# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/664a4f26-1c32-493f-8f76-dc07064dce12/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for La3U(ClO2)3 / P6_3/m (176) / materials id 554303](https://mdr.nims.go.jp/datasets/dca188ff-1e44-431e-b807-1f75fe8ffd4b) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 11:01:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/m (176)Number of symmetry operations in supercell: 24------------------------------ primitive cell ------------------------------Lattice vectors: a 9.440671260027001 0.000000000000000 0.000000000000000 b -4.720335630013500 8.175861139961029 0.000000000000000 c 0.000000000000000 0.000000000000000 5.577785370000000Atomic positions (fractional): *1 La 0.09133982965320 0.68702813977399 0.75000000000000 138.905 2 La 0.31297186022601 0.40431168987921 0.75000000000000 138.905 3 La 0.68702813977399 0.59568831012079 0.25000000000000 138.905 4 La 0.40431168987921 0.09133982965320 0.25000000000000 138.905 5 La 0.90866017034680 0.31297186022601 0.25000000000000 138.905 6 La 0.59568831012079 0.90866017034680 0.75000000000000 138.905 *7 U 0.66666666666667 0.33333333333333 0.75000000000000 238.029 8 U 0.33333333333333 0.66666666666667 0.25000000000000 238.029 *9 Cl 0.80898157045248 0.75012250577670 0.75000000000000 35.453 10 Cl 0.24987749422330 0.05885906467578 0.75000000000000 35.453 11 Cl 0.94114093532422 0.19101842954752 0.75000000000000 35.453 12 Cl 0.19101842954752 0.24987749422330 0.25000000000000 35.453 13 Cl 0.75012250577670 0.94114093532422 0.25000000000000 35.453 14 Cl 0.05885906467578 0.80898157045248 0.25000000000000 35.453 *15 O 0.15201250310556 0.51721679525392 0.00731002586854 15.999 16 O 0.48278320474608 0.63479570785164 0.00731002586854 15.999 17 O 0.36520429214836 0.84798749689443 0.49268997413146 15.999 18 O 0.51721679525392 0.36520429214836 0.50731002586854 15.999 19 O 0.63479570785164 0.15201250310556 0.50731002586854 15.999 20 O 0.48278320474608 0.63479570785164 0.49268997413146 15.999 21 O 0.84798749689443 0.48278320474608 0.99268997413146 15.999 22 O 0.15201250310556 0.51721679525392 0.49268997413146 15.999 23 O 0.84798749689443 0.48278320474608 0.50731002586854 15.999 24 O 0.36520429214836 0.84798749689443 0.00731002586854 15.999 25 O 0.51721679525392 0.36520429214836 0.99268997413146 15.999 26 O 0.63479570785164 0.15201250310556 0.99268997413146 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 9.440671260027001 0.000000000000000 0.000000000000000 b -4.720335630013500 8.175861139961029 0.000000000000000 c 0.000000000000000 0.000000000000000 5.577785370000000Atomic positions (fractional): *1 La 0.09133982965320 0.68702813977399 0.75000000000000 138.905 > 1 2 La 0.31297186022601 0.40431168987921 0.75000000000000 138.905 > 2 3 La 0.68702813977399 0.59568831012079 0.25000000000000 138.905 > 3 4 La 0.40431168987921 0.09133982965320 0.25000000000000 138.905 > 4 5 La 0.90866017034680 0.31297186022601 0.25000000000000 138.905 > 5 6 La 0.59568831012079 0.90866017034680 0.75000000000000 138.905 > 6 *7 U 0.66666666666667 0.33333333333333 0.75000000000000 238.029 > 7 8 U 0.33333333333333 0.66666666666667 0.25000000000000 238.029 > 8 *9 Cl 0.80898157045248 0.75012250577670 0.75000000000000 35.453 > 9 10 Cl 0.24987749422330 0.05885906467578 0.75000000000000 35.453 > 10 11 Cl 0.94114093532422 0.19101842954752 0.75000000000000 35.453 > 11 12 Cl 0.19101842954752 0.24987749422330 0.25000000000000 35.453 > 12 13 Cl 0.75012250577670 0.94114093532422 0.25000000000000 35.453 > 13 14 Cl 0.05885906467578 0.80898157045248 0.25000000000000 35.453 > 14 *15 O 0.15201250310556 0.51721679525392 0.00731002586854 15.999 > 15 16 O 0.48278320474608 0.63479570785164 0.00731002586854 15.999 > 16 17 O 0.36520429214836 0.84798749689443 0.49268997413146 15.999 > 17 18 O 0.51721679525392 0.36520429214836 0.50731002586854 15.999 > 18 19 O 0.63479570785164 0.15201250310556 0.50731002586854 15.999 > 19 20 O 0.48278320474608 0.63479570785164 0.49268997413146 15.999 > 20 21 O 0.84798749689443 0.48278320474608 0.99268997413146 15.999 > 21 22 O 0.15201250310556 0.51721679525392 0.49268997413146 15.999 > 22 23 O 0.84798749689443 0.48278320474608 0.50731002586854 15.999 > 23 24 O 0.36520429214836 0.84798749689443 0.00731002586854 15.999 > 24 25 O 0.51721679525392 0.36520429214836 0.99268997413146 15.999 > 25 26 O 0.63479570785164 0.15201250310556 0.99268997413146 15.999 > 26-------------------------------- super cell --------------------------------Lattice vectors: a 9.440671260027001 0.000000000000000 0.000000000000000 b -4.720335630013500 8.175861139961029 0.000000000000000 c 0.000000000000000 0.000000000000000 11.155570740000000Atomic positions (fractional): *1 La 0.09133982965320 0.68702813977399 0.37500000000000 138.905 > 1 2 La 0.09133982965320 0.68702813977399 0.87500000000000 138.905 > 1 3 La 0.31297186022601 0.40431168987921 0.37500000000000 138.905 > 2 4 La 0.31297186022601 0.40431168987921 0.87500000000000 138.905 > 2 5 La 0.68702813977399 0.59568831012079 0.12500000000000 138.905 > 3 6 La 0.68702813977399 0.59568831012079 0.62500000000000 138.905 > 3 7 La 0.40431168987921 0.09133982965320 0.12500000000000 138.905 > 4 8 La 0.40431168987921 0.09133982965320 0.62500000000000 138.905 > 4 9 La 0.90866017034680 0.31297186022601 0.12500000000000 138.905 > 5 10 La 0.90866017034680 0.31297186022601 0.62500000000000 138.905 > 5 11 La 0.59568831012079 0.90866017034680 0.37500000000000 138.905 > 6 12 La 0.59568831012079 0.90866017034680 0.87500000000000 138.905 > 6 *13 U 0.66666666666667 0.33333333333333 0.37500000000000 238.029 > 7 14 U 0.66666666666667 0.33333333333333 0.87500000000000 238.029 > 7 15 U 0.33333333333333 0.66666666666667 0.12500000000000 238.029 > 8 16 U 0.33333333333333 0.66666666666667 0.62500000000000 238.029 > 8 *17 Cl 0.80898157045248 0.75012250577670 0.37500000000000 35.453 > 9 18 Cl 0.80898157045248 0.75012250577670 0.87500000000000 35.453 > 9 19 Cl 0.24987749422330 0.05885906467578 0.37500000000000 35.453 > 10 20 Cl 0.24987749422330 0.05885906467578 0.87500000000000 35.453 > 10 21 Cl 0.94114093532422 0.19101842954752 0.37500000000000 35.453 > 11 22 Cl 0.94114093532422 0.19101842954752 0.87500000000000 35.453 > 11 23 Cl 0.19101842954752 0.24987749422330 0.12500000000000 35.453 > 12 24 Cl 0.19101842954752 0.24987749422330 0.62500000000000 35.453 > 12 25 Cl 0.75012250577670 0.94114093532422 0.12500000000000 35.453 > 13 26 Cl 0.75012250577670 0.94114093532422 0.62500000000000 35.453 > 13 27 Cl 0.05885906467578 0.80898157045248 0.12500000000000 35.453 > 14 28 Cl 0.05885906467578 0.80898157045248 0.62500000000000 35.453 > 14 *29 O 0.15201250310556 0.51721679525392 0.00365501293427 15.999 > 15 30 O 0.15201250310556 0.51721679525392 0.50365501293427 15.999 > 15 31 O 0.48278320474608 0.63479570785164 0.00365501293427 15.999 > 16 32 O 0.48278320474608 0.63479570785164 0.50365501293427 15.999 > 16 33 O 0.36520429214836 0.84798749689443 0.24634498706573 15.999 > 17 34 O 0.36520429214836 0.84798749689443 0.74634498706573 15.999 > 17 35 O 0.51721679525392 0.36520429214836 0.25365501293427 15.999 > 18 36 O 0.51721679525392 0.36520429214836 0.75365501293427 15.999 > 18 37 O 0.63479570785164 0.15201250310556 0.25365501293427 15.999 > 19 38 O 0.63479570785164 0.15201250310556 0.75365501293427 15.999 > 19 39 O 0.48278320474608 0.63479570785164 0.24634498706573 15.999 > 20 40 O 0.48278320474608 0.63479570785164 0.74634498706573 15.999 > 20 41 O 0.84798749689443 0.48278320474608 0.49634498706573 15.999 > 21 42 O 0.84798749689443 0.48278320474608 0.99634498706573 15.999 > 21 43 O 0.15201250310556 0.51721679525392 0.24634498706573 15.999 > 22 44 O 0.15201250310556 0.51721679525392 0.74634498706573 15.999 > 22 45 O 0.84798749689443 0.48278320474608 0.25365501293427 15.999 > 23 46 O 0.84798749689443 0.48278320474608 0.75365501293427 15.999 > 23 47 O 0.36520429214836 0.84798749689443 0.00365501293427 15.999 > 24 48 O 0.36520429214836 0.84798749689443 0.50365501293427 15.999 > 24 49 O 0.51721679525392 0.36520429214836 0.49634498706573 15.999 > 25 50 O 0.51721679525392 0.36520429214836 0.99634498706573 15.999 > 25 51 O 0.63479570785164 0.15201250310556 0.49634498706573 15.999 > 26 52 O 0.63479570785164 0.15201250310556 0.99634498706573 15.999 > 26----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.0649526 0.0000073 0.0000000 -0.0000073 5.0649526 0.0000000 0.0000000 0.0000000 5.3088841-------------------------- Born effective charges -------------------------- 1 La 4.7467061 0.4166310 0.0000000 0.6439558 3.7985259 0.0000000 0.0000000 -0.0000000 4.5893351 2 La 4.4948186 -0.7893832 0.0000000 -0.5620584 4.0504135 0.0000000 0.0000000 -0.0000000 4.5893351 3 La 4.4948186 -0.7893832 0.0000000 -0.5620584 4.0504135 0.0000000 0.0000000 -0.0000000 4.5893351 4 La 3.5763234 0.0317650 0.0000000 0.2590897 4.9689087 0.0000000 0.0000000 -0.0000000 4.5893351 5 La 4.7467061 0.4166310 0.0000000 0.6439558 3.7985259 0.0000000 0.0000000 -0.0000000 4.5893351 6 La 3.5763234 0.0317650 0.0000000 0.2590897 4.9689087 0.0000000 0.0000000 -0.0000000 4.5893351 7 U 6.1066422 0.2543180 0.0000000 -0.2543179 6.1066422 0.0000000 0.0000000 -0.0000000 6.9375206 8 U 6.1066422 0.2543180 0.0000000 -0.2543179 6.1066422 0.0000000 0.0000000 -0.0000000 6.9375206 9 Cl -1.7747353 0.3616802 0.0000000 0.3963027 -1.1745792 0.0000000 0.0000000 -0.0000000 -1.4737507 10 Cl -0.9964020 0.0530683 0.0000000 0.0876908 -1.9529125 0.0000000 0.0000000 -0.0000000 -1.4737507 11 Cl -1.6528344 -0.4666822 0.0000000 -0.4320597 -1.2964801 0.0000000 0.0000000 -0.0000000 -1.4737507 12 Cl -1.7747353 0.3616802 0.0000000 0.3963027 -1.1745792 0.0000000 0.0000000 -0.0000000 -1.4737507 13 Cl -0.9964020 0.0530683 0.0000000 0.0876908 -1.9529125 0.0000000 0.0000000 -0.0000000 -1.4737507 14 Cl -1.6528344 -0.4666822 0.0000000 -0.4320597 -1.2964801 0.0000000 0.0000000 -0.0000000 -1.4737507 15 O -2.5219379 -0.4105765 -0.6916549 -0.4567774 -2.3115683 -0.4946610 -0.8058390 -0.3938612 -2.7140456 16 O -2.7397359 0.3310317 0.7742165 0.2848307 -2.0937702 -0.3516602 0.7440133 -0.5009465 -2.7140456 17 O -1.9885854 0.1488463 0.0825616 0.1026453 -2.8449207 -0.8463213 -0.0618257 -0.8948076 -2.7140456 18 O -2.7397359 0.3310317 -0.7742165 0.2848307 -2.0937702 0.3516602 -0.7440133 0.5009465 -2.7140456 19 O -1.9885854 0.1488463 0.0825616 0.1026453 -2.8449207 -0.8463213 -0.0618257 -0.8948076 -2.7140456 20 O -2.7397359 0.3310317 -0.7742165 0.2848307 -2.0937702 0.3516602 -0.7440133 0.5009465 -2.7140456 21 O -2.5219379 -0.4105765 -0.6916549 -0.4567774 -2.3115683 -0.4946610 -0.8058390 -0.3938612 -2.7140456 22 O -2.5219379 -0.4105765 0.6916549 -0.4567774 -2.3115683 0.4946610 0.8058390 0.3938612 -2.7140456 23 O -2.5219379 -0.4105765 0.6916549 -0.4567774 -2.3115683 0.4946610 0.8058390 0.3938612 -2.7140456 24 O -1.9885854 0.1488463 -0.0825616 0.1026453 -2.8449207 0.8463213 0.0618257 0.8948076 -2.7140456 25 O -2.7397359 0.3310317 0.7742165 0.2848307 -2.0937702 -0.3516602 0.7440133 -0.5009465 -2.7140456 26 O -1.9885854 0.1488463 -0.0825616 0.1026453 -2.8449207 0.8463213 0.0618257 0.8948076 -2.7140456----------------------------------------------------------------------------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: 156/156Permutation basis: 6162/6162Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 536Number of blocks in projector: 244Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 7--- Eigsh_solver_block: 1 / 7 ---Block_size: 271Use standard eigh solver.--- Eigsh_solver_block: 2 / 7 ---Block_size: 188Use standard eigh solver.--- Eigsh_solver_block: 3 / 7 ---Block_size: 73Use standard eigh solver.--- Eigsh_solver_block: 4 / 7 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 5 / 7 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 6 / 7 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 7 / 7 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (536, 515), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (73, 69), data: True|-- (188, 184), data: True|-- (271, 258), data: True-----Solver_atoms: 1 -- 52 / 52Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 320 - Time: 0.203Solver_block: 200 / 320 - Time: 0.214Solver_block: 300 / 320 - Time: 0.212Solver_block: 320 / 320 - Time: 0.054Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.695--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 156/156Permutation basis: 6162/6162Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 536Number of blocks in projector: 244Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 7--- Eigsh_solver_block: 1 / 7 ---Block_size: 271Use standard eigh solver.--- Eigsh_solver_block: 2 / 7 ---Block_size: 188Use standard eigh solver.--- Eigsh_solver_block: 3 / 7 ---Block_size: 73Use standard eigh solver.--- Eigsh_solver_block: 4 / 7 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 5 / 7 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 6 / 7 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 7 / 7 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (536, 515), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (73, 69), data: True|-- (188, 184), data: True|-- (271, 258), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 11:01:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 11:01:57]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 1 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/m (176)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.440671260027001 0.000000000000000 0.000000000000000 b -4.720335630013500 8.175861139961029 0.000000000000000 c 0.000000000000000 0.000000000000000 5.577785370000000Atomic positions (fractional): 1 La 0.09133982965320 0.68702813977399 0.75000000000000 138.905 2 La 0.31297186022601 0.40431168987921 0.75000000000000 138.905 3 La 0.68702813977399 0.59568831012079 0.25000000000000 138.905 4 La 0.40431168987921 0.09133982965320 0.25000000000000 138.905 5 La 0.90866017034680 0.31297186022601 0.25000000000000 138.905 6 La 0.59568831012079 0.90866017034680 0.75000000000000 138.905 7 U 0.66666666666667 0.33333333333333 0.75000000000000 238.029 8 U 0.33333333333333 0.66666666666667 0.25000000000000 238.029 9 Cl 0.80898157045248 0.75012250577670 0.75000000000000 35.453 10 Cl 0.24987749422330 0.05885906467578 0.75000000000000 35.453 11 Cl 0.94114093532422 0.19101842954752 0.75000000000000 35.453 12 Cl 0.19101842954752 0.24987749422330 0.25000000000000 35.453 13 Cl 0.75012250577670 0.94114093532422 0.25000000000000 35.453 14 Cl 0.05885906467578 0.80898157045248 0.25000000000000 35.453 15 O 0.15201250310556 0.51721679525392 0.00731002586854 15.999 16 O 0.48278320474608 0.63479570785164 0.00731002586854 15.999 17 O 0.36520429214836 0.84798749689443 0.49268997413146 15.999 18 O 0.51721679525392 0.36520429214836 0.50731002586854 15.999 19 O 0.63479570785164 0.15201250310556 0.50731002586854 15.999 20 O 0.48278320474608 0.63479570785164 0.49268997413146 15.999 21 O 0.84798749689443 0.48278320474608 0.99268997413146 15.999 22 O 0.15201250310556 0.51721679525392 0.49268997413146 15.999 23 O 0.84798749689443 0.48278320474608 0.50731002586854 15.999 24 O 0.36520429214836 0.84798749689443 0.00731002586854 15.999 25 O 0.51721679525392 0.36520429214836 0.99268997413146 15.999 26 O 0.63479570785164 0.15201250310556 0.99268997413146 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 9.440671260027001 0.000000000000000 0.000000000000000 b -4.720335630013500 8.175861139961029 0.000000000000000 c 0.000000000000000 0.000000000000000 11.155570740000000Atomic positions (fractional): 1 La 0.09133982965320 0.68702813977399 0.37500000000000 138.905 > 1 2 La 0.09133982965320 0.68702813977399 0.87500000000000 138.905 > 1 3 La 0.31297186022601 0.40431168987921 0.37500000000000 138.905 > 3 4 La 0.31297186022601 0.40431168987921 0.87500000000000 138.905 > 3 5 La 0.68702813977399 0.59568831012079 0.12500000000000 138.905 > 5 6 La 0.68702813977399 0.59568831012079 0.62500000000000 138.905 > 5 7 La 0.40431168987921 0.09133982965320 0.12500000000000 138.905 > 7 8 La 0.40431168987921 0.09133982965320 0.62500000000000 138.905 > 7 9 La 0.90866017034680 0.31297186022601 0.12500000000000 138.905 > 9 10 La 0.90866017034680 0.31297186022601 0.62500000000000 138.905 > 9 11 La 0.59568831012079 0.90866017034680 0.37500000000000 138.905 > 11 12 La 0.59568831012079 0.90866017034680 0.87500000000000 138.905 > 11 13 U 0.66666666666667 0.33333333333333 0.37500000000000 238.029 > 13 14 U 0.66666666666667 0.33333333333333 0.87500000000000 238.029 > 13 15 U 0.33333333333333 0.66666666666667 0.12500000000000 238.029 > 15 16 U 0.33333333333333 0.66666666666667 0.62500000000000 238.029 > 15 17 Cl 0.80898157045248 0.75012250577670 0.37500000000000 35.453 > 17 18 Cl 0.80898157045248 0.75012250577670 0.87500000000000 35.453 > 17 19 Cl 0.24987749422330 0.05885906467578 0.37500000000000 35.453 > 19 20 Cl 0.24987749422330 0.05885906467578 0.87500000000000 35.453 > 19 21 Cl 0.94114093532422 0.19101842954752 0.37500000000000 35.453 > 21 22 Cl 0.94114093532422 0.19101842954752 0.87500000000000 35.453 > 21 23 Cl 0.19101842954752 0.24987749422330 0.12500000000000 35.453 > 23 24 Cl 0.19101842954752 0.24987749422330 0.62500000000000 35.453 > 23 25 Cl 0.75012250577670 0.94114093532422 0.12500000000000 35.453 > 25 26 Cl 0.75012250577670 0.94114093532422 0.62500000000000 35.453 > 25 27 Cl 0.05885906467578 0.80898157045248 0.12500000000000 35.453 > 27 28 Cl 0.05885906467578 0.80898157045248 0.62500000000000 35.453 > 27 29 O 0.15201250310556 0.51721679525392 0.00365501293427 15.999 > 29 30 O 0.15201250310556 0.51721679525392 0.50365501293427 15.999 > 29 31 O 0.48278320474608 0.63479570785164 0.00365501293427 15.999 > 31 32 O 0.48278320474608 0.63479570785164 0.50365501293427 15.999 > 31 33 O 0.36520429214836 0.84798749689443 0.24634498706573 15.999 > 33 34 O 0.36520429214836 0.84798749689443 0.74634498706573 15.999 > 33 35 O 0.51721679525392 0.36520429214836 0.25365501293427 15.999 > 35 36 O 0.51721679525392 0.36520429214836 0.75365501293427 15.999 > 35 37 O 0.63479570785164 0.15201250310556 0.25365501293427 15.999 > 37 38 O 0.63479570785164 0.15201250310556 0.75365501293427 15.999 > 37 39 O 0.48278320474608 0.63479570785164 0.24634498706573 15.999 > 39 40 O 0.48278320474608 0.63479570785164 0.74634498706573 15.999 > 39 41 O 0.84798749689443 0.48278320474608 0.49634498706573 15.999 > 41 42 O 0.84798749689443 0.48278320474608 0.99634498706573 15.999 > 41 43 O 0.15201250310556 0.51721679525392 0.24634498706573 15.999 > 43 44 O 0.15201250310556 0.51721679525392 0.74634498706573 15.999 > 43 45 O 0.84798749689443 0.48278320474608 0.25365501293427 15.999 > 45 46 O 0.84798749689443 0.48278320474608 0.75365501293427 15.999 > 45 47 O 0.36520429214836 0.84798749689443 0.00365501293427 15.999 > 47 48 O 0.36520429214836 0.84798749689443 0.50365501293427 15.999 > 47 49 O 0.51721679525392 0.36520429214836 0.49634498706573 15.999 > 49 50 O 0.51721679525392 0.36520429214836 0.99634498706573 15.999 > 49 51 O 0.63479570785164 0.15201250310556 0.49634498706573 15.999 > 51 52 O 0.63479570785164 0.15201250310556 0.99634498706573 15.999 > 51----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.0649526 0.0000073 0.0000000 -0.0000073 5.0649526 0.0000000 0.0000000 0.0000000 5.3088841-------------------------- Born effective charges -------------------------- 1 La 4.7467061 0.4166310 0.0000000 0.6439558 3.7985259 0.0000000 0.0000000 -0.0000000 4.5893351 2 La 4.4948186 -0.7893832 0.0000000 -0.5620584 4.0504135 0.0000000 0.0000000 -0.0000000 4.5893351 3 La 4.4948186 -0.7893832 0.0000000 -0.5620584 4.0504135 0.0000000 0.0000000 -0.0000000 4.5893351 4 La 3.5763234 0.0317650 0.0000000 0.2590897 4.9689087 0.0000000 0.0000000 -0.0000000 4.5893351 5 La 4.7467061 0.4166310 0.0000000 0.6439558 3.7985259 0.0000000 0.0000000 -0.0000000 4.5893351 6 La 3.5763234 0.0317650 0.0000000 0.2590897 4.9689087 0.0000000 0.0000000 -0.0000000 4.5893351 7 U 6.1066422 0.2543180 0.0000000 -0.2543179 6.1066422 0.0000000 0.0000000 -0.0000000 6.9375206 8 U 6.1066422 0.2543180 0.0000000 -0.2543179 6.1066422 0.0000000 0.0000000 -0.0000000 6.9375206 9 Cl -1.7747353 0.3616802 0.0000000 0.3963027 -1.1745792 0.0000000 0.0000000 -0.0000000 -1.4737507 10 Cl -0.9964020 0.0530683 0.0000000 0.0876908 -1.9529125 0.0000000 0.0000000 -0.0000000 -1.4737507 11 Cl -1.6528344 -0.4666822 0.0000000 -0.4320597 -1.2964801 0.0000000 0.0000000 -0.0000000 -1.4737507 12 Cl -1.7747353 0.3616802 0.0000000 0.3963027 -1.1745792 0.0000000 0.0000000 -0.0000000 -1.4737507 13 Cl -0.9964020 0.0530683 0.0000000 0.0876908 -1.9529125 0.0000000 0.0000000 -0.0000000 -1.4737507 14 Cl -1.6528344 -0.4666822 0.0000000 -0.4320597 -1.2964801 0.0000000 0.0000000 -0.0000000 -1.4737507 15 O -2.5219379 -0.4105765 -0.6916549 -0.4567774 -2.3115683 -0.4946610 -0.8058390 -0.3938612 -2.7140456 16 O -2.7397359 0.3310317 0.7742165 0.2848307 -2.0937702 -0.3516602 0.7440133 -0.5009465 -2.7140456 17 O -1.9885854 0.1488463 0.0825616 0.1026453 -2.8449207 -0.8463213 -0.0618257 -0.8948076 -2.7140456 18 O -2.7397359 0.3310317 -0.7742165 0.2848307 -2.0937702 0.3516602 -0.7440133 0.5009465 -2.7140456 19 O -1.9885854 0.1488463 0.0825616 0.1026453 -2.8449207 -0.8463213 -0.0618257 -0.8948076 -2.7140456 20 O -2.7397359 0.3310317 -0.7742165 0.2848307 -2.0937702 0.3516602 -0.7440133 0.5009465 -2.7140456 21 O -2.5219379 -0.4105765 -0.6916549 -0.4567774 -2.3115683 -0.4946610 -0.8058390 -0.3938612 -2.7140456 22 O -2.5219379 -0.4105765 0.6916549 -0.4567774 -2.3115683 0.4946610 0.8058390 0.3938612 -2.7140456 23 O -2.5219379 -0.4105765 0.6916549 -0.4567774 -2.3115683 0.4946610 0.8058390 0.3938612 -2.7140456 24 O -1.9885854 0.1488463 -0.0825616 0.1026453 -2.8449207 0.8463213 0.0618257 0.8948076 -2.7140456 25 O -2.7397359 0.3310317 0.7742165 0.2848307 -2.0937702 -0.3516602 0.7440133 -0.5009465 -2.7140456 26 O -1.9885854 0.1488463 -0.0825616 0.1026453 -2.8449207 0.8463213 0.0618257 0.8948076 -2.7140456----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 13, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 29, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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: 0.00000009 (xxx) 0.00000009 (xxx) 0.00000009 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 11:02:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 11:02:02]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 1 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/m (176)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.440671260027001 0.000000000000000 0.000000000000000 b -4.720335630013500 8.175861139961029 0.000000000000000 c 0.000000000000000 0.000000000000000 5.577785370000000Atomic positions (fractional): 1 La 0.09133982965320 0.68702813977399 0.75000000000000 138.905 2 La 0.31297186022601 0.40431168987921 0.75000000000000 138.905 3 La 0.68702813977399 0.59568831012079 0.25000000000000 138.905 4 La 0.40431168987921 0.09133982965320 0.25000000000000 138.905 5 La 0.90866017034680 0.31297186022601 0.25000000000000 138.905 6 La 0.59568831012079 0.90866017034680 0.75000000000000 138.905 7 U 0.66666666666667 0.33333333333333 0.75000000000000 238.029 8 U 0.33333333333333 0.66666666666667 0.25000000000000 238.029 9 Cl 0.80898157045248 0.75012250577670 0.75000000000000 35.453 10 Cl 0.24987749422330 0.05885906467578 0.75000000000000 35.453 11 Cl 0.94114093532422 0.19101842954752 0.75000000000000 35.453 12 Cl 0.19101842954752 0.24987749422330 0.25000000000000 35.453 13 Cl 0.75012250577670 0.94114093532422 0.25000000000000 35.453 14 Cl 0.05885906467578 0.80898157045248 0.25000000000000 35.453 15 O 0.15201250310556 0.51721679525392 0.00731002586854 15.999 16 O 0.48278320474608 0.63479570785164 0.00731002586854 15.999 17 O 0.36520429214836 0.84798749689443 0.49268997413146 15.999 18 O 0.51721679525392 0.36520429214836 0.50731002586854 15.999 19 O 0.63479570785164 0.15201250310556 0.50731002586854 15.999 20 O 0.48278320474608 0.63479570785164 0.49268997413146 15.999 21 O 0.84798749689443 0.48278320474608 0.99268997413146 15.999 22 O 0.15201250310556 0.51721679525392 0.49268997413146 15.999 23 O 0.84798749689443 0.48278320474608 0.50731002586854 15.999 24 O 0.36520429214836 0.84798749689443 0.00731002586854 15.999 25 O 0.51721679525392 0.36520429214836 0.99268997413146 15.999 26 O 0.63479570785164 0.15201250310556 0.99268997413146 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 9.440671260027001 0.000000000000000 0.000000000000000 b -4.720335630013500 8.175861139961029 0.000000000000000 c 0.000000000000000 0.000000000000000 11.155570740000000Atomic positions (fractional): 1 La 0.09133982965320 0.68702813977399 0.37500000000000 138.905 > 1 2 La 0.09133982965320 0.68702813977399 0.87500000000000 138.905 > 1 3 La 0.31297186022601 0.40431168987921 0.37500000000000 138.905 > 3 4 La 0.31297186022601 0.40431168987921 0.87500000000000 138.905 > 3 5 La 0.68702813977399 0.59568831012079 0.12500000000000 138.905 > 5 6 La 0.68702813977399 0.59568831012079 0.62500000000000 138.905 > 5 7 La 0.40431168987921 0.09133982965320 0.12500000000000 138.905 > 7 8 La 0.40431168987921 0.09133982965320 0.62500000000000 138.905 > 7 9 La 0.90866017034680 0.31297186022601 0.12500000000000 138.905 > 9 10 La 0.90866017034680 0.31297186022601 0.62500000000000 138.905 > 9 11 La 0.59568831012079 0.90866017034680 0.37500000000000 138.905 > 11 12 La 0.59568831012079 0.90866017034680 0.87500000000000 138.905 > 11 13 U 0.66666666666667 0.33333333333333 0.37500000000000 238.029 > 13 14 U 0.66666666666667 0.33333333333333 0.87500000000000 238.029 > 13 15 U 0.33333333333333 0.66666666666667 0.12500000000000 238.029 > 15 16 U 0.33333333333333 0.66666666666667 0.62500000000000 238.029 > 15 17 Cl 0.80898157045248 0.75012250577670 0.37500000000000 35.453 > 17 18 Cl 0.80898157045248 0.75012250577670 0.87500000000000 35.453 > 17 19 Cl 0.24987749422330 0.05885906467578 0.37500000000000 35.453 > 19 20 Cl 0.24987749422330 0.05885906467578 0.87500000000000 35.453 > 19 21 Cl 0.94114093532422 0.19101842954752 0.37500000000000 35.453 > 21 22 Cl 0.94114093532422 0.19101842954752 0.87500000000000 35.453 > 21 23 Cl 0.19101842954752 0.24987749422330 0.12500000000000 35.453 > 23 24 Cl 0.19101842954752 0.24987749422330 0.62500000000000 35.453 > 23 25 Cl 0.75012250577670 0.94114093532422 0.12500000000000 35.453 > 25 26 Cl 0.75012250577670 0.94114093532422 0.62500000000000 35.453 > 25 27 Cl 0.05885906467578 0.80898157045248 0.12500000000000 35.453 > 27 28 Cl 0.05885906467578 0.80898157045248 0.62500000000000 35.453 > 27 29 O 0.15201250310556 0.51721679525392 0.00365501293427 15.999 > 29 30 O 0.15201250310556 0.51721679525392 0.50365501293427 15.999 > 29 31 O 0.48278320474608 0.63479570785164 0.00365501293427 15.999 > 31 32 O 0.48278320474608 0.63479570785164 0.50365501293427 15.999 > 31 33 O 0.36520429214836 0.84798749689443 0.24634498706573 15.999 > 33 34 O 0.36520429214836 0.84798749689443 0.74634498706573 15.999 > 33 35 O 0.51721679525392 0.36520429214836 0.25365501293427 15.999 > 35 36 O 0.51721679525392 0.36520429214836 0.75365501293427 15.999 > 35 37 O 0.63479570785164 0.15201250310556 0.25365501293427 15.999 > 37 38 O 0.63479570785164 0.15201250310556 0.75365501293427 15.999 > 37 39 O 0.48278320474608 0.63479570785164 0.24634498706573 15.999 > 39 40 O 0.48278320474608 0.63479570785164 0.74634498706573 15.999 > 39 41 O 0.84798749689443 0.48278320474608 0.49634498706573 15.999 > 41 42 O 0.84798749689443 0.48278320474608 0.99634498706573 15.999 > 41 43 O 0.15201250310556 0.51721679525392 0.24634498706573 15.999 > 43 44 O 0.15201250310556 0.51721679525392 0.74634498706573 15.999 > 43 45 O 0.84798749689443 0.48278320474608 0.25365501293427 15.999 > 45 46 O 0.84798749689443 0.48278320474608 0.75365501293427 15.999 > 45 47 O 0.36520429214836 0.84798749689443 0.00365501293427 15.999 > 47 48 O 0.36520429214836 0.84798749689443 0.50365501293427 15.999 > 47 49 O 0.51721679525392 0.36520429214836 0.49634498706573 15.999 > 49 50 O 0.51721679525392 0.36520429214836 0.99634498706573 15.999 > 49 51 O 0.63479570785164 0.15201250310556 0.49634498706573 15.999 > 51 52 O 0.63479570785164 0.15201250310556 0.99634498706573 15.999 > 51----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.0649526 0.0000073 0.0000000 -0.0000073 5.0649526 0.0000000 0.0000000 0.0000000 5.3088841-------------------------- Born effective charges -------------------------- 1 La 4.7467061 0.4166310 0.0000000 0.6439558 3.7985259 0.0000000 0.0000000 -0.0000000 4.5893351 2 La 4.4948186 -0.7893832 0.0000000 -0.5620584 4.0504135 0.0000000 0.0000000 -0.0000000 4.5893351 3 La 4.4948186 -0.7893832 0.0000000 -0.5620584 4.0504135 0.0000000 0.0000000 -0.0000000 4.5893351 4 La 3.5763234 0.0317650 0.0000000 0.2590897 4.9689087 0.0000000 0.0000000 -0.0000000 4.5893351 5 La 4.7467061 0.4166310 0.0000000 0.6439558 3.7985259 0.0000000 0.0000000 -0.0000000 4.5893351 6 La 3.5763234 0.0317650 0.0000000 0.2590897 4.9689087 0.0000000 0.0000000 -0.0000000 4.5893351 7 U 6.1066422 0.2543180 0.0000000 -0.2543179 6.1066422 0.0000000 0.0000000 -0.0000000 6.9375206 8 U 6.1066422 0.2543180 0.0000000 -0.2543179 6.1066422 0.0000000 0.0000000 -0.0000000 6.9375206 9 Cl -1.7747353 0.3616802 0.0000000 0.3963027 -1.1745792 0.0000000 0.0000000 -0.0000000 -1.4737507 10 Cl -0.9964020 0.0530683 0.0000000 0.0876908 -1.9529125 0.0000000 0.0000000 -0.0000000 -1.4737507 11 Cl -1.6528344 -0.4666822 0.0000000 -0.4320597 -1.2964801 0.0000000 0.0000000 -0.0000000 -1.4737507 12 Cl -1.7747353 0.3616802 0.0000000 0.3963027 -1.1745792 0.0000000 0.0000000 -0.0000000 -1.4737507 13 Cl -0.9964020 0.0530683 0.0000000 0.0876908 -1.9529125 0.0000000 0.0000000 -0.0000000 -1.4737507 14 Cl -1.6528344 -0.4666822 0.0000000 -0.4320597 -1.2964801 0.0000000 0.0000000 -0.0000000 -1.4737507 15 O -2.5219379 -0.4105765 -0.6916549 -0.4567774 -2.3115683 -0.4946610 -0.8058390 -0.3938612 -2.7140456 16 O -2.7397359 0.3310317 0.7742165 0.2848307 -2.0937702 -0.3516602 0.7440133 -0.5009465 -2.7140456 17 O -1.9885854 0.1488463 0.0825616 0.1026453 -2.8449207 -0.8463213 -0.0618257 -0.8948076 -2.7140456 18 O -2.7397359 0.3310317 -0.7742165 0.2848307 -2.0937702 0.3516602 -0.7440133 0.5009465 -2.7140456 19 O -1.9885854 0.1488463 0.0825616 0.1026453 -2.8449207 -0.8463213 -0.0618257 -0.8948076 -2.7140456 20 O -2.7397359 0.3310317 -0.7742165 0.2848307 -2.0937702 0.3516602 -0.7440133 0.5009465 -2.7140456 21 O -2.5219379 -0.4105765 -0.6916549 -0.4567774 -2.3115683 -0.4946610 -0.8058390 -0.3938612 -2.7140456 22 O -2.5219379 -0.4105765 0.6916549 -0.4567774 -2.3115683 0.4946610 0.8058390 0.3938612 -2.7140456 23 O -2.5219379 -0.4105765 0.6916549 -0.4567774 -2.3115683 0.4946610 0.8058390 0.3938612 -2.7140456 24 O -1.9885854 0.1488463 -0.0825616 0.1026453 -2.8449207 0.8463213 0.0618257 0.8948076 -2.7140456 25 O -2.7397359 0.3310317 0.7742165 0.2848307 -2.0937702 -0.3516602 0.7440133 -0.5009465 -2.7140456 26 O -1.9885854 0.1488463 -0.0825616 0.1026453 -2.8449207 0.8463213 0.0618257 0.8948076 -2.7140456----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000009 (xxx) 0.00000009 (xxx) 0.00000009 (xxx)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 6 6 9 ]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: 0.55, Number of G-points: 271, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/40) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 2.204 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.741 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 3.245 ( 0.000 0.000 0.000) 0.000 3.245 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.348 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 8.300 ( 0.000 0.000 0.000) 0.000 8.631 ( 0.000 0.000 0.000) 0.000 8.876 ( 0.000 0.000 0.000) 0.000 8.876 ( 0.000 0.000 0.000) 0.000 9.183 ( 0.000 0.000 0.000) 0.000 9.183 ( 0.000 0.000 0.000) 0.000 9.205 ( 0.000 0.000 0.000) 0.000 9.837 ( 0.000 0.000 0.000) 0.000 9.994 ( 0.000 0.000 0.000) 0.000 10.093 ( 0.000 0.000 0.000) 0.000 10.093 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.626 ( 0.000 0.000 0.000) 0.000 11.626 ( 0.000 0.000 0.000) 0.000 12.416 ( 0.000 0.000 0.000) 0.000 12.416 ( 0.000 0.000 0.000) 0.000 13.103 ( 0.000 0.000 0.000) 0.000 13.494 ( 0.000 0.000 0.000) 0.000 13.494 ( 0.000 0.000 0.000) 0.000 14.219 ( 0.000 0.000 0.000) 0.000 14.219 ( 0.000 0.000 0.000) 0.000 14.646 ( 0.000 0.000 0.000) 0.000 14.923 ( 0.000 0.000 0.000) 0.000 15.328 ( 0.000 0.000 0.000) 0.000 15.328 ( 0.000 0.000 0.000) 0.000 16.097 ( 0.000 0.000 0.000) 0.000 17.190 ( 0.000 0.000 0.000) 0.000 17.190 ( 0.000 0.000 0.000) 0.000 20.762 ( 0.000 0.000 0.000) 0.000 20.914 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/40) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.443 ( 18.195 10.551 0.000) 21.032 0.481 ( 19.925 11.504 0.000) 23.008 0.922 ( 37.330 21.483 0.000) 43.071 2.109 ( -10.289 -5.939 0.000) 11.881 2.176 ( -2.786 -0.415 0.000) 2.817 2.212 ( 1.035 -0.905 0.000) 1.375 2.407 ( -2.742 -0.583 0.000) 2.803 2.565 ( -10.131 -5.449 0.000) 11.504 2.694 ( -0.324 -0.240 0.000) 0.403 2.772 ( -2.809 -3.824 0.000) 4.745 2.804 ( 6.856 4.030 0.000) 7.952 2.928 ( 1.764 1.298 0.000) 2.190 2.967 ( 3.195 2.723 0.000) 4.198 3.092 ( 8.766 4.964 0.000) 10.073 3.196 ( -2.997 -1.705 0.000) 3.449 3.232 ( -0.966 -0.621 0.000) 1.149 3.372 ( -3.855 -1.860 0.000) 4.280 3.452 ( 1.829 0.861 0.000) 2.022 3.608 ( 4.256 2.477 0.000) 4.924 3.741 ( -7.089 -4.524 0.000) 8.410 3.798 ( -4.141 -1.321 0.000) 4.346 3.936 ( -1.729 -2.011 0.000) 2.652 4.091 ( 5.878 3.739 0.000) 6.966 4.130 ( -4.066 -2.412 0.000) 4.727 4.313 ( -1.489 -0.149 0.000) 1.497 4.397 ( -1.669 -2.584 0.000) 3.077 4.439 ( 2.697 0.046 0.000) 2.697 4.440 ( 0.561 1.298 0.000) 1.414 4.585 ( -1.708 0.175 0.000) 1.717 4.720 ( -4.863 1.019 0.000) 4.969 4.779 ( 1.165 -2.275 0.000) 2.556 4.997 ( -1.206 -0.503 0.000) 1.307 5.026 ( 1.074 0.411 0.000) 1.150 5.065 ( -0.896 -1.371 0.000) 1.638 5.334 ( -1.290 -0.618 0.000) 1.430 5.336 ( -3.702 -2.162 0.000) 4.287 5.613 ( 0.970 0.510 0.000) 1.096 5.627 ( 0.168 0.296 0.000) 0.341 5.771 ( 0.375 0.114 0.000) 0.392 5.779 ( -9.095 -4.813 0.000) 10.290 5.847 ( -4.697 -3.078 0.000) 5.616 5.865 ( 1.044 0.759 0.000) 1.291 5.915 ( 4.247 2.418 0.000) 4.887 6.126 ( 2.564 0.977 0.000) 2.744 6.182 ( 6.063 3.982 0.000) 7.254 6.556 ( -3.348 -1.946 0.000) 3.872 6.836 ( 14.732 8.495 0.000) 17.005 8.225 ( -6.076 -3.508 0.000) 7.016 8.654 ( 1.760 1.031 0.000) 2.040 8.871 ( -0.203 -0.155 0.000) 0.255 9.166 ( -3.072 -1.771 0.000) 3.546 9.191 ( 0.652 0.377 0.000) 0.753 9.271 ( 6.829 3.941 0.000) 7.885 9.822 ( -1.199 -0.706 0.000) 1.392 9.979 ( -1.307 -0.657 0.000) 1.463 10.067 ( -2.031 -1.466 0.000) 2.505 10.090 ( -0.214 0.087 0.000) 0.231 10.778 ( 1.165 0.638 0.000) 1.329 11.275 ( -1.303 0.503 0.000) 1.397 11.314 ( 2.544 0.408 0.000) 2.577 11.589 ( -2.476 -2.136 0.000) 3.270 11.652 ( 2.137 1.823 0.000) 2.809 12.415 ( -0.130 -0.075 0.000) 0.150 12.488 ( 5.935 3.427 0.000) 6.853 12.890 ( -13.237 -7.651 0.000) 15.289 13.600 ( 5.533 3.172 0.000) 6.378 13.704 ( 13.036 7.574 0.000) 15.076 13.998 ( -15.179 -8.763 0.000) 17.527 14.221 ( 0.190 0.109 0.000) 0.219 14.615 ( -2.623 -1.643 0.000) 3.095 15.106 ( 12.088 6.979 0.000) 13.958 15.341 ( 1.213 0.788 0.000) 1.447 16.059 ( -3.142 -1.814 0.000) 3.628 16.997 ( -13.247 -7.290 0.000) 15.121 17.221 ( 2.631 1.034 0.000) 2.826 17.628 ( 4.503 2.724 0.000) 5.263 20.779 ( 1.308 0.763 0.000) 1.515 20.914 ( -0.083 -0.048 0.000) 0.096======================= Grid point 2 (3/40) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( 13.915 8.126 0.000) 16.114 0.921 ( 16.878 9.746 0.000) 19.490 1.684 ( 25.431 13.131 0.000) 28.620 1.833 ( -12.297 -7.096 0.000) 14.197 2.080 ( -8.092 0.031 0.000) 8.092 2.231 ( 5.528 -3.135 0.000) 6.355 2.338 ( -9.156 3.119 0.000) 9.673 2.408 ( 1.327 -2.792 0.000) 3.092 2.683 ( -0.459 -0.461 0.000) 0.650 2.693 ( -1.432 -3.577 0.000) 3.852 2.954 ( 4.700 3.361 0.000) 5.778 2.965 ( 1.751 1.147 0.000) 2.094 3.080 ( 5.447 3.385 0.000) 6.413 3.148 ( -0.455 -0.656 0.000) 0.798 3.205 ( -1.109 -0.857 0.000) 1.401 3.271 ( 5.697 2.250 0.000) 6.125 3.282 ( -4.148 -0.648 0.000) 4.198 3.433 ( -7.500 -3.698 0.000) 8.362 3.569 ( -3.023 -2.730 0.000) 4.073 3.688 ( -5.669 -1.294 0.000) 5.815 3.709 ( 3.736 2.373 0.000) 4.426 3.885 ( -0.531 -3.050 0.000) 3.096 4.041 ( -3.518 -2.455 0.000) 4.290 4.179 ( -1.410 1.546 0.000) 2.093 4.230 ( -7.597 -0.761 0.000) 7.635 4.289 ( -0.114 -3.791 0.000) 3.793 4.423 ( 3.753 -2.663 0.000) 4.602 4.526 ( 2.681 1.990 0.000) 3.339 4.648 ( -3.399 -0.971 0.000) 3.535 4.700 ( 4.356 7.465 0.000) 8.643 4.738 ( -2.441 0.089 0.000) 2.442 4.970 ( -1.299 -0.017 0.000) 1.299 5.011 ( -1.305 -5.665 0.000) 5.814 5.055 ( 1.998 0.110 0.000) 2.001 5.224 ( -5.136 -2.857 0.000) 5.877 5.303 ( -1.303 -0.066 0.000) 1.305 5.635 ( -3.780 -0.932 0.000) 3.893 5.638 ( 1.111 0.630 0.000) 1.277 5.666 ( 2.552 1.467 0.000) 2.943 5.771 ( -0.768 0.144 0.000) 0.781 5.775 ( -1.240 -1.771 0.000) 2.162 5.896 ( 1.713 0.207 0.000) 1.725 6.009 ( 3.016 2.336 0.000) 3.815 6.157 ( 0.870 0.051 0.000) 0.871 6.289 ( 2.642 2.029 0.000) 3.331 6.454 ( -4.537 -2.704 0.000) 5.281 7.215 ( 15.804 9.095 0.000) 18.234 8.035 ( -9.445 -5.449 0.000) 10.904 8.697 ( 1.436 0.899 0.000) 1.694 8.878 ( 1.120 0.477 0.000) 1.218 9.080 ( -3.810 -2.156 0.000) 4.378 9.209 ( 0.695 0.405 0.000) 0.804 9.462 ( 8.481 4.888 0.000) 9.789 9.783 ( -2.081 -1.393 0.000) 2.504 9.939 ( -2.457 -0.156 0.000) 2.462 10.001 ( -2.288 -2.791 0.000) 3.609 10.090 ( -0.069 0.364 0.000) 0.371 10.810 ( 1.445 0.684 0.000) 1.598 11.251 ( -1.880 0.686 0.000) 2.001 11.352 ( 1.043 -0.141 0.000) 1.052 11.526 ( -1.258 -2.308 0.000) 2.629 11.747 ( 5.049 3.796 0.000) 6.317 12.411 ( -0.128 -0.075 0.000) 0.149 12.580 ( -11.949 -6.980 0.000) 13.838 12.679 ( 9.570 5.526 0.000) 11.051 13.618 ( -15.469 -8.931 0.000) 17.862 13.746 ( 5.795 3.218 0.000) 6.629 14.013 ( 12.007 7.382 0.000) 14.095 14.226 ( 0.188 0.109 0.000) 0.217 14.518 ( -5.114 -3.633 0.000) 6.273 15.389 ( 2.452 1.744 0.000) 3.009 15.390 ( 10.908 6.298 0.000) 12.595 15.955 ( -5.335 -3.080 0.000) 6.160 16.677 ( -12.423 -6.892 0.000) 14.207 17.286 ( 2.845 1.126 0.000) 3.060 17.703 ( 1.658 1.170 0.000) 2.030 20.816 ( 1.612 0.958 0.000) 1.875 20.908 ( -0.367 -0.216 0.000) 0.426======================= Grid point 3 (4/40) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( 0.000 0.000 0.000) 0.000 1.180 ( -0.000 -0.000 0.000) 0.000 1.629 ( 0.000 0.000 0.000) 0.000 1.937 ( -0.000 0.000 0.000) 0.000 2.004 ( 0.000 -0.000 0.000) 0.000 2.256 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 -0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.159 ( -0.000 0.000 0.000) 0.000 3.181 ( 0.000 0.000 0.000) 0.000 3.218 ( -0.000 -0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.550 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.267 ( 0.000 -0.000 0.000) 0.000 4.537 ( -0.000 -0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 -0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.137 ( -0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.654 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 5.753 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.915 ( 0.000 0.000 0.000) 0.000 6.052 ( 0.000 0.000 0.000) 0.000 6.164 ( 0.000 0.000 0.000) 0.000 6.322 ( 0.000 0.000 0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 7.868 ( 0.000 -0.000 0.000) 0.000 8.714 ( 0.000 0.000 0.000) 0.000 8.904 ( 0.000 -0.000 0.000) 0.000 9.021 ( 0.000 0.000 0.000) 0.000 9.218 ( 0.000 0.000 0.000) 0.000 9.599 ( 0.000 0.000 0.000) 0.000 9.733 ( -0.000 0.000 0.000) 0.000 9.909 ( 0.000 0.000 0.000) 0.000 9.962 ( 0.000 0.000 0.000) 0.000 10.092 ( 0.000 0.000 0.000) 0.000 10.829 ( 0.000 0.000 0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 11.355 ( 0.000 0.000 0.000) 0.000 11.505 ( 0.000 0.000 0.000) 0.000 11.839 ( 0.000 0.000 0.000) 0.000 12.410 ( 0.000 0.000 0.000) 0.000 12.410 ( 0.000 0.000 0.000) 0.000 12.840 ( 0.000 0.000 0.000) 0.000 13.387 ( 0.000 0.000 0.000) 0.000 13.822 ( 0.000 0.000 0.000) 0.000 14.201 ( 0.000 0.000 0.000) 0.000 14.228 ( 0.000 0.000 0.000) 0.000 14.412 ( 0.000 0.000 0.000) 0.000 15.430 ( 0.000 0.000 0.000) 0.000 15.549 ( 0.000 0.000 0.000) 0.000 15.863 ( 0.000 -0.000 0.000) 0.000 16.512 ( 0.000 0.000 0.000) 0.000 17.321 ( 0.000 0.000 0.000) 0.000 17.721 ( 0.000 0.000 0.000) 0.000 20.840 ( 0.000 0.000 0.000) 0.000 20.901 ( 0.000 0.000 0.000) 0.000======================= Grid point 8 (5/40) =======================q-point: ( 0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.789 ( 11.312 19.404 0.000) 22.460 0.813 ( 10.596 18.350 0.000) 21.190 1.473 ( 14.646 26.559 0.000) 30.330 1.912 ( -7.077 -12.264 0.000) 14.160 2.124 ( 1.105 -5.890 0.000) 5.993 2.214 ( -4.907 2.011 0.000) 5.303 2.338 ( 2.643 -2.459 0.000) 3.610 2.513 ( -0.740 -3.968 0.000) 4.037 2.642 ( -6.826 -3.956 0.000) 7.889 2.681 ( -0.716 -0.955 0.000) 1.194 2.924 ( 4.080 6.320 0.000) 7.522 2.935 ( 1.120 1.008 0.000) 1.507 3.062 ( 2.984 5.000 0.000) 5.823 3.157 ( -0.970 -1.367 0.000) 1.676 3.210 ( -0.967 -1.319 0.000) 1.636 3.227 ( 3.561 6.049 0.000) 7.019 3.356 ( 0.195 -0.655 0.000) 0.683 3.453 ( -0.187 -0.768 0.000) 0.791 3.607 ( -4.189 -5.987 0.000) 7.307 3.685 ( 2.646 4.330 0.000) 5.074 3.739 ( -0.192 -6.439 0.000) 6.442 3.837 ( -6.983 -5.402 0.000) 8.828 4.071 ( -1.868 -2.552 0.000) 3.162 4.189 ( 3.863 4.076 0.000) 5.616 4.220 ( -3.480 -8.778 0.000) 9.443 4.361 ( -2.210 -0.160 0.000) 2.216 4.482 ( -8.743 3.452 0.000) 9.400 4.483 ( 1.982 1.904 0.000) 2.748 4.586 ( 10.831 -4.764 0.000) 11.832 4.674 ( -0.283 0.243 0.000) 0.373 4.720 ( -2.204 -1.819 0.000) 2.857 4.987 ( 0.592 -0.434 0.000) 0.734 5.040 ( -0.311 1.243 0.000) 1.281 5.075 ( -2.513 1.319 0.000) 2.838 5.252 ( -3.161 -5.478 0.000) 6.325 5.295 ( -1.091 -3.343 0.000) 3.517 5.637 ( 0.806 1.699 0.000) 1.881 5.647 ( 1.431 1.972 0.000) 2.436 5.690 ( -0.286 -3.693 0.000) 3.704 5.771 ( 0.210 -0.167 0.000) 0.268 5.777 ( -2.948 -2.125 0.000) 3.634 5.900 ( 0.950 2.696 0.000) 2.859 5.988 ( 2.730 3.785 0.000) 4.667 6.046 ( -2.608 -4.320 0.000) 5.046 6.367 ( 5.208 8.655 0.000) 10.102 6.474 ( -3.377 -5.734 0.000) 6.654 7.103 ( 9.173 15.939 0.000) 18.390 8.092 ( -5.271 -9.133 0.000) 10.545 8.699 ( 1.785 2.970 0.000) 3.465 8.864 ( -0.262 -0.192 0.000) 0.325 9.102 ( -2.328 -4.081 0.000) 4.699 9.206 ( 0.547 0.941 0.000) 1.089 9.406 ( 4.874 8.457 0.000) 9.761 9.795 ( -1.275 -1.992 0.000) 2.365 9.949 ( -0.515 -2.167 0.000) 2.227 10.039 ( -2.164 -0.968 0.000) 2.371 10.074 ( 0.113 -1.532 0.000) 1.536 10.815 ( 1.487 2.831 0.000) 3.198 11.230 ( -0.738 -3.656 0.000) 3.730 11.357 ( 0.253 1.333 0.000) 1.356 11.543 ( -2.038 -1.023 0.000) 2.280 11.722 ( 3.889 5.199 0.000) 6.493 12.411 ( -0.130 -0.223 0.000) 0.258 12.623 ( 5.518 9.556 0.000) 11.035 12.648 ( -8.292 -14.263 0.000) 16.498 13.714 ( -9.786 -16.949 0.000) 19.572 13.721 ( 4.306 7.664 0.000) 8.791 13.927 ( 7.556 12.534 0.000) 14.636 14.226 ( 0.162 0.280 0.000) 0.324 14.555 ( -3.020 -4.324 0.000) 5.274 15.320 ( 7.040 12.194 0.000) 14.080 15.365 ( 1.289 1.731 0.000) 2.158 15.987 ( -2.978 -5.157 0.000) 5.955 16.873 ( -4.505 -9.016 0.000) 10.079 17.132 ( -2.478 -2.762 0.000) 3.711 17.715 ( 2.210 3.537 0.000) 4.170 20.806 ( 1.072 1.815 0.000) 2.108 20.910 ( -0.197 -0.336 0.000) 0.390======================= Grid point 9 (6/40) =======================q-point: ( 0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( 2.213 17.922 0.000) 18.059 1.162 ( 8.607 12.891 0.000) 15.500 1.650 ( -7.419 -10.362 0.000) 12.744 1.802 ( 8.790 0.037 0.000) 8.790 1.991 ( -4.397 -10.011 0.000) 10.934 2.307 ( 5.689 6.326 0.000) 8.508 2.375 ( -4.418 4.094 0.000) 6.023 2.432 ( -2.509 1.242 0.000) 2.800 2.580 ( 4.891 -4.775 0.000) 6.836 2.660 ( 0.097 -1.415 0.000) 1.418 2.993 ( 3.643 4.331 0.000) 5.660 3.037 ( 1.220 4.135 0.000) 4.311 3.140 ( 0.425 -0.069 0.000) 0.430 3.167 ( 3.218 3.463 0.000) 4.727 3.181 ( -0.574 -1.454 0.000) 1.563 3.250 ( -3.837 -0.510 0.000) 3.871 3.344 ( -9.718 -3.275 0.000) 10.255 3.393 ( -0.118 6.076 0.000) 6.077 3.542 ( 0.755 -0.764 0.000) 1.075 3.639 ( -4.425 -3.511 0.000) 5.649 3.717 ( 5.460 -10.892 0.000) 12.184 3.775 ( 1.960 4.200 0.000) 4.635 3.997 ( -4.025 -2.215 0.000) 4.594 4.090 ( 0.779 -7.816 0.000) 7.855 4.246 ( -3.704 4.238 0.000) 5.629 4.340 ( -2.720 4.495 0.000) 5.254 4.441 ( 3.330 2.806 0.000) 4.355 4.514 ( 2.226 -2.924 0.000) 3.674 4.568 ( -2.033 -5.288 0.000) 5.666 4.629 ( 1.636 -7.345 0.000) 7.525 4.880 ( 7.899 7.199 0.000) 10.688 4.980 ( -9.067 2.112 0.000) 9.310 5.000 ( -1.725 2.673 0.000) 3.181 5.052 ( 2.425 -0.019 0.000) 2.425 5.149 ( -2.361 -4.118 0.000) 4.747 5.251 ( 1.024 -4.911 0.000) 5.017 5.661 ( -3.401 2.661 0.000) 4.318 5.665 ( 0.104 1.585 0.000) 1.589 5.701 ( 1.531 2.030 0.000) 2.543 5.743 ( 0.916 -0.409 0.000) 1.003 5.768 ( -0.444 -0.618 0.000) 0.761 5.939 ( -0.173 3.385 0.000) 3.389 5.980 ( 3.741 -10.333 0.000) 10.989 6.068 ( 1.045 3.727 0.000) 3.870 6.351 ( -1.350 -7.138 0.000) 7.265 6.489 ( -2.233 9.738 0.000) 9.991 7.423 ( 8.933 10.937 0.000) 14.122 7.878 ( -6.231 -9.736 0.000) 11.560 8.750 ( -0.768 3.975 0.000) 4.048 8.874 ( 2.072 -0.799 0.000) 2.221 9.020 ( -1.842 -3.302 0.000) 3.781 9.223 ( 0.132 0.809 0.000) 0.819 9.574 ( 4.694 5.302 0.000) 7.082 9.736 ( -2.047 -3.122 0.000) 3.733 9.942 ( 0.522 0.705 0.000) 0.877 9.972 ( -3.742 0.185 0.000) 3.747 10.066 ( 1.152 -2.643 0.000) 2.883 10.872 ( -0.461 5.333 0.000) 5.353 11.172 ( 0.971 -7.152 0.000) 7.218 11.348 ( -0.224 -1.167 0.000) 1.189 11.529 ( -0.677 2.252 0.000) 2.351 11.872 ( 2.959 8.694 0.000) 9.183 12.373 ( -4.661 -12.582 0.000) 13.417 12.407 ( 0.010 -0.246 0.000) 0.247 12.846 ( 5.690 10.602 0.000) 12.033 13.381 ( -7.413 -13.515 0.000) 15.415 13.855 ( 1.212 6.422 0.000) 6.536 14.173 ( 6.816 7.388 0.000) 10.052 14.230 ( 0.018 0.254 0.000) 0.255 14.428 ( -4.555 -5.068 0.000) 6.814 15.414 ( 1.755 0.937 0.000) 1.990 15.548 ( 5.010 8.611 0.000) 9.963 15.863 ( -3.408 -5.868 0.000) 6.786 16.672 ( -11.739 5.412 0.000) 12.927 17.132 ( 8.928 -12.818 0.000) 15.621 17.756 ( -0.544 2.341 0.000) 2.404 20.843 ( 0.678 1.611 0.000) 1.748 20.899 ( -0.287 -0.761 0.000) 0.813======================= Grid point 10 (7/40) =======================q-point: (-0.50 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( -16.671 7.020 0.000) 18.089 1.162 ( -15.468 -1.008 0.000) 15.501 1.650 ( 12.681 1.244 0.000) 12.742 1.837 ( -4.017 -10.557 0.000) 11.296 1.958 ( 9.457 1.701 0.000) 9.609 2.270 ( -5.230 1.378 0.000) 5.408 2.389 ( -6.286 2.976 0.000) 6.955 2.432 ( 1.093 2.288 0.000) 2.535 2.606 ( 4.288 -6.419 0.000) 7.719 2.662 ( 1.310 -0.849 0.000) 1.561 3.002 ( -6.138 -1.658 0.000) 6.358 3.025 ( -4.455 1.216 0.000) 4.618 3.156 ( -0.713 -0.608 0.000) 0.937 3.169 ( -4.817 -0.587 0.000) 4.853 3.179 ( 2.357 -0.230 0.000) 2.368 3.254 ( 2.013 1.413 0.000) 2.459 3.304 ( 5.988 8.920 0.000) 10.744 3.411 ( -3.864 2.708 0.000) 4.718 3.552 ( 1.429 -0.639 0.000) 1.566 3.608 ( 3.580 -0.021 0.000) 3.580 3.750 ( 8.648 -8.523 0.000) 12.142 3.771 ( -4.700 0.520 0.000) 4.729 4.007 ( 4.275 3.028 0.000) 5.239 4.075 ( 5.335 -4.961 0.000) 7.285 4.224 ( -3.369 5.417 0.000) 6.379 4.351 ( -1.565 4.395 0.000) 4.665 4.505 ( -0.356 0.933 0.000) 0.999 4.510 ( 1.133 -3.524 0.000) 3.702 4.554 ( 1.864 -6.686 0.000) 6.941 4.603 ( 7.213 -1.871 0.000) 7.452 4.813 ( -10.367 1.880 0.000) 10.536 4.986 ( -1.844 2.223 0.000) 2.888 5.054 ( 2.855 4.621 0.000) 5.432 5.077 ( -1.377 -2.012 0.000) 2.438 5.140 ( 5.454 0.454 0.000) 5.473 5.238 ( 3.286 -3.820 0.000) 5.039 5.642 ( -1.559 3.643 0.000) 3.963 5.664 ( -1.439 0.697 0.000) 1.599 5.706 ( -2.630 -0.571 0.000) 2.691 5.759 ( 0.496 0.531 0.000) 0.727 5.762 ( 0.672 -0.140 0.000) 0.686 5.948 ( -2.231 1.618 0.000) 2.755 5.978 ( 7.208 -8.632 0.000) 11.246 6.060 ( -4.188 1.071 0.000) 4.323 6.353 ( 6.872 -2.409 0.000) 7.282 6.488 ( -7.437 6.861 0.000) 10.119 7.423 ( -13.922 -2.275 0.000) 14.107 7.878 ( 11.548 0.532 0.000) 11.561 8.749 ( -3.098 2.622 0.000) 4.058 8.877 ( -0.251 -2.209 0.000) 2.223 9.019 ( 3.765 -0.024 0.000) 3.765 9.223 ( -0.769 0.291 0.000) 0.822 9.574 ( -6.909 -1.405 0.000) 7.050 9.738 ( 3.863 0.105 0.000) 3.864 9.922 ( -0.953 1.117 0.000) 1.469 9.998 ( 1.945 2.753 0.000) 3.371 10.059 ( 1.398 -2.859 0.000) 3.183 10.874 ( -4.318 3.093 0.000) 5.311 11.161 ( 4.808 -4.062 0.000) 6.294 11.350 ( 1.327 -0.495 0.000) 1.416 11.540 ( -0.568 1.298 0.000) 1.417 11.865 ( -9.512 1.974 0.000) 9.715 12.375 ( 13.246 -2.284 0.000) 13.442 12.407 ( 0.209 -0.132 0.000) 0.247 12.846 ( -12.027 0.374 0.000) 12.033 13.381 ( 15.411 -0.338 0.000) 15.415 13.857 ( -6.073 2.147 0.000) 6.442 14.163 ( -9.811 -1.861 0.000) 9.986 14.230 ( -0.229 0.111 0.000) 0.255 14.440 ( 6.832 0.985 0.000) 6.903 15.411 ( -1.925 -0.959 0.000) 2.151 15.548 ( -9.963 -0.033 0.000) 9.963 15.863 ( 6.786 0.017 0.000) 6.786 16.669 ( 0.972 12.757 0.000) 12.794 17.137 ( 6.973 -14.088 0.000) 15.719 17.755 ( -1.864 1.693 0.000) 2.518 20.843 ( -1.750 0.226 0.000) 1.765 20.899 ( 0.803 -0.134 0.000) 0.814======================= Grid point 15 (8/40) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( 0.000 -0.000 0.000) 0.000 1.420 ( -5.413 -10.826 0.000) 12.104 1.420 ( 5.413 10.826 0.000) 12.104 1.804 ( -1.152 -2.304 0.000) 2.575 1.804 ( 1.152 2.304 0.000) 2.575 2.402 ( -2.076 -4.152 0.000) 4.642 2.402 ( 2.076 4.152 0.000) 4.642 2.426 ( 0.000 -0.000 0.000) 0.000 2.538 ( -0.000 -0.000 0.000) 0.000 2.642 ( -0.000 -0.000 0.000) 0.000 3.095 ( -0.000 -0.000 0.000) 0.000 3.116 ( -1.594 -3.188 0.000) 3.564 3.116 ( 1.594 3.188 0.000) 3.564 3.158 ( 0.000 -0.000 0.000) 0.000 3.221 ( -1.076 -2.152 0.000) 2.406 3.221 ( 1.076 2.152 0.000) 2.406 3.386 ( -3.592 -7.184 0.000) 8.032 3.386 ( 3.592 7.184 0.000) 8.032 3.546 ( -1.616 -3.231 0.000) 3.612 3.546 ( 1.616 3.231 0.000) 3.612 3.608 ( -0.000 -0.000 0.000) 0.000 3.889 ( -3.125 -6.250 0.000) 6.988 3.889 ( 3.125 6.250 0.000) 6.988 4.020 ( -0.000 -0.000 0.000) 0.000 4.316 ( -0.000 -0.000 0.000) 0.000 4.433 ( -1.964 -3.927 0.000) 4.391 4.433 ( 1.964 3.927 0.000) 4.391 4.491 ( -0.000 -0.000 0.000) 0.000 4.504 ( -0.818 -1.637 0.000) 1.830 4.504 ( 0.818 1.637 0.000) 1.830 4.999 ( -2.051 -4.102 0.000) 4.587 4.999 ( 2.051 4.102 0.000) 4.587 5.058 ( -1.065 -2.130 0.000) 2.382 5.058 ( 1.065 2.130 0.000) 2.382 5.071 ( -0.000 -0.000 0.000) 0.000 5.162 ( -0.000 -0.000 0.000) 0.000 5.683 ( -0.000 -0.000 0.000) 0.000 5.699 ( -0.000 0.000 0.000) 0.000 5.744 ( -0.759 -1.517 0.000) 1.696 5.744 ( 0.759 1.517 0.000) 1.696 5.800 ( -2.828 -5.656 0.000) 6.323 5.800 ( 2.828 5.656 0.000) 6.323 5.980 ( -0.000 -0.000 0.000) 0.000 6.189 ( -3.567 -7.134 0.000) 7.976 6.189 ( 3.567 7.134 0.000) 7.976 6.596 ( -0.000 -0.000 0.000) 0.000 7.655 ( -5.179 -10.359 0.000) 11.581 7.655 ( 5.179 10.359 0.000) 11.581 8.834 ( -1.574 -3.149 0.000) 3.521 8.834 ( 1.574 3.149 0.000) 3.521 8.977 ( -0.000 -0.000 0.000) 0.000 9.233 ( -0.000 -0.000 0.000) 0.000 9.665 ( -1.699 -3.397 0.000) 3.798 9.665 ( 1.699 3.397 0.000) 3.798 9.979 ( -0.900 -1.800 0.000) 2.012 9.979 ( 0.900 1.800 0.000) 2.012 10.008 ( 0.000 -0.000 0.000) 0.000 11.012 ( -3.499 -6.998 0.000) 7.824 11.012 ( 3.499 6.998 0.000) 7.824 11.330 ( -0.000 -0.000 0.000) 0.000 11.556 ( 0.000 -0.000 0.000) 0.000 12.102 ( -5.913 -11.825 0.000) 13.221 12.102 ( 5.913 11.825 0.000) 13.221 12.404 ( -0.000 -0.000 0.000) 0.000 13.098 ( -6.109 -12.217 0.000) 13.659 13.098 ( 6.109 12.217 0.000) 13.659 13.937 ( -0.000 -0.000 0.000) 0.000 14.233 ( -0.000 -0.000 0.000) 0.000 14.309 ( -2.953 -5.906 0.000) 6.603 14.309 ( 2.953 5.906 0.000) 6.603 15.428 ( -0.000 -0.000 0.000) 0.000 15.721 ( -3.562 -7.125 0.000) 7.966 15.721 ( 3.562 7.125 0.000) 7.966 16.860 ( -5.539 -11.077 0.000) 12.385 16.860 ( 5.539 11.077 0.000) 12.385 17.779 ( 0.000 -0.000 0.000) 0.000 20.876 ( -0.658 -1.317 0.000) 1.472 20.876 ( 0.658 1.317 0.000) 1.472======================= Grid point 43 (9/40) =======================q-point: ( 0.00 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.492 ( -0.000 0.000 24.478) 24.478 0.492 ( 0.000 -0.000 24.478) 24.478 1.074 ( 0.000 0.000 52.316) 52.316 2.137 ( 0.000 0.000 -5.876) 5.876 2.137 ( -0.000 -0.000 -5.876) 5.876 2.365 ( 0.000 0.000 9.746) 9.746 2.407 ( 0.000 0.000 -3.267) 3.267 2.407 ( 0.000 0.000 -3.267) 3.267 2.705 ( 0.000 0.000 1.505) 1.505 2.705 ( 0.000 0.000 1.505) 1.505 2.767 ( 0.000 0.000 2.860) 2.860 2.873 ( -0.000 0.000 -0.500) 0.500 3.037 ( 0.000 -0.000 8.664) 8.664 3.037 ( 0.000 0.000 8.664) 8.664 3.252 ( 0.000 0.000 0.255) 0.255 3.252 ( 0.000 0.000 0.255) 0.255 3.410 ( -0.000 0.000 -1.027) 1.027 3.410 ( 0.000 0.000 -1.027) 1.027 3.622 ( 0.000 0.000 4.657) 4.657 3.778 ( 0.000 0.000 -4.561) 4.561 3.826 ( 0.000 0.000 -1.103) 1.103 3.826 ( 0.000 0.000 -1.103) 1.103 3.947 ( -0.000 0.000 -2.205) 2.205 4.245 ( -0.000 0.000 -10.050) 10.050 4.393 ( 0.000 0.000 5.244) 5.244 4.393 ( 0.000 0.000 5.244) 5.244 4.592 ( 0.000 0.000 -4.095) 4.095 4.592 ( 0.000 -0.000 -4.095) 4.095 4.688 ( 0.000 0.000 -6.527) 6.527 4.688 ( -0.000 0.000 -6.527) 6.527 4.691 ( 0.000 -0.000 13.485) 13.485 4.982 ( 0.000 0.000 -3.386) 3.386 4.982 ( 0.000 0.000 -3.386) 3.386 5.137 ( -0.000 0.000 -15.329) 15.329 5.371 ( -0.000 0.000 -2.604) 2.604 5.381 ( -0.000 0.000 -0.889) 0.889 5.644 ( 0.000 0.000 1.164) 1.164 5.705 ( -0.000 0.000 8.002) 8.002 5.737 ( -0.000 0.000 -1.541) 1.541 5.737 ( 0.000 0.000 -1.541) 1.541 5.833 ( 0.000 -0.000 -1.185) 1.185 5.833 ( 0.000 -0.000 -1.185) 1.185 6.184 ( -0.000 0.000 14.378) 14.378 6.184 ( -0.000 0.000 14.378) 14.378 6.224 ( -0.000 0.000 21.620) 21.620 6.224 ( -0.000 0.000 21.620) 21.620 6.859 ( 0.000 0.000 5.914) 5.914 8.294 ( 0.000 0.000 -1.190) 1.190 8.562 ( -0.000 0.000 -5.520) 5.520 8.831 ( -0.000 0.000 -4.267) 4.267 8.831 ( -0.000 0.000 -4.267) 4.267 9.172 ( 0.000 0.000 -3.277) 3.277 9.262 ( -0.000 0.000 7.697) 7.697 9.262 ( 0.000 -0.000 7.697) 7.697 10.137 ( 0.000 -0.000 4.299) 4.299 10.137 ( -0.000 0.000 4.299) 4.299 10.161 ( 0.000 0.000 15.779) 15.779 11.237 ( 0.000 0.000 -4.946) 4.946 11.237 ( 0.000 -0.000 -4.946) 4.946 11.539 ( 0.000 0.000 -7.716) 7.716 11.539 ( 0.000 0.000 -7.716) 7.716 11.960 ( 0.000 0.000 4.708) 4.708 12.538 ( 0.000 0.000 11.409) 11.409 12.538 ( 0.000 0.000 11.409) 11.409 13.035 ( 0.000 0.000 -6.842) 6.842 13.331 ( -0.000 0.000 -14.850) 14.850 13.331 ( 0.000 0.000 -14.850) 14.850 14.350 ( 0.000 0.000 11.564) 11.564 14.350 ( -0.000 0.000 11.564) 11.564 14.457 ( -0.000 0.000 -17.015) 17.015 15.253 ( -0.000 0.000 -7.212) 7.212 15.253 ( -0.000 0.000 -7.212) 7.212 16.293 ( -0.000 0.000 17.644) 17.644 17.111 ( 0.000 0.000 -7.910) 7.910 17.111 ( 0.000 -0.000 -7.910) 7.910 17.781 ( 0.000 0.000 2.481) 2.481 20.737 ( 0.000 0.000 -2.401) 2.401 20.892 ( 0.000 0.000 -2.228) 2.228======================= Grid point 44 (10/40) =======================q-point: ( 0.17 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.655 ( 11.834 6.668 17.711) 22.319 0.832 ( 18.725 10.936 17.605) 27.932 1.306 ( 18.944 10.943 37.884) 43.747 2.097 ( -4.020 -1.793 -3.070) 5.366 2.145 ( 1.053 -0.175 -5.095) 5.205 2.284 ( -6.155 -3.386 10.065) 12.274 2.380 ( -1.501 -1.215 -2.293) 2.998 2.505 ( -7.235 -1.915 -3.408) 8.223 2.596 ( 4.413 0.735 -10.141) 11.083 2.710 ( 0.206 0.356 1.433) 1.491 2.852 ( -0.449 -1.236 -1.221) 1.795 2.892 ( 5.304 3.296 4.598) 7.755 3.039 ( -0.114 0.690 5.708) 5.751 3.104 ( 4.046 1.779 1.773) 4.762 3.233 ( -1.059 0.056 1.475) 1.817 3.271 ( 1.869 0.664 1.723) 2.628 3.382 ( -2.516 -0.298 1.561) 2.976 3.407 ( 0.993 -0.514 -0.342) 1.169 3.652 ( 2.909 1.586 3.660) 4.937 3.738 ( -5.481 -4.593 -0.012) 7.151 3.764 ( -2.615 0.963 -1.234) 3.047 3.855 ( 1.083 -0.602 -4.214) 4.393 3.993 ( 1.852 1.303 -3.629) 4.278 4.286 ( 1.253 1.198 -7.826) 8.016 4.350 ( -3.816 -2.539 6.839) 8.233 4.385 ( -0.837 -1.201 4.791) 5.010 4.478 ( -1.160 -0.743 0.896) 1.643 4.538 ( -2.623 -1.289 -2.377) 3.768 4.596 ( -5.763 -3.225 6.753) 9.445 4.675 ( -2.871 -0.951 -0.928) 3.164 4.712 ( 0.509 0.427 -5.581) 5.620 4.957 ( -1.094 -3.396 -4.914) 6.073 4.988 ( -3.038 3.462 -3.263) 5.644 5.044 ( 1.600 -2.265 -4.375) 5.180 5.294 ( -1.437 -0.985 -2.404) 2.969 5.352 ( -2.522 -1.090 0.179) 2.753 5.634 ( -0.224 -0.328 1.894) 1.935 5.642 ( 0.227 0.515 1.719) 1.808 5.727 ( -0.632 -0.740 -0.690) 1.193 5.839 ( 0.457 0.075 -1.028) 1.127 5.884 ( 3.130 2.269 -0.933) 3.977 5.994 ( -4.187 -1.898 13.228) 14.004 6.036 ( -5.064 -4.221 15.975) 17.282 6.184 ( 4.736 5.050 -1.171) 7.022 6.344 ( 7.003 -0.561 14.036) 15.696 6.398 ( 5.718 6.339 9.649) 12.883 6.975 ( 10.579 6.092 9.223) 15.300 8.229 ( -5.270 -3.054 -0.087) 6.092 8.578 ( 1.179 0.659 -6.114) 6.262 8.801 ( -2.100 -1.255 -7.559) 7.945 8.908 ( 1.947 1.283 -12.810) 13.020 9.271 ( 1.162 0.073 7.442) 7.532 9.346 ( 6.343 4.307 7.124) 10.465 9.465 ( 17.911 10.206 -8.779) 22.406 10.107 ( -2.431 -1.473 4.388) 5.228 10.116 ( -2.078 -1.074 6.764) 7.157 10.154 ( -0.124 -0.128 12.675) 12.677 11.228 ( -0.856 -0.721 -3.330) 3.513 11.263 ( 1.758 1.274 -4.964) 5.418 11.502 ( -5.043 -1.801 -3.312) 6.296 11.548 ( -9.146 -8.318 10.504) 16.222 11.576 ( -6.788 -2.012 6.189) 9.404 12.526 ( -1.266 -0.731 9.980) 10.086 12.597 ( 5.013 2.940 10.190) 11.731 12.807 ( -12.715 -7.410 -7.755) 16.634 13.418 ( 5.715 3.307 -15.390) 16.747 13.552 ( 12.546 7.281 -13.080) 19.532 14.207 ( -13.409 -7.794 14.022) 20.908 14.364 ( 0.510 0.502 12.176) 12.197 14.432 ( -1.940 -1.351 -16.208) 16.379 15.198 ( 1.377 0.935 -1.832) 2.475 15.302 ( 5.167 2.863 -2.256) 6.323 16.244 ( -4.101 -2.309 16.343) 17.007 17.028 ( -9.829 -5.469 -0.962) 11.289 17.140 ( 2.417 1.093 -8.032) 8.458 17.583 ( -5.132 -2.901 -0.573) 5.923 20.753 ( 1.289 0.748 -2.435) 2.855 20.890 ( -0.143 -0.083 -2.303) 2.309======================= Grid point 45 (11/40) =======================q-point: ( 0.33 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.950 ( 11.822 6.342 10.884) 17.275 1.222 ( 14.629 8.697 21.216) 27.199 1.781 ( 14.476 9.231 12.415) 21.187 1.943 ( -7.789 -5.328 6.659) 11.550 2.115 ( -6.356 -4.833 2.239) 8.293 2.197 ( 3.836 2.279 -0.092) 4.462 2.336 ( -6.831 -0.122 0.560) 6.855 2.359 ( 0.518 -0.851 -3.273) 3.422 2.631 ( -0.355 -0.232 -5.958) 5.973 2.728 ( 1.176 0.314 2.692) 2.954 2.855 ( 1.763 -1.213 -3.421) 4.035 3.008 ( 4.144 2.385 1.345) 4.967 3.063 ( 2.025 2.237 -0.434) 3.048 3.157 ( 3.005 -2.381 -1.344) 4.063 3.233 ( -2.150 3.701 -1.182) 4.440 3.278 ( -2.626 -1.107 1.449) 3.197 3.369 ( 2.468 0.453 8.544) 8.905 3.427 ( -1.624 -0.264 0.173) 1.654 3.559 ( -6.398 -4.580 0.857) 7.915 3.719 ( -1.656 -0.218 5.118) 5.383 3.747 ( 2.884 3.637 2.082) 5.087 3.841 ( 1.108 -3.661 -4.386) 5.820 3.985 ( -3.344 -0.277 -1.924) 3.868 4.202 ( -5.813 -3.227 1.182) 6.753 4.292 ( -1.909 0.438 2.628) 3.278 4.377 ( -1.297 -3.979 5.750) 7.111 4.449 ( -0.402 -1.999 3.451) 4.008 4.511 ( 1.205 1.338 -2.780) 3.313 4.576 ( 0.247 -1.284 -6.725) 6.851 4.640 ( 2.246 5.147 -2.278) 6.060 4.696 ( -3.312 1.772 -2.978) 4.794 4.904 ( -0.946 -5.281 -6.913) 8.751 4.959 ( -3.030 2.673 -1.940) 4.482 5.089 ( 4.548 -1.921 -0.689) 4.985 5.270 ( -0.176 -2.933 -0.217) 2.946 5.282 ( -4.240 1.626 0.922) 4.634 5.634 ( 0.223 -0.007 -0.441) 0.494 5.659 ( -0.241 1.044 1.429) 1.786 5.719 ( 1.558 -0.516 1.664) 2.337 5.842 ( -0.317 -0.067 3.361) 3.376 5.886 ( -1.907 -2.405 12.219) 12.599 5.936 ( -2.528 0.629 9.953) 10.288 5.997 ( 2.829 1.280 -0.114) 3.107 6.236 ( -0.716 1.550 2.692) 3.187 6.411 ( 2.944 -4.817 5.604) 7.955 6.475 ( -0.607 4.253 14.221) 14.856 7.301 ( 14.684 8.465 8.195) 18.826 8.061 ( -8.505 -4.969 2.123) 10.077 8.606 ( 1.084 0.522 -7.460) 7.556 8.751 ( -1.759 -1.019 -11.197) 11.381 8.930 ( 0.244 0.477 -8.780) 8.796 9.294 ( 1.099 0.165 7.795) 7.874 9.535 ( 8.479 5.200 6.491) 11.877 9.764 ( 6.288 3.562 -2.887) 7.782 10.036 ( -2.757 -1.446 4.132) 5.173 10.058 ( -2.360 -1.330 8.483) 8.905 10.156 ( 0.346 0.042 8.786) 8.793 11.140 ( -6.184 -4.445 18.355) 19.872 11.266 ( -3.934 1.291 6.105) 7.377 11.307 ( 1.319 -1.045 -4.171) 4.498 11.444 ( -1.925 -2.543 -7.090) 7.774 11.666 ( 5.416 3.756 -7.604) 10.063 12.421 ( -8.796 -5.028 -4.627) 11.138 12.590 ( -3.603 -1.907 6.106) 7.342 12.768 ( 8.928 4.817 8.072) 12.964 13.544 ( 3.462 1.911 -12.707) 13.308 13.734 ( -5.502 -2.606 -0.934) 6.159 13.949 ( 2.782 1.260 0.523) 3.099 14.332 ( -4.850 -1.988 -8.383) 9.887 14.401 ( 1.018 -0.544 6.426) 6.529 15.268 ( 3.169 2.307 -8.847) 9.676 15.488 ( 8.712 4.573 3.747) 10.529 16.114 ( -6.433 -3.262 13.491) 15.298 16.748 ( -10.910 -6.349 7.375) 14.620 17.202 ( 2.680 1.113 -8.310) 8.801 17.559 ( 0.331 0.431 -11.817) 11.829 20.790 ( 1.609 0.948 -2.493) 3.115 20.884 ( -0.442 -0.260 -2.455) 2.508======================= Grid point 46 (12/40) =======================q-point: (-0.50 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.110 ( 0.000 0.000 8.283) 8.283 1.466 ( 0.000 -0.000 23.057) 23.057 1.738 ( 0.000 0.000 9.219) 9.219 1.960 ( -0.000 0.000 2.026) 2.026 2.015 ( 0.000 0.000 2.400) 2.400 2.244 ( 0.000 0.000 -3.416) 3.416 2.325 ( 0.000 0.000 2.949) 2.949 2.364 ( 0.000 0.000 -5.086) 5.086 2.634 ( 0.000 0.000 -3.412) 3.412 2.741 ( 0.000 -0.000 5.055) 5.055 2.871 ( 0.000 0.000 -4.238) 4.238 3.108 ( -0.000 -0.000 -4.439) 4.439 3.134 ( -0.000 -0.000 4.193) 4.193 3.141 ( 0.000 0.000 -0.768) 0.768 3.190 ( 0.000 0.000 -3.674) 3.674 3.260 ( 0.000 0.000 1.738) 1.738 3.303 ( 0.000 0.000 6.598) 6.598 3.411 ( 0.000 0.000 8.895) 8.895 3.517 ( 0.000 0.000 -4.042) 4.042 3.695 ( 0.000 0.000 8.649) 8.649 3.798 ( 0.000 0.000 0.266) 0.266 3.865 ( -0.000 0.000 -8.414) 8.414 3.916 ( 0.000 0.000 6.953) 6.953 4.113 ( 0.000 0.000 1.148) 1.148 4.285 ( 0.000 0.000 1.010) 1.010 4.320 ( 0.000 -0.000 8.875) 8.875 4.451 ( 0.000 0.000 -5.828) 5.828 4.531 ( 0.000 0.000 -5.364) 5.364 4.561 ( 0.000 0.000 1.892) 1.892 4.665 ( 0.000 0.000 -0.607) 0.607 4.781 ( -0.000 -0.000 -8.782) 8.782 4.799 ( 0.000 0.000 -5.005) 5.005 4.948 ( 0.000 0.000 -1.689) 1.689 5.137 ( 0.000 0.000 0.295) 0.295 5.217 ( -0.000 0.000 4.346) 4.346 5.272 ( 0.000 0.000 -1.359) 1.359 5.637 ( 0.000 0.000 -1.421) 1.421 5.659 ( 0.000 0.000 2.197) 2.197 5.745 ( 0.000 0.000 -0.446) 0.446 5.839 ( 0.000 0.000 15.089) 15.089 5.848 ( 0.000 -0.000 6.170) 6.170 5.918 ( 0.000 0.000 4.003) 4.003 6.040 ( 0.000 0.000 -0.927) 0.927 6.230 ( 0.000 0.000 1.638) 1.638 6.398 ( 0.000 0.000 5.845) 5.845 6.494 ( 0.000 0.000 16.426) 16.426 7.532 ( 0.000 0.000 6.852) 6.852 7.908 ( 0.000 0.000 3.664) 3.664 8.619 ( 0.000 0.000 -8.088) 8.088 8.729 ( 0.000 0.000 -12.587) 12.587 8.934 ( 0.000 0.000 -6.695) 6.695 9.306 ( 0.000 0.000 7.850) 7.850 9.684 ( 0.000 0.000 6.771) 6.771 9.782 ( 0.000 0.000 2.723) 2.723 10.020 ( 0.000 0.000 4.337) 4.337 10.020 ( -0.000 -0.000 8.645) 8.645 10.161 ( 0.000 0.000 6.833) 6.833 11.056 ( 0.000 0.000 20.149) 20.149 11.246 ( 0.000 0.000 2.075) 2.075 11.313 ( 0.000 0.000 -4.617) 4.617 11.412 ( 0.000 0.000 -8.259) 8.259 11.763 ( 0.000 0.000 -7.483) 7.483 12.275 ( 0.000 0.000 -8.968) 8.968 12.562 ( 0.000 0.000 10.258) 10.258 12.914 ( 0.000 0.000 6.314) 6.314 13.499 ( 0.000 0.000 9.689) 9.689 13.661 ( 0.000 0.000 -13.224) 13.224 14.090 ( -0.000 0.000 -9.503) 9.503 14.227 ( 0.000 0.000 -11.906) 11.906 14.413 ( 0.000 0.000 10.793) 10.793 15.320 ( 0.000 0.000 -9.961) 9.961 15.606 ( 0.000 0.000 3.030) 3.030 16.019 ( 0.000 -0.000 12.748) 12.748 16.605 ( 0.000 0.000 10.089) 10.089 17.235 ( 0.000 0.000 -8.438) 8.438 17.564 ( 0.000 0.000 -13.763) 13.763 20.814 ( 0.000 0.000 -2.496) 2.496 20.875 ( 0.000 0.000 -2.558) 2.558======================= Grid point 51 (13/40) =======================q-point: ( 0.17 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.911 ( 8.696 15.960 11.370) 21.438 1.115 ( 8.963 14.942 19.845) 26.409 1.650 ( 10.391 17.634 19.357) 28.172 2.005 ( -3.925 -7.523 4.955) 9.826 2.130 ( -2.964 -1.950 1.098) 3.714 2.221 ( -0.412 -0.507 1.927) 2.034 2.301 ( -0.797 -4.095 -0.799) 4.247 2.454 ( -0.038 -4.857 -4.278) 6.472 2.576 ( -3.200 -1.819 -5.075) 6.269 2.710 ( -0.261 -0.308 -0.324) 0.518 2.875 ( 0.616 4.479 -1.846) 4.883 2.983 ( 2.623 4.840 2.898) 6.221 3.037 ( 1.266 -0.295 0.930) 1.598 3.145 ( -1.423 1.309 -2.652) 3.282 3.248 ( 3.269 0.195 2.758) 4.282 3.317 ( 0.900 3.807 2.329) 4.553 3.371 ( 2.632 -1.655 1.697) 3.542 3.399 ( -2.477 0.859 1.173) 2.872 3.630 ( -3.898 -5.542 2.594) 7.255 3.699 ( 1.243 1.781 1.377) 2.571 3.746 ( 1.832 -3.515 0.991) 4.086 3.819 ( -4.869 -0.306 -0.613) 4.917 3.997 ( -0.053 -1.920 -3.989) 4.427 4.270 ( -4.279 -4.870 3.577) 7.404 4.281 ( 2.126 -2.585 2.982) 4.482 4.372 ( -4.427 0.898 -1.290) 4.698 4.481 ( 0.623 -0.676 -0.463) 1.030 4.525 ( -4.566 -0.660 5.698) 7.331 4.557 ( 5.892 2.050 -4.088) 7.458 4.641 ( -1.044 -3.905 -1.064) 4.180 4.649 ( 0.114 -3.356 -4.269) 5.431 4.924 ( -1.698 0.097 -6.630) 6.845 4.995 ( 3.167 -0.981 -3.708) 4.974 5.077 ( -2.751 4.206 -1.282) 5.187 5.247 ( -2.104 -3.606 -1.391) 4.400 5.317 ( -0.251 -2.307 1.468) 2.746 5.637 ( 0.055 0.501 0.047) 0.506 5.656 ( 1.513 0.734 1.195) 2.063 5.719 ( -0.951 0.405 0.564) 1.178 5.843 ( -0.029 0.233 2.513) 2.524 5.907 ( -2.147 -1.177 11.652) 11.907 5.951 ( 2.695 -1.157 5.010) 5.805 5.995 ( -0.936 0.882 8.392) 8.490 6.166 ( -0.682 -3.588 8.603) 9.346 6.382 ( -2.670 -0.491 -2.515) 3.701 6.539 ( 5.326 7.084 15.581) 17.926 7.198 ( 8.301 14.420 8.685) 18.769 8.113 ( -4.726 -8.101 1.578) 9.511 8.606 ( 1.010 1.915 -7.370) 7.681 8.759 ( -1.340 -2.294 -10.204) 10.544 8.921 ( 0.210 -0.206 -10.149) 10.153 9.302 ( 0.547 1.943 8.761) 8.990 9.474 ( 5.193 8.255 5.907) 11.402 9.712 ( 5.673 9.935 -5.795) 12.824 10.045 ( -1.754 -3.128 5.911) 6.913 10.102 ( -0.554 -1.426 4.292) 4.557 10.136 ( -0.852 -0.938 11.991) 12.058 11.202 ( -4.530 -2.049 5.148) 7.157 11.237 ( -0.105 -8.168 13.230) 15.548 11.330 ( -1.595 -1.981 2.872) 3.837 11.462 ( -2.541 -1.926 -6.556) 7.290 11.637 ( 3.906 5.589 -7.759) 10.329 12.515 ( -0.576 -0.867 9.416) 9.474 12.541 ( -6.978 -12.607 -8.644) 16.803 12.744 ( 4.132 7.700 9.625) 13.000 13.527 ( 3.277 5.790 -14.440) 15.899 13.733 ( 3.472 5.187 -9.642) 11.486 13.965 ( -5.898 -9.661 11.101) 15.854 14.366 ( 0.459 -2.805 -2.164) 3.573 14.392 ( -2.396 -0.114 -0.570) 2.466 15.243 ( 2.071 2.848 -7.861) 8.614 15.437 ( 5.332 9.887 3.722) 11.834 16.150 ( -3.592 -6.788 14.025) 15.989 16.918 ( -4.767 -8.858 4.185) 10.895 17.070 ( -1.790 -1.869 -5.640) 6.206 17.576 ( 0.984 1.387 -11.193) 11.321 20.781 ( 1.051 1.794 -2.492) 3.245 20.886 ( -0.241 -0.411 -2.412) 2.458======================= Grid point 52 (14/40) =======================q-point: ( 0.33 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( 1.980 15.061 6.553) 16.544 1.418 ( 9.693 9.585 19.397) 23.708 1.782 ( -7.891 -9.697 9.938) 15.970 1.880 ( 4.964 0.946 8.401) 9.803 2.032 ( -3.588 -4.985 4.948) 7.887 2.267 ( 0.755 3.247 -2.997) 4.482 2.320 ( 2.175 1.278 -4.417) 5.086 2.380 ( -3.297 -0.146 -3.225) 4.615 2.538 ( 3.711 -6.119 -1.867) 7.396 2.704 ( 0.891 -1.375 0.154) 1.646 2.957 ( -0.802 8.934 0.898) 9.014 3.075 ( 4.930 2.275 -0.963) 5.514 3.084 ( 3.003 1.872 -2.542) 4.357 3.124 ( -0.238 0.084 -0.652) 0.699 3.255 ( -4.450 -0.267 0.745) 4.519 3.341 ( -2.423 3.087 0.773) 4.000 3.378 ( 1.598 0.922 7.286) 7.516 3.397 ( -5.298 -1.536 3.292) 6.424 3.510 ( -1.232 -0.296 -0.737) 1.466 3.676 ( 0.207 -7.379 1.886) 7.619 3.723 ( 2.665 -3.311 3.068) 5.242 3.836 ( 2.066 4.847 1.458) 5.466 3.956 ( -2.034 -1.948 0.125) 2.819 4.123 ( -3.411 -5.713 4.986) 8.315 4.303 ( -4.192 1.500 -0.219) 4.458 4.335 ( 3.482 0.944 -0.231) 3.615 4.452 ( -1.279 0.746 2.442) 2.856 4.487 ( 0.819 -1.827 -2.132) 2.925 4.532 ( -2.106 -3.318 -3.935) 5.562 4.628 ( 3.227 -7.355 1.472) 8.165 4.766 ( 5.943 6.199 -7.448) 11.367 4.867 ( -6.671 1.816 -7.501) 10.201 5.043 ( -5.232 4.264 -0.352) 6.759 5.062 ( 5.422 -0.222 -0.563) 5.456 5.188 ( 0.205 -4.217 1.520) 4.487 5.284 ( -0.787 -1.943 2.385) 3.175 5.646 ( -0.122 0.990 -1.526) 1.823 5.685 ( -1.014 1.024 0.251) 1.463 5.716 ( 1.472 0.449 0.684) 1.684 5.839 ( -0.082 -1.415 10.651) 10.745 5.881 ( -1.320 3.054 8.555) 9.179 5.943 ( -1.536 0.598 5.658) 5.894 6.047 ( 1.116 2.744 -0.808) 3.071 6.129 ( 3.499 -7.473 11.588) 14.226 6.303 ( -0.552 -5.877 -2.385) 6.367 6.649 ( -2.074 8.703 15.017) 17.480 7.496 ( 8.455 10.231 6.973) 14.992 7.918 ( -5.792 -8.852 3.677) 11.200 8.638 ( -0.187 2.378 -9.020) 9.330 8.723 ( -0.276 -1.576 -12.038) 12.144 8.917 ( 0.482 -1.378 -6.949) 7.101 9.327 ( -0.323 2.231 9.085) 9.360 9.651 ( 5.383 5.594 6.243) 9.962 9.795 ( -1.115 -0.990 2.914) 3.273 10.019 ( 0.418 0.809 4.811) 4.897 10.056 ( -3.215 0.386 6.940) 7.658 10.128 ( 1.728 -2.597 7.207) 7.853 11.084 ( -3.110 -0.629 18.142) 18.418 11.200 ( 1.211 -4.939 4.013) 6.478 11.312 ( -0.273 -0.879 -3.594) 3.710 11.427 ( -0.820 1.082 -9.291) 9.390 11.793 ( 3.218 8.920 -7.588) 12.145 12.272 ( -5.884 -10.554 -8.708) 14.894 12.512 ( 1.556 -2.936 8.522) 9.147 12.944 ( 4.550 11.363 9.042) 15.218 13.482 ( -5.428 -11.254 7.377) 14.510 13.701 ( -0.592 3.567 -11.544) 12.097 14.046 ( 6.364 6.213 -10.354) 13.650 14.267 ( -4.915 -4.246 -13.806) 15.258 14.399 ( 0.966 0.197 12.898) 12.936 15.310 ( 1.826 1.761 -9.478) 9.812 15.626 ( 3.333 8.664 4.588) 10.355 16.003 ( -3.058 -7.727 11.326) 14.048 16.730 ( -9.515 3.913 6.590) 12.218 17.081 ( 7.391 -10.080 -4.241) 13.199 17.597 ( -0.658 1.874 -14.565) 14.700 20.817 ( 0.698 1.594 -2.537) 3.076 20.873 ( -0.328 -0.807 -2.540) 2.685======================= Grid point 53 (15/40) =======================q-point: (-0.50 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( -13.717 5.849 7.085) 16.510 1.415 ( -13.543 -3.764 18.818) 23.489 1.749 ( 8.944 1.427 9.301) 12.982 1.930 ( -0.014 -4.135 6.636) 7.819 2.019 ( 6.874 1.216 8.176) 10.751 2.259 ( -1.561 1.998 -3.535) 4.350 2.311 ( -4.990 -1.361 -1.936) 5.523 2.374 ( 1.172 1.882 -4.826) 5.310 2.544 ( 3.875 -5.354 -3.268) 7.374 2.707 ( 1.066 -1.690 0.293) 2.020 2.972 ( -5.578 5.262 -0.394) 7.678 3.059 ( -5.053 -3.034 0.790) 5.946 3.093 ( -2.784 -1.956 -2.272) 4.091 3.154 ( 0.735 -2.200 -2.189) 3.189 3.259 ( -3.019 2.007 4.430) 5.724 3.289 ( 2.954 8.414 -0.995) 8.973 3.366 ( 2.270 1.836 4.758) 5.582 3.407 ( -1.544 -0.342 4.760) 5.016 3.530 ( 1.891 1.741 -2.290) 3.443 3.658 ( 3.885 -3.734 5.925) 8.009 3.736 ( 2.596 -3.625 0.856) 4.541 3.868 ( -4.030 -2.148 1.656) 4.858 3.927 ( 3.005 2.841 -0.332) 4.148 4.131 ( 6.891 0.087 4.728) 8.357 4.267 ( -1.668 1.750 1.711) 2.962 4.382 ( -0.179 2.266 1.857) 2.935 4.456 ( 1.674 -4.855 -5.395) 7.449 4.491 ( 2.059 3.593 -1.875) 4.546 4.550 ( 4.749 -1.664 0.245) 5.038 4.597 ( 2.109 -6.355 1.114) 6.787 4.715 ( -9.863 1.974 -6.829) 12.157 4.902 ( 1.774 3.274 -7.133) 8.046 5.003 ( -3.138 2.789 -2.530) 4.902 5.146 ( -1.110 -1.199 0.817) 1.827 5.164 ( 5.511 -2.211 1.165) 6.051 5.273 ( 1.382 -0.105 2.520) 2.875 5.647 ( -0.710 0.592 -1.383) 1.664 5.665 ( -1.260 1.020 0.661) 1.751 5.742 ( -0.131 -0.941 -0.784) 1.231 5.828 ( 0.743 0.067 12.778) 12.800 5.906 ( -0.295 3.240 14.048) 14.420 5.922 ( -1.281 0.622 -1.460) 2.039 6.042 ( -2.771 0.269 0.182) 2.790 6.123 ( 3.924 -6.113 10.048) 12.399 6.316 ( 6.478 -3.163 -1.320) 7.329 6.646 ( -6.977 6.404 15.046) 17.778 7.496 ( -13.071 -2.197 6.930) 14.957 7.919 ( 10.593 0.566 3.739) 11.248 8.640 ( -1.899 1.341 -8.922) 9.220 8.722 ( 1.504 -0.558 -12.017) 12.123 8.915 ( 0.742 -1.035 -7.209) 7.321 9.330 ( -1.488 1.316 9.436) 9.643 9.648 ( -7.683 -1.803 5.751) 9.765 9.796 ( 1.437 0.429 3.086) 3.431 10.018 ( -0.999 0.138 6.017) 6.101 10.055 ( 1.212 2.792 5.372) 6.174 10.131 ( 1.512 -2.697 7.642) 8.243 11.091 ( 2.672 2.655 18.856) 19.228 11.185 ( 2.301 -3.407 3.341) 5.297 11.314 ( 1.056 -0.299 -3.665) 3.826 11.437 ( 0.420 0.855 -9.362) 9.410 11.789 ( -9.679 1.806 -7.396) 12.314 12.272 ( 12.010 -0.180 -8.769) 14.872 12.512 ( 1.745 -2.796 8.429) 9.051 12.946 ( -11.985 1.675 9.286) 15.253 13.481 ( 12.556 -0.913 7.278) 14.541 13.699 ( -3.117 2.343 -11.921) 12.543 14.046 ( -8.385 -2.382 -9.720) 13.056 14.264 ( 5.636 2.127 -12.732) 14.085 14.406 ( 0.049 -0.858 11.437) 11.469 15.306 ( -2.755 -0.565 -9.337) 9.751 15.632 ( -8.963 1.277 4.658) 10.181 15.996 ( 7.986 -1.025 10.958) 13.598 16.730 ( 1.404 10.071 7.085) 12.393 17.084 ( 5.311 -11.471 -4.514) 13.423 17.596 ( -1.426 1.571 -14.567) 14.720 20.817 ( -1.740 0.199 -2.532) 3.079 20.873 ( 0.864 -0.121 -2.540) 2.685======================= Grid point 58 (16/40) =======================q-point: ( 0.33 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.416 ( 0.000 -0.000 2.916) 2.916 1.585 ( -3.530 -7.060 12.826) 15.060 1.585 ( 3.530 7.060 12.826) 15.060 1.913 ( -1.619 -3.237 11.250) 11.818 1.913 ( 1.619 3.237 11.250) 11.818 2.335 ( -1.704 -3.409 -5.070) 6.343 2.335 ( 1.704 3.409 -5.070) 6.343 2.336 ( -0.000 -0.000 -7.434) 7.434 2.479 ( -0.000 -0.000 -2.672) 2.672 2.689 ( -0.000 -0.000 1.459) 1.459 3.076 ( -0.826 -1.652 -3.032) 3.550 3.076 ( 0.826 1.652 -3.032) 3.550 3.076 ( -0.000 -0.000 -2.462) 2.462 3.253 ( 0.000 0.000 9.205) 9.205 3.272 ( -1.741 -3.483 0.872) 3.990 3.272 ( 1.741 3.483 0.872) 3.990 3.407 ( -1.489 -2.978 3.377) 4.742 3.407 ( 1.489 2.978 3.377) 4.742 3.524 ( -1.133 -2.267 0.340) 2.557 3.524 ( 1.133 2.267 0.340) 2.557 3.696 ( -0.000 -0.000 5.814) 5.814 3.895 ( -0.000 -0.000 -7.211) 7.211 3.989 ( -2.841 -5.683 8.360) 10.500 3.989 ( 2.841 5.683 8.360) 10.500 4.355 ( 0.000 -0.000 0.382) 0.382 4.384 ( -1.444 -2.888 -5.895) 6.722 4.384 ( 1.444 2.888 -5.895) 6.722 4.502 ( -1.412 -2.823 1.532) 3.509 4.502 ( 1.412 2.823 1.532) 3.509 4.506 ( -0.000 -0.000 2.039) 2.039 4.873 ( -1.649 -3.297 -7.944) 8.757 4.873 ( 1.649 3.297 -7.944) 8.757 5.047 ( -0.000 -0.000 -1.038) 1.038 5.122 ( -1.076 -2.151 1.541) 2.857 5.122 ( 1.076 2.151 1.541) 2.857 5.245 ( -0.000 -0.000 4.778) 4.778 5.659 ( -0.000 -0.000 -1.979) 1.979 5.710 ( -0.837 -1.674 -1.267) 2.260 5.710 ( 0.837 1.674 -1.267) 2.260 5.818 ( -0.000 -0.000 13.136) 13.136 5.945 ( -0.000 -0.000 -3.408) 3.408 5.977 ( -2.232 -4.464 14.771) 15.591 5.977 ( 2.232 4.464 14.771) 15.591 6.166 ( -3.046 -6.093 -1.841) 7.056 6.166 ( 3.046 6.093 -1.841) 7.056 6.747 ( -0.000 -0.000 14.448) 14.448 7.713 ( -4.843 -9.685 5.469) 12.131 7.713 ( 4.843 9.685 5.469) 12.131 8.687 ( -0.924 -1.847 -11.261) 11.449 8.687 ( 0.924 1.847 -11.261) 11.449 8.899 ( -0.000 -0.000 -6.173) 6.173 9.353 ( -0.000 -0.000 10.454) 10.454 9.745 ( -1.592 -3.184 5.667) 6.692 9.745 ( 1.592 3.184 5.667) 6.692 10.057 ( -0.000 -0.000 4.858) 4.858 10.067 ( -1.046 -2.092 6.499) 6.907 10.067 ( 1.046 2.092 6.499) 6.907 11.113 ( -1.361 -2.721 10.539) 10.969 11.113 ( 1.361 2.721 10.539) 10.969 11.297 ( -0.000 -0.000 -3.355) 3.355 11.442 ( -0.000 -0.000 -10.774) 10.774 12.021 ( -5.722 -11.445 -7.812) 14.992 12.021 ( 5.722 11.445 -7.812) 14.992 12.486 ( -0.000 -0.000 7.269) 7.269 13.207 ( -6.235 -12.471 10.201) 17.276 13.207 ( 6.235 12.471 10.201) 17.276 13.758 ( -0.000 -0.000 -14.437) 14.437 14.167 ( -2.471 -4.942 -12.929) 14.060 14.167 ( 2.471 4.942 -12.929) 14.060 14.400 ( -0.000 -0.000 13.521) 13.521 15.333 ( -0.000 -0.000 -9.243) 9.243 15.819 ( -4.311 -8.622 7.175) 12.016 15.819 ( 4.311 8.622 7.175) 12.016 16.871 ( -4.188 -8.377 2.242) 9.630 16.871 ( 4.188 8.377 2.242) 9.630 17.616 ( 0.000 -0.000 -15.486) 15.486 20.850 ( -0.660 -1.320 -2.575) 2.969 20.850 ( 0.660 1.320 -2.575) 2.969======================= Grid point 86 (17/40) =======================q-point: ( 0.00 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( 0.000 0.000 22.806) 22.806 0.966 ( 0.000 0.000 22.806) 22.806 2.004 ( 0.000 0.000 -6.815) 6.815 2.004 ( 0.000 0.000 -6.815) 6.815 2.048 ( -0.000 0.000 44.344) 44.344 2.336 ( -0.000 -0.000 -3.058) 3.058 2.336 ( -0.000 0.000 -3.058) 3.058 2.564 ( 0.000 -0.000 8.716) 8.716 2.760 ( -0.000 0.000 3.324) 3.324 2.760 ( 0.000 -0.000 3.324) 3.324 2.865 ( 0.000 -0.000 6.547) 6.547 2.866 ( -0.000 0.000 -0.105) 0.105 3.160 ( -0.000 0.000 2.474) 2.474 3.160 ( 0.000 0.000 2.474) 2.474 3.241 ( 0.000 0.000 -1.312) 1.312 3.241 ( -0.000 0.000 -1.312) 1.312 3.423 ( -0.000 0.000 2.648) 2.648 3.423 ( -0.000 -0.000 2.648) 2.648 3.658 ( 0.000 -0.000 -2.027) 2.027 3.726 ( 0.000 0.000 0.193) 0.193 3.834 ( 0.000 0.000 1.636) 1.636 3.834 ( 0.000 0.000 1.636) 1.636 3.974 ( 0.000 0.000 5.855) 5.855 4.023 ( 0.000 0.000 -11.342) 11.342 4.429 ( 0.000 0.000 -4.320) 4.320 4.429 ( 0.000 0.000 -4.320) 4.320 4.555 ( 0.000 0.000 3.083) 3.083 4.555 ( 0.000 -0.000 3.083) 3.083 4.565 ( -0.000 0.000 -4.742) 4.742 4.565 ( -0.000 -0.000 -4.742) 4.742 4.777 ( 0.000 0.000 -19.864) 19.864 4.877 ( -0.000 0.000 -6.819) 6.819 4.877 ( 0.000 0.000 -6.819) 6.819 4.954 ( -0.000 0.000 11.127) 11.127 5.317 ( 0.000 -0.000 -5.145) 5.145 5.325 ( -0.000 0.000 -1.334) 1.334 5.692 ( 0.000 0.000 3.487) 3.487 5.717 ( -0.000 0.000 -0.494) 0.494 5.717 ( 0.000 0.000 -0.494) 0.494 5.808 ( -0.000 0.000 -1.438) 1.438 5.808 ( 0.000 0.000 -1.438) 1.438 5.857 ( 0.000 0.000 6.428) 6.428 6.545 ( 0.000 0.000 20.656) 20.656 6.545 ( 0.000 0.000 20.656) 20.656 6.774 ( 0.000 0.000 31.598) 31.598 6.774 ( 0.000 0.000 31.598) 31.598 7.009 ( 0.000 -0.000 8.797) 8.797 8.207 ( -0.000 -0.000 -8.243) 8.243 8.491 ( 0.000 0.000 -0.268) 0.268 8.723 ( 0.000 0.000 -5.870) 5.870 8.723 ( 0.000 0.000 -5.870) 5.870 9.079 ( 0.000 0.000 -5.943) 5.943 9.464 ( -0.000 0.000 11.356) 11.356 9.464 ( 0.000 0.000 11.356) 11.356 10.258 ( -0.000 0.000 7.619) 7.619 10.258 ( 0.000 -0.000 7.619) 7.619 10.571 ( 0.000 -0.000 24.161) 24.161 11.078 ( 0.000 -0.000 -10.742) 10.742 11.078 ( 0.000 0.000 -10.742) 10.742 11.374 ( 0.000 0.000 -7.610) 7.610 11.374 ( 0.000 0.000 -7.610) 7.610 12.101 ( -0.000 -0.000 9.451) 9.451 12.835 ( 0.000 -0.000 -13.098) 13.098 12.837 ( -0.000 -0.000 18.000) 18.000 12.837 ( 0.000 0.000 18.000) 18.000 12.947 ( -0.000 0.000 -23.139) 23.139 12.947 ( 0.000 0.000 -23.139) 23.139 14.043 ( 0.000 0.000 -23.253) 23.253 14.598 ( 0.000 0.000 9.732) 9.732 14.598 ( 0.000 0.000 9.732) 9.732 15.086 ( -0.000 0.000 -6.247) 6.247 15.086 ( 0.000 -0.000 -6.247) 6.247 16.717 ( 0.000 0.000 23.387) 23.387 16.882 ( 0.000 0.000 -14.819) 14.819 16.882 ( 0.000 0.000 -14.819) 14.819 17.838 ( -0.000 0.000 2.749) 2.749 20.676 ( 0.000 0.000 -3.380) 3.380 20.827 ( 0.000 0.000 -4.136) 4.136======================= Grid point 87 (18/40) =======================q-point: ( 0.17 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( 6.249 3.366 19.991) 21.214 1.167 ( 14.393 8.553 16.884) 23.778 1.998 ( -0.192 -0.980 -4.866) 4.967 2.025 ( 0.945 1.710 -4.262) 4.688 2.112 ( 4.617 2.405 32.292) 32.709 2.332 ( 0.180 -0.048 -0.319) 0.370 2.409 ( 4.931 2.995 -2.073) 6.130 2.510 ( -4.125 -2.423 9.402) 10.549 2.582 ( -10.008 -6.138 6.269) 13.309 2.755 ( -1.258 0.957 2.772) 3.191 2.849 ( 0.007 -1.510 0.789) 1.704 2.941 ( 2.789 1.423 0.865) 3.248 3.115 ( -3.024 -1.313 0.928) 3.425 3.138 ( -1.705 -0.827 0.532) 1.969 3.241 ( 0.319 -1.073 0.091) 1.123 3.273 ( 1.453 2.079 -0.750) 2.645 3.414 ( -0.568 -0.182 1.760) 1.858 3.457 ( 2.686 1.068 2.738) 3.982 3.661 ( -0.006 0.261 -3.662) 3.672 3.769 ( 1.970 1.510 1.473) 2.886 3.784 ( -2.852 -2.048 3.325) 4.836 3.830 ( -0.180 -0.263 2.970) 2.987 4.005 ( 1.463 0.974 4.453) 4.788 4.094 ( 5.822 3.258 -9.364) 11.498 4.368 ( -3.472 -2.275 -3.875) 5.679 4.429 ( -0.777 0.284 -3.789) 3.879 4.463 ( -5.455 -3.340 1.218) 6.511 4.542 ( -0.700 -4.130 0.188) 4.193 4.562 ( -0.178 1.379 -0.470) 1.467 4.590 ( 0.093 2.758 -5.442) 6.102 4.774 ( -1.114 -0.394 -9.933) 10.003 4.820 ( -2.786 -4.725 2.035) 5.851 4.888 ( -0.292 3.590 -6.288) 7.246 4.965 ( 1.778 -0.591 0.824) 2.047 5.267 ( -2.221 -1.648 -0.389) 2.793 5.306 ( -1.193 -0.283 -4.604) 4.764 5.666 ( -2.321 -1.410 0.851) 2.846 5.691 ( -0.061 0.124 2.991) 2.994 5.731 ( 0.512 -0.105 0.738) 0.904 5.810 ( 0.068 0.589 -1.781) 1.877 5.852 ( 3.472 1.728 -1.887) 4.313 6.027 ( 8.464 4.914 -2.159) 10.022 6.449 ( -5.188 -5.472 22.811) 24.025 6.465 ( -6.951 -1.170 23.158) 24.207 6.705 ( -2.040 -1.925 20.759) 20.948 6.844 ( 3.679 2.524 28.460) 28.808 7.209 ( 12.690 7.313 14.842) 20.851 8.171 ( -3.000 -1.733 -6.932) 7.750 8.497 ( 0.157 0.138 -0.303) 0.368 8.630 ( -4.627 -3.067 -7.348) 9.209 8.742 ( 1.322 1.202 -6.369) 6.615 9.295 ( 13.152 7.226 -7.009) 16.563 9.493 ( 2.709 2.488 11.060) 11.656 9.536 ( 6.040 2.840 10.480) 12.425 10.231 ( -2.204 -1.224 7.876) 8.270 10.247 ( -0.856 -0.538 7.879) 7.943 10.503 ( -4.897 -2.836 18.131) 18.994 11.087 ( 0.734 0.454 -11.261) 11.294 11.138 ( 4.369 2.486 -5.556) 7.493 11.359 ( -1.190 -0.667 -7.018) 7.149 11.394 ( 1.760 0.995 -6.995) 7.281 11.947 ( -11.039 -6.366 15.583) 20.130 12.527 ( -14.820 -8.590 -15.426) 23.052 12.814 ( -3.099 5.610 5.386) 8.372 12.833 ( 3.529 -6.058 12.476) 14.311 13.081 ( 7.975 5.629 -10.474) 14.318 13.240 ( 13.901 7.755 -16.615) 23.010 14.027 ( -1.495 -0.911 -22.713) 22.780 14.468 ( -11.015 -6.314 10.255) 16.321 14.635 ( 2.399 1.353 10.988) 11.328 15.054 ( -1.540 -0.849 -6.812) 7.035 15.218 ( 10.173 5.831 -5.008) 12.750 16.579 ( -9.285 -5.150 10.675) 15.056 16.895 ( 1.178 -0.392 -13.775) 13.831 16.952 ( 3.158 2.702 -3.048) 5.154 17.650 ( -12.688 -7.330 5.623) 15.695 20.691 ( 1.169 0.676 -3.517) 3.768 20.824 ( -0.268 -0.155 -4.211) 4.223======================= Grid point 88 (19/40) =======================q-point: ( 0.33 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.214 ( 7.382 3.436 14.247) 16.409 1.532 ( 14.484 9.436 10.657) 20.308 1.978 ( -0.871 -1.437 -1.325) 2.140 2.066 ( 1.560 1.983 -1.648) 3.013 2.170 ( -0.664 -0.014 14.753) 14.768 2.321 ( -9.373 -5.903 7.378) 13.309 2.331 ( -1.999 -1.222 3.983) 4.620 2.422 ( -2.302 -2.182 5.193) 6.085 2.538 ( 4.484 2.709 2.595) 5.846 2.774 ( 0.984 4.760 2.496) 5.465 2.852 ( 2.349 -2.727 2.012) 4.124 2.988 ( 2.065 0.048 -3.088) 3.715 3.076 ( -0.141 1.078 1.336) 1.723 3.095 ( -1.866 -0.395 -4.240) 4.649 3.230 ( 0.785 -2.942 1.138) 3.250 3.288 ( -2.164 2.706 -0.078) 3.466 3.426 ( 1.945 -0.114 1.315) 2.351 3.519 ( 2.215 1.151 2.649) 3.640 3.623 ( -5.684 -0.972 2.207) 6.174 3.712 ( 0.258 -1.510 -2.177) 2.662 3.790 ( -0.585 -1.239 -0.081) 1.373 3.857 ( 1.667 1.547 5.603) 6.047 4.033 ( 1.223 1.303 4.757) 5.081 4.193 ( -0.256 -1.114 0.104) 1.148 4.315 ( -4.367 -3.703 -4.132) 7.061 4.357 ( 1.567 1.421 -0.423) 2.158 4.422 ( 1.219 1.364 -4.790) 5.127 4.489 ( 1.251 -3.125 0.759) 3.451 4.571 ( -2.850 1.415 4.319) 5.364 4.612 ( -2.604 5.207 -4.606) 7.424 4.692 ( -2.424 -4.081 4.082) 6.260 4.771 ( 1.559 -4.348 -4.694) 6.585 4.898 ( -3.590 4.418 -3.437) 6.650 5.022 ( 5.582 -1.511 -5.002) 7.647 5.247 ( 0.648 -0.510 -0.701) 1.082 5.268 ( -2.774 0.010 -3.565) 4.517 5.622 ( -1.265 -0.928 -0.589) 1.676 5.691 ( -0.602 0.394 1.581) 1.737 5.729 ( 0.426 -0.914 -0.149) 1.019 5.824 ( 0.488 0.853 -2.152) 2.366 5.941 ( 3.688 2.059 -2.319) 4.818 6.149 ( 2.031 1.319 -3.112) 3.943 6.309 ( -3.329 -5.048 23.495) 24.261 6.337 ( -6.281 0.194 22.198) 23.071 6.674 ( -0.161 -1.354 17.625) 17.678 6.912 ( 1.536 1.465 26.518) 26.603 7.516 ( 12.256 7.119 12.396) 18.830 8.071 ( -5.273 -3.097 -3.042) 6.830 8.488 ( -0.981 -0.143 -2.603) 2.785 8.550 ( -1.527 -2.006 -6.581) 7.047 8.782 ( 1.155 1.680 -5.945) 6.285 9.464 ( 2.968 -0.047 5.570) 6.312 9.669 ( 6.586 8.535 2.933) 11.173 9.719 ( 10.536 2.823 4.265) 11.712 10.165 ( -2.934 -1.517 8.518) 9.136 10.218 ( -1.442 -0.945 8.492) 8.665 10.378 ( -5.108 -3.061 9.675) 11.361 11.108 ( 0.766 0.563 -12.826) 12.861 11.234 ( 2.515 1.505 -1.114) 3.135 11.340 ( 0.723 -0.129 0.617) 0.959 11.464 ( 4.062 2.682 -9.558) 10.727 11.680 ( -10.183 -5.861 21.082) 24.135 12.204 ( -11.908 -6.767 -15.473) 20.665 12.814 ( -2.202 3.139 12.922) 13.478 12.883 ( 6.108 -2.162 -4.464) 7.868 13.293 ( 8.627 6.709 -3.517) 11.480 13.528 ( 9.583 5.494 -14.705) 18.392 13.960 ( -3.953 -3.448 -20.080) 20.754 14.151 ( -13.412 -7.030 11.235) 18.856 14.688 ( 1.891 0.971 14.385) 14.541 15.048 ( 0.892 0.638 -10.891) 10.946 15.472 ( 9.467 5.271 -4.597) 11.770 16.349 ( -9.332 -4.502 5.352) 11.662 16.889 ( -0.083 -3.346 -3.978) 5.199 17.017 ( 0.828 3.246 -0.497) 3.387 17.392 ( -7.474 -4.513 -0.950) 8.783 20.725 ( 1.502 0.877 -3.805) 4.183 20.814 ( -0.567 -0.333 -4.339) 4.388======================= Grid point 89 (20/40) =======================q-point: (-0.50 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.310 ( 0.000 0.000 10.738) 10.738 1.778 ( -0.000 -0.000 3.684) 3.684 1.927 ( 0.000 0.000 8.611) 8.611 2.096 ( -0.000 0.000 5.728) 5.728 2.140 ( 0.000 0.000 14.285) 14.285 2.186 ( 0.000 0.000 -0.551) 0.551 2.286 ( 0.000 0.000 1.003) 1.003 2.395 ( 0.000 0.000 2.067) 2.067 2.596 ( 0.000 0.000 2.086) 2.086 2.825 ( 0.000 -0.000 2.981) 2.981 2.856 ( 0.000 0.000 1.166) 1.166 3.012 ( 0.000 0.000 -5.029) 5.029 3.065 ( 0.000 0.000 -7.159) 7.159 3.124 ( 0.000 0.000 -1.514) 1.514 3.209 ( 0.000 0.000 3.679) 3.679 3.298 ( 0.000 0.000 1.749) 1.749 3.455 ( 0.000 0.000 7.108) 7.108 3.486 ( -0.000 -0.000 1.941) 1.941 3.573 ( 0.000 0.000 3.211) 3.211 3.734 ( -0.000 0.000 -3.121) 3.121 3.757 ( 0.000 0.000 -1.919) 1.919 3.879 ( 0.000 0.000 5.129) 5.129 4.079 ( -0.000 -0.000 5.568) 5.568 4.136 ( 0.000 0.000 2.966) 2.966 4.251 ( 0.000 0.000 -2.657) 2.657 4.374 ( -0.000 0.000 -0.601) 0.601 4.461 ( 0.000 0.000 0.493) 0.493 4.504 ( 0.000 -0.000 6.712) 6.712 4.549 ( -0.000 0.000 -1.499) 1.499 4.602 ( 0.000 0.000 -4.587) 4.587 4.666 ( 0.000 0.000 -2.551) 2.551 4.751 ( 0.000 0.000 0.461) 0.461 4.882 ( 0.000 -0.000 -4.402) 4.402 5.082 ( 0.000 0.000 -5.131) 5.131 5.231 ( -0.000 0.000 -2.696) 2.696 5.255 ( 0.000 -0.000 -0.407) 0.407 5.605 ( 0.000 0.000 -1.535) 1.535 5.685 ( 0.000 -0.000 0.749) 0.749 5.729 ( 0.000 0.000 -1.365) 1.365 5.835 ( 0.000 0.000 -2.615) 2.615 5.993 ( 0.000 0.000 -2.211) 2.211 6.163 ( 0.000 0.000 -3.629) 3.629 6.253 ( -0.000 0.000 21.662) 21.662 6.273 ( 0.000 -0.000 24.485) 24.485 6.665 ( 0.000 0.000 17.438) 17.438 6.932 ( 0.000 0.000 26.000) 26.000 7.702 ( 0.000 0.000 8.562) 8.562 7.973 ( 0.000 0.000 0.847) 0.847 8.477 ( 0.000 0.000 -3.856) 3.856 8.527 ( 0.000 0.000 -5.854) 5.854 8.803 ( 0.000 0.000 -5.465) 5.465 9.486 ( 0.000 0.000 7.882) 7.882 9.800 ( 0.000 0.000 -0.229) 0.229 9.831 ( 0.000 -0.000 6.899) 6.899 10.139 ( 0.000 0.000 8.506) 8.506 10.187 ( 0.000 0.000 7.805) 7.805 10.301 ( 0.000 -0.000 5.882) 5.882 11.119 ( 0.000 0.000 -13.948) 13.948 11.251 ( 0.000 0.000 -6.109) 6.109 11.376 ( 0.000 0.000 12.114) 12.114 11.519 ( 0.000 0.000 22.745) 22.745 11.554 ( 0.000 -0.000 -13.091) 13.091 12.038 ( 0.000 0.000 -14.576) 14.576 12.810 ( 0.000 0.000 13.576) 13.576 12.939 ( 0.000 0.000 -10.874) 10.874 13.468 ( 0.000 0.000 0.724) 0.724 13.609 ( 0.000 0.000 -4.643) 4.643 13.881 ( -0.000 0.000 -20.675) 20.675 13.980 ( 0.000 0.000 4.428) 4.428 14.711 ( 0.000 0.000 16.011) 16.011 15.069 ( 0.000 0.000 -13.522) 13.522 15.590 ( 0.000 0.000 -4.464) 4.464 16.231 ( 0.000 0.000 4.583) 4.583 16.857 ( 0.000 0.000 4.781) 4.781 17.043 ( 0.000 0.000 -1.882) 1.882 17.307 ( 0.000 0.000 -7.881) 7.881 20.747 ( 0.000 0.000 -3.953) 3.953 20.804 ( 0.000 0.000 -4.393) 4.393======================= Grid point 94 (21/40) =======================q-point: ( 0.17 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.191 ( 4.891 9.974 15.384) 18.975 1.418 ( 9.020 13.914 12.036) 20.490 1.980 ( -1.480 -0.801 -1.012) 1.964 2.048 ( 1.659 0.548 -1.296) 2.175 2.182 ( 1.428 2.243 12.464) 12.745 2.341 ( -0.381 0.005 4.695) 4.711 2.410 ( -5.028 -7.134 12.168) 14.974 2.436 ( -2.908 -4.911 5.769) 8.115 2.498 ( 2.275 3.745 1.612) 4.669 2.695 ( -0.442 -4.507 0.449) 4.550 2.887 ( 1.043 5.286 1.509) 5.596 2.983 ( 0.300 2.411 -2.297) 3.343 3.079 ( 0.302 -3.345 2.158) 3.992 3.100 ( -0.970 -0.767 -2.145) 2.476 3.240 ( -2.373 0.264 -2.060) 3.154 3.302 ( 3.897 0.757 0.141) 3.972 3.434 ( 0.125 1.927 2.091) 2.847 3.486 ( 0.419 1.937 3.132) 3.706 3.639 ( -0.108 -3.446 -2.651) 4.349 3.736 ( -1.404 -1.525 0.967) 2.287 3.799 ( -2.718 -0.641 3.186) 4.237 3.830 ( 2.356 1.589 3.392) 4.425 4.022 ( 0.945 0.775 4.899) 5.050 4.195 ( 1.523 4.030 -4.754) 6.416 4.317 ( -2.185 -2.465 -3.644) 4.912 4.368 ( -1.854 -2.886 0.330) 3.447 4.414 ( 1.321 -1.432 -1.560) 2.496 4.489 ( -5.097 -0.481 -1.822) 5.434 4.585 ( 2.629 -1.166 -0.909) 3.016 4.618 ( 4.348 -1.687 0.389) 4.680 4.723 ( -3.941 -3.030 3.827) 6.273 4.762 ( -4.312 0.056 -4.808) 6.458 4.901 ( 5.124 -0.532 -5.256) 7.360 5.017 ( -1.157 4.863 -3.856) 6.314 5.221 ( -1.626 -2.546 -1.300) 3.289 5.298 ( 0.316 -0.640 -3.094) 3.176 5.635 ( -1.008 -1.353 -0.224) 1.702 5.689 ( 0.450 -0.450 1.727) 1.841 5.727 ( -1.155 -0.026 0.436) 1.235 5.821 ( 1.042 0.621 -2.530) 2.805 5.920 ( 2.324 4.271 -2.091) 5.292 6.129 ( 2.026 3.307 -3.038) 4.927 6.323 ( -4.081 -5.268 23.211) 24.149 6.413 ( -0.508 -4.748 23.465) 23.946 6.598 ( -4.361 -4.924 18.918) 20.029 6.961 ( 3.755 5.897 25.258) 26.207 7.426 ( 7.265 12.555 13.539) 19.843 8.103 ( -2.840 -4.866 -4.327) 7.104 8.498 ( 0.156 -0.481 -2.072) 2.133 8.563 ( -2.565 -2.385 -6.587) 7.460 8.763 ( 1.379 0.606 -6.363) 6.539 9.502 ( -1.564 9.836 3.146) 10.445 9.549 ( 10.726 3.783 3.371) 11.863 9.674 ( 3.894 9.448 6.244) 11.976 10.184 ( -1.588 -3.009 8.382) 9.046 10.231 ( -0.728 -1.075 8.228) 8.330 10.406 ( -3.564 -6.042 11.695) 13.638 11.108 ( 0.887 1.333 -12.373) 12.476 11.208 ( 1.783 3.220 -0.822) 3.772 11.332 ( -0.789 -1.004 -3.140) 3.390 11.453 ( 2.923 4.856 -8.514) 10.228 11.747 ( -6.560 -11.431 20.607) 24.461 12.291 ( -7.686 -13.458 -16.244) 22.452 12.706 ( -1.323 -3.625 4.582) 5.990 12.988 ( 2.671 9.147 12.699) 15.877 13.212 ( 6.366 7.077 -11.889) 15.230 13.459 ( 6.325 11.355 -14.793) 19.692 13.988 ( -2.290 -2.885 -21.668) 21.979 14.230 ( -8.529 -15.443 12.227) 21.465 14.677 ( 1.244 2.334 13.703) 13.956 15.041 ( 0.227 0.204 -9.694) 9.699 15.418 ( 6.821 12.077 -4.647) 14.627 16.394 ( -6.256 -12.095 5.011) 14.510 16.915 ( -2.255 2.966 -9.861) 10.541 16.995 ( 3.560 0.169 3.150) 4.756 17.442 ( -6.106 -10.382 1.706) 12.165 20.716 ( 0.952 1.637 -3.742) 4.194 20.817 ( -0.317 -0.542 -4.306) 4.352======================= Grid point 95 (22/40) =======================q-point: ( 0.33 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.360 ( 1.124 9.748 9.768) 13.845 1.705 ( 9.756 6.040 7.246) 13.571 1.923 ( -2.865 -4.856 5.185) 7.660 2.087 ( 1.906 2.582 4.737) 5.722 2.189 ( -2.268 0.103 7.404) 7.745 2.225 ( -4.412 -3.026 0.270) 5.357 2.317 ( -4.669 -0.020 9.381) 10.479 2.368 ( 0.597 -2.685 3.515) 4.463 2.551 ( 3.833 -4.443 4.005) 7.104 2.684 ( 2.378 -2.146 -0.474) 3.238 2.973 ( -0.706 4.910 -0.863) 5.035 3.004 ( 0.770 0.659 -4.761) 4.868 3.040 ( -0.366 -1.957 -2.173) 2.947 3.145 ( 3.351 4.283 -0.222) 5.442 3.208 ( -1.635 0.818 -1.747) 2.529 3.355 ( -1.786 3.393 0.763) 3.909 3.437 ( 0.613 1.659 2.596) 3.141 3.537 ( 2.246 0.203 4.686) 5.200 3.582 ( -4.911 -2.244 3.676) 6.532 3.668 ( 0.725 -2.642 0.291) 2.755 3.766 ( -0.321 -2.326 -0.371) 2.378 3.870 ( 0.883 0.150 3.301) 3.420 4.067 ( 2.172 1.982 4.879) 5.697 4.158 ( -3.254 -1.836 -0.747) 3.810 4.270 ( -0.939 -0.063 -0.404) 1.024 4.357 ( 0.676 -1.303 3.745) 4.023 4.411 ( -0.002 -2.346 -0.640) 2.432 4.482 ( 2.414 2.358 -2.745) 4.350 4.573 ( -4.052 -3.423 7.385) 9.093 4.624 ( 2.192 -4.247 -2.855) 5.567 4.682 ( 2.781 0.828 -0.123) 2.904 4.718 ( -3.881 3.635 -6.296) 8.241 4.992 ( -4.061 3.280 -3.299) 6.175 5.021 ( 4.535 2.862 -3.911) 6.638 5.185 ( 0.739 -3.963 -1.870) 4.444 5.290 ( -0.899 0.324 -1.490) 1.770 5.612 ( -0.623 -0.083 -1.687) 1.800 5.689 ( -0.513 -0.620 0.047) 0.806 5.710 ( 0.638 -0.827 -0.803) 1.317 5.842 ( 0.194 0.847 -3.751) 3.850 6.004 ( 1.484 4.069 -2.291) 4.900 6.153 ( 0.120 -1.264 -3.265) 3.503 6.240 ( -0.952 -1.688 24.388) 24.465 6.334 ( -4.459 -0.026 22.325) 22.766 6.522 ( 3.988 -9.205 19.897) 22.283 7.045 ( -1.976 7.245 23.304) 24.484 7.673 ( 6.741 7.954 9.331) 13.992 7.980 ( -3.876 -5.797 0.480) 6.990 8.490 ( -0.838 0.117 -3.763) 3.857 8.519 ( -0.186 -0.777 -6.124) 6.176 8.786 ( 1.021 -1.012 -5.497) 5.682 9.538 ( -1.678 5.624 9.849) 11.465 9.773 ( 7.155 2.392 2.142) 7.842 9.807 ( 1.567 4.268 1.904) 4.929 10.141 ( -0.328 -0.188 8.280) 8.289 10.202 ( -1.596 -0.649 8.206) 8.385 10.282 ( -1.999 -5.854 6.162) 8.732 11.134 ( -0.081 1.695 -14.264) 14.365 11.231 ( 0.416 -1.616 -5.773) 6.009 11.353 ( 2.531 2.232 12.479) 12.927 11.540 ( -4.972 -6.998 21.538) 23.186 11.588 ( 2.582 8.853 -12.042) 15.167 12.034 ( -5.441 -10.083 -14.862) 18.766 12.675 ( 2.740 -6.003 3.456) 7.449 13.120 ( -2.765 15.144 3.684) 15.829 13.414 ( 8.857 4.505 -3.055) 10.396 13.616 ( -0.024 -0.139 -7.243) 7.244 13.861 ( -3.366 -4.414 -13.002) 14.137 13.987 ( -3.461 -7.364 -1.580) 8.289 14.712 ( 0.496 1.050 16.568) 16.608 15.065 ( 0.912 1.105 -13.516) 13.591 15.633 ( 2.585 10.282 -4.152) 11.386 16.167 ( -2.499 -12.926 1.437) 13.244 16.906 ( -2.096 4.787 4.142) 6.668 17.045 ( 1.080 -0.588 4.465) 4.632 17.285 ( -1.688 -5.295 -10.917) 12.251 20.749 ( 0.693 1.459 -4.011) 4.324 20.803 ( -0.391 -0.846 -4.360) 4.459======================= Grid point 96 (23/40) =======================q-point: (-0.50 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( -8.431 3.895 9.628) 13.377 1.684 ( -10.349 -4.937 7.671) 13.796 1.930 ( 5.550 -0.295 4.262) 7.004 2.099 ( -4.535 -1.758 6.335) 7.987 2.176 ( 0.827 3.758 3.005) 4.883 2.220 ( 5.778 2.307 6.350) 8.890 2.316 ( 2.146 3.263 3.747) 5.412 2.378 ( 3.150 -1.694 5.828) 6.838 2.551 ( 1.496 -5.433 5.639) 7.973 2.684 ( 0.282 -3.208 -0.909) 3.346 2.952 ( -2.921 2.906 -1.547) 4.401 3.023 ( -0.843 -0.424 -4.115) 4.222 3.046 ( 2.014 -0.776 -3.841) 4.406 3.130 ( -5.568 0.457 -0.388) 5.600 3.242 ( 1.158 -0.064 -2.523) 2.777 3.319 ( -4.389 3.613 3.115) 6.482 3.470 ( -2.218 1.234 5.178) 5.767 3.524 ( 0.740 0.546 2.299) 2.476 3.542 ( 2.487 -0.289 2.563) 3.583 3.732 ( -0.390 -1.022 -1.106) 1.556 3.736 ( 5.894 -1.073 2.051) 6.332 3.867 ( -0.987 -0.592 2.376) 2.640 4.059 ( -2.974 -0.540 5.269) 6.075 4.172 ( 3.665 1.524 0.633) 4.019 4.269 ( 1.522 0.754 -1.618) 2.347 4.353 ( -0.685 -1.669 0.480) 1.867 4.438 ( 5.149 -1.646 3.879) 6.653 4.498 ( -3.892 -1.556 -1.084) 4.330 4.543 ( 1.546 0.360 -1.060) 1.909 4.563 ( -0.732 1.590 0.016) 1.750 4.697 ( 0.227 -1.018 3.193) 3.359 4.759 ( 1.865 1.160 -6.151) 6.531 4.928 ( -5.211 3.339 -4.267) 7.517 5.101 ( -1.946 0.175 -4.755) 5.141 5.165 ( 4.094 -3.132 -1.308) 5.318 5.286 ( -0.230 1.049 -1.044) 1.497 5.614 ( 0.536 0.492 -1.679) 1.829 5.677 ( 0.233 -0.043 0.467) 0.524 5.723 ( 1.168 -0.879 -1.035) 1.791 5.839 ( -1.130 0.317 -4.313) 4.470 6.005 ( -4.287 0.773 -1.943) 4.770 6.151 ( 0.968 -0.688 -3.084) 3.304 6.248 ( 2.708 -0.550 24.025) 24.184 6.317 ( 0.960 4.050 22.900) 23.275 6.533 ( 6.692 -7.842 19.470) 22.031 7.043 ( -5.487 5.437 23.403) 24.645 7.671 ( -10.264 -1.823 9.294) 13.966 7.981 ( 6.971 0.417 0.444) 6.997 8.483 ( -0.010 0.688 -5.374) 5.418 8.531 ( 1.567 -0.256 -4.068) 4.367 8.777 ( -0.315 -1.181 -5.907) 6.032 9.554 ( -2.590 4.505 11.191) 12.339 9.733 ( -7.606 -3.416 -0.173) 8.339 9.832 ( -3.779 -1.122 2.836) 4.856 10.140 ( 0.195 0.235 8.001) 8.007 10.202 ( 1.527 1.034 8.662) 8.856 10.285 ( 6.071 -1.235 6.065) 8.669 11.132 ( -1.520 0.938 -13.935) 14.049 11.228 ( 1.055 -1.056 -5.113) 5.327 11.364 ( -2.948 -1.613 10.897) 11.404 11.524 ( 5.641 1.720 16.468) 17.493 11.598 ( -6.083 1.674 -6.262) 8.889 12.032 ( 11.391 -0.296 -14.990) 18.830 12.671 ( 3.391 -5.112 3.242) 6.939 13.142 ( -10.494 10.324 5.842) 15.838 13.387 ( -8.949 -5.791 -6.296) 12.380 13.610 ( -0.171 0.162 -6.494) 6.498 13.907 ( 5.828 -0.649 -17.953) 18.886 13.955 ( 7.946 0.202 3.911) 8.859 14.713 ( -1.071 0.060 16.512) 16.546 15.064 ( -1.498 -0.204 -13.407) 13.492 15.636 ( -10.119 2.853 -4.348) 11.377 16.158 ( 11.905 -4.042 1.646) 12.680 16.952 ( -0.030 6.731 9.006) 11.244 16.999 ( -2.699 -3.895 -1.507) 4.973 17.290 ( 5.512 -1.254 -9.874) 11.377 20.749 ( -1.615 0.133 -4.008) 4.323 20.803 ( 0.930 -0.087 -4.361) 4.460======================= Grid point 101 (24/40) =======================q-point: ( 0.33 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( 0.000 -0.000 5.021) 5.021 1.802 ( -2.600 -5.200 7.534) 9.517 1.802 ( 2.600 5.200 7.534) 9.517 2.165 ( -1.149 -2.298 8.517) 8.897 2.165 ( 1.149 2.298 8.517) 8.897 2.196 ( 0.000 -0.000 -6.277) 6.277 2.325 ( -0.113 -0.227 9.002) 9.006 2.325 ( 0.113 0.227 9.002) 9.006 2.456 ( -0.000 0.000 1.028) 1.028 2.690 ( -0.000 -0.000 -0.685) 0.685 3.007 ( -0.431 -0.862 -3.778) 3.899 3.007 ( 0.431 0.862 -3.778) 3.899 3.024 ( -0.000 -0.000 -2.852) 2.852 3.215 ( -0.794 -1.587 -4.532) 4.867 3.215 ( 0.794 1.587 -4.532) 4.867 3.411 ( -0.000 -0.000 3.550) 3.550 3.491 ( -1.207 -2.414 3.487) 4.410 3.491 ( 1.207 2.414 3.487) 4.410 3.603 ( -2.299 -4.599 5.450) 7.493 3.603 ( 2.299 4.599 5.450) 7.493 3.718 ( -0.000 -0.000 0.919) 0.919 3.873 ( -0.000 -0.000 0.852) 0.852 4.113 ( -1.233 -2.465 0.289) 2.771 4.113 ( 1.233 2.465 0.289) 2.771 4.309 ( -1.650 -3.300 3.224) 4.900 4.309 ( 1.650 3.300 3.224) 4.900 4.381 ( -0.000 -0.000 4.143) 4.143 4.515 ( -0.000 -0.000 -1.641) 1.641 4.544 ( -0.600 -1.200 1.919) 2.341 4.544 ( 0.600 1.200 1.919) 2.341 4.733 ( -1.061 -2.123 -4.847) 5.397 4.733 ( 1.061 2.123 -4.847) 5.397 5.043 ( 0.000 -0.000 0.309) 0.309 5.094 ( -1.108 -2.215 -4.075) 4.769 5.094 ( 1.108 2.215 -4.075) 4.769 5.288 ( -0.000 -0.000 0.056) 0.056 5.612 ( -0.000 -0.000 -2.492) 2.492 5.689 ( -0.528 -1.055 -0.987) 1.539 5.689 ( 0.528 1.055 -0.987) 1.539 5.852 ( -0.000 -0.000 -5.493) 5.493 6.095 ( -1.858 -3.716 -3.032) 5.143 6.095 ( 1.858 3.716 -3.032) 5.143 6.226 ( -0.000 -0.000 25.764) 25.764 6.373 ( -2.183 -4.365 21.611) 22.155 6.373 ( 2.183 4.365 21.611) 22.155 7.126 ( -0.000 -0.000 21.967) 21.967 7.837 ( -3.562 -7.125 5.191) 9.508 7.837 ( 3.562 7.125 5.191) 9.508 8.501 ( -0.510 -1.020 -5.051) 5.178 8.501 ( 0.510 1.020 -5.051) 5.178 8.772 ( -0.000 -0.000 -5.572) 5.572 9.606 ( -0.000 -0.000 13.877) 13.877 9.827 ( -1.172 -2.344 0.790) 2.737 9.827 ( 1.172 2.344 0.790) 2.737 10.174 ( -1.565 -3.130 5.493) 6.513 10.174 ( 1.565 3.130 5.493) 6.513 10.196 ( 0.000 -0.000 8.874) 8.874 11.156 ( -0.000 -0.000 -15.361) 15.361 11.209 ( -0.000 -0.000 -6.499) 6.499 11.420 ( -1.917 -3.833 18.847) 19.328 11.420 ( 1.917 3.833 18.847) 19.328 11.804 ( -5.226 -10.452 -13.323) 17.721 11.804 ( 5.226 10.452 -13.323) 17.721 12.616 ( -0.000 -0.000 1.905) 1.905 13.434 ( -5.560 -11.119 8.588) 15.109 13.434 ( 5.560 11.119 8.588) 15.109 13.462 ( -0.000 0.000 -11.499) 11.499 13.874 ( -1.568 -3.135 -12.757) 13.230 13.874 ( 1.568 3.135 -12.757) 13.230 14.722 ( -0.000 -0.000 17.709) 17.709 15.081 ( -0.000 -0.000 -14.769) 14.769 15.882 ( -6.139 -12.278 -2.528) 13.958 15.882 ( 6.139 12.278 -2.528) 13.958 17.007 ( -1.137 -2.274 11.727) 11.999 17.007 ( 1.137 2.274 11.727) 11.999 17.215 ( 0.000 0.000 -23.533) 23.533 20.779 ( -0.623 -1.246 -4.250) 4.472 20.779 ( 0.623 1.246 -4.250) 4.472======================= Grid point 129 (25/40) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.376 ( 0.000 0.000 17.523) 17.523 1.376 ( 0.000 0.000 17.523) 17.523 1.879 ( 0.000 -0.000 -5.695) 5.695 1.879 ( 0.000 0.000 -5.695) 5.695 2.318 ( 0.000 0.000 2.079) 2.079 2.318 ( 0.000 0.000 2.079) 2.079 2.711 ( 0.000 0.000 6.684) 6.684 2.764 ( 0.000 0.000 24.438) 24.438 2.780 ( 0.000 0.000 -2.882) 2.882 2.780 ( 0.000 0.000 -2.882) 2.882 2.874 ( 0.000 0.000 1.036) 1.036 2.977 ( 0.000 0.000 3.649) 3.649 3.205 ( 0.000 0.000 4.115) 4.115 3.205 ( -0.000 0.000 4.115) 4.115 3.217 ( 0.000 0.000 -0.631) 0.631 3.217 ( -0.000 0.000 -0.631) 0.631 3.457 ( 0.000 0.000 -0.084) 0.084 3.457 ( -0.000 0.000 -0.084) 0.084 3.635 ( -0.000 0.000 2.783) 2.783 3.741 ( 0.000 0.000 -2.891) 2.891 3.839 ( 0.000 -0.000 -2.889) 2.889 3.839 ( -0.000 0.000 -2.889) 2.889 3.883 ( 0.000 0.000 1.902) 1.902 4.111 ( 0.000 0.000 6.244) 6.244 4.342 ( -0.000 -0.000 -1.895) 1.895 4.342 ( 0.000 0.000 -1.895) 1.895 4.396 ( 0.000 0.000 -16.587) 16.587 4.523 ( -0.000 0.000 0.196) 0.196 4.523 ( 0.000 0.000 0.196) 0.196 4.623 ( 0.000 0.000 2.538) 2.538 4.623 ( 0.000 0.000 2.538) 2.538 4.728 ( 0.000 0.000 -7.571) 7.571 4.728 ( -0.000 0.000 -7.571) 7.571 4.993 ( 0.000 0.000 -9.736) 9.736 5.285 ( 0.000 0.000 4.154) 4.154 5.327 ( 0.000 0.000 1.450) 1.450 5.715 ( -0.000 0.000 0.250) 0.250 5.715 ( -0.000 0.000 0.250) 0.250 5.771 ( 0.000 0.000 4.237) 4.237 5.777 ( -0.000 0.000 -1.560) 1.560 5.777 ( -0.000 -0.000 -1.560) 1.560 5.941 ( 0.000 0.000 1.748) 1.748 6.969 ( 0.000 0.000 21.115) 21.115 6.969 ( 0.000 0.000 21.115) 21.115 7.208 ( -0.000 0.000 11.278) 11.278 7.371 ( -0.000 0.000 24.157) 24.157 7.371 ( 0.000 -0.000 24.157) 24.157 7.993 ( 0.000 0.000 -12.436) 12.436 8.537 ( -0.000 0.000 4.200) 4.200 8.658 ( -0.000 0.000 2.221) 2.221 8.658 ( 0.000 0.000 2.221) 2.221 8.943 ( -0.000 0.000 -7.504) 7.504 9.619 ( -0.000 0.000 0.598) 0.598 9.619 ( 0.000 0.000 0.598) 0.598 10.430 ( 0.000 0.000 9.425) 9.425 10.430 ( -0.000 0.000 9.425) 9.425 10.873 ( 0.000 0.000 -7.457) 7.457 10.873 ( -0.000 0.000 -7.457) 7.457 11.086 ( 0.000 0.000 26.796) 26.796 11.267 ( -0.000 0.000 -1.910) 1.910 11.267 ( -0.000 0.000 -1.910) 1.910 12.334 ( 0.000 0.000 13.399) 13.399 12.431 ( 0.000 -0.000 -28.040) 28.040 12.431 ( -0.000 0.000 -28.040) 28.040 12.522 ( 0.000 0.000 -17.574) 17.574 13.236 ( 0.000 0.000 21.572) 21.572 13.236 ( 0.000 0.000 21.572) 21.572 13.563 ( 0.000 0.000 -24.388) 24.388 14.520 ( -0.000 0.000 -15.731) 15.731 14.520 ( 0.000 0.000 -15.731) 15.731 15.221 ( 0.000 0.000 17.940) 17.940 15.221 ( -0.000 0.000 17.940) 17.940 16.532 ( 0.000 0.000 -19.931) 19.931 16.532 ( 0.000 0.000 -19.931) 19.931 17.178 ( 0.000 -0.000 21.998) 21.998 17.866 ( 0.000 0.000 -0.551) 0.551 20.617 ( 0.000 0.000 -2.231) 2.231 20.734 ( -0.000 0.000 -4.943) 4.943======================= Grid point 130 (26/40) =======================q-point: ( 0.17 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.407 ( 2.536 1.292 15.499) 15.758 1.482 ( 8.048 4.812 13.755) 16.647 1.889 ( 0.943 0.570 -5.236) 5.351 1.920 ( 3.163 1.842 -5.078) 6.260 2.310 ( -0.368 -0.380 3.595) 3.634 2.348 ( 2.210 1.433 2.369) 3.543 2.664 ( -3.878 -2.467 6.713) 8.136 2.713 ( -5.012 -3.072 4.613) 7.472 2.766 ( -1.643 -0.631 11.058) 11.197 2.787 ( 0.557 0.835 4.501) 4.611 2.883 ( 1.856 0.544 3.310) 3.833 2.959 ( -1.604 -1.032 1.631) 2.510 3.103 ( -4.875 -1.899 -1.008) 5.328 3.122 ( -2.776 -2.329 -0.686) 3.688 3.258 ( 0.704 -0.538 0.887) 1.253 3.275 ( 1.138 1.701 1.364) 2.460 3.428 ( -1.656 -0.799 -0.626) 1.943 3.462 ( 0.742 0.033 -1.657) 1.816 3.631 ( -0.118 -0.033 3.053) 3.056 3.749 ( -1.095 0.372 -4.043) 4.206 3.814 ( -0.780 -2.870 -1.929) 3.545 3.845 ( 0.183 1.655 -3.660) 4.021 4.011 ( 9.428 5.399 2.859) 11.234 4.133 ( 0.422 0.218 7.385) 7.401 4.282 ( -1.253 -0.817 -4.721) 4.953 4.362 ( 1.124 1.011 -2.588) 2.997 4.406 ( 0.528 -0.014 -2.341) 2.400 4.522 ( -0.644 0.965 0.154) 1.170 4.538 ( 1.253 -0.669 -0.028) 1.420 4.601 ( -1.341 -0.950 1.924) 2.530 4.667 ( 1.485 1.707 -0.881) 2.428 4.731 ( 0.469 -0.768 -7.029) 7.087 4.760 ( 3.211 2.357 -5.923) 7.138 4.982 ( -1.153 -0.606 -7.138) 7.256 5.246 ( -2.894 -1.908 1.875) 3.941 5.280 ( -2.689 -1.375 1.452) 3.351 5.678 ( -2.553 -1.453 0.651) 3.009 5.739 ( 0.329 -0.941 0.448) 1.093 5.751 ( -0.766 -0.043 2.115) 2.250 5.773 ( -0.408 0.838 -1.746) 1.979 5.822 ( 3.070 1.405 -0.527) 3.417 5.995 ( 3.675 2.127 -1.798) 4.611 6.901 ( -4.657 -3.178 21.919) 22.633 6.928 ( -4.297 -1.850 22.257) 22.743 7.086 ( -4.468 -2.758 16.788) 17.590 7.394 ( 1.375 0.820 22.336) 22.393 7.534 ( 8.559 4.953 13.952) 17.101 7.971 ( -1.719 -0.994 -12.086) 12.248 8.546 ( -3.208 1.101 4.322) 5.493 8.575 ( 0.441 -3.833 4.190) 5.696 8.682 ( 1.832 2.297 3.050) 4.235 9.140 ( 12.348 6.980 -7.787) 16.181 9.648 ( 2.357 1.621 0.365) 2.884 9.677 ( 4.610 2.447 0.218) 5.223 10.409 ( -1.815 -0.931 9.610) 9.824 10.425 ( -0.479 -0.391 9.640) 9.660 10.751 ( -8.932 -5.165 6.716) 12.311 10.875 ( 0.100 0.050 -7.459) 7.459 11.068 ( 1.865 1.009 -2.338) 3.156 11.243 ( -1.974 -0.950 -2.449) 3.286 11.430 ( 9.092 5.113 13.421) 16.997 12.129 ( -13.970 -8.025 -23.224) 28.265 12.261 ( -6.119 -3.524 16.410) 17.865 12.443 ( 0.912 0.588 -27.839) 27.860 12.777 ( 10.422 5.810 -20.276) 23.526 13.246 ( 1.138 1.251 16.003) 16.092 13.313 ( 6.486 3.300 19.851) 21.143 13.568 ( 0.280 0.127 -20.879) 20.881 14.485 ( -3.947 -2.242 -10.112) 11.084 14.547 ( 2.121 1.196 -16.580) 16.758 15.205 ( -0.952 -0.543 19.029) 19.061 15.266 ( 4.166 2.394 12.065) 12.987 16.437 ( -7.507 -4.207 -17.486) 19.489 16.544 ( 0.974 0.423 -20.220) 20.247 17.196 ( 1.315 0.781 19.031) 19.093 17.744 ( -9.318 -5.385 2.677) 11.090 20.627 ( 0.837 0.484 -2.514) 2.693 20.731 ( -0.310 -0.180 -4.916) 4.929======================= Grid point 131 (27/40) =======================q-point: ( 0.33 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( 2.833 1.209 11.231) 11.646 1.693 ( 8.086 4.528 5.728) 10.895 1.931 ( 2.224 3.026 -3.259) 4.972 2.003 ( 3.592 1.471 -4.282) 5.780 2.306 ( 0.471 -0.870 6.673) 6.746 2.408 ( 2.074 2.348 4.326) 5.341 2.509 ( -7.504 -5.696 10.091) 13.805 2.600 ( -4.693 -2.269 11.165) 12.322 2.713 ( -2.503 -0.034 8.576) 8.934 2.810 ( 2.022 0.100 -0.564) 2.102 2.894 ( -0.321 -1.525 0.673) 1.698 2.934 ( -0.432 -0.570 -0.487) 0.865 3.005 ( -5.285 -0.288 -4.303) 6.821 3.083 ( 0.010 -1.273 -1.034) 1.640 3.251 ( -0.840 0.378 -0.969) 1.337 3.297 ( 0.676 0.315 -0.510) 0.904 3.423 ( 2.305 -0.155 -2.272) 3.240 3.487 ( 1.512 0.534 -3.928) 4.243 3.612 ( -3.622 -0.336 -1.415) 3.903 3.699 ( -2.487 -0.097 -3.612) 4.386 3.777 ( 0.877 -2.479 1.486) 3.020 3.882 ( 1.043 1.783 -2.968) 3.616 4.121 ( -0.504 -0.134 5.470) 5.495 4.228 ( 5.864 1.775 3.825) 7.223 4.310 ( 2.691 2.493 5.369) 6.502 4.380 ( -0.800 1.810 0.664) 2.087 4.426 ( 3.153 -0.419 4.936) 5.872 4.524 ( 0.981 -3.664 0.935) 3.906 4.534 ( -0.645 3.903 -1.504) 4.233 4.596 ( 0.105 0.958 0.051) 0.965 4.702 ( -3.013 2.197 -1.184) 3.913 4.723 ( 3.958 -3.067 -2.880) 5.776 4.851 ( 1.924 2.877 -3.884) 5.203 4.935 ( -1.827 -1.630 -3.702) 4.439 5.178 ( -1.905 -1.733 -3.017) 3.967 5.243 ( -0.446 0.025 0.009) 0.447 5.616 ( -2.334 -1.524 0.120) 2.790 5.709 ( -1.280 -1.818 -1.720) 2.811 5.718 ( -1.621 -0.855 1.101) 2.138 5.786 ( -0.274 1.407 -1.379) 1.989 5.897 ( 3.264 1.455 -1.560) 3.899 6.060 ( 1.231 0.776 -4.717) 4.936 6.785 ( -3.444 -3.715 23.180) 23.727 6.812 ( -5.196 -0.904 23.044) 23.640 7.034 ( -0.600 -0.837 17.784) 17.814 7.417 ( 0.534 0.364 19.913) 19.924 7.701 ( 5.177 3.092 2.855) 6.672 7.921 ( -2.284 -1.361 -10.702) 11.028 8.504 ( -1.643 2.309 6.591) 7.175 8.577 ( 2.411 -4.034 7.833) 9.135 8.756 ( 1.933 3.653 5.870) 7.179 9.399 ( 8.529 3.970 -8.214) 12.489 9.738 ( 4.308 4.288 -0.956) 6.153 9.798 ( 5.314 1.894 -1.811) 5.925 10.356 ( -2.661 -0.792 10.100) 10.475 10.397 ( -1.782 -1.814 9.401) 9.739 10.551 ( -6.508 -3.839 11.049) 13.385 10.877 ( 0.082 0.028 -7.305) 7.305 11.144 ( 2.785 0.765 -7.147) 7.709 11.204 ( -0.248 1.143 -8.216) 8.299 11.616 ( 6.795 2.834 18.860) 20.246 11.826 ( -11.308 -5.700 -20.636) 24.212 12.099 ( -6.737 -3.881 20.301) 21.739 12.475 ( 1.462 1.105 -28.113) 28.173 12.936 ( 3.849 0.792 -10.099) 10.837 13.327 ( 4.085 5.124 -1.861) 6.812 13.496 ( 7.020 3.045 10.355) 12.875 13.573 ( 1.908 0.287 -6.399) 6.683 14.315 ( -9.589 -5.335 2.154) 11.183 14.607 ( 2.606 1.423 -18.101) 18.343 15.188 ( -0.478 -0.270 20.612) 20.620 15.403 ( 6.265 3.563 0.649) 7.236 16.232 ( -8.627 -4.594 -14.552) 17.529 16.567 ( 1.044 0.118 -20.654) 20.681 17.237 ( 2.127 1.518 14.828) 15.057 17.501 ( -9.783 -5.785 7.754) 13.758 20.652 ( 1.110 0.646 -3.156) 3.407 20.720 ( -0.541 -0.317 -4.788) 4.829======================= Grid point 132 (28/40) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( 0.000 0.000 9.066) 9.066 1.787 ( 0.000 0.000 -0.211) 0.211 2.004 ( 0.000 -0.000 -1.572) 1.572 2.050 ( 0.000 0.000 -6.298) 6.298 2.295 ( 0.000 0.000 11.500) 11.500 2.386 ( 0.000 0.000 11.814) 11.814 2.463 ( 0.000 -0.000 6.776) 6.776 2.512 ( 0.000 0.000 13.725) 13.725 2.694 ( 0.000 0.000 6.233) 6.233 2.853 ( 0.000 0.000 -1.205) 1.205 2.887 ( 0.000 0.000 1.560) 1.560 2.916 ( 0.000 0.000 -3.660) 3.660 2.933 ( 0.000 0.000 -5.355) 5.355 3.075 ( 0.000 0.000 -2.826) 2.826 3.245 ( 0.000 0.000 -1.597) 1.597 3.307 ( 0.000 0.000 -2.157) 2.157 3.484 ( 0.000 0.000 -4.163) 4.163 3.510 ( -0.000 0.000 -3.469) 3.469 3.526 ( 0.000 0.000 -4.783) 4.783 3.676 ( 0.000 0.000 -5.811) 5.811 3.791 ( 0.000 0.000 6.810) 6.810 3.899 ( 0.000 0.000 -2.571) 2.571 4.109 ( 0.000 0.000 6.643) 6.643 4.263 ( 0.000 0.000 8.541) 8.541 4.321 ( 0.000 -0.000 4.760) 4.760 4.428 ( 0.000 0.000 5.477) 5.477 4.479 ( -0.000 0.000 -1.484) 1.484 4.520 ( 0.000 0.000 4.033) 4.033 4.564 ( 0.000 -0.000 1.251) 1.251 4.589 ( 0.000 0.000 -1.101) 1.101 4.656 ( 0.000 -0.000 -0.561) 0.561 4.784 ( -0.000 0.000 1.928) 1.928 4.818 ( 0.000 -0.000 -0.734) 0.734 4.945 ( 0.000 0.000 -8.642) 8.642 5.152 ( -0.000 0.000 -3.760) 3.760 5.247 ( 0.000 0.000 -0.719) 0.719 5.582 ( 0.000 0.000 -0.634) 0.634 5.682 ( 0.000 -0.000 -3.228) 3.228 5.697 ( 0.000 -0.000 0.748) 0.748 5.790 ( 0.000 0.000 -1.755) 1.755 5.942 ( 0.000 0.000 -2.382) 2.382 6.066 ( 0.000 0.000 -4.960) 4.960 6.732 ( 0.000 0.000 23.879) 23.879 6.759 ( 0.000 0.000 23.035) 23.035 7.026 ( 0.000 0.000 17.989) 17.989 7.423 ( 0.000 0.000 18.991) 18.991 7.769 ( 0.000 0.000 -3.537) 3.537 7.885 ( 0.000 0.000 -8.812) 8.812 8.509 ( 0.000 0.000 6.277) 6.277 8.578 ( 0.000 0.000 11.538) 11.538 8.795 ( 0.000 0.000 7.189) 7.189 9.492 ( 0.000 0.000 -6.783) 6.783 9.827 ( 0.000 0.000 -0.666) 0.666 9.859 ( 0.000 0.000 -6.740) 6.740 10.328 ( 0.000 0.000 8.766) 8.766 10.344 ( 0.000 0.000 10.989) 10.989 10.480 ( 0.000 0.000 13.133) 13.133 10.878 ( 0.000 0.000 -7.161) 7.161 11.144 ( 0.000 0.000 -2.576) 2.576 11.255 ( 0.000 0.000 -16.371) 16.371 11.662 ( 0.000 0.000 -18.558) 18.558 11.716 ( 0.000 0.000 20.472) 20.472 12.002 ( 0.000 0.000 21.503) 21.503 12.497 ( 0.000 0.000 -28.426) 28.426 12.966 ( 0.000 0.000 -4.590) 4.590 13.429 ( -0.000 -0.000 -23.351) 23.351 13.500 ( 0.000 0.000 4.015) 4.015 13.678 ( 0.000 0.000 14.656) 14.656 14.157 ( 0.000 0.000 7.898) 7.898 14.643 ( 0.000 0.000 -19.029) 19.029 15.183 ( 0.000 0.000 21.242) 21.242 15.490 ( 0.000 0.000 -3.424) 3.424 16.117 ( 0.000 0.000 -14.116) 14.116 16.577 ( 0.000 0.000 -20.769) 20.769 17.307 ( 0.000 0.000 14.879) 14.879 17.333 ( -0.000 -0.000 8.240) 8.240 20.669 ( 0.000 0.000 -3.569) 3.569 20.711 ( 0.000 0.000 -4.629) 4.629======================= Grid point 137 (29/40) =======================q-point: ( 0.17 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( 2.182 4.667 12.283) 13.320 1.620 ( 4.808 7.876 8.040) 12.239 1.920 ( 1.839 1.404 -4.003) 4.624 1.977 ( 1.868 3.996 -4.259) 6.132 2.299 ( -0.708 -0.118 5.845) 5.889 2.396 ( 1.801 2.139 3.826) 4.739 2.580 ( -4.194 -4.455 8.759) 10.684 2.645 ( -1.598 -4.144 9.500) 10.487 2.722 ( 0.669 -5.273 2.850) 6.031 2.753 ( -3.518 -1.004 10.036) 10.682 2.906 ( -0.856 0.382 -0.060) 0.939 2.930 ( -0.811 -1.063 -1.554) 2.050 3.047 ( 1.496 -2.388 -2.948) 4.079 3.102 ( -2.567 -0.521 -0.824) 2.746 3.211 ( -0.797 -2.511 -0.914) 2.789 3.320 ( 1.299 1.596 -0.575) 2.137 3.426 ( -0.275 1.253 -2.073) 2.438 3.475 ( 0.527 1.652 -3.239) 3.674 3.620 ( -0.396 -2.131 0.694) 2.276 3.724 ( 1.425 -2.438 -1.088) 3.026 3.795 ( -5.021 0.613 -4.017) 6.459 3.854 ( 2.610 -0.014 -1.659) 3.093 4.124 ( -0.153 -0.660 5.267) 5.310 4.174 ( 3.892 8.280 3.288) 9.722 4.293 ( 1.223 1.833 2.993) 3.717 4.374 ( 1.571 0.175 2.179) 2.692 4.431 ( 0.509 3.054 0.969) 3.244 4.492 ( -1.699 -2.183 1.692) 3.243 4.584 ( 1.065 1.618 -1.106) 2.230 4.594 ( 1.509 0.538 0.796) 1.789 4.650 ( -0.841 -1.091 -2.365) 2.737 4.768 ( 0.065 2.578 -3.936) 4.706 4.808 ( 2.296 2.021 -4.108) 5.121 4.962 ( -0.326 -0.851 -4.532) 4.623 5.182 ( -2.739 -3.619 -0.640) 4.584 5.256 ( -0.006 -0.516 -0.366) 0.633 5.635 ( -1.573 -2.460 0.379) 2.944 5.716 ( -1.279 -1.639 0.788) 2.223 5.732 ( -2.054 -0.746 -0.021) 2.185 5.767 ( 1.425 -1.788 -2.322) 3.259 5.885 ( 1.977 4.084 -1.010) 4.648 6.050 ( 1.311 2.190 -4.209) 4.922 6.800 ( -3.187 -4.534 23.036) 23.694 6.891 ( -0.650 -3.744 23.203) 23.512 6.981 ( -3.789 -4.770 18.245) 19.235 7.443 ( 1.569 2.665 18.871) 19.122 7.659 ( 3.685 6.234 6.221) 9.547 7.935 ( -1.393 -2.370 -11.252) 11.583 8.498 ( 1.032 -2.076 6.131) 6.554 8.601 ( -3.529 3.171 7.388) 8.780 8.717 ( 3.963 0.889 4.603) 6.139 9.359 ( 6.445 12.521 -8.956) 16.689 9.690 ( 2.449 2.338 -0.168) 3.390 9.772 ( 2.670 5.685 -0.798) 6.331 10.369 ( -1.085 -2.650 9.856) 10.264 10.415 ( -0.756 -0.520 9.935) 9.977 10.590 ( -5.233 -8.932 10.059) 14.434 10.878 ( 0.142 0.277 -7.505) 7.511 11.124 ( 1.587 3.679 -7.864) 8.826 11.206 ( -0.012 -1.596 -5.490) 5.718 11.578 ( 3.947 7.984 17.892) 19.986 11.904 ( -6.712 -12.402 -21.504) 25.716 12.142 ( -4.255 -7.386 19.547) 21.325 12.436 ( -0.213 -0.664 -26.285) 26.294 12.954 ( 4.305 9.805 -18.210) 21.125 13.271 ( 3.070 1.211 8.123) 8.768 13.452 ( 4.328 9.140 14.854) 17.970 13.571 ( -0.147 0.456 -13.934) 13.942 14.368 ( -5.326 -9.481 -0.750) 10.900 14.593 ( 1.664 3.008 -17.703) 18.034 15.191 ( -0.349 -0.618 20.448) 20.460 15.367 ( 4.160 7.282 2.856) 8.859 16.262 ( -6.548 -11.862 -14.805) 20.069 16.583 ( 1.436 3.147 -20.996) 21.279 17.221 ( 1.058 1.502 15.902) 16.008 17.564 ( -6.218 -10.645 6.695) 14.028 20.645 ( 0.688 1.186 -2.988) 3.288 20.723 ( -0.307 -0.527 -4.831) 4.869======================= Grid point 138 (30/40) =======================q-point: ( 0.33 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( -0.353 5.010 8.641) 9.995 1.765 ( 3.785 3.549 1.114) 5.307 1.961 ( 2.172 -2.544 -1.899) 3.847 2.052 ( 1.475 2.610 -5.629) 6.377 2.296 ( 0.386 1.913 10.074) 10.261 2.390 ( -1.910 -3.059 11.727) 12.270 2.503 ( -1.974 2.447 8.957) 9.493 2.563 ( -5.239 -0.219 10.762) 11.971 2.680 ( 1.641 -4.898 7.581) 9.173 2.711 ( 2.857 -4.624 3.032) 6.224 2.901 ( 0.879 0.989 -4.801) 4.980 2.935 ( 0.355 0.951 -3.094) 3.257 2.991 ( -4.345 -3.000 -2.441) 5.817 3.080 ( -0.719 1.806 -4.338) 4.753 3.198 ( 1.933 -3.758 -1.924) 4.643 3.345 ( -0.958 2.447 -4.042) 4.821 3.441 ( 1.457 1.942 -3.629) 4.366 3.524 ( 0.714 2.178 -4.194) 4.780 3.575 ( -1.481 -1.931 -4.267) 4.912 3.700 ( -3.638 -0.886 -3.275) 4.975 3.757 ( 2.334 0.027 2.909) 3.730 3.893 ( 1.143 0.243 0.318) 1.211 4.118 ( -0.506 0.199 6.610) 6.632 4.215 ( 0.300 -2.273 7.180) 7.538 4.379 ( 3.323 3.305 7.115) 8.519 4.415 ( -3.179 1.249 0.731) 3.493 4.454 ( 3.244 1.916 4.483) 5.855 4.483 ( 1.047 0.930 2.956) 3.271 4.582 ( -0.179 -2.240 -0.119) 2.250 4.619 ( -0.261 0.063 -2.193) 2.209 4.664 ( 0.351 0.832 0.030) 0.903 4.734 ( -1.109 0.222 3.385) 3.569 4.913 ( 3.337 3.309 -6.626) 8.123 4.934 ( -3.609 2.070 -3.021) 5.141 5.121 ( 0.338 -3.544 -3.037) 4.679 5.258 ( -0.168 0.976 -1.539) 1.830 5.587 ( -1.100 -1.173 -0.592) 1.713 5.684 ( -0.822 -0.698 -1.942) 2.221 5.687 ( -0.532 -1.925 -0.061) 1.998 5.766 ( 0.809 -2.364 -3.319) 4.155 5.958 ( 1.020 3.766 -2.015) 4.391 6.065 ( -0.228 -0.663 -4.617) 4.670 6.738 ( -0.686 -0.164 23.964) 23.974 6.803 ( -4.833 -0.552 22.875) 23.387 6.928 ( 3.774 -7.317 19.869) 21.507 7.477 ( -1.233 3.629 15.986) 16.439 7.764 ( 2.204 3.078 -2.323) 4.441 7.883 ( -1.277 -2.323 -9.312) 9.682 8.531 ( 1.106 -0.019 9.613) 9.676 8.565 ( -1.204 2.789 9.256) 9.742 8.774 ( 1.701 -1.522 7.040) 7.401 9.543 ( 0.510 9.519 -8.211) 12.582 9.788 ( 6.376 0.130 -4.137) 7.601 9.834 ( -0.404 0.399 -2.060) 2.137 10.340 ( 0.204 -0.523 10.796) 10.811 10.369 ( -4.089 -0.454 9.777) 10.607 10.454 ( -0.358 -4.917 12.524) 13.459 10.883 ( -0.099 0.451 -7.580) 7.594 11.124 ( -0.165 -2.024 -2.942) 3.575 11.284 ( 2.494 6.599 -15.493) 17.024 11.627 ( -2.745 -5.647 -10.693) 12.399 11.761 ( 0.191 2.932 12.445) 12.787 11.997 ( -3.065 -5.852 21.603) 22.590 12.433 ( 2.049 -3.411 -25.004) 25.319 13.073 ( -2.488 10.923 -11.943) 16.375 13.373 ( 5.861 -1.231 -14.517) 15.704 13.505 ( -1.769 -1.862 0.973) 2.747 13.680 ( 4.717 9.697 12.617) 16.597 14.144 ( -5.316 -11.002 7.873) 14.536 14.649 ( 0.883 2.282 -19.039) 19.196 15.183 ( -0.134 -0.135 21.695) 21.696 15.522 ( 2.314 8.327 -4.691) 9.833 16.031 ( -2.094 -13.740 -12.869) 18.942 16.640 ( -0.803 5.673 -22.521) 23.239 17.267 ( 2.959 1.081 13.167) 13.539 17.364 ( -5.345 -6.520 11.124) 13.958 20.670 ( 0.540 1.066 -3.617) 3.809 20.710 ( -0.352 -0.694 -4.595) 4.661======================= Grid point 139 (31/40) =======================q-point: (-0.50 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( -3.831 2.751 8.177) 9.440 1.776 ( -5.185 -1.852 2.757) 6.158 1.931 ( -0.024 -2.020 -2.958) 3.583 2.054 ( -2.336 -0.133 -5.271) 5.767 2.323 ( -2.117 -1.206 10.126) 10.415 2.384 ( 3.700 1.171 10.065) 10.787 2.494 ( 0.548 4.094 10.929) 11.684 2.558 ( 2.283 2.149 10.837) 11.281 2.680 ( 0.027 -0.518 4.164) 4.196 2.724 ( 5.702 -7.229 5.327) 10.637 2.907 ( -0.933 -0.673 -3.859) 4.027 2.928 ( -0.783 0.653 -3.928) 4.058 2.975 ( 2.802 2.596 -2.715) 4.687 3.095 ( 0.063 1.958 -2.883) 3.486 3.187 ( 1.633 -3.672 -3.656) 5.433 3.343 ( -1.651 1.757 -3.558) 4.298 3.481 ( -2.243 -2.487 -3.887) 5.131 3.513 ( -0.045 1.462 -3.345) 3.651 3.544 ( 0.151 1.926 -3.722) 4.193 3.694 ( 1.207 1.603 -3.914) 4.399 3.783 ( 1.473 -1.496 2.619) 3.357 3.881 ( -1.778 -0.634 0.517) 1.958 4.115 ( 0.070 0.549 6.655) 6.678 4.236 ( 3.413 -2.390 6.572) 7.781 4.342 ( -4.385 1.545 5.034) 6.852 4.424 ( -3.368 0.359 5.574) 6.523 4.484 ( 0.418 -2.576 0.980) 2.787 4.504 ( -4.180 0.250 0.637) 4.236 4.536 ( 2.483 1.311 3.510) 4.495 4.604 ( 0.669 -1.092 0.777) 1.498 4.663 ( -1.332 1.489 -1.779) 2.675 4.784 ( 4.221 -1.947 2.830) 5.443 4.848 ( -6.469 3.414 -3.588) 8.147 4.970 ( -1.538 1.504 -8.199) 8.477 5.122 ( 3.363 -2.132 -1.805) 4.372 5.259 ( -0.825 0.626 -1.494) 1.818 5.590 ( 1.713 0.346 -0.568) 1.837 5.680 ( 1.686 -0.688 -0.202) 1.832 5.700 ( 2.084 0.741 -1.370) 2.602 5.753 ( 0.503 -1.980 -3.771) 4.289 5.960 ( -3.594 0.914 -2.074) 4.249 6.064 ( 0.659 -0.108 -4.554) 4.602 6.748 ( 0.628 -0.283 23.976) 23.986 6.786 ( 2.449 4.270 22.931) 23.453 6.935 ( 4.824 -6.526 19.767) 21.368 7.477 ( -2.547 2.902 16.066) 16.524 7.763 ( -3.818 -0.330 -2.406) 4.524 7.884 ( 2.656 -0.084 -9.240) 9.615 8.499 ( -2.280 0.545 8.704) 9.014 8.620 ( 1.676 0.873 11.156) 11.315 8.748 ( -1.526 -2.081 5.943) 6.479 9.558 ( -7.942 4.470 -8.884) 12.727 9.758 ( -3.329 -4.241 -2.091) 5.783 9.851 ( -0.457 -0.894 -3.322) 3.470 10.327 ( 0.447 0.553 10.464) 10.488 10.386 ( 2.236 2.558 9.966) 10.529 10.452 ( 4.635 -2.435 12.649) 13.690 10.883 ( -0.328 0.306 -7.574) 7.587 11.126 ( 2.167 -0.961 -2.591) 3.512 11.277 ( -7.512 1.372 -15.798) 17.547 11.648 ( 9.327 -1.427 -15.221) 17.908 11.743 ( -5.586 2.189 16.840) 17.877 11.997 ( 6.564 -0.268 21.618) 22.594 12.432 ( 1.784 -3.391 -24.781) 25.075 13.094 ( -7.265 8.052 -13.970) 17.686 13.335 ( -3.291 -5.275 -8.759) 10.741 13.516 ( 2.385 -0.030 -1.724) 2.943 13.692 ( -9.968 0.345 11.206) 15.002 14.140 ( 12.158 -0.793 8.042) 14.598 14.650 ( -2.363 0.354 -19.011) 19.161 15.183 ( 0.181 0.050 21.660) 21.661 15.523 ( -8.348 2.149 -4.712) 9.824 16.028 ( 12.734 -4.953 -12.661) 18.628 16.644 ( -4.208 3.396 -23.010) 23.637 17.260 ( -2.227 -1.649 13.971) 14.244 17.369 ( 8.017 1.042 10.655) 13.375 20.670 ( -1.196 0.067 -3.614) 3.807 20.710 ( 0.778 -0.044 -4.598) 4.663======================= Grid point 144 (32/40) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( -0.000 -0.000 6.281) 6.281 1.864 ( -2.410 -4.820 -0.002) 5.388 1.864 ( 2.410 4.820 -0.002) 5.388 2.069 ( -0.000 -0.000 -7.015) 7.015 2.352 ( -0.421 -0.842 12.539) 12.574 2.352 ( 0.421 0.842 12.539) 12.574 2.546 ( 0.000 -0.000 8.200) 8.200 2.563 ( -0.540 -1.079 10.830) 10.897 2.563 ( 0.540 1.079 10.830) 10.897 2.689 ( -0.000 -0.000 1.252) 1.252 2.930 ( -0.910 -1.820 -3.765) 4.280 2.930 ( 0.910 1.820 -3.765) 4.279 2.949 ( 0.000 -0.000 -4.679) 4.679 3.128 ( -1.154 -2.308 -4.277) 4.995 3.128 ( 1.154 2.308 -4.277) 4.995 3.372 ( -0.000 -0.000 -6.914) 6.914 3.488 ( -0.936 -1.871 -4.346) 4.824 3.488 ( 0.936 1.871 -4.346) 4.824 3.638 ( -2.145 -4.290 -3.491) 5.932 3.638 ( 2.145 4.290 -3.491) 5.932 3.757 ( -0.000 -0.000 1.209) 1.209 3.904 ( -0.000 -0.000 3.638) 3.638 4.150 ( -1.462 -2.925 8.062) 8.700 4.150 ( 1.462 2.925 8.062) 8.700 4.437 ( -0.000 -0.000 -1.129) 1.129 4.441 ( -1.020 -2.039 6.675) 7.054 4.441 ( 1.020 2.039 6.675) 7.054 4.521 ( -0.000 -0.000 3.678) 3.678 4.564 ( -0.884 -1.768 0.701) 2.098 4.564 ( 0.884 1.768 0.701) 2.098 4.714 ( -0.898 -1.795 2.059) 2.875 4.714 ( 0.898 1.795 2.059) 2.875 4.976 ( -0.840 -1.679 -7.368) 7.604 4.976 ( 0.840 1.679 -7.368) 7.604 5.053 ( -0.000 -0.000 1.224) 1.224 5.270 ( -0.000 -0.000 -1.812) 1.812 5.573 ( -0.000 -0.000 -1.130) 1.130 5.669 ( -0.316 -0.632 -0.984) 1.212 5.669 ( 0.316 0.632 -0.984) 1.212 5.737 ( -0.000 -0.000 -5.647) 5.647 6.028 ( -1.265 -2.529 -3.309) 4.353 6.028 ( 1.265 2.529 -3.309) 4.353 6.762 ( -0.000 -0.000 26.420) 26.420 6.808 ( -1.465 -2.930 20.864) 21.120 6.808 ( 1.465 2.930 20.864) 21.120 7.517 ( -0.000 -0.000 13.419) 13.419 7.828 ( -1.371 -2.741 -6.673) 7.343 7.828 ( 1.371 2.741 -6.673) 7.343 8.568 ( -1.334 -2.668 11.542) 11.922 8.568 ( 1.334 2.668 11.542) 11.922 8.749 ( -0.000 -0.000 6.238) 6.238 9.730 ( -2.914 -5.829 -9.874) 11.831 9.730 ( 2.914 5.829 -9.874) 11.831 9.815 ( 0.000 -0.000 2.855) 2.855 10.358 ( -1.066 -2.132 13.195) 13.408 10.358 ( 1.066 2.132 13.195) 13.408 10.384 ( 0.000 -0.000 8.870) 8.870 10.888 ( -0.000 -0.000 -7.959) 7.959 11.099 ( -0.000 -0.000 -2.780) 2.780 11.454 ( -4.255 -8.509 -17.713) 20.106 11.454 ( 4.255 8.509 -17.713) 20.106 11.872 ( -2.799 -5.599 22.104) 22.974 11.872 ( 2.799 5.599 22.104) 22.974 12.394 ( -0.000 -0.000 -23.288) 23.288 13.283 ( -3.277 -6.554 -20.037) 21.335 13.283 ( 3.277 6.554 -20.037) 21.335 13.475 ( -0.000 -0.000 12.272) 12.272 13.903 ( -5.230 -10.460 11.310) 16.269 13.903 ( 5.230 10.460 11.310) 16.269 14.676 ( -0.000 -0.000 -19.604) 19.604 15.182 ( -0.000 -0.000 22.376) 22.376 15.744 ( -5.888 -11.777 -9.474) 16.221 15.744 ( 5.888 11.777 -9.474) 16.221 16.714 ( -0.000 -0.000 -26.127) 26.127 17.282 ( -0.637 -1.275 13.725) 13.798 17.282 ( 0.637 1.275 13.725) 13.798 20.692 ( -0.469 -0.937 -4.177) 4.307 20.692 ( 0.469 0.937 -4.177) 4.307======================= Grid point 172 (33/40) =======================q-point: ( 0.00 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( 0.000 0.000 9.118) 9.118 1.640 ( 0.000 -0.000 9.118) 9.118 1.773 ( 0.000 -0.000 -5.261) 5.261 1.773 ( 0.000 0.000 -5.261) 5.261 2.437 ( 0.000 0.000 9.408) 9.408 2.437 ( 0.000 -0.000 9.408) 9.408 2.643 ( 0.000 0.000 -9.840) 9.840 2.643 ( 0.000 0.000 -9.840) 9.840 2.839 ( 0.000 0.000 5.739) 5.739 2.898 ( 0.000 0.000 0.410) 0.410 2.981 ( 0.000 -0.000 1.558) 1.558 3.001 ( 0.000 0.000 -0.837) 0.837 3.229 ( 0.000 -0.000 1.958) 1.958 3.229 ( 0.000 -0.000 1.958) 1.958 3.272 ( 0.000 0.000 -0.484) 0.484 3.272 ( 0.000 -0.000 -0.484) 0.484 3.498 ( -0.000 0.000 7.262) 7.262 3.498 ( 0.000 0.000 7.262) 7.262 3.691 ( 0.000 0.000 0.651) 0.651 3.697 ( 0.000 0.000 -10.293) 10.293 3.697 ( 0.000 -0.000 -10.293) 10.293 3.730 ( 0.000 0.000 0.749) 0.749 4.007 ( -0.000 0.000 6.905) 6.905 4.121 ( 0.000 0.000 -5.246) 5.246 4.328 ( 0.000 0.000 13.050) 13.050 4.383 ( 0.000 0.000 5.246) 5.246 4.383 ( 0.000 0.000 5.246) 5.246 4.501 ( 0.000 -0.000 -4.784) 4.784 4.501 ( 0.000 0.000 -4.784) 4.784 4.630 ( 0.000 -0.000 -0.479) 0.479 4.630 ( -0.000 0.000 -0.479) 0.479 4.645 ( 0.000 -0.000 -0.334) 0.334 4.645 ( 0.000 -0.000 -0.334) 0.334 4.685 ( -0.000 -0.000 -18.966) 18.966 5.364 ( 0.000 -0.000 2.165) 2.165 5.365 ( -0.000 0.000 1.624) 1.624 5.726 ( 0.000 -0.000 0.852) 0.852 5.726 ( -0.000 0.000 0.852) 0.852 5.748 ( 0.000 0.000 -1.321) 1.321 5.748 ( 0.000 0.000 -1.321) 1.321 5.857 ( 0.000 0.000 4.254) 4.254 5.929 ( 0.000 0.000 -2.553) 2.553 7.355 ( -0.000 0.000 16.775) 16.775 7.355 ( -0.000 0.000 16.775) 16.775 7.456 ( 0.000 -0.000 13.365) 13.365 7.580 ( 0.000 0.000 -3.283) 3.283 7.580 ( 0.000 0.000 -3.283) 3.283 7.729 ( 0.000 -0.000 -13.777) 13.777 8.646 ( -0.000 0.000 6.501) 6.501 8.789 ( 0.000 0.000 -7.682) 7.682 8.919 ( 0.000 -0.000 22.947) 22.947 8.919 ( 0.000 0.000 22.947) 22.947 9.401 ( 0.000 0.000 -21.052) 21.052 9.401 ( 0.000 0.000 -21.052) 21.052 10.619 ( -0.000 -0.000 9.151) 9.151 10.619 ( -0.000 0.000 9.151) 9.151 10.772 ( 0.000 -0.000 -5.523) 5.523 10.772 ( -0.000 0.000 -5.523) 5.523 11.396 ( 0.000 0.000 16.501) 16.501 11.396 ( 0.000 -0.000 16.501) 16.501 11.614 ( 0.000 0.000 25.830) 25.830 11.863 ( 0.000 -0.000 -27.799) 27.799 11.863 ( -0.000 0.000 -27.799) 27.799 12.101 ( 0.000 0.000 -22.708) 22.708 12.674 ( 0.000 -0.000 18.858) 18.858 13.090 ( -0.000 0.000 -22.638) 22.638 13.682 ( 0.000 0.000 22.841) 22.841 13.682 ( 0.000 0.000 22.841) 22.841 14.131 ( 0.000 -0.000 -21.779) 21.779 14.131 ( 0.000 -0.000 -21.779) 21.779 15.643 ( 0.000 -0.000 22.918) 22.918 15.643 ( 0.000 0.000 22.918) 22.918 16.103 ( 0.000 0.000 -22.758) 22.758 16.103 ( 0.000 0.000 -22.758) 22.758 17.561 ( -0.000 0.000 15.760) 15.760 17.792 ( 0.000 -0.000 -7.411) 7.411 20.599 ( 0.000 0.000 0.678) 0.678 20.644 ( 0.000 -0.000 -3.699) 3.699======================= Grid point 173 (34/40) =======================q-point: ( 0.17 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.645 ( 0.446 0.300 8.715) 8.732 1.692 ( 4.111 2.060 7.667) 8.941 1.783 ( 0.793 0.966 -5.673) 5.809 1.818 ( 3.496 1.805 -5.382) 6.667 2.453 ( 1.533 0.593 10.175) 10.307 2.474 ( 2.774 1.890 9.398) 9.979 2.652 ( 0.398 0.380 -7.275) 7.296 2.663 ( 1.649 0.745 -8.843) 9.027 2.837 ( -0.422 -0.280 6.728) 6.747 2.901 ( -0.231 0.007 1.694) 1.710 2.956 ( -1.636 -0.932 0.582) 1.971 2.978 ( -1.891 -1.204 -0.864) 2.402 3.123 ( -7.778 -2.732 3.674) 9.025 3.143 ( -4.140 -4.390 3.060) 6.766 3.227 ( -3.808 -1.795 -4.860) 6.430 3.238 ( -3.106 -1.922 -5.243) 6.390 3.468 ( -2.586 -1.473 6.007) 6.704 3.495 ( -0.311 -0.529 6.346) 6.375 3.629 ( -5.107 -2.243 -7.758) 9.555 3.659 ( -2.487 -1.282 -7.037) 7.572 3.736 ( 3.633 1.071 -1.137) 3.954 3.779 ( 2.761 2.099 -1.571) 3.807 4.124 ( 8.594 4.979 6.135) 11.674 4.207 ( 5.699 3.251 -2.041) 6.871 4.335 ( 2.085 1.142 14.178) 14.375 4.396 ( 0.948 0.579 5.166) 5.284 4.424 ( 2.445 1.480 4.056) 4.962 4.507 ( 0.292 0.184 -4.175) 4.189 4.523 ( 1.662 0.926 -4.657) 5.031 4.611 ( -1.318 -0.715 1.057) 1.834 4.641 ( -0.160 -0.731 -1.068) 1.304 4.657 ( 2.139 2.028 0.198) 2.955 4.683 ( 2.205 0.937 -5.227) 5.750 4.712 ( 2.728 1.726 -13.931) 14.300 5.307 ( -4.270 -2.589 2.078) 5.409 5.313 ( -3.630 -1.993 1.257) 4.328 5.697 ( -2.281 -1.314 1.254) 2.916 5.726 ( -1.529 -1.476 -1.555) 2.633 5.756 ( 0.981 1.306 0.182) 1.644 5.764 ( 0.378 0.131 -0.443) 0.597 5.860 ( 0.830 0.430 3.739) 3.854 5.939 ( 0.977 0.551 -3.746) 3.910 7.294 ( -4.335 -2.644 16.446) 17.212 7.324 ( -3.850 -1.997 16.606) 17.163 7.384 ( -2.541 -1.536 12.482) 12.830 7.572 ( -0.786 -0.626 -4.481) 4.592 7.616 ( 1.206 0.879 -4.086) 4.350 7.717 ( -0.832 -0.512 -12.651) 12.689 8.689 ( 2.459 1.804 7.553) 8.145 8.758 ( 0.517 -0.365 6.467) 6.498 8.950 ( 2.529 2.104 22.703) 22.940 9.075 ( 9.705 5.186 8.464) 13.883 9.426 ( 2.107 1.401 -20.874) 21.027 9.460 ( 4.550 2.499 -20.324) 20.976 10.603 ( -1.343 -0.710 9.598) 9.718 10.623 ( 0.152 0.036 9.977) 9.978 10.767 ( -0.387 -0.249 -6.016) 6.034 10.794 ( 1.766 1.029 -5.537) 5.902 11.168 ( -11.748 -6.851 17.068) 21.824 11.378 ( -1.514 -0.675 17.512) 17.591 11.627 ( -12.475 -7.597 -25.732) 29.589 11.829 ( 7.506 5.314 12.603) 15.602 11.876 ( 4.201 1.719 -17.218) 17.807 12.323 ( 11.561 6.655 -23.803) 27.286 12.628 ( -3.569 -2.057 19.814) 20.237 13.054 ( -2.757 -1.578 -22.339) 22.564 13.710 ( 2.139 1.267 21.791) 21.933 13.738 ( 4.630 2.629 21.760) 22.402 14.150 ( 1.510 0.901 -21.513) 21.584 14.162 ( 2.286 1.297 -20.220) 20.391 15.611 ( -2.443 -1.391 20.801) 20.990 15.644 ( 0.060 0.009 23.174) 23.174 16.039 ( -5.214 -2.982 -21.451) 22.276 16.109 ( 0.489 0.260 -23.044) 23.050 17.537 ( -1.775 -1.023 13.914) 14.064 17.726 ( -5.063 -2.925 -4.960) 7.668 20.603 ( 0.326 0.188 0.348) 0.513 20.643 ( -0.122 -0.071 -3.496) 3.499======================= Grid point 174 (35/40) =======================q-point: ( 0.33 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.663 ( 0.933 0.558 8.127) 8.199 1.770 ( 2.594 -0.994 0.720) 2.869 1.849 ( 3.182 5.278 -2.854) 6.792 1.903 ( 3.407 1.268 -5.106) 6.268 2.499 ( 2.984 0.191 11.213) 11.604 2.555 ( 2.752 3.340 8.705) 9.722 2.651 ( -0.470 -0.609 0.704) 1.043 2.707 ( 2.275 0.447 -7.596) 7.942 2.801 ( -2.387 -1.715 8.481) 8.975 2.862 ( -3.675 -0.088 6.292) 7.287 2.912 ( -2.601 -2.503 -1.015) 3.750 2.940 ( -0.099 -0.238 1.011) 1.043 2.967 ( -5.775 -1.505 2.875) 6.624 3.049 ( -1.698 -3.237 -0.710) 3.723 3.141 ( -3.542 -0.921 -9.030) 9.743 3.166 ( -1.837 -1.514 -10.540) 10.805 3.400 ( -1.954 -2.170 0.652) 2.992 3.458 ( -2.879 -2.654 -1.975) 4.386 3.522 ( -3.485 0.177 -1.133) 3.669 3.607 ( -1.851 -0.721 -4.930) 5.315 3.810 ( 3.328 0.316 -0.197) 3.349 3.844 ( 1.687 2.034 -0.617) 2.713 4.314 ( 3.474 1.534 9.859) 10.565 4.333 ( 6.884 4.238 5.202) 9.613 4.409 ( 1.196 2.193 5.222) 5.789 4.436 ( 4.215 0.983 5.244) 6.800 4.500 ( 2.207 2.226 1.648) 3.542 4.509 ( 1.472 -0.591 -2.271) 2.770 4.567 ( 0.699 1.858 2.902) 3.516 4.593 ( 1.599 -0.252 -2.102) 2.653 4.619 ( -1.348 -0.557 -1.583) 2.152 4.719 ( 1.812 -0.100 -10.856) 11.007 4.740 ( 3.125 2.400 1.266) 4.138 4.794 ( 2.352 2.441 -6.033) 6.920 5.194 ( -4.189 -2.872 2.649) 5.728 5.234 ( -2.400 -1.349 -1.175) 2.993 5.630 ( -2.991 -2.001 1.264) 3.814 5.666 ( -2.736 -2.336 -2.243) 4.239 5.742 ( -1.587 -0.639 1.183) 2.080 5.764 ( -0.817 0.487 -1.032) 1.403 5.898 ( 1.844 0.908 1.905) 2.802 5.966 ( 0.870 0.478 -4.489) 4.598 7.192 ( -3.123 -2.562 16.332) 16.824 7.213 ( -4.595 -1.728 15.734) 16.482 7.357 ( -0.500 -0.453 13.119) 13.136 7.543 ( -1.177 -0.990 -6.697) 6.871 7.625 ( -0.472 0.186 -6.690) 6.709 7.700 ( -0.407 -0.419 -10.408) 10.424 8.725 ( 0.087 1.412 12.417) 12.497 8.808 ( 3.707 -0.091 8.596) 9.361 9.040 ( 3.207 3.675 21.338) 21.888 9.276 ( 6.998 2.455 0.468) 7.431 9.510 ( 4.249 3.760 -18.881) 19.714 9.573 ( 4.321 1.845 -18.717) 19.297 10.565 ( -1.750 -0.656 10.671) 10.834 10.612 ( -1.246 -0.879 11.929) 12.026 10.758 ( 0.054 -0.351 -5.519) 5.530 10.836 ( 0.635 0.525 1.697) 1.886 10.948 ( -5.295 -3.248 4.017) 7.398 11.321 ( -5.637 -1.527 4.124) 7.149 11.380 ( -5.040 -4.591 -8.214) 10.675 11.856 ( -0.190 0.316 -26.248) 26.250 12.091 ( 8.294 4.560 20.297) 22.395 12.511 ( -1.764 -1.035 10.704) 10.897 12.572 ( 4.943 2.728 -11.499) 12.811 12.984 ( -2.795 -1.456 -23.114) 23.328 13.764 ( 1.945 1.221 20.443) 20.572 13.878 ( 6.518 3.525 17.892) 19.366 14.188 ( 0.977 1.036 -17.309) 17.368 14.211 ( 1.628 0.564 -16.774) 16.862 15.551 ( -2.082 -1.127 13.879) 14.080 15.644 ( 0.055 -0.113 23.729) 23.729 15.886 ( -6.763 -3.779 -18.381) 19.947 16.121 ( 0.492 0.227 -23.587) 23.594 17.497 ( -1.135 -0.622 9.775) 9.860 17.593 ( -5.300 -3.090 0.330) 6.144 20.613 ( 0.444 0.258 -0.438) 0.675 20.639 ( -0.199 -0.117 -2.969) 2.978======================= Grid point 175 (36/40) =======================q-point: (-0.50 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( 0.000 0.000 7.858) 7.858 1.785 ( 0.000 0.000 -1.375) 1.375 1.926 ( -0.000 -0.000 -4.320) 4.320 1.937 ( 0.000 0.000 -3.637) 3.637 2.540 ( 0.000 0.000 11.114) 11.114 2.592 ( -0.000 0.000 7.679) 7.679 2.648 ( 0.000 -0.000 7.700) 7.700 2.723 ( 0.000 0.000 -2.809) 2.809 2.780 ( 0.000 0.000 1.675) 1.675 2.799 ( -0.000 0.000 7.990) 7.990 2.879 ( 0.000 0.000 -2.095) 2.095 2.905 ( 0.000 0.000 5.156) 5.156 2.933 ( 0.000 0.000 3.481) 3.481 3.019 ( 0.000 0.000 -3.073) 3.073 3.103 ( 0.000 -0.000 -11.336) 11.336 3.146 ( 0.000 0.000 -12.656) 12.656 3.384 ( 0.000 -0.000 -4.151) 4.151 3.388 ( -0.000 0.000 -5.252) 5.252 3.501 ( 0.000 0.000 3.103) 3.103 3.586 ( 0.000 0.000 -3.741) 3.741 3.844 ( 0.000 -0.000 -0.478) 0.478 3.870 ( -0.000 0.000 -0.241) 0.241 4.356 ( 0.000 0.000 11.846) 11.846 4.404 ( 0.000 0.000 3.614) 3.614 4.429 ( 0.000 -0.000 7.242) 7.242 4.496 ( 0.000 -0.000 1.794) 1.794 4.496 ( -0.000 0.000 3.269) 3.269 4.573 ( -0.000 -0.000 -2.711) 2.711 4.579 ( 0.000 0.000 1.242) 1.242 4.592 ( 0.000 -0.000 -2.113) 2.113 4.633 ( 0.000 0.000 3.211) 3.211 4.741 ( 0.000 0.000 -10.715) 10.715 4.784 ( -0.000 0.000 -0.918) 0.918 4.812 ( 0.000 0.000 -1.784) 1.784 5.142 ( 0.000 0.000 2.834) 2.834 5.211 ( 0.000 0.000 -3.028) 3.028 5.582 ( 0.000 0.000 0.783) 0.783 5.618 ( 0.000 -0.000 -2.762) 2.762 5.721 ( 0.000 0.000 1.669) 1.669 5.757 ( 0.000 0.000 -1.737) 1.737 5.922 ( 0.000 0.000 0.831) 0.831 5.974 ( 0.000 0.000 -4.027) 4.027 7.153 ( 0.000 -0.000 16.703) 16.703 7.157 ( -0.000 0.000 15.555) 15.555 7.350 ( 0.000 0.000 12.643) 12.643 7.525 ( 0.000 0.000 -7.633) 7.633 7.619 ( 0.000 -0.000 -7.402) 7.402 7.695 ( 0.000 0.000 -9.403) 9.403 8.732 ( 0.000 0.000 14.088) 14.088 8.845 ( 0.000 0.000 8.150) 8.150 9.094 ( 0.000 0.000 20.838) 20.838 9.349 ( 0.000 -0.000 -3.401) 3.401 9.604 ( -0.000 -0.000 -15.459) 15.459 9.605 ( 0.000 0.000 -18.944) 18.944 10.544 ( 0.000 0.000 11.327) 11.327 10.583 ( 0.000 0.000 13.167) 13.167 10.768 ( 0.000 0.000 -7.008) 7.008 10.807 ( -0.000 -0.000 18.618) 18.618 10.923 ( 0.000 -0.000 -15.638) 15.638 11.224 ( 0.000 0.000 -16.730) 16.730 11.337 ( 0.000 0.000 15.835) 15.835 11.856 ( 0.000 0.000 -27.331) 27.331 12.200 ( 0.000 0.000 20.213) 20.213 12.455 ( 0.000 0.000 22.430) 22.430 12.656 ( 0.000 0.000 -20.352) 20.352 12.947 ( 0.000 0.000 -24.460) 24.460 13.789 ( 0.000 0.000 19.949) 19.949 13.974 ( 0.000 0.000 13.010) 13.010 14.193 ( 0.000 0.000 -4.831) 4.831 14.230 ( 0.000 0.000 -20.836) 20.836 15.529 ( 0.000 0.000 8.212) 8.212 15.643 ( 0.000 0.000 23.914) 23.914 15.791 ( 0.000 0.000 -16.158) 16.158 16.127 ( 0.000 -0.000 -23.847) 23.847 17.497 ( 0.000 0.000 5.789) 5.789 17.511 ( -0.000 -0.000 4.914) 4.914 20.620 ( 0.000 0.000 -1.000) 1.000 20.635 ( 0.000 0.000 -2.537) 2.537======================= Grid point 180 (37/40) =======================q-point: ( 0.17 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( 1.269 1.840 7.896) 8.206 1.744 ( 0.023 3.948 4.202) 5.766 1.827 ( 3.876 1.352 -4.428) 6.038 1.875 ( 1.382 3.879 -5.664) 7.003 2.479 ( 0.466 2.283 10.991) 11.235 2.541 ( 3.179 3.990 9.161) 10.486 2.663 ( 0.493 0.250 -4.137) 4.174 2.688 ( 0.169 2.034 -5.201) 5.588 2.819 ( -1.290 -1.771 8.119) 8.409 2.881 ( -0.228 -3.308 5.166) 6.138 2.928 ( -2.316 -2.473 1.448) 3.685 2.936 ( -0.754 -0.701 -1.471) 1.795 3.010 ( -1.333 -6.983 2.990) 7.713 3.068 ( -4.878 -2.607 -0.456) 5.550 3.143 ( -1.805 -5.016 -6.186) 8.166 3.184 ( -1.737 -2.785 -10.625) 11.120 3.421 ( -2.035 -2.339 2.186) 3.794 3.478 ( -1.901 -0.571 3.326) 3.873 3.528 ( -1.131 -6.033 -5.738) 8.403 3.640 ( -0.842 -2.541 -8.896) 9.290 3.772 ( 0.646 3.200 3.228) 4.591 3.844 ( 2.343 3.240 -1.739) 4.360 4.270 ( 3.940 7.141 6.462) 10.406 4.300 ( 2.889 4.885 7.208) 9.174 4.388 ( 2.439 3.431 6.835) 8.027 4.427 ( 0.805 2.593 3.930) 4.776 4.468 ( 2.147 3.005 2.687) 4.568 4.529 ( -0.937 0.316 -0.836) 1.295 4.546 ( 2.887 2.656 -2.907) 4.882 4.599 ( -0.365 0.171 0.519) 0.657 4.617 ( -0.896 -1.423 -1.365) 2.166 4.708 ( 1.822 3.360 -3.197) 4.983 4.745 ( -0.144 3.676 -3.288) 4.934 4.756 ( 4.114 2.179 -9.843) 10.888 5.224 ( -3.171 -4.881 2.618) 6.382 5.253 ( -1.637 -2.993 -0.444) 3.441 5.654 ( -1.785 -2.640 1.547) 3.543 5.694 ( -2.160 -1.627 -2.269) 3.530 5.739 ( -1.216 -2.549 0.515) 2.871 5.747 ( -0.068 -2.524 -0.290) 2.542 5.895 ( 1.394 2.627 2.147) 3.668 5.964 ( 0.824 1.477 -4.309) 4.629 7.205 ( -2.637 -4.184 16.605) 17.325 7.292 ( -1.275 -5.198 11.291) 12.496 7.309 ( -2.290 -1.369 17.785) 17.984 7.562 ( -0.721 -0.604 -6.346) 6.415 7.627 ( 0.534 -0.011 -5.932) 5.956 7.697 ( -0.944 -1.286 -11.619) 11.728 8.731 ( 2.794 1.810 11.573) 12.042 8.799 ( -0.372 4.167 8.311) 9.305 8.999 ( 3.405 2.702 22.258) 22.679 9.247 ( 4.351 9.913 2.745) 11.169 9.462 ( 2.153 2.144 -20.238) 20.465 9.551 ( 2.601 5.092 -19.382) 20.208 10.574 ( -0.811 -1.806 10.467) 10.653 10.627 ( 0.043 0.220 11.426) 11.429 10.756 ( -0.679 -0.735 -5.994) 6.077 10.828 ( 0.957 1.518 -1.936) 2.640 10.993 ( -4.601 -7.673 9.590) 13.115 11.341 ( -0.665 -3.346 17.188) 17.524 11.422 ( -6.999 -9.921 -22.294) 25.386 11.859 ( 0.129 -0.693 -29.239) 29.248 12.031 ( 5.532 10.105 23.858) 26.494 12.504 ( 3.882 6.909 -15.177) 17.121 12.564 ( -0.899 -1.558 12.874) 12.999 12.999 ( -1.877 -3.446 -22.635) 22.973 13.755 ( 1.630 2.647 20.824) 21.055 13.836 ( 3.664 6.689 19.371) 20.818 14.180 ( 1.104 1.345 -18.928) 19.008 14.199 ( 0.923 2.060 -17.930) 18.071 15.561 ( -1.620 -2.903 15.610) 15.960 15.649 ( 0.142 0.427 23.808) 23.812 15.915 ( -4.827 -8.524 -18.644) 21.061 16.130 ( 0.844 1.544 -23.915) 23.980 17.505 ( -0.957 -1.692 11.010) 11.181 17.628 ( -3.361 -5.791 -1.161) 6.795 20.610 ( 0.273 0.471 -0.220) 0.587 20.640 ( -0.112 -0.193 -3.122) 3.130======================= Grid point 181 (38/40) =======================q-point: ( 0.33 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( -0.696 3.116 7.372) 8.033 1.786 ( 0.972 2.784 0.428) 2.980 1.900 ( 2.806 -1.311 -2.903) 4.245 1.922 ( 0.739 0.692 -6.014) 6.098 2.526 ( 1.913 2.992 11.113) 11.667 2.628 ( 0.037 -0.697 7.700) 7.731 2.654 ( -0.696 4.493 5.121) 6.848 2.719 ( 1.383 0.940 -3.379) 3.770 2.767 ( -1.397 -1.263 8.336) 8.547 2.824 ( -1.865 -3.296 5.000) 6.272 2.872 ( -0.950 -2.902 5.882) 6.628 2.904 ( -0.058 -1.082 1.336) 1.720 2.953 ( -3.852 -3.201 0.056) 5.009 2.982 ( 1.826 -0.296 -5.302) 5.616 3.080 ( -0.244 -4.046 -9.947) 10.741 3.149 ( -0.426 -0.346 -13.478) 13.490 3.372 ( -1.078 0.031 -1.219) 1.628 3.431 ( -1.856 -0.678 -6.817) 7.097 3.489 ( 0.188 -1.449 1.837) 2.347 3.590 ( -1.103 -2.351 -6.724) 7.208 3.816 ( 1.337 0.871 4.178) 4.473 3.898 ( 0.248 2.430 -2.215) 3.298 4.346 ( 1.142 1.291 11.745) 11.871 4.377 ( 1.701 0.189 6.970) 7.177 4.444 ( 0.670 0.907 3.209) 3.401 4.495 ( 0.063 1.872 3.008) 3.543 4.502 ( 0.494 1.539 -0.672) 1.751 4.551 ( 2.936 2.962 3.591) 5.503 4.577 ( 0.109 -1.875 -1.619) 2.479 4.596 ( -1.011 0.761 -0.052) 1.266 4.663 ( 1.931 5.429 0.240) 5.767 4.746 ( -0.398 1.716 -6.102) 6.351 4.784 ( 1.003 1.840 -1.507) 2.581 4.831 ( 0.623 0.864 -5.407) 5.510 5.137 ( -1.275 -2.118 3.769) 4.507 5.214 ( -0.540 -0.484 -3.225) 3.305 5.593 ( -1.826 -1.364 1.219) 2.585 5.634 ( -2.204 -0.631 -2.683) 3.529 5.694 ( 0.225 -3.358 0.843) 3.470 5.719 ( 1.019 -4.047 -1.623) 4.477 5.939 ( 0.314 2.414 0.494) 2.484 5.981 ( -0.131 0.561 -3.501) 3.548 7.149 ( -0.507 -0.637 16.100) 16.121 7.195 ( -3.741 -0.940 14.085) 14.603 7.293 ( 2.244 -4.327 16.153) 16.873 7.544 ( -0.960 0.602 -8.184) 8.262 7.628 ( -0.566 0.159 -7.933) 7.955 7.674 ( 0.583 -1.866 -10.186) 10.372 8.783 ( -1.707 3.646 12.865) 13.480 8.836 ( 1.775 2.206 11.293) 11.642 9.080 ( 2.180 0.403 21.897) 22.009 9.374 ( 0.396 6.549 -5.155) 8.344 9.548 ( 5.054 -0.237 -15.790) 16.581 9.607 ( -0.046 0.403 -19.327) 19.331 10.554 ( -0.283 0.056 10.782) 10.786 10.617 ( -2.259 1.512 14.527) 14.779 10.741 ( 1.240 -1.242 0.799) 1.928 10.801 ( -1.473 -3.848 10.023) 10.836 10.948 ( 0.203 3.804 -15.383) 15.848 11.222 ( -3.545 -7.344 -22.153) 23.607 11.312 ( 0.166 -2.083 21.028) 21.132 11.849 ( 0.037 -1.016 -29.553) 29.570 12.205 ( 3.261 6.484 23.439) 24.537 12.449 ( -2.057 -4.469 22.500) 23.032 12.687 ( 1.877 7.346 -22.226) 23.483 12.933 ( -0.949 -3.722 -24.004) 24.310 13.800 ( 0.365 1.918 20.306) 20.400 13.975 ( 3.206 5.902 13.827) 15.372 14.182 ( -0.429 -2.350 -5.006) 5.547 14.234 ( 0.591 1.676 -21.252) 21.326 15.526 ( -0.077 -0.296 6.129) 6.137 15.653 ( -0.269 0.717 23.925) 23.937 15.746 ( -2.083 -8.852 -13.291) 16.104 16.157 ( -0.427 2.483 -25.139) 25.265 17.485 ( 0.332 -0.417 7.312) 7.332 17.525 ( -2.448 -3.006 3.543) 5.252 20.620 ( 0.218 0.420 -1.030) 1.134 20.635 ( -0.134 -0.249 -2.511) 2.527======================= Grid point 182 (39/40) =======================q-point: (-0.50 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.705 ( -2.382 1.980 7.484) 8.100 1.824 ( -0.731 3.076 0.097) 3.163 1.853 ( -3.058 -4.663 -2.345) 6.049 1.931 ( -0.527 -0.942 -6.119) 6.213 2.548 ( -3.592 -2.192 10.218) 11.051 2.587 ( -0.598 3.070 8.652) 9.200 2.683 ( -2.959 1.098 2.589) 4.082 2.731 ( -0.588 -0.454 -0.789) 1.083 2.772 ( 2.627 -1.191 9.930) 10.340 2.794 ( 2.299 1.730 3.458) 4.499 2.883 ( 2.798 1.110 -1.325) 3.289 2.893 ( 2.173 -1.930 7.997) 8.509 2.935 ( 1.600 0.251 -1.990) 2.566 3.021 ( 2.308 -0.060 -4.104) 4.709 3.062 ( 3.065 -2.158 -8.173) 8.991 3.152 ( 0.749 0.029 -13.746) 13.766 3.399 ( 1.054 -0.233 -3.095) 3.278 3.413 ( 2.300 1.968 -4.950) 5.802 3.483 ( -0.164 -0.391 1.540) 1.597 3.584 ( 2.261 -0.158 -6.647) 7.022 3.822 ( -0.787 -0.978 3.512) 3.729 3.896 ( -2.498 1.146 -1.845) 3.311 4.349 ( -1.422 -0.417 12.060) 12.151 4.375 ( -1.131 -1.363 5.564) 5.839 4.433 ( -1.783 0.398 5.460) 5.757 4.499 ( -0.884 0.307 -0.281) 0.977 4.525 ( -1.909 1.068 1.919) 2.910 4.533 ( -2.986 -1.558 1.268) 3.599 4.577 ( 1.959 -0.844 0.147) 2.138 4.598 ( -1.725 0.842 0.584) 2.007 4.663 ( -5.157 1.199 0.502) 5.318 4.766 ( -0.906 0.455 -8.388) 8.449 4.791 ( -1.982 1.432 -3.937) 4.634 4.797 ( -2.146 -0.596 -1.282) 2.570 5.143 ( 2.776 -0.122 3.449) 4.429 5.215 ( 0.690 0.189 -3.097) 3.178 5.597 ( 2.316 0.908 1.359) 2.835 5.642 ( 2.270 1.820 -2.968) 4.156 5.691 ( 2.563 -1.598 0.515) 3.064 5.708 ( 2.283 -3.367 -1.128) 4.221 5.940 ( -2.181 0.900 0.427) 2.398 5.981 ( -0.406 0.393 -3.463) 3.509 7.154 ( 0.875 -0.223 15.656) 15.682 7.188 ( 2.460 2.972 14.870) 15.362 7.296 ( 2.790 -3.972 15.766) 16.497 7.546 ( 0.162 1.095 -8.243) 8.317 7.623 ( -0.168 0.534 -7.774) 7.794 7.677 ( 1.451 -1.371 -10.242) 10.435 8.767 ( -3.275 2.739 14.281) 14.905 8.861 ( -1.166 0.066 8.167) 8.250 9.064 ( -2.710 -1.372 23.252) 23.449 9.394 ( -4.826 3.068 -3.740) 6.833 9.527 ( -2.782 -4.210 -17.268) 17.990 9.615 ( -0.318 -0.426 -18.892) 18.900 10.551 ( -0.120 0.459 11.133) 11.143 10.617 ( -0.089 2.476 13.452) 13.678 10.755 ( -0.097 -2.059 -0.421) 2.104 10.791 ( 4.726 -0.228 11.825) 12.736 10.951 ( -3.271 1.672 -15.479) 15.909 11.213 ( 7.079 -0.457 -17.640) 19.013 11.320 ( 2.763 -1.311 16.634) 16.912 11.847 ( 0.621 -0.463 -29.182) 29.192 12.206 ( -7.135 0.369 23.216) 24.291 12.448 ( 4.893 -0.435 22.513) 23.043 12.690 ( -7.211 1.992 -22.489) 23.701 12.930 ( 3.618 -0.989 -23.766) 24.060 13.799 ( -1.917 0.663 20.387) 20.488 13.979 ( -6.601 0.088 13.859) 15.351 14.177 ( 1.937 -0.602 -6.004) 6.338 14.237 ( -1.442 0.178 -20.407) 20.459 15.525 ( 0.266 -0.058 6.322) 6.327 15.657 ( -0.597 0.597 24.663) 24.677 15.743 ( 8.815 -2.636 -14.177) 16.901 16.158 ( -1.904 1.597 -25.189) 25.312 17.485 ( 0.213 -0.447 7.426) 7.442 17.526 ( 3.806 0.569 3.443) 5.164 20.620 ( -0.473 0.022 -1.027) 1.131 20.635 ( 0.283 -0.009 -2.513) 2.529======================= Grid point 187 (40/40) =======================q-point: ( 0.33 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( -0.000 -0.000 7.706) 7.706 1.855 ( -0.906 -1.812 -0.379) 2.061 1.855 ( 0.906 1.812 -0.379) 2.061 1.913 ( -0.000 -0.000 -8.401) 8.401 2.593 ( -0.990 -1.981 8.531) 8.814 2.593 ( 0.990 1.981 8.531) 8.814 2.710 ( 0.000 -0.000 5.222) 5.222 2.752 ( -0.286 -0.573 8.858) 8.881 2.752 ( 0.286 0.573 8.858) 8.881 2.770 ( -0.000 -0.000 3.368) 3.368 2.863 ( -1.031 -2.062 -2.428) 3.348 2.863 ( 1.031 2.062 -2.428) 3.348 2.887 ( 0.000 -0.000 4.418) 4.418 3.015 ( -0.747 -1.494 -7.557) 7.739 3.015 ( 0.747 1.494 -7.557) 7.739 3.144 ( -0.000 -0.000 -14.672) 14.672 3.394 ( -0.703 -1.406 -2.520) 2.970 3.394 ( 0.703 1.406 -2.520) 2.970 3.522 ( -1.537 -3.074 -5.370) 6.376 3.522 ( 1.537 3.074 -5.370) 6.376 3.828 ( -0.000 -0.000 5.633) 5.633 3.926 ( -0.000 -0.000 -2.660) 2.660 4.366 ( -0.384 -0.769 9.556) 9.595 4.366 ( 0.384 0.769 9.556) 9.595 4.452 ( -0.000 -0.000 3.372) 3.372 4.522 ( -0.865 -1.729 0.656) 2.042 4.522 ( 0.865 1.729 0.656) 2.042 4.532 ( 0.000 -0.000 -2.961) 2.961 4.607 ( -0.503 -1.005 4.110) 4.261 4.607 ( 0.503 1.005 4.110) 4.261 4.744 ( -0.960 -1.919 -1.012) 2.373 4.744 ( 0.960 1.919 -1.012) 2.373 4.826 ( -0.603 -1.206 -5.667) 5.825 4.826 ( 0.603 1.206 -5.667) 5.825 5.115 ( -0.000 -0.000 4.753) 4.753 5.211 ( -0.000 -0.000 -4.175) 4.175 5.577 ( -0.000 -0.000 1.672) 1.672 5.637 ( 0.000 -0.000 -4.211) 4.211 5.654 ( -0.144 -0.288 -0.410) 0.521 5.654 ( 0.144 0.288 -0.410) 0.521 5.977 ( -0.478 -0.956 -1.527) 1.864 5.977 ( 0.478 0.956 -1.527) 1.864 7.166 ( -0.755 -1.509 13.379) 13.485 7.166 ( 0.755 1.509 13.379) 13.485 7.239 ( -0.000 -0.000 20.760) 20.760 7.552 ( -0.000 -0.000 -9.109) 9.109 7.640 ( -0.565 -1.130 -9.546) 9.629 7.640 ( 0.565 1.130 -9.546) 9.629 8.847 ( -0.975 -1.949 12.231) 12.423 8.847 ( 0.975 1.949 12.231) 12.423 9.082 ( -0.000 -0.000 24.999) 24.999 9.500 ( -1.953 -3.906 -10.325) 11.211 9.500 ( 1.953 3.906 -10.325) 11.211 9.596 ( -0.000 0.000 -22.627) 22.627 10.562 ( -0.000 -0.000 10.004) 10.004 10.677 ( -1.970 -3.940 18.248) 18.772 10.677 ( 1.970 3.940 18.248) 18.772 10.759 ( -0.000 -0.000 -8.703) 8.703 11.068 ( -3.231 -6.463 -20.041) 21.304 11.068 ( 3.231 6.463 -20.041) 21.304 11.287 ( -0.000 -0.000 22.171) 22.171 11.835 ( -0.000 -0.000 -30.039) 30.039 12.338 ( -2.773 -5.545 23.978) 24.766 12.338 ( 2.773 5.545 23.978) 24.766 12.831 ( -2.753 -5.506 -23.906) 24.686 12.831 ( 2.753 5.506 -23.906) 24.686 13.823 ( -0.000 -0.000 20.636) 20.636 14.099 ( -2.461 -4.923 6.083) 8.203 14.099 ( 2.461 4.922 6.083) 8.203 14.254 ( -0.000 -0.000 -21.973) 21.973 15.579 ( -2.623 -5.245 -5.269) 7.884 15.579 ( 2.623 5.245 -5.269) 7.884 15.666 ( -0.000 -0.000 25.564) 25.564 16.188 ( -0.000 -0.000 -26.525) 26.525 17.486 ( -0.347 -0.694 5.701) 5.753 17.486 ( 0.347 0.694 5.701) 5.753 20.629 ( -0.177 -0.353 -1.805) 1.848 20.629 ( 0.177 0.353 -1.805) 1.848=================== 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 3/25272 10.0 1015.429 1015.429 1011.617 0.000 -0.000 -0.000 3/25272 20.0 91.787 91.787 161.443 0.000 -0.000 -0.000 3/25272 30.0 28.051 28.051 56.704 0.000 -0.000 -0.000 3/25272 40.0 13.773 13.773 29.696 0.000 -0.000 -0.000 3/25272 50.0 8.560 8.560 19.183 0.000 -0.000 -0.000 3/25272 60.0 6.081 6.081 13.997 0.000 -0.000 -0.000 3/25272 70.0 4.687 4.687 11.018 0.000 -0.000 -0.000 3/25272 80.0 3.811 3.811 9.120 0.000 -0.000 -0.000 3/25272 90.0 3.214 3.214 7.816 0.000 -0.000 -0.000 3/25272 100.0 2.784 2.784 6.870 0.000 -0.000 -0.000 3/25272 110.0 2.459 2.459 6.153 0.000 -0.000 -0.000 3/25272 120.0 2.206 2.206 5.591 0.000 -0.000 -0.000 3/25272 130.0 2.003 2.003 5.138 0.000 -0.000 -0.000 3/25272 140.0 1.836 1.836 4.764 0.000 -0.000 -0.000 3/25272 150.0 1.696 1.696 4.448 0.000 -0.000 -0.000 3/25272 160.0 1.578 1.578 4.179 0.000 -0.000 -0.000 3/25272 170.0 1.476 1.476 3.944 0.000 -0.000 -0.000 3/25272 180.0 1.387 1.387 3.738 0.000 -0.000 -0.000 3/25272 190.0 1.309 1.309 3.555 0.000 -0.000 -0.000 3/25272 200.0 1.239 1.239 3.391 0.000 -0.000 -0.000 3/25272 210.0 1.177 1.177 3.243 0.000 -0.000 -0.000 3/25272 220.0 1.122 1.122 3.108 0.000 -0.000 -0.000 3/25272 230.0 1.071 1.071 2.984 0.000 -0.000 -0.000 3/25272 240.0 1.025 1.025 2.871 0.000 -0.000 -0.000 3/25272 250.0 0.983 0.983 2.766 0.000 -0.000 -0.000 3/25272 260.0 0.944 0.944 2.669 0.000 -0.000 -0.000 3/25272 270.0 0.909 0.909 2.578 0.000 -0.000 -0.000 3/25272 280.0 0.876 0.876 2.494 0.000 -0.000 -0.000 3/25272 290.0 0.845 0.845 2.415 0.000 -0.000 -0.000 3/25272 300.0 0.817 0.817 2.341 0.000 -0.000 -0.000 3/25272 310.0 0.790 0.790 2.271 0.000 -0.000 -0.000 3/25272 320.0 0.765 0.765 2.206 0.000 -0.000 -0.000 3/25272 330.0 0.742 0.742 2.144 0.000 -0.000 -0.000 3/25272 340.0 0.720 0.720 2.085 0.000 -0.000 -0.000 3/25272 350.0 0.700 0.700 2.030 0.000 -0.000 -0.000 3/25272 360.0 0.680 0.680 1.977 0.000 -0.000 -0.000 3/25272 370.0 0.662 0.662 1.927 0.000 -0.000 -0.000 3/25272 380.0 0.644 0.644 1.880 0.000 -0.000 -0.000 3/25272 390.0 0.628 0.628 1.835 0.000 -0.000 -0.000 3/25272 400.0 0.612 0.612 1.791 0.000 -0.000 -0.000 3/25272 410.0 0.597 0.597 1.750 0.000 -0.000 -0.000 3/25272 420.0 0.583 0.583 1.711 0.000 -0.000 -0.000 3/25272 430.0 0.569 0.569 1.673 0.000 -0.000 -0.000 3/25272 440.0 0.556 0.556 1.637 0.000 -0.000 -0.000 3/25272 450.0 0.544 0.544 1.603 0.000 -0.000 -0.000 3/25272 460.0 0.532 0.532 1.570 0.000 -0.000 -0.000 3/25272 470.0 0.521 0.521 1.538 0.000 -0.000 -0.000 3/25272 480.0 0.510 0.510 1.507 0.000 -0.000 -0.000 3/25272 490.0 0.500 0.500 1.478 0.000 -0.000 -0.000 3/25272 500.0 0.490 0.490 1.450 0.000 -0.000 -0.000 3/25272 510.0 0.480 0.480 1.422 0.000 -0.000 -0.000 3/25272 520.0 0.471 0.471 1.396 0.000 -0.000 -0.000 3/25272 530.0 0.462 0.462 1.371 0.000 -0.000 -0.000 3/25272 540.0 0.454 0.454 1.346 0.000 -0.000 -0.000 3/25272 550.0 0.445 0.445 1.323 0.000 -0.000 -0.000 3/25272 560.0 0.438 0.438 1.300 0.000 -0.000 -0.000 3/25272 570.0 0.430 0.430 1.278 0.000 -0.000 -0.000 3/25272 580.0 0.422 0.422 1.257 0.000 -0.000 -0.000 3/25272 590.0 0.415 0.415 1.236 0.000 -0.000 -0.000 3/25272 600.0 0.408 0.408 1.216 0.000 -0.000 -0.000 3/25272 610.0 0.402 0.402 1.197 0.000 -0.000 -0.000 3/25272 620.0 0.395 0.395 1.178 0.000 -0.000 -0.000 3/25272 630.0 0.389 0.389 1.160 0.000 -0.000 -0.000 3/25272 640.0 0.383 0.383 1.143 0.000 -0.000 -0.000 3/25272 650.0 0.377 0.377 1.125 0.000 -0.000 -0.000 3/25272 660.0 0.371 0.371 1.109 0.000 -0.000 -0.000 3/25272 670.0 0.366 0.366 1.093 0.000 -0.000 -0.000 3/25272 680.0 0.361 0.361 1.077 0.000 -0.000 -0.000 3/25272 690.0 0.355 0.355 1.062 0.000 -0.000 -0.000 3/25272 700.0 0.350 0.350 1.047 0.000 -0.000 -0.000 3/25272 710.0 0.345 0.345 1.033 0.000 -0.000 -0.000 3/25272 720.0 0.341 0.341 1.019 0.000 -0.000 -0.000 3/25272 730.0 0.336 0.336 1.005 0.000 -0.000 -0.000 3/25272 740.0 0.331 0.331 0.992 0.000 -0.000 -0.000 3/25272 750.0 0.327 0.327 0.979 0.000 -0.000 -0.000 3/25272 760.0 0.323 0.323 0.966 0.000 -0.000 -0.000 3/25272 770.0 0.319 0.319 0.954 0.000 -0.000 -0.000 3/25272 780.0 0.314 0.314 0.942 0.000 -0.000 -0.000 3/25272 790.0 0.311 0.311 0.930 0.000 -0.000 -0.000 3/25272 800.0 0.307 0.307 0.919 0.000 -0.000 -0.000 3/25272 810.0 0.303 0.303 0.908 0.000 -0.000 -0.000 3/25272 820.0 0.299 0.299 0.897 0.000 -0.000 -0.000 3/25272 830.0 0.296 0.296 0.886 0.000 -0.000 -0.000 3/25272 840.0 0.292 0.292 0.876 0.000 -0.000 -0.000 3/25272 850.0 0.289 0.289 0.866 0.000 -0.000 -0.000 3/25272 860.0 0.285 0.285 0.856 0.000 -0.000 -0.000 3/25272 870.0 0.282 0.282 0.846 0.000 -0.000 -0.000 3/25272 880.0 0.279 0.279 0.837 0.000 -0.000 -0.000 3/25272 890.0 0.276 0.276 0.828 0.000 -0.000 -0.000 3/25272 900.0 0.273 0.273 0.819 0.000 -0.000 -0.000 3/25272 910.0 0.270 0.270 0.810 0.000 -0.000 -0.000 3/25272 920.0 0.267 0.267 0.801 0.000 -0.000 -0.000 3/25272 930.0 0.264 0.264 0.793 0.000 -0.000 -0.000 3/25272 940.0 0.261 0.261 0.784 0.000 -0.000 -0.000 3/25272 950.0 0.258 0.258 0.776 0.000 -0.000 -0.000 3/25272 960.0 0.256 0.256 0.768 0.000 -0.000 -0.000 3/25272 970.0 0.253 0.253 0.760 0.000 -0.000 -0.000 3/25272 980.0 0.250 0.250 0.753 0.000 -0.000 -0.000 3/25272 990.0 0.248 0.248 0.745 0.000 -0.000 -0.000 3/25272 1000.0 0.245 0.245 0.738 0.000 -0.000 -0.000 3/25272Thermal conductivity related properties were written into "kappa-m669.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 11:03:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|