39.030 5.885 ( -13.289 -16.490 -26.976) 34.296 5.885 ( 13.289 -16.490 -26.976) 34.296 6.203 ( -6.807 -4.811 -29.327) 30.488 6.203 ( 6.807 -4.811 -29.327) 30.488 6.572 ( -11.219 -18.584 -28.319) 35.682 6.572 ( 11.219 -18.584 -28.319) 35.682 6.696 ( -6.141 -19.600 -19.961) 28.641 6.696 ( 6.141 -19.600 -19.961) 28.641 6.915 ( -1.284 -6.675 -21.177) 22.242 6.915 ( 1.284 -6.675 -21.177) 22.242 7.193 ( -7.266 -10.085 -1.421) 12.510 7.193 ( 7.266 -10.085 -1.421) 12.510 7.449 ( -9.949 2.188 -0.431) 10.196 7.449 ( 9.949 2.188 -0.431) 10.196 7.707 ( -32.983 23.225 16.592) 43.619 7.707 ( 32.983 23.225 16.592) 43.619 8.295 ( -3.391 -0.859 4.224) 5.485 8.295 ( 3.391 -0.859 4.224) 5.485 8.613 ( -5.491 2.799 3.328) 7.004 8.613 ( 5.491 2.799 3.328) 7.004 8.833 ( -1.709 -1.433 5.974) 6.377 8.833 ( 1.709 -1.433 5.974) 6.377 9.051 ( -4.081 -2.695 -1.712) 5.181 9.051 ( 4.081 -2.695 -1.712) 5.181 9.239 ( -3.089 1.258 1.452) 3.638 9.239 ( 3.089 1.258 1.452) 3.638 9.412 ( -7.705 3.574 1.904) 8.704 9.412 ( 7.705 3.574 1.904) 8.704 9.680 ( -4.507 1.698 1.380) 5.010 9.680 ( 4.507 1.698 1.380) 5.010 9.885 ( -5.316 1.551 8.121) 9.829 9.885 ( 5.316 1.551 8.121) 9.829 9.999 ( -14.564 -10.404 5.952) 18.862 9.999 ( 14.564 -10.404 5.952) 18.862 10.190 ( -6.038 -5.278 11.436) 13.967 10.190 ( 6.038 -5.278 11.436) 13.967 10.287 ( -9.393 -2.651 14.113) 17.159 10.287 ( 9.393 -2.651 14.113) 17.159 10.445 ( -4.322 -5.272 8.965) 11.263 10.445 ( 4.322 -5.272 8.965) 11.263 10.723 ( -2.961 3.563 -2.430) 5.231 10.723 ( 2.961 3.563 -2.430) 5.231 10.924 ( -2.496 1.392 -1.827) 3.392 10.924 ( 2.496 1.392 -1.827) 3.392 11.021 ( -2.887 1.332 7.161) 7.836 11.021 ( 2.887 1.332 7.161) 7.836 11.286 ( -6.415 4.705 0.656) 7.982 11.286 ( 6.415 4.705 0.656) 7.982 11.426 ( -0.817 -0.246 -1.466) 1.696 11.426 ( 0.817 -0.246 -1.466) 1.696 11.453 ( -4.442 4.080 1.239) 6.157 11.453 ( 4.442 4.080 1.239) 6.157 11.636 ( -5.804 2.824 -5.625) 8.562 11.636 ( 5.804 2.824 -5.625) 8.562 11.804 ( -2.765 9.866 7.818) 12.888 11.804 ( 2.765 9.866 7.818) 12.888 12.162 ( -9.706 19.420 -1.271) 21.748 12.162 ( 9.706 19.420 -1.271) 21.748 12.380 ( -2.700 8.591 2.502) 9.346 12.380 ( 2.700 8.591 2.502) 9.346 12.613 ( -4.553 1.757 3.479) 5.993 12.613 ( 4.553 1.757 3.479) 5.993 12.810 ( -2.843 4.513 11.430) 12.613 12.810 ( 2.843 4.513 11.430) 12.613 13.097 ( -10.986 -2.215 5.046) 12.291 13.097 ( 10.986 -2.215 5.046) 12.291 13.247 ( -3.632 -0.078 0.286) 3.644 13.247 ( 3.632 -0.078 0.286) 3.644 13.425 ( -5.023 3.085 5.259) 7.899 13.425 ( 5.023 3.085 5.259) 7.899 13.778 ( -9.861 3.100 -1.692) 10.475 13.778 ( 9.861 3.100 -1.692) 10.475 13.951 ( -9.096 5.748 -1.631) 10.883 13.951 ( 9.096 5.748 -1.631) 10.883 14.180 ( -2.731 3.003 -4.145) 5.801 14.180 ( 2.731 3.003 -4.145) 5.801 14.412 ( -6.616 1.605 -9.308) 11.532 14.412 ( 6.616 1.605 -9.308) 11.532 14.497 ( -3.225 -7.092 -9.987) 12.666 14.497 ( 3.225 -7.092 -9.987) 12.666 14.631 ( -5.513 3.039 2.110) 6.639 14.631 ( 5.513 3.039 2.110) 6.639 14.768 ( -3.879 -3.002 0.380) 4.919 14.768 ( 3.879 -3.002 0.380) 4.919 14.868 ( -7.547 -5.783 -5.106) 10.792 14.868 ( 7.547 -5.783 -5.106) 10.792 15.089 ( -6.495 -4.393 3.604) 8.630 15.089 ( 6.495 -4.393 3.604) 8.630 15.197 ( -2.340 1.796 3.144) 4.311 15.197 ( 2.340 1.796 3.144) 4.311 15.408 ( -2.731 0.434 1.255) 3.037 15.408 ( 2.731 0.434 1.255) 3.037 15.632 ( -4.677 -3.086 4.002) 6.886 15.632 ( 4.677 -3.086 4.002) 6.886 15.698 ( -4.854 -7.770 0.176) 9.163 15.698 ( 4.854 -7.770 0.176) 9.163 15.863 ( -3.909 -8.874 0.695) 9.722 15.863 ( 3.909 -8.874 0.695) 9.722 16.122 ( -5.169 4.066 -7.294) 9.821 16.122 ( 5.169 4.066 -7.294) 9.821 16.428 ( -4.695 2.013 -8.273) 9.723 16.428 ( 4.695 2.013 -8.273) 9.723 16.749 ( -5.266 -1.178 -6.429) 8.394 16.749 ( 5.266 -1.178 -6.429) 8.394 16.907 ( -4.139 -0.632 -4.048) 5.824 16.907 ( 4.139 -0.632 -4.048) 5.824 17.245 ( -4.705 1.040 7.301) 8.747 17.245 ( 4.705 1.040 7.301) 8.747 17.537 ( -7.478 -1.762 2.355) 8.036 17.537 ( 7.478 -1.762 2.355) 8.036 17.782 ( -1.907 8.319 -1.296) 8.632 17.782 ( 1.907 8.319 -1.296) 8.632 17.944 ( -9.825 5.744 2.791) 11.718 17.944 ( 9.825 5.744 2.791) 11.718 18.119 ( -5.156 7.313 5.603) 10.557 18.119 ( 5.156 7.313 5.603) 10.557 18.340 ( -6.480 -0.673 5.918) 8.801 18.340 ( 6.480 -0.673 5.918) 8.801 18.573 ( -9.986 -1.162 -0.924) 10.096 18.573 ( 9.986 -1.162 -0.924) 10.096 18.791 ( -3.999 -7.855 -2.417) 9.140 18.791 ( 3.999 -7.855 -2.417) 9.140 19.013 ( -0.854 -2.970 -2.481) 3.963 19.013 ( 0.854 -2.970 -2.481) 3.963 19.070 ( -1.224 -4.660 -2.705) 5.525 19.070 ( 1.224 -4.660 -2.705) 5.525 19.204 ( -1.419 -0.411 3.131) 3.463 19.204 ( 1.419 -0.411 3.131) 3.463 19.316 ( -6.746 -1.402 -0.047) 6.891 19.316 ( 6.746 -1.402 -0.047) 6.891 19.582 ( -1.638 1.133 -5.612) 5.955 19.582 ( 1.638 1.133 -5.612) 5.955 19.813 ( -2.185 -5.238 -5.026) 7.582 19.813 ( 2.185 -5.238 -5.026) 7.582 20.472 ( -4.666 6.309 9.357) 12.211 20.472 ( 4.666 6.309 9.357) 12.211 21.161 ( -3.771 0.813 2.884) 4.816 21.161 ( 3.771 0.813 2.884) 4.816 21.616 ( -1.793 3.759 2.605) 4.912 21.616 ( 1.793 3.759 2.605) 4.912 21.720 ( -1.742 0.510 0.632) 1.922 21.720 ( 1.742 0.510 0.632) 1.922 21.782 ( -2.150 -1.491 2.639) 3.716 21.782 ( 2.150 -1.491 2.639) 3.716 21.949 ( -2.929 -3.805 4.799) 6.789 21.949 ( 2.929 -3.805 4.799) 6.789 22.210 ( -5.252 5.762 -3.527) 8.557 22.210 ( 5.252 5.762 -3.527) 8.557 22.360 ( -2.021 -3.433 -5.622) 6.891 22.360 ( 2.021 -3.433 -5.622) 6.891 23.376 ( -7.511 6.012 -3.459) 10.224 23.376 ( 7.511 6.012 -3.459) 10.224 23.580 ( -4.168 -1.601 -3.907) 5.932 23.580 ( 4.168 -1.601 -3.907) 5.932 24.042 ( -6.826 3.588 5.993) 9.766 24.042 ( 6.826 3.588 5.993) 9.766 24.379 ( -4.547 -9.128 -5.629) 11.648 24.379 ( 4.547 -9.128 -5.629) 11.648 25.486 ( -5.139 5.853 4.806) 9.153 25.486 ( 5.139 5.853 4.806) 9.153 26.022 ( -9.393 -6.177 -3.226) 11.695 26.022 ( 9.393 -6.177 -3.226) 11.695 ======================= Grid point 76 (16/20) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.958 ( -0.000 -0.000 12.061) 12.061 3.958 ( 0.000 0.000 12.061) 12.061 4.283 ( 0.000 0.000 10.332) 10.332 4.283 ( 0.000 0.000 10.332) 10.332 4.957 ( 0.000 0.000 -9.313) 9.313 4.957 ( 0.000 0.000 -9.313) 9.313 5.509 ( 0.000 0.000 -30.829) 30.829 5.509 ( 0.000 0.000 -30.829) 30.829 6.273 ( -0.000 -0.000 -25.071) 25.071 6.273 ( 0.000 0.000 -25.071) 25.071 6.283 ( -0.000 -0.000 -24.736) 24.736 6.283 ( 0.000 0.000 -24.736) 24.736 6.472 ( -0.000 -0.000 -31.621) 31.621 6.472 ( 0.000 0.000 -31.621) 31.621 6.827 ( 0.000 0.000 -32.222) 32.222 6.827 ( 0.000 0.000 -32.222) 32.222 7.059 ( 0.000 0.000 2.785) 2.785 7.059 ( 0.000 0.000 2.785) 2.785 7.407 ( 0.000 0.000 -9.514) 9.514 7.407 ( 0.000 0.000 -9.514) 9.514 8.184 ( -0.000 -0.000 8.891) 8.891 8.184 ( 0.000 0.000 8.891) 8.891 8.279 ( 0.000 0.000 16.721) 16.721 8.279 ( 0.000 0.000 16.721) 16.721 8.617 ( 0.000 0.000 12.658) 12.658 8.617 ( 0.000 0.000 12.658) 12.658 8.893 ( 0.000 0.000 -2.267) 2.267 8.893 ( 0.000 0.000 -2.267) 2.267 8.943 ( -0.000 -0.000 1.701) 1.701 8.943 ( 0.000 0.000 1.701) 1.701 9.174 ( 0.000 0.000 8.588) 8.588 9.174 ( 0.000 0.000 8.588) 8.588 9.472 ( 0.000 0.000 6.227) 6.227 9.472 ( 0.000 0.000 6.227) 6.227 9.514 ( 0.000 0.000 -3.480) 3.480 9.514 ( 0.000 0.000 -3.480) 3.480 9.928 ( 0.000 0.000 -2.273) 2.273 9.928 ( 0.000 0.000 -2.273) 2.273 10.030 ( 0.000 0.000 11.442) 11.442 10.030 ( 0.000 0.000 11.442) 11.442 10.111 ( -0.000 -0.000 9.142) 9.142 10.111 ( 0.000 0.000 9.142) 9.142 10.222 ( 0.000 0.000 28.814) 28.814 10.222 ( 0.000 0.000 28.814) 28.814 10.377 ( 0.000 0.000 9.325) 9.325 10.377 ( 0.000 0.000 9.325) 9.325 10.792 ( 0.000 0.000 -10.581) 10.581 10.792 ( 0.000 0.000 -10.581) 10.581 10.987 ( -0.000 -0.000 8.256) 8.256 10.987 ( 0.000 0.000 8.256) 8.256 10.994 ( -0.000 -0.000 6.824) 6.824 10.994 ( 0.000 0.000 6.824) 6.824 11.378 ( -0.000 -0.000 0.475) 0.475 11.378 ( 0.000 0.000 0.475) 0.475 11.385 ( 0.000 0.000 -1.636) 1.636 11.385 ( 0.000 0.000 -1.636) 1.636 11.563 ( -0.000 -0.000 5.334) 5.334 11.563 ( 0.000 0.000 5.334) 5.334 11.566 ( -0.000 -0.000 2.900) 2.900 11.566 ( 0.000 0.000 2.900) 2.900 12.010 ( 0.000 0.000 0.976) 0.976 12.010 ( 0.000 0.000 0.976) 0.976 12.346 ( 0.000 0.000 8.951) 8.951 12.346 ( 0.000 0.000 8.951) 8.951 12.532 ( 0.000 0.000 -10.323) 10.323 12.532 ( 0.000 0.000 -10.323) 10.323 12.624 ( -0.000 -0.000 -1.586) 1.586 12.624 ( 0.000 0.000 -1.586) 1.586 12.880 ( 0.000 0.000 3.476) 3.476 12.880 ( 0.000 0.000 3.476) 3.476 12.981 ( -0.000 -0.000 9.133) 9.133 12.981 ( 0.000 0.000 9.133) 9.133 13.285 ( 0.000 0.000 -0.624) 0.624 13.285 ( 0.000 0.000 -0.624) 0.624 13.466 ( 0.000 0.000 10.145) 10.145 13.466 ( 0.000 0.000 10.145) 10.145 13.898 ( 0.000 0.000 -13.891) 13.891 13.898 ( 0.000 0.000 -13.891) 13.891 13.915 ( -0.000 -0.000 -1.390) 1.390 13.915 ( 0.000 0.000 -1.390) 1.390 14.207 ( 0.000 0.000 -3.876) 3.876 14.207 ( 0.000 0.000 -3.876) 3.876 14.341 ( 0.000 0.000 -12.748) 12.748 14.341 ( 0.000 0.000 -12.748) 12.748 14.518 ( 0.000 0.000 -9.024) 9.024 14.518 ( 0.000 0.000 -9.024) 9.024 14.635 ( 0.000 0.000 -2.882) 2.882 14.635 ( 0.000 0.000 -2.882) 2.882 14.748 ( 0.000 0.000 -1.008) 1.008 14.748 ( 0.000 0.000 -1.008) 1.008 14.753 ( -0.000 -0.000 -0.384) 0.384 14.753 ( 0.000 0.000 -0.384) 0.384 15.060 ( -0.000 -0.000 8.397) 8.397 15.060 ( 0.000 0.000 8.397) 8.397 15.205 ( 0.000 0.000 0.766) 0.766 15.205 ( 0.000 0.000 0.766) 0.766 15.450 ( 0.000 0.000 10.565) 10.565 15.450 ( 0.000 0.000 10.565) 10.565 15.564 ( -0.000 -0.000 -1.147) 1.147 15.564 ( 0.000 0.000 -1.147) 1.147 15.633 ( 0.000 0.000 2.544) 2.544 15.633 ( 0.000 0.000 2.544) 2.544 15.730 ( -0.000 -0.000 2.369) 2.369 15.730 ( 0.000 0.000 2.369) 2.369 16.259 ( 0.000 0.000 -8.002) 8.002 16.259 ( 0.000 0.000 -8.002) 8.002 16.434 ( -0.000 -0.000 -12.761) 12.761 16.434 ( 0.000 0.000 -12.761) 12.761 16.752 ( -0.000 -0.000 -7.735) 7.735 16.752 ( 0.000 0.000 -7.735) 7.735 16.843 ( -0.000 -0.000 -5.848) 5.848 16.843 ( 0.000 0.000 -5.848) 5.848 17.269 ( 0.000 0.000 14.576) 14.576 17.269 ( 0.000 0.000 14.576) 14.576 17.518 ( 0.000 0.000 -1.047) 1.047 17.518 ( 0.000 0.000 -1.047) 1.047 17.880 ( 0.000 0.000 -0.006) 0.006 17.880 ( 0.000 0.000 -0.006) 0.006 18.058 ( 0.000 0.000 3.839) 3.839 18.058 ( 0.000 0.000 3.839) 3.839 18.205 ( 0.000 0.000 3.286) 3.286 18.205 ( 0.000 0.000 3.286) 3.286 18.310 ( 0.000 0.000 7.462) 7.462 18.310 ( 0.000 0.000 7.462) 7.462 18.555 ( 0.000 0.000 -0.318) 0.318 18.555 ( 0.000 0.000 -0.318) 0.318 18.672 ( -0.000 -0.000 -1.582) 1.582 18.672 ( 0.000 0.000 -1.582) 1.582 18.982 ( -0.000 -0.000 -4.507) 4.507 18.982 ( 0.000 0.000 -4.507) 4.507 19.003 ( 0.000 0.000 -4.191) 4.191 19.003 ( 0.000 0.000 -4.191) 4.191 19.209 ( -0.000 -0.000 5.151) 5.151 19.209 ( 0.000 0.000 5.151) 5.151 19.292 ( 0.000 0.000 2.381) 2.381 19.292 ( 0.000 0.000 2.381) 2.381 19.609 ( 0.000 0.000 -8.000) 8.000 19.609 ( 0.000 0.000 -8.000) 8.000 19.741 ( 0.000 0.000 -5.601) 5.601 19.741 ( 0.000 0.000 -5.601) 5.601 20.557 ( 0.000 0.000 12.809) 12.809 20.557 ( 0.000 0.000 12.809) 12.809 21.158 ( 0.000 0.000 1.715) 1.715 21.158 ( 0.000 0.000 1.715) 1.715 21.680 ( 0.000 0.000 3.041) 3.041 21.680 ( 0.000 0.000 3.041) 3.041 21.746 ( -0.000 -0.000 3.353) 3.353 21.746 ( 0.000 0.000 3.353) 3.353 21.748 ( -0.000 -0.000 1.814) 1.814 21.748 ( 0.000 0.000 1.814) 1.814 21.879 ( 0.000 0.000 4.865) 4.865 21.879 ( 0.000 0.000 4.865) 4.865 22.293 ( -0.000 -0.000 -5.858) 5.858 22.293 ( 0.000 0.000 -5.858) 5.858 22.312 ( 0.000 0.000 -4.204) 4.204 22.312 ( 0.000 0.000 -4.204) 4.204 23.476 ( 0.000 0.000 -7.713) 7.713 23.476 ( 0.000 0.000 -7.713) 7.713 23.529 ( 0.000 0.000 -7.623) 7.623 23.529 ( 0.000 0.000 -7.623) 7.623 24.086 ( 0.000 0.000 6.009) 6.009 24.086 ( 0.000 0.000 6.009) 6.009 24.273 ( 0.000 0.000 -0.416) 0.416 24.273 ( 0.000 0.000 -0.416) 0.416 25.559 ( 0.000 0.000 4.263) 4.263 25.559 ( 0.000 0.000 4.263) 4.263 25.941 ( 0.000 0.000 -2.637) 2.637 25.941 ( 0.000 0.000 -2.637) 2.637 ======================= Grid point 114 (17/20) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( 25.238 25.238 25.238) 43.714 3.588 ( 23.257 23.257 23.257) 40.283 4.905 ( -7.811 -7.811 -7.811) 13.528 4.975 ( -16.542 -16.542 -16.542) 28.651 5.073 ( -14.412 -14.412 -14.412) 24.962 5.084 ( -8.295 -8.295 -8.295) 14.368 5.176 ( -12.491 -12.491 -12.491) 21.634 5.506 ( -13.705 -13.705 -13.705) 23.737 5.765 ( -12.930 -12.930 -12.930) 22.395 5.873 ( -13.172 -13.172 -13.172) 22.815 6.043 ( -14.165 -14.165 -14.165) 24.535 6.202 ( -18.169 -18.169 -18.169) 31.470 6.364 ( -25.762 -25.762 -25.762) 44.621 6.510 ( -18.400 -18.400 -18.400) 31.870 6.596 ( -19.076 -19.076 -19.076) 33.041 6.726 ( -22.069 -22.069 -22.069) 38.225 7.056 ( 0.242 0.242 0.242) 0.419 7.254 ( -9.555 -9.555 -9.555) 16.550 7.286 ( 1.432 1.432 1.432) 2.480 7.436 ( -8.961 -8.961 -8.961) 15.521 7.523 ( 28.267 28.267 28.267) 48.960 8.398 ( 2.041 2.041 2.041) 3.535 8.436 ( -2.993 -2.993 -2.993) 5.183 8.485 ( -2.615 -2.615 -2.615) 4.530 8.623 ( -4.157 -4.157 -4.157) 7.199 8.675 ( -5.370 -5.370 -5.370) 9.302 8.790 ( -5.553 -5.553 -5.553) 9.617 8.865 ( -3.743 -3.743 -3.743) 6.483 8.962 ( -3.376 -3.376 -3.376) 5.848 9.242 ( 6.339 6.339 6.339) 10.979 9.301 ( 1.797 1.797 1.797) 3.113 9.353 ( 9.780 9.780 9.780) 16.939 9.467 ( 21.848 21.848 21.848) 37.841 9.469 ( 0.396 0.396 0.396) 0.685 9.642 ( -5.788 -5.788 -5.788) 10.024 9.740 ( 4.799 4.799 4.799) 8.312 9.837 ( 4.389 4.389 4.389) 7.602 9.923 ( 10.941 10.941 10.941) 18.950 10.026 ( -0.171 -0.171 -0.171) 0.297 10.088 ( 16.421 16.421 16.421) 28.442 10.225 ( -2.074 -2.074 -2.074) 3.592 10.442 ( -5.691 -5.691 -5.691) 9.857 10.445 ( -1.149 -1.149 -1.149) 1.990 10.499 ( 0.574 0.574 0.574) 0.994 10.506 ( 8.122 8.122 8.122) 14.068 10.519 ( 11.511 11.511 11.511) 19.938 10.680 ( -1.593 -1.593 -1.593) 2.759 10.743 ( 0.360 0.360 0.360) 0.624 10.976 ( 8.214 8.214 8.214) 14.227 11.030 ( 3.650 3.650 3.650) 6.322 11.105 ( 3.151 3.151 3.151) 5.457 11.133 ( 3.680 3.680 3.680) 6.374 11.151 ( -0.783 -0.783 -0.783) 1.356 11.231 ( -2.057 -2.057 -2.057) 3.564 11.422 ( 2.873 2.873 2.873) 4.977 11.438 ( 0.497 0.497 0.497) 0.862 11.477 ( 4.019 4.019 4.019) 6.962 11.551 ( 5.191 5.191 5.191) 8.991 11.575 ( -0.732 -0.732 -0.732) 1.268 11.825 ( 2.770 2.770 2.770) 4.797 11.857 ( 5.677 5.677 5.677) 9.832 11.893 ( 9.422 9.422 9.422) 16.319 12.011 ( 4.437 4.437 4.437) 7.686 12.134 ( -0.987 -0.987 -0.987) 1.710 12.371 ( 4.635 4.635 4.635) 8.027 12.499 ( 4.109 4.109 4.109) 7.117 12.506 ( 0.193 0.193 0.193) 0.335 12.616 ( 1.895 1.895 1.895) 3.283 12.879 ( 3.063 3.063 3.063) 5.305 12.880 ( 6.434 6.434 6.434) 11.143 13.131 ( 7.848 7.848 7.848) 13.593 13.226 ( 2.843 2.843 2.843) 4.924 13.333 ( 5.895 5.895 5.895) 10.211 13.423 ( 1.221 1.221 1.221) 2.115 13.500 ( -1.914 -1.914 -1.914) 3.314 13.505 ( 6.753 6.753 6.753) 11.696 13.566 ( 2.109 2.109 2.109) 3.654 13.637 ( -11.527 -11.527 -11.527) 19.966 14.016 ( 2.776 2.776 2.776) 4.808 14.020 ( -0.041 -0.041 -0.041) 0.070 14.024 ( 4.328 4.328 4.328) 7.497 14.163 ( -3.695 -3.695 -3.695) 6.401 14.315 ( -3.245 -3.245 -3.245) 5.620 14.331 ( -3.570 -3.570 -3.570) 6.184 14.351 ( -15.643 -15.643 -15.643) 27.094 14.408 ( -4.877 -4.877 -4.877) 8.447 14.454 ( -2.110 -2.110 -2.110) 3.655 14.659 ( 1.264 1.264 1.264) 2.189 14.689 ( -0.255 -0.255 -0.255) 0.442 14.731 ( -0.160 -0.160 -0.160) 0.278 14.834 ( -3.033 -3.033 -3.033) 5.253 14.866 ( -3.625 -3.625 -3.625) 6.278 15.082 ( 6.229 6.229 6.229) 10.789 15.123 ( -3.318 -3.318 -3.318) 5.747 15.209 ( -0.131 -0.131 -0.131) 0.227 15.302 ( -3.196 -3.196 -3.196) 5.536 15.458 ( 1.512 1.512 1.512) 2.619 15.507 ( 5.280 5.280 5.280) 9.146 15.510 ( -0.377 -0.377 -0.377) 0.654 15.627 ( 1.360 1.360 1.360) 2.356 15.801 ( 1.088 1.088 1.088) 1.885 15.801 ( -6.752 -6.752 -6.752) 11.694 15.820 ( -0.700 -0.700 -0.700) 1.212 15.978 ( -4.554 -4.554 -4.554) 7.889 15.988 ( 1.509 1.509 1.509) 2.614 16.066 ( 0.577 0.577 0.577) 1.000 16.345 ( -3.804 -3.804 -3.804) 6.589 16.412 ( -1.992 -1.992 -1.992) 3.450 16.501 ( -1.343 -1.343 -1.343) 2.326 16.641 ( -6.587 -6.587 -6.587) 11.409 16.858 ( -5.257 -5.257 -5.257) 9.105 16.867 ( -5.330 -5.330 -5.330) 9.232 17.283 ( 7.824 7.824 7.824) 13.551 17.440 ( 3.565 3.565 3.565) 6.175 17.506 ( 2.506 2.506 2.506) 4.340 17.632 ( 8.426 8.426 8.426) 14.594 17.706 ( -1.318 -1.318 -1.318) 2.284 17.723 ( 8.776 8.776 8.776) 15.200 17.941 ( 0.406 0.406 0.406) 0.704 18.026 ( 6.225 6.225 6.225) 10.782 18.212 ( 2.738 2.738 2.738) 4.742 18.232 ( 1.317 1.317 1.317) 2.280 18.266 ( 5.915 5.915 5.915) 10.245 18.422 ( 1.894 1.894 1.894) 3.280 18.629 ( -0.083 -0.083 -0.083) 0.145 18.716 ( -2.119 -2.119 -2.119) 3.671 18.734 ( -6.239 -6.239 -6.239) 10.806 18.826 ( -3.767 -3.767 -3.767) 6.525 18.919 ( -5.707 -5.707 -5.707) 9.884 18.973 ( -2.803 -2.803 -2.803) 4.854 18.982 ( -6.711 -6.711 -6.711) 11.624 19.066 ( -5.184 -5.184 -5.184) 8.980 19.220 ( 3.531 3.531 3.531) 6.115 19.258 ( 0.433 0.433 0.433) 0.749 19.263 ( 1.281 1.281 1.281) 2.219 19.396 ( -0.572 -0.572 -0.572) 0.990 19.478 ( -0.358 -0.358 -0.358) 0.620 19.585 ( -6.073 -6.073 -6.073) 10.519 19.713 ( -3.879 -3.879 -3.879) 6.718 19.738 ( -5.030 -5.030 -5.030) 8.712 20.537 ( 10.117 10.117 10.117) 17.524 20.660 ( 7.785 7.785 7.785) 13.484 21.149 ( 1.835 1.835 1.835) 3.178 21.237 ( -1.269 -1.269 -1.269) 2.197 21.624 ( 3.754 3.754 3.754) 6.502 21.692 ( 1.762 1.762 1.762) 3.052 21.695 ( 2.638 2.638 2.638) 4.570 21.760 ( 1.404 1.404 1.404) 2.431 21.805 ( 0.968 0.968 0.968) 1.677 21.856 ( 1.260 1.260 1.260) 2.182 21.946 ( 1.015 1.015 1.015) 1.759 22.102 ( 1.012 1.012 1.012) 1.752 22.107 ( 0.631 0.631 0.631) 1.092 22.258 ( -1.140 -1.140 -1.140) 1.974 22.261 ( -1.882 -1.882 -1.882) 3.260 22.274 ( -4.983 -4.983 -4.983) 8.631 23.174 ( 1.700 1.700 1.700) 2.945 23.310 ( -3.708 -3.708 -3.708) 6.423 23.481 ( -1.953 -1.953 -1.953) 3.382 23.589 ( -4.613 -4.613 -4.613) 7.990 24.085 ( 6.010 6.010 6.010) 10.410 24.203 ( -0.968 -0.968 -0.968) 1.676 24.267 ( -0.261 -0.261 -0.261) 0.451 24.375 ( -5.054 -5.054 -5.054) 8.754 25.482 ( 5.458 5.458 5.458) 9.454 25.639 ( 1.807 1.807 1.807) 3.129 25.839 ( 0.153 0.153 0.153) 0.265 26.099 ( -7.871 -7.871 -7.871) 13.634 ======================= Grid point 115 (18/20) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.072 ( -30.857 13.833 13.833) 36.536 4.072 ( 30.857 13.833 13.833) 36.536 4.341 ( -28.750 9.820 9.820) 31.929 4.341 ( 28.750 9.820 9.820) 31.929 5.029 ( -2.974 -13.227 -13.227) 18.941 5.029 ( 2.974 -13.227 -13.227) 18.941 5.323 ( -5.888 -17.812 -17.812) 25.869 5.323 ( 5.888 -17.812 -17.812) 25.869 5.656 ( -11.332 -16.002 -16.002) 25.309 5.656 ( 11.332 -16.002 -16.002) 25.309 5.960 ( -10.068 -24.156 -24.156) 35.615 5.960 ( 10.068 -24.156 -24.156) 35.615 6.233 ( -10.786 -22.972 -22.972) 34.231 6.233 ( 10.786 -22.972 -22.972) 34.231 6.375 ( -5.213 -22.707 -22.707) 32.533 6.375 ( 5.213 -22.707 -22.707) 32.533 7.078 ( -5.160 -6.608 -6.608) 10.675 7.078 ( 5.160 -6.608 -6.608) 10.675 7.283 ( -3.862 -10.132 -10.132) 14.840 7.283 ( 3.862 -10.132 -10.132) 14.840 8.263 ( -20.169 19.094 19.094) 33.703 8.263 ( 20.169 19.094 19.094) 33.704 8.404 ( -7.155 5.693 5.693) 10.771 8.404 ( 7.155 5.693 5.693) 10.771 8.553 ( -5.614 -2.999 -2.999) 7.036 8.553 ( 5.614 -2.999 -2.999) 7.036 8.805 ( -1.948 -6.637 -6.637) 9.586 8.805 ( 1.948 -6.637 -6.637) 9.586 9.011 ( -11.702 9.676 9.676) 18.005 9.011 ( 11.702 9.676 9.676) 18.005 9.337 ( -0.579 3.946 3.946) 5.610 9.337 ( 0.579 3.946 3.946) 5.610 9.519 ( -3.428 1.110 1.110) 3.770 9.519 ( 3.428 1.110 1.110) 3.770 9.799 ( -4.144 10.877 10.877) 15.930 9.799 ( 4.144 10.877 10.877) 15.930 10.026 ( -5.205 4.079 4.079) 7.769 10.026 ( 5.205 4.079 4.079) 7.769 10.173 ( -2.158 1.367 1.367) 2.897 10.173 ( 2.158 1.367 1.367) 2.897 10.296 ( -0.375 -2.570 -2.570) 3.653 10.296 ( 0.375 -2.570 -2.570) 3.653 10.489 ( -6.656 3.097 3.097) 7.968 10.489 ( 6.656 3.097 3.097) 7.968 10.581 ( -2.490 4.398 4.398) 6.699 10.581 ( 2.490 4.398 4.398) 6.699 10.778 ( -9.932 6.651 6.651) 13.680 10.778 ( 9.932 6.651 6.651) 13.680 10.975 ( -5.709 3.314 3.314) 7.386 10.975 ( 5.709 3.314 3.314) 7.386 11.135 ( -3.975 2.237 2.237) 5.080 11.135 ( 3.975 2.237 2.237) 5.080 11.211 ( -2.462 3.919 3.919) 6.064 11.211 ( 2.462 3.919 3.919) 6.064 11.473 ( -2.435 2.621 2.621) 4.435 11.473 ( 2.435 2.621 2.621) 4.435 11.505 ( -5.100 5.163 5.163) 8.907 11.505 ( 5.100 5.163 5.163) 8.907 11.708 ( -9.762 7.899 7.899) 14.835 11.708 ( 9.762 7.899 7.899) 14.835 11.980 ( -3.762 6.816 6.816) 10.347 11.980 ( 3.762 6.816 6.816) 10.347 12.175 ( -6.391 3.116 3.116) 7.763 12.175 ( 6.391 3.116 3.116) 7.763 12.431 ( -2.807 1.891 1.891) 3.877 12.431 ( 2.807 1.891 1.891) 3.877 12.606 ( -3.490 -1.699 -1.699) 4.237 12.606 ( 3.490 -1.699 -1.699) 4.237 12.971 ( -2.745 3.712 3.712) 5.924 12.971 ( 2.745 3.712 3.712) 5.924 13.212 ( -10.223 0.765 0.765) 10.280 13.212 ( 10.223 0.765 0.765) 10.280 13.335 ( -3.326 3.713 3.713) 6.215 13.335 ( 3.326 3.713 3.713) 6.215 13.451 ( -8.792 2.806 2.806) 9.646 13.451 ( 8.792 2.806 2.806) 9.646 13.741 ( -4.195 -3.209 -3.209) 6.180 13.741 ( 4.195 -3.209 -3.209) 6.180 13.943 ( -5.314 -0.488 -0.488) 5.359 13.943 ( 5.314 -0.488 -0.488) 5.359 14.104 ( -3.935 -1.423 -1.423) 4.419 14.104 ( 3.935 -1.423 -1.423) 4.419 14.212 ( -1.963 -7.726 -7.726) 11.102 14.212 ( 1.963 -7.726 -7.726) 11.102 14.300 ( -5.354 -5.401 -5.401) 9.328 14.300 ( 5.354 -5.401 -5.401) 9.328 14.587 ( -8.370 -6.975 -6.975) 12.936 14.587 ( 8.370 -6.975 -6.975) 12.936 14.741 ( -5.161 -2.747 -2.747) 6.459 14.741 ( 5.161 -2.747 -2.747) 6.459 14.785 ( -3.855 -2.912 -2.912) 5.642 14.785 ( 3.855 -2.912 -2.912) 5.642 15.137 ( -4.433 -0.203 -0.203) 4.443 15.137 ( 4.433 -0.203 -0.203) 4.443 15.206 ( -1.354 0.307 0.307) 1.421 15.206 ( 1.354 0.307 0.307) 1.421 15.470 ( -1.374 5.148 5.148) 7.408 15.470 ( 1.374 5.148 5.148) 7.408 15.669 ( -6.267 -1.404 -1.404) 6.574 15.669 ( 6.267 -1.404 -1.404) 6.574 15.743 ( -6.305 0.275 0.275) 6.317 15.743 ( 6.305 0.275 0.275) 6.317 15.862 ( -4.422 -1.970 -1.970) 5.226 15.862 ( 4.422 -1.970 -1.970) 5.227 16.029 ( -4.521 3.210 3.210) 6.407 16.029 ( 4.521 3.210 3.210) 6.407 16.316 ( -4.678 -3.287 -3.287) 6.595 16.316 ( 4.678 -3.287 -3.287) 6.595 16.590 ( -2.383 -5.973 -5.973) 8.777 16.590 ( 2.383 -5.973 -5.973) 8.777 16.784 ( -2.197 -5.694 -5.694) 8.347 16.784 ( 2.197 -5.694 -5.694) 8.347 17.413 ( -4.236 6.923 6.923) 10.668 17.413 ( 4.236 6.923 6.923) 10.668 17.606 ( -6.052 -0.296 -0.296) 6.066 17.606 ( 6.052 -0.296 -0.296) 6.066 17.807 ( -3.929 7.017 7.017) 10.673 17.807 ( 3.929 7.017 7.017) 10.673 18.044 ( -7.205 6.035 6.035) 11.169 18.044 ( 7.205 6.035 6.035) 11.169 18.231 ( -2.304 5.233 5.233) 7.750 18.231 ( 2.304 5.233 5.233) 7.750 18.462 ( -4.582 3.285 3.285) 6.525 18.462 ( 4.582 3.285 3.285) 6.525 18.543 ( -5.468 -0.634 -0.634) 5.541 18.543 ( 5.468 -0.634 -0.634) 5.541 18.729 ( -2.520 -4.086 -4.086) 6.304 18.729 ( 2.520 -4.086 -4.086) 6.304 18.903 ( -1.577 -7.625 -7.625) 10.898 18.903 ( 1.577 -7.625 -7.625) 10.898 18.962 ( -3.529 -6.535 -6.535) 9.893 18.962 ( 3.529 -6.535 -6.535) 9.893 19.259 ( -0.520 2.153 2.153) 3.089 19.259 ( 0.520 2.153 2.153) 3.089 19.335 ( -5.256 1.087 1.087) 5.476 19.335 ( 5.256 1.087 1.087) 5.476 19.494 ( -1.327 -2.123 -2.123) 3.282 19.494 ( 1.327 -2.123 -2.123) 3.282 19.682 ( -0.843 -5.860 -5.860) 8.330 19.682 ( 0.843 -5.860 -5.860) 8.330 20.706 ( -4.019 10.916 10.916) 15.952 20.706 ( 4.019 10.916 10.916) 15.952 21.187 ( -2.521 -0.771 -0.771) 2.747 21.187 ( 2.521 -0.771 -0.771) 2.747 21.697 ( -1.891 4.377 4.377) 6.472 21.697 ( 1.891 4.377 4.377) 6.472 21.754 ( -3.073 2.465 2.465) 4.647 21.754 ( 3.073 2.465 2.465) 4.647 21.828 ( -2.453 1.848 1.848) 3.585 21.828 ( 2.453 1.848 1.848) 3.585 22.050 ( -5.770 1.371 1.371) 6.087 22.050 ( 5.770 1.371 1.371) 6.087 22.145 ( -3.488 -0.232 -0.232) 3.503 22.145 ( 3.488 -0.232 -0.232) 3.503 22.255 ( -0.642 -3.552 -3.552) 5.064 22.255 ( 0.642 -3.552 -3.552) 5.064 23.264 ( -4.165 -4.519 -4.519) 7.628 23.264 ( 4.165 -4.519 -4.519) 7.628 23.457 ( -4.131 -8.425 -8.425) 12.611 23.457 ( 4.131 -8.425 -8.425) 12.611 24.169 ( -2.262 5.128 5.128) 7.596 24.169 ( 2.262 5.128 5.128) 7.596 24.307 ( -2.505 -0.698 -0.698) 2.693 24.307 ( 2.505 -0.698 -0.698) 2.693 25.592 ( -4.751 4.731 4.731) 8.206 25.592 ( 4.751 4.731 4.731) 8.206 25.931 ( -7.308 -4.881 -4.881) 10.052 25.931 ( 7.308 -4.881 -4.881) 10.052 ======================= Grid point 125 (19/20) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.285 ( -0.000 -0.000 16.822) 16.822 4.285 ( 0.000 0.000 16.822) 16.822 4.516 ( 0.000 0.000 7.141) 7.141 4.516 ( 0.000 0.000 7.141) 7.141 4.829 ( 0.000 0.000 -0.359) 0.359 4.829 ( 0.000 0.000 -0.359) 0.359 4.991 ( -0.000 -0.000 -11.575) 11.575 4.991 ( 0.000 0.000 -11.575) 11.575 5.590 ( 0.000 0.000 -29.744) 29.744 5.590 ( 0.000 0.000 -29.744) 29.744 5.716 ( -0.000 -0.000 -26.164) 26.164 5.716 ( 0.000 0.000 -26.164) 26.164 5.957 ( -0.000 -0.000 -21.422) 21.422 5.957 ( 0.000 0.000 -21.422) 21.422 6.070 ( -0.000 -0.000 -33.789) 33.789 6.070 ( 0.000 0.000 -33.789) 33.789 7.003 ( 0.000 0.000 -4.959) 4.959 7.003 ( 0.000 0.000 -4.959) 4.959 7.155 ( 0.000 0.000 -12.341) 12.341 7.155 ( 0.000 0.000 -12.341) 12.341 8.340 ( 0.000 0.000 6.854) 6.854 8.340 ( 0.000 0.000 6.854) 6.854 8.470 ( 0.000 0.000 2.776) 2.776 8.470 ( 0.000 0.000 2.776) 2.776 8.591 ( 0.000 0.000 -8.469) 8.469 8.591 ( 0.000 0.000 -8.469) 8.469 8.697 ( 0.000 0.000 -12.767) 12.767 8.697 ( 0.000 0.000 -12.767) 12.767 9.379 ( 0.000 0.000 5.569) 5.569 9.379 ( 0.000 0.000 5.569) 5.569 9.414 ( 0.000 0.000 29.877) 29.877 9.414 ( 0.000 0.000 29.877) 29.877 9.545 ( 0.000 0.000 7.157) 7.157 9.545 ( 0.000 0.000 7.157) 7.157 9.766 ( 0.000 0.000 24.181) 24.181 9.766 ( 0.000 0.000 24.181) 24.181 9.956 ( 0.000 0.000 4.406) 4.406 9.956 ( 0.000 0.000 4.406) 4.406 10.113 ( 0.000 0.000 -5.922) 5.922 10.113 ( 0.000 0.000 -5.922) 5.922 10.304 ( 0.000 0.000 5.790) 5.790 10.304 ( 0.000 0.000 5.790) 5.790 10.505 ( 0.000 0.000 -11.005) 11.005 10.505 ( 0.000 0.000 -11.005) 11.005 10.653 ( 0.000 0.000 20.350) 20.350 10.653 ( 0.000 0.000 20.350) 20.350 10.812 ( 0.000 0.000 22.034) 22.034 10.812 ( 0.000 0.000 22.034) 22.034 11.122 ( 0.000 0.000 -4.381) 4.381 11.122 ( 0.000 0.000 -4.381) 4.381 11.210 ( -0.000 -0.000 4.585) 4.585 11.210 ( 0.000 0.000 4.585) 4.585 11.273 ( 0.000 0.000 -5.493) 5.493 11.273 ( 0.000 0.000 -5.493) 5.493 11.485 ( 0.000 0.000 -8.749) 8.749 11.485 ( 0.000 0.000 -8.749) 8.749 11.604 ( 0.000 0.000 12.851) 12.851 11.604 ( 0.000 0.000 12.851) 12.851 11.735 ( -0.000 -0.000 12.854) 12.854 11.735 ( 0.000 0.000 12.854) 12.854 12.056 ( 0.000 0.000 4.166) 4.166 12.056 ( 0.000 0.000 4.166) 4.166 12.225 ( 0.000 0.000 -5.674) 5.674 12.225 ( 0.000 0.000 -5.674) 5.674 12.484 ( 0.000 0.000 0.117) 0.117 12.484 ( 0.000 0.000 0.117) 0.117 12.585 ( 0.000 0.000 -2.602) 2.602 12.585 ( 0.000 0.000 -2.602) 2.602 13.029 ( 0.000 0.000 7.254) 7.254 13.029 ( 0.000 0.000 7.254) 7.254 13.139 ( 0.000 0.000 4.427) 4.427 13.139 ( 0.000 0.000 4.427) 4.427 13.382 ( 0.000 0.000 9.326) 9.326 13.382 ( 0.000 0.000 9.326) 9.326 13.540 ( 0.000 0.000 -5.756) 5.756 13.540 ( 0.000 0.000 -5.756) 5.756 13.746 ( 0.000 0.000 1.106) 1.106 13.746 ( 0.000 0.000 1.106) 1.106 13.779 ( -0.000 -0.000 -12.208) 12.208 13.779 ( -0.000 -0.000 -12.208) 12.208 14.123 ( 0.000 0.000 -5.465) 5.465 14.123 ( 0.000 0.000 -5.465) 5.465 14.155 ( -0.000 -0.000 -1.369) 1.369 14.155 ( 0.000 0.000 -1.369) 1.369 14.289 ( 0.000 0.000 -10.435) 10.435 14.289 ( 0.000 0.000 -10.435) 10.435 14.465 ( -0.000 -0.000 -11.828) 11.828 14.465 ( 0.000 0.000 -11.828) 11.828 14.716 ( -0.000 -0.000 -0.702) 0.702 14.716 ( 0.000 0.000 -0.702) 0.702 14.731 ( -0.000 -0.000 -1.472) 1.472 14.731 ( 0.000 0.000 -1.472) 1.472 15.124 ( 0.000 0.000 0.323) 0.323 15.124 ( 0.000 0.000 0.323) 0.323 15.218 ( 0.000 0.000 -0.971) 0.971 15.218 ( 0.000 0.000 -0.971) 0.971 15.586 ( 0.000 0.000 1.446) 1.446 15.586 ( 0.000 0.000 1.446) 1.446 15.587 ( -0.000 -0.000 2.141) 2.141 15.587 ( 0.000 0.000 2.141) 2.141 15.773 ( -0.000 -0.000 7.437) 7.437 15.773 ( 0.000 0.000 7.437) 7.437 15.789 ( -0.000 -0.000 2.898) 2.898 15.789 ( 0.000 0.000 2.898) 2.898 16.148 ( 0.000 0.000 -0.293) 0.293 16.148 ( 0.000 0.000 -0.293) 0.293 16.219 ( -0.000 -0.000 -7.527) 7.527 16.219 ( 0.000 0.000 -7.527) 7.527 16.572 ( -0.000 -0.000 -6.739) 6.739 16.572 ( 0.000 0.000 -6.739) 6.739 16.700 ( 0.000 0.000 -5.924) 5.924 16.700 ( 0.000 0.000 -5.924) 5.924 17.530 ( -0.000 -0.000 1.618) 1.618 17.530 ( 0.000 0.000 1.618) 1.618 17.540 ( -0.000 -0.000 6.191) 6.191 17.540 ( 0.000 0.000 6.191) 6.191 17.923 ( 0.000 0.000 9.121) 9.121 17.923 ( 0.000 0.000 9.121) 9.121 18.159 ( 0.000 0.000 4.607) 4.607 18.159 ( 0.000 0.000 4.607) 4.607 18.318 ( 0.000 0.000 5.342) 5.342 18.318 ( 0.000 0.000 5.342) 5.342 18.425 ( -0.000 -0.000 3.364) 3.364 18.425 ( 0.000 0.000 3.364) 3.364 18.575 ( 0.000 0.000 2.660) 2.660 18.575 ( 0.000 0.000 2.660) 2.660 18.640 ( -0.000 -0.000 -1.059) 1.059 18.640 ( 0.000 0.000 -1.059) 1.059 18.813 ( 0.000 0.000 -11.621) 11.621 18.813 ( 0.000 0.000 -11.621) 11.621 18.868 ( 0.000 0.000 -9.108) 9.108 18.868 ( 0.000 0.000 -9.108) 9.108 19.290 ( 0.000 0.000 2.426) 2.426 19.290 ( 0.000 0.000 2.426) 2.426 19.333 ( -0.000 -0.000 0.723) 0.723 19.333 ( 0.000 0.000 0.723) 0.723 19.489 ( 0.000 0.000 -1.887) 1.887 19.489 ( 0.000 0.000 -1.887) 1.887 19.610 ( 0.000 0.000 -5.787) 5.787 19.610 ( 0.000 0.000 -5.787) 5.787 20.843 ( 0.000 0.000 12.840) 12.840 20.843 ( 0.000 0.000 12.840) 12.840 21.162 ( 0.000 0.000 -2.082) 2.082 21.162 ( 0.000 0.000 -2.082) 2.082 21.750 ( 0.000 0.000 3.006) 3.006 21.750 ( 0.000 0.000 3.006) 3.006 21.787 ( 0.000 0.000 1.454) 1.454 21.787 ( 0.000 0.000 1.454) 1.454 21.874 ( 0.000 0.000 8.873) 8.873 21.874 ( 0.000 0.000 8.873) 8.873 22.006 ( 0.000 0.000 5.768) 5.768 22.006 ( 0.000 0.000 5.768) 5.768 22.185 ( 0.000 0.000 -3.409) 3.409 22.185 ( 0.000 0.000 -3.409) 3.409 22.211 ( 0.000 0.000 -4.762) 4.762 22.211 ( 0.000 0.000 -4.762) 4.762 23.274 ( -0.000 -0.000 -10.215) 10.215 23.274 ( 0.000 0.000 -10.215) 10.215 23.283 ( -0.000 -0.000 -13.015) 13.015 23.283 ( 0.000 0.000 -13.015) 13.015 24.229 ( 0.000 0.000 6.521) 6.521 24.229 ( 0.000 0.000 6.521) 6.521 24.309 ( 0.000 0.000 2.553) 2.553 24.309 ( 0.000 0.000 2.553) 2.553 25.656 ( 0.000 0.000 4.629) 4.629 25.656 ( 0.000 0.000 4.629) 4.629 25.862 ( 0.000 0.000 -4.691) 4.691 25.862 ( 0.000 0.000 -4.691) 4.691 ======================= Grid point 201 (20/20) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 10 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.514 ( -1.890 -1.890 -1.890) 3.273 4.514 ( -1.890 -1.890 -1.890) 3.273 4.514 ( 1.890 1.890 1.890) 3.273 4.514 ( 1.890 1.890 1.890) 3.273 4.944 ( -3.334 -3.334 -3.334) 5.774 4.944 ( -3.334 -3.334 -3.334) 5.774 4.944 ( 3.334 3.334 3.334) 5.774 4.944 ( 3.334 3.334 3.334) 5.774 5.322 ( -3.119 -3.119 -3.119) 5.402 5.322 ( -3.119 -3.119 -3.119) 5.402 5.322 ( 3.119 3.119 3.119) 5.402 5.322 ( 3.119 3.119 3.119) 5.402 5.646 ( -0.232 -0.232 -0.232) 0.401 5.646 ( -0.232 -0.232 -0.232) 0.401 5.646 ( 0.232 0.232 0.232) 0.401 5.646 ( 0.232 0.232 0.232) 0.401 6.973 ( -1.948 -1.948 -1.948) 3.374 6.973 ( -1.948 -1.948 -1.948) 3.374 6.973 ( 1.948 1.948 1.948) 3.374 6.973 ( 1.948 1.948 1.948) 3.374 8.484 ( -0.101 -0.101 -0.101) 0.175 8.484 ( -0.101 -0.101 -0.101) 0.175 8.484 ( 0.101 0.101 0.101) 0.175 8.484 ( 0.101 0.101 0.101) 0.175 8.487 ( -3.250 -3.250 -3.250) 5.630 8.487 ( -3.250 -3.250 -3.250) 5.630 8.487 ( 3.250 3.250 3.250) 5.630 8.487 ( 3.250 3.250 3.250) 5.630 9.482 ( -2.159 -2.159 -2.159) 3.740 9.482 ( -2.159 -2.159 -2.159) 3.740 9.482 ( 2.159 2.159 2.159) 3.740 9.482 ( 2.159 2.159 2.159) 3.740 9.981 ( -2.541 -2.541 -2.541) 4.401 9.981 ( -2.541 -2.541 -2.541) 4.401 9.981 ( 2.541 2.541 2.541) 4.401 9.981 ( 2.541 2.541 2.541) 4.401 10.107 ( -9.173 -9.173 -9.173) 15.888 10.107 ( -9.173 -9.173 -9.173) 15.888 10.107 ( 9.173 9.173 9.173) 15.888 10.107 ( 9.173 9.173 9.173) 15.888 10.326 ( -3.264 -3.264 -3.264) 5.653 10.326 ( -3.264 -3.264 -3.264) 5.653 10.326 ( 3.264 3.264 3.264) 5.653 10.326 ( 3.264 3.264 3.264) 5.653 11.001 ( -4.979 -4.979 -4.979) 8.623 11.001 ( -4.979 -4.979 -4.979) 8.623 11.001 ( 4.979 4.979 4.979) 8.623 11.001 ( 4.979 4.979 4.979) 8.623 11.089 ( -7.228 -7.228 -7.228) 12.519 11.089 ( -7.228 -7.228 -7.228) 12.519 11.089 ( 7.228 7.228 7.228) 12.519 11.089 ( 7.228 7.228 7.228) 12.520 11.218 ( -0.944 -0.944 -0.944) 1.635 11.218 ( -0.944 -0.944 -0.944) 1.635 11.218 ( 0.944 0.944 0.944) 1.635 11.218 ( 0.944 0.944 0.944) 1.635 11.894 ( -2.957 -2.957 -2.957) 5.122 11.894 ( -2.957 -2.957 -2.957) 5.122 11.894 ( 2.957 2.957 2.957) 5.122 11.894 ( 2.957 2.957 2.957) 5.122 12.149 ( -3.018 -3.018 -3.018) 5.227 12.149 ( -3.018 -3.018 -3.018) 5.227 12.149 ( 3.018 3.018 3.018) 5.227 12.149 ( 3.018 3.018 3.018) 5.227 12.517 ( -1.759 -1.759 -1.759) 3.046 12.517 ( -1.759 -1.759 -1.759) 3.046 12.517 ( 1.759 1.759 1.759) 3.046 12.517 ( 1.759 1.759 1.759) 3.046 13.174 ( -1.929 -1.929 -1.929) 3.341 13.174 ( -1.929 -1.929 -1.929) 3.341 13.174 ( 1.929 1.929 1.929) 3.341 13.174 ( 1.929 1.929 1.929) 3.341 13.478 ( -2.395 -2.395 -2.395) 4.148 13.478 ( -2.395 -2.395 -2.395) 4.148 13.478 ( 2.395 2.395 2.395) 4.148 13.478 ( 2.395 2.395 2.395) 4.148 13.638 ( -4.921 -4.921 -4.921) 8.523 13.638 ( -4.921 -4.921 -4.921) 8.523 13.638 ( 4.921 4.921 4.921) 8.523 13.638 ( 4.921 4.921 4.921) 8.523 14.130 ( -2.040 -2.040 -2.040) 3.533 14.130 ( -2.040 -2.040 -2.040) 3.533 14.130 ( 2.040 2.040 2.040) 3.533 14.130 ( 2.040 2.040 2.040) 3.533 14.237 ( -4.249 -4.249 -4.249) 7.359 14.237 ( -4.249 -4.249 -4.249) 7.359 14.237 ( 4.249 4.249 4.249) 7.359 14.237 ( 4.249 4.249 4.249) 7.359 14.710 ( -0.106 -0.106 -0.106) 0.184 14.710 ( -0.106 -0.106 -0.106) 0.184 14.710 ( 0.106 0.106 0.106) 0.184 14.710 ( 0.106 0.106 0.106) 0.184 15.160 ( -1.728 -1.728 -1.728) 2.993 15.160 ( -1.728 -1.728 -1.728) 2.993 15.160 ( 1.728 1.728 1.728) 2.993 15.160 ( 1.728 1.728 1.728) 2.993 15.606 ( -0.281 -0.281 -0.281) 0.486 15.606 ( -0.281 -0.281 -0.281) 0.486 15.606 ( 0.281 0.281 0.281) 0.486 15.606 ( 0.281 0.281 0.281) 0.486 15.835 ( -0.206 -0.206 -0.206) 0.357 15.835 ( -0.206 -0.206 -0.206) 0.357 15.835 ( 0.206 0.206 0.206) 0.357 15.835 ( 0.206 0.206 0.206) 0.357 16.144 ( -0.374 -0.374 -0.374) 0.648 16.144 ( -0.374 -0.374 -0.374) 0.648 16.144 ( 0.374 0.374 0.374) 0.648 16.144 ( 0.374 0.374 0.374) 0.648 16.578 ( -3.048 -3.048 -3.048) 5.280 16.578 ( -3.048 -3.048 -3.048) 5.280 16.578 ( 3.048 3.048 3.048) 5.280 16.578 ( 3.048 3.048 3.048) 5.280 17.561 ( -0.572 -0.572 -0.572) 0.991 17.561 ( -0.572 -0.572 -0.572) 0.991 17.561 ( 0.572 0.572 0.572) 0.991 17.561 ( 0.572 0.572 0.572) 0.991 18.168 ( -3.620 -3.620 -3.620) 6.271 18.168 ( -3.620 -3.620 -3.620) 6.271 18.168 ( 3.620 3.620 3.620) 6.271 18.168 ( 3.620 3.620 3.620) 6.271 18.428 ( -3.288 -3.288 -3.288) 5.695 18.428 ( -3.288 -3.288 -3.288) 5.695 18.428 ( 3.288 3.288 3.288) 5.695 18.428 ( 3.288 3.288 3.288) 5.695 18.620 ( -0.834 -0.834 -0.834) 1.445 18.620 ( -0.834 -0.834 -0.834) 1.445 18.620 ( 0.834 0.834 0.834) 1.445 18.620 ( 0.834 0.834 0.834) 1.445 18.673 ( -2.784 -2.784 -2.784) 4.823 18.673 ( -2.784 -2.784 -2.784) 4.823 18.673 ( 2.784 2.784 2.784) 4.823 18.673 ( 2.784 2.784 2.784) 4.823 19.323 ( -0.584 -0.584 -0.584) 1.011 19.323 ( -0.584 -0.584 -0.584) 1.011 19.323 ( 0.584 0.584 0.584) 1.011 19.323 ( 0.584 0.584 0.584) 1.011 19.516 ( -1.730 -1.730 -1.730) 2.997 19.516 ( -1.730 -1.730 -1.730) 2.997 19.516 ( 1.730 1.730 1.730) 2.997 19.516 ( 1.730 1.730 1.730) 2.997 21.060 ( -4.055 -4.055 -4.055) 7.024 21.060 ( -4.055 -4.055 -4.055) 7.024 21.060 ( 4.055 4.055 4.055) 7.024 21.060 ( 4.055 4.055 4.055) 7.024 21.794 ( -0.498 -0.498 -0.498) 0.863 21.794 ( -0.498 -0.498 -0.498) 0.863 21.794 ( 0.498 0.498 0.498) 0.863 21.794 ( 0.498 0.498 0.498) 0.863 22.051 ( -2.210 -2.210 -2.210) 3.828 22.051 ( -2.210 -2.210 -2.210) 3.828 22.051 ( 2.210 2.210 2.210) 3.828 22.051 ( 2.210 2.210 2.210) 3.828 22.141 ( -0.203 -0.203 -0.203) 0.352 22.141 ( -0.203 -0.203 -0.203) 0.352 22.141 ( 0.203 0.203 0.203) 0.352 22.141 ( 0.203 0.203 0.203) 0.352 23.130 ( -0.422 -0.422 -0.422) 0.730 23.130 ( -0.422 -0.422 -0.422) 0.730 23.130 ( 0.422 0.422 0.422) 0.730 23.130 ( 0.422 0.422 0.422) 0.730 24.324 ( -1.018 -1.018 -1.018) 1.763 24.324 ( -1.018 -1.018 -1.018) 1.763 24.324 ( 1.018 1.018 1.018) 1.763 24.324 ( 1.018 1.018 1.018) 1.763 25.756 ( -2.686 -2.686 -2.686) 4.652 25.756 ( -2.686 -2.686 -2.686) 4.652 25.756 ( 2.686 2.686 2.686) 4.652 25.756 ( 2.686 2.686 2.686) 4.652 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/36288 10.0 11401.800 11401.800 11401.800 0.000 -0.000 0.000 3/36288 20.0 14687.154 14687.154 14687.154 0.000 -0.000 0.000 3/36288 30.0 8006.560 8006.560 8006.560 -0.000 -0.000 0.000 3/36288 40.0 3914.089 3914.089 3914.089 -0.000 0.000 0.000 3/36288 50.0 2021.427 2021.427 2021.427 -0.000 0.000 0.000 3/36288 60.0 1144.689 1144.689 1144.689 -0.000 0.000 0.000 3/36288 70.0 706.838 706.838 706.838 -0.000 0.000 0.000 3/36288 80.0 469.431 469.431 469.431 -0.000 0.000 0.000 3/36288 90.0 330.842 330.842 330.842 -0.000 0.000 0.000 3/36288 100.0 244.698 244.698 244.698 -0.000 0.000 0.000 3/36288 110.0 188.255 188.255 188.255 -0.000 0.000 0.000 3/36288 120.0 149.599 149.599 149.599 -0.000 0.000 0.000 3/36288 130.0 122.116 122.116 122.116 -0.000 0.000 0.000 3/36288 140.0 101.944 101.944 101.944 -0.000 0.000 0.000 3/36288 150.0 86.729 86.729 86.729 -0.000 0.000 0.000 3/36288 160.0 74.979 74.979 74.979 -0.000 0.000 0.000 3/36288 170.0 65.717 65.717 65.717 -0.000 0.000 0.000 3/36288 180.0 58.284 58.284 58.284 -0.000 0.000 0.000 3/36288 190.0 52.225 52.225 52.225 -0.000 0.000 0.000 3/36288 200.0 47.215 47.215 47.215 -0.000 0.000 0.000 3/36288 210.0 43.020 43.020 43.020 -0.000 0.000 0.000 3/36288 220.0 39.469 39.469 39.469 -0.000 0.000 0.000 3/36288 230.0 36.433 36.433 36.433 -0.000 0.000 0.000 3/36288 240.0 33.812 33.812 33.812 -0.000 0.000 0.000 3/36288 250.0 31.532 31.532 31.532 -0.000 0.000 0.000 3/36288 260.0 29.533 29.533 29.533 -0.000 0.000 0.000 3/36288 270.0 27.768 27.768 27.768 -0.000 0.000 0.000 3/36288 280.0 26.200 26.200 26.200 -0.000 0.000 0.000 3/36288 290.0 24.799 24.799 24.799 -0.000 0.000 0.000 3/36288 300.0 23.541 23.541 23.541 -0.000 0.000 0.000 3/36288 310.0 22.405 22.405 22.405 -0.000 0.000 0.000 3/36288 320.0 21.375 21.375 21.375 -0.000 0.000 0.000 3/36288 330.0 20.438 20.438 20.438 -0.000 0.000 0.000 3/36288 340.0 19.580 19.580 19.580 -0.000 0.000 0.000 3/36288 350.0 18.794 18.794 18.794 -0.000 0.000 0.000 3/36288 360.0 18.069 18.069 18.069 -0.000 0.000 0.000 3/36288 370.0 17.401 17.401 17.401 -0.000 0.000 0.000 3/36288 380.0 16.781 16.781 16.781 -0.000 0.000 0.000 3/36288 390.0 16.206 16.206 16.206 -0.000 0.000 0.000 3/36288 400.0 15.670 15.670 15.670 -0.000 0.000 0.000 3/36288 410.0 15.170 15.170 15.170 -0.000 0.000 0.000 3/36288 420.0 14.701 14.701 14.701 -0.000 0.000 0.000 3/36288 430.0 14.263 14.263 14.263 -0.000 0.000 0.000 3/36288 440.0 13.850 13.850 13.850 -0.000 0.000 0.000 3/36288 450.0 13.462 13.462 13.462 -0.000 0.000 0.000 3/36288 460.0 13.096 13.096 13.096 -0.000 0.000 0.000 3/36288 470.0 12.750 12.750 12.750 -0.000 0.000 0.000 3/36288 480.0 12.423 12.423 12.423 -0.000 0.000 0.000 3/36288 490.0 12.112 12.112 12.112 -0.000 0.000 0.000 3/36288 500.0 11.818 11.818 11.818 -0.000 0.000 0.000 3/36288 510.0 11.538 11.538 11.538 -0.000 0.000 0.000 3/36288 520.0 11.272 11.272 11.272 -0.000 0.000 0.000 3/36288 530.0 11.018 11.018 11.018 -0.000 0.000 0.000 3/36288 540.0 10.776 10.776 10.776 -0.000 0.000 0.000 3/36288 550.0 10.545 10.545 10.545 -0.000 0.000 0.000 3/36288 560.0 10.324 10.324 10.324 -0.000 0.000 0.000 3/36288 570.0 10.112 10.112 10.112 -0.000 0.000 0.000 3/36288 580.0 9.909 9.909 9.909 -0.000 0.000 0.000 3/36288 590.0 9.715 9.715 9.715 -0.000 0.000 0.000 3/36288 600.0 9.528 9.528 9.528 -0.000 0.000 0.000 3/36288 610.0 9.349 9.349 9.349 -0.000 0.000 0.000 3/36288 620.0 9.176 9.176 9.176 -0.000 0.000 0.000 3/36288 630.0 9.011 9.011 9.011 -0.000 0.000 0.000 3/36288 640.0 8.851 8.851 8.851 -0.000 0.000 0.000 3/36288 650.0 8.697 8.697 8.697 -0.000 0.000 0.000 3/36288 660.0 8.548 8.548 8.548 -0.000 0.000 0.000 3/36288 670.0 8.405 8.405 8.405 -0.000 0.000 0.000 3/36288 680.0 8.266 8.266 8.266 -0.000 0.000 0.000 3/36288 690.0 8.133 8.133 8.133 -0.000 0.000 0.000 3/36288 700.0 8.003 8.003 8.003 -0.000 0.000 0.000 3/36288 710.0 7.878 7.878 7.878 -0.000 0.000 0.000 3/36288 720.0 7.757 7.757 7.757 -0.000 0.000 0.000 3/36288 730.0 7.640 7.640 7.640 -0.000 0.000 0.000 3/36288 740.0 7.526 7.526 7.526 -0.000 0.000 0.000 3/36288 750.0 7.416 7.416 7.416 -0.000 0.000 0.000 3/36288 760.0 7.309 7.309 7.309 -0.000 0.000 0.000 3/36288 770.0 7.205 7.205 7.205 -0.000 0.000 0.000 3/36288 780.0 7.104 7.104 7.104 -0.000 0.000 0.000 3/36288 790.0 7.006 7.006 7.006 -0.000 0.000 0.000 3/36288 800.0 6.911 6.911 6.911 -0.000 0.000 0.000 3/36288 810.0 6.818 6.818 6.818 -0.000 0.000 0.000 3/36288 820.0 6.728 6.728 6.728 -0.000 0.000 0.000 3/36288 830.0 6.640 6.640 6.640 -0.000 0.000 0.000 3/36288 840.0 6.555 6.555 6.555 -0.000 0.000 0.000 3/36288 850.0 6.472 6.472 6.472 -0.000 0.000 0.000 3/36288 860.0 6.391 6.391 6.391 -0.000 0.000 0.000 3/36288 870.0 6.312 6.312 6.312 -0.000 0.000 0.000 3/36288 880.0 6.235 6.235 6.235 -0.000 0.000 0.000 3/36288 890.0 6.160 6.160 6.160 -0.000 0.000 0.000 3/36288 900.0 6.087 6.087 6.087 -0.000 0.000 0.000 3/36288 910.0 6.015 6.015 6.015 -0.000 0.000 0.000 3/36288 920.0 5.946 5.946 5.946 -0.000 0.000 0.000 3/36288 930.0 5.878 5.878 5.878 -0.000 0.000 0.000 3/36288 940.0 5.811 5.811 5.811 -0.000 0.000 0.000 3/36288 950.0 5.746 5.746 5.746 -0.000 0.000 0.000 3/36288 960.0 5.683 5.683 5.683 -0.000 0.000 0.000 3/36288 970.0 5.621 5.621 5.621 -0.000 0.000 0.000 3/36288 980.0 5.560 5.560 5.560 -0.000 0.000 0.000 3/36288 990.0 5.501 5.501 5.501 -0.000 0.000 0.000 3/36288 1000.0 5.442 5.442 5.442 -0.000 0.000 0.000 3/36288 Thermal conductivity related properties were written into "kappa-m666.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:59:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|