# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/7d34fc71-1be4-431e-ac56-3e10ec00d352/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 BaSiF6 / R-3m (166) / materials id 5588](https://mdr.nims.go.jp/datasets/8f614acb-d241-4c72-b3e7-394e5f83fbc1) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 20:55:49]-------------------------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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 72------------------------------ primitive cell ------------------------------Lattice vectors: a 3.602666658299462 2.080000564969679 2.322705643333331 b -3.602666658299454 2.080000564969679 2.322705643333331 c 0.000000000000004 -4.160001129939364 2.322705643333331Atomic positions (fractional): *1 F 0.74502833333802 0.74502833333802 0.07628218971660 18.998 2 F 0.74502833333802 0.07628218971660 0.74502833333802 18.998 3 F 0.25497166666198 0.92371781028340 0.25497166666198 18.998 4 F 0.25497166666198 0.25497166666198 0.92371781028340 18.998 5 F 0.92371781028340 0.25497166666198 0.25497166666198 18.998 6 F 0.07628218971660 0.74502833333802 0.74502833333802 18.998 *7 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 *8 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.205333316598916 0.000000000000000 0.000000000000000 b -3.602666658299458 6.240001694909044 0.000000000000000 c 0.000000000000000 0.000000000000000 6.968116930000000Atomic positions (fractional): *1 F 0.22291538120714 0.44583076241428 0.52211295213088 18.998 > 1 2 F 0.22291538120714 0.77708461879286 0.52211295213088 18.998 > 2 3 F 0.77708461879286 0.22291538120714 0.47788704786912 18.998 > 3 4 F 0.77708461879286 0.55416923758572 0.47788704786912 18.998 > 4 5 F 0.44583076241428 0.22291538120714 0.47788704786912 18.998 > 5 6 F 0.55416923758572 0.77708461879286 0.52211295213088 18.998 > 6 7 F 0.88958204787381 0.77916409574762 0.85544628546421 18.998 > 1 8 F 0.88958204787381 0.11041795212619 0.85544628546421 18.998 > 2 9 F 0.44375128545952 0.55624871454047 0.81122038120245 18.998 > 3 10 F 0.44375128545952 0.88750257091905 0.81122038120245 18.998 > 4 11 F 0.11249742908095 0.55624871454047 0.81122038120245 18.998 > 5 12 F 0.22083590425238 0.11041795212619 0.85544628546421 18.998 > 6 13 F 0.55624871454047 0.11249742908095 0.18877961879755 18.998 > 1 14 F 0.55624871454047 0.44375128545952 0.18877961879755 18.998 > 2 15 F 0.11041795212619 0.88958204787381 0.14455371453579 18.998 > 3 16 F 0.11041795212619 0.22083590425238 0.14455371453579 18.998 > 4 17 F 0.77916409574762 0.88958204787381 0.14455371453579 18.998 > 5 18 F 0.88750257091905 0.44375128545952 0.18877961879755 18.998 > 6 *19 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 7 20 Si 0.66666666666667 0.33333333333333 0.33333333333333 28.085 > 7 21 Si 0.33333333333333 0.66666666666667 0.66666666666667 28.085 > 7 *22 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 8 23 Ba 0.66666666666667 0.33333333333333 0.83333333333333 137.327 > 8 24 Ba 0.33333333333333 0.66666666666667 0.16666666666667 137.327 > 8-------------------------------- super cell --------------------------------Lattice vectors: a 7.205333316598916 0.000000000000000 0.000000000000000 b -3.602666658299458 6.240001694909044 0.000000000000000 c 0.000000000000000 0.000000000000000 13.936233860000000Atomic positions (fractional): *1 F 0.22291538120714 0.44583076241428 0.26105647606544 18.998 > 1 2 F 0.22291538120714 0.44583076241428 0.76105647606544 18.998 > 1 3 F 0.22291538120714 0.77708461879286 0.26105647606544 18.998 > 2 4 F 0.22291538120714 0.77708461879286 0.76105647606544 18.998 > 2 5 F 0.77708461879286 0.22291538120714 0.23894352393456 18.998 > 3 6 F 0.77708461879286 0.22291538120714 0.73894352393456 18.998 > 3 7 F 0.77708461879286 0.55416923758572 0.23894352393456 18.998 > 4 8 F 0.77708461879286 0.55416923758572 0.73894352393456 18.998 > 4 9 F 0.44583076241428 0.22291538120714 0.23894352393456 18.998 > 5 10 F 0.44583076241428 0.22291538120714 0.73894352393456 18.998 > 5 11 F 0.55416923758572 0.77708461879286 0.26105647606544 18.998 > 6 12 F 0.55416923758572 0.77708461879286 0.76105647606544 18.998 > 6 13 F 0.88958204787381 0.77916409574762 0.42772314273211 18.998 > 1 14 F 0.88958204787381 0.77916409574762 0.92772314273211 18.998 > 1 15 F 0.88958204787381 0.11041795212619 0.42772314273211 18.998 > 2 16 F 0.88958204787381 0.11041795212619 0.92772314273211 18.998 > 2 17 F 0.44375128545952 0.55624871454047 0.40561019060123 18.998 > 3 18 F 0.44375128545952 0.55624871454047 0.90561019060123 18.998 > 3 19 F 0.44375128545952 0.88750257091905 0.40561019060123 18.998 > 4 20 F 0.44375128545952 0.88750257091905 0.90561019060123 18.998 > 4 21 F 0.11249742908095 0.55624871454047 0.40561019060123 18.998 > 5 22 F 0.11249742908095 0.55624871454047 0.90561019060123 18.998 > 5 23 F 0.22083590425238 0.11041795212619 0.42772314273211 18.998 > 6 24 F 0.22083590425238 0.11041795212619 0.92772314273211 18.998 > 6 25 F 0.55624871454047 0.11249742908095 0.09438980939877 18.998 > 1 26 F 0.55624871454047 0.11249742908095 0.59438980939877 18.998 > 1 27 F 0.55624871454047 0.44375128545952 0.09438980939877 18.998 > 2 28 F 0.55624871454047 0.44375128545952 0.59438980939877 18.998 > 2 29 F 0.11041795212619 0.88958204787381 0.07227685726789 18.998 > 3 30 F 0.11041795212619 0.88958204787381 0.57227685726789 18.998 > 3 31 F 0.11041795212619 0.22083590425238 0.07227685726789 18.998 > 4 32 F 0.11041795212619 0.22083590425238 0.57227685726789 18.998 > 4 33 F 0.77916409574762 0.88958204787381 0.07227685726789 18.998 > 5 34 F 0.77916409574762 0.88958204787381 0.57227685726789 18.998 > 5 35 F 0.88750257091905 0.44375128545952 0.09438980939877 18.998 > 6 36 F 0.88750257091905 0.44375128545952 0.59438980939877 18.998 > 6 *37 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 7 38 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 7 39 Si 0.66666666666667 0.33333333333333 0.16666666666667 28.085 > 7 40 Si 0.66666666666667 0.33333333333333 0.66666666666667 28.085 > 7 41 Si 0.33333333333333 0.66666666666667 0.33333333333333 28.085 > 7 42 Si 0.33333333333333 0.66666666666667 0.83333333333333 28.085 > 7 *43 Ba 0.00000000000000 0.00000000000000 0.25000000000000 137.327 > 8 44 Ba 0.00000000000000 0.00000000000000 0.75000000000000 137.327 > 8 45 Ba 0.66666666666667 0.33333333333333 0.41666666666667 137.327 > 8 46 Ba 0.66666666666667 0.33333333333333 0.91666666666667 137.327 > 8 47 Ba 0.33333333333333 0.66666666666667 0.08333333333333 137.327 > 8 48 Ba 0.33333333333333 0.66666666666667 0.58333333333333 137.327 > 8----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.2319956 0.0000000 0.0000000 -0.0000000 2.2319956 0.0000000 0.0000000 0.0000000 2.3195383-------------------------- Born effective charges -------------------------- 1 F -0.6736592 0.0000000 0.0000000 0.0000000 -1.3585465 -0.1991497 -0.0000000 -0.2120473 -1.0927759 2 F -1.1873247 0.2965649 -0.1724687 0.2965649 -0.8448810 0.0995748 -0.1836384 0.1060237 -1.0927759 3 F -1.1873247 0.2965649 -0.1724687 0.2965649 -0.8448810 0.0995748 -0.1836384 0.1060237 -1.0927759 4 F -0.6736592 0.0000000 0.0000000 0.0000000 -1.3585465 -0.1991497 -0.0000000 -0.2120473 -1.0927759 5 F -1.1873247 -0.2965649 0.1724687 -0.2965649 -0.8448810 0.0995748 0.1836384 0.1060237 -1.0927759 6 F -1.1873247 -0.2965649 0.1724687 -0.2965649 -0.8448810 0.0995748 0.1836384 0.1060237 -1.0927759 7 Si 3.4170404 0.0000000 0.0000000 -0.0000000 3.4170404 0.0000000 0.0000000 -0.0000000 3.7949450 8 Ba 2.6795767 0.0000000 0.0000000 0.0000000 2.6795767 0.0000000 0.0000000 -0.0000000 2.7617101----------------------------------------------------------------------------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: 144/144Permutation basis: 2436/2436Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 190Number of blocks in projector: 138Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 87Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 60Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 43Use standard eigh solver.Tree of FC basis block matrices:- (190, 181), data: False|-- (43, 40), data: True|-- (60, 58), data: True|-- (87, 83), data: True-----Solver_atoms: 1 -- 48 / 48Time (Solver_compr_matrix_reshape): 0.001Solver_block: 80 / 80 - Time: 0.058Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.061--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 144/144Permutation basis: 2436/2436Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 190Number of blocks in projector: 138Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 87Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 60Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 43Use standard eigh solver.Tree of FC basis block matrices:- (190, 181), data: False|-- (43, 40), data: True|-- (60, 58), data: True|-- (87, 83), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 20:55:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 20:55:51]-------------------------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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.602666658299462 2.080000564969679 2.322705643333331 b -3.602666658299454 2.080000564969679 2.322705643333331 c 0.000000000000004 -4.160001129939364 2.322705643333331Atomic positions (fractional): 1 F 0.74502833333802 0.74502833333802 0.07628218971660 18.998 2 F 0.74502833333802 0.07628218971660 0.74502833333802 18.998 3 F 0.25497166666198 0.92371781028340 0.25497166666198 18.998 4 F 0.25497166666198 0.25497166666198 0.92371781028340 18.998 5 F 0.92371781028340 0.25497166666198 0.25497166666198 18.998 6 F 0.07628218971660 0.74502833333802 0.74502833333802 18.998 7 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 8 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327-------------------------------- supercell ---------------------------------Lattice vectors: a 7.205333316598916 0.000000000000000 0.000000000000000 b -3.602666658299458 6.240001694909044 0.000000000000000 c 0.000000000000000 0.000000000000000 13.936233860000000Atomic positions (fractional): 1 F 0.22291538120714 0.44583076241428 0.26105647606544 18.998 > 1 2 F 0.22291538120714 0.44583076241428 0.76105647606544 18.998 > 1 3 F 0.22291538120714 0.77708461879286 0.26105647606544 18.998 > 3 4 F 0.22291538120714 0.77708461879286 0.76105647606544 18.998 > 3 5 F 0.77708461879286 0.22291538120714 0.23894352393456 18.998 > 5 6 F 0.77708461879286 0.22291538120714 0.73894352393456 18.998 > 5 7 F 0.77708461879286 0.55416923758572 0.23894352393456 18.998 > 7 8 F 0.77708461879286 0.55416923758572 0.73894352393456 18.998 > 7 9 F 0.44583076241428 0.22291538120714 0.23894352393456 18.998 > 9 10 F 0.44583076241428 0.22291538120714 0.73894352393456 18.998 > 9 11 F 0.55416923758572 0.77708461879286 0.26105647606544 18.998 > 11 12 F 0.55416923758572 0.77708461879286 0.76105647606544 18.998 > 11 13 F 0.88958204787381 0.77916409574762 0.42772314273211 18.998 > 1 14 F 0.88958204787381 0.77916409574762 0.92772314273211 18.998 > 1 15 F 0.88958204787381 0.11041795212619 0.42772314273211 18.998 > 3 16 F 0.88958204787381 0.11041795212619 0.92772314273211 18.998 > 3 17 F 0.44375128545952 0.55624871454047 0.40561019060123 18.998 > 5 18 F 0.44375128545952 0.55624871454047 0.90561019060123 18.998 > 5 19 F 0.44375128545952 0.88750257091905 0.40561019060123 18.998 > 7 20 F 0.44375128545952 0.88750257091905 0.90561019060123 18.998 > 7 21 F 0.11249742908095 0.55624871454047 0.40561019060123 18.998 > 9 22 F 0.11249742908095 0.55624871454047 0.90561019060123 18.998 > 9 23 F 0.22083590425238 0.11041795212619 0.42772314273211 18.998 > 11 24 F 0.22083590425238 0.11041795212619 0.92772314273211 18.998 > 11 25 F 0.55624871454047 0.11249742908095 0.09438980939877 18.998 > 1 26 F 0.55624871454047 0.11249742908095 0.59438980939877 18.998 > 1 27 F 0.55624871454047 0.44375128545952 0.09438980939877 18.998 > 3 28 F 0.55624871454047 0.44375128545952 0.59438980939877 18.998 > 3 29 F 0.11041795212619 0.88958204787381 0.07227685726789 18.998 > 5 30 F 0.11041795212619 0.88958204787381 0.57227685726789 18.998 > 5 31 F 0.11041795212619 0.22083590425238 0.07227685726789 18.998 > 7 32 F 0.11041795212619 0.22083590425238 0.57227685726789 18.998 > 7 33 F 0.77916409574762 0.88958204787381 0.07227685726789 18.998 > 9 34 F 0.77916409574762 0.88958204787381 0.57227685726789 18.998 > 9 35 F 0.88750257091905 0.44375128545952 0.09438980939877 18.998 > 11 36 F 0.88750257091905 0.44375128545952 0.59438980939877 18.998 > 11 37 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 37 38 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 37 39 Si 0.66666666666667 0.33333333333333 0.16666666666667 28.085 > 37 40 Si 0.66666666666667 0.33333333333333 0.66666666666667 28.085 > 37 41 Si 0.33333333333333 0.66666666666667 0.33333333333333 28.085 > 37 42 Si 0.33333333333333 0.66666666666667 0.83333333333333 28.085 > 37 43 Ba 0.00000000000000 0.00000000000000 0.25000000000000 137.327 > 43 44 Ba 0.00000000000000 0.00000000000000 0.75000000000000 137.327 > 43 45 Ba 0.66666666666667 0.33333333333333 0.41666666666667 137.327 > 43 46 Ba 0.66666666666667 0.33333333333333 0.91666666666667 137.327 > 43 47 Ba 0.33333333333333 0.66666666666667 0.08333333333333 137.327 > 43 48 Ba 0.33333333333333 0.66666666666667 0.58333333333333 137.327 > 43----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.2319956 0.0000000 0.0000000 -0.0000000 2.2319956 0.0000000 0.0000000 0.0000000 2.3195383-------------------------- Born effective charges -------------------------- 1 F -0.6736592 0.0000000 0.0000000 0.0000000 -1.3585465 -0.1991497 -0.0000000 -0.2120473 -1.0927759 2 F -1.1873247 0.2965649 -0.1724687 0.2965649 -0.8448810 0.0995748 -0.1836384 0.1060237 -1.0927759 3 F -1.1873247 0.2965649 -0.1724687 0.2965649 -0.8448810 0.0995748 -0.1836384 0.1060237 -1.0927759 4 F -0.6736592 0.0000000 0.0000000 0.0000000 -1.3585465 -0.1991497 -0.0000000 -0.2120473 -1.0927759 5 F -1.1873247 -0.2965649 0.1724687 -0.2965649 -0.8448810 0.0995748 0.1836384 0.1060237 -1.0927759 6 F -1.1873247 -0.2965649 0.1724687 -0.2965649 -0.8448810 0.0995748 0.1836384 0.1060237 -1.0927759 7 Si 3.4170404 0.0000000 0.0000000 -0.0000000 3.4170404 0.0000000 0.0000000 -0.0000000 3.7949450 8 Ba 2.6795767 0.0000000 0.0000000 0.0000000 2.6795767 0.0000000 0.0000000 -0.0000000 2.7617101----------------------------------------------------------------------------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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 37, 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[ 43, 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]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000014 (zzz) 0.00000014 (zzz) 0.00000014 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): 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 2026-01-07 20:55:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 20:55:54]-------------------------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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.602666658299462 2.080000564969679 2.322705643333331 b -3.602666658299454 2.080000564969679 2.322705643333331 c 0.000000000000004 -4.160001129939364 2.322705643333331Atomic positions (fractional): 1 F 0.74502833333802 0.74502833333802 0.07628218971660 18.998 2 F 0.74502833333802 0.07628218971660 0.74502833333802 18.998 3 F 0.25497166666198 0.92371781028340 0.25497166666198 18.998 4 F 0.25497166666198 0.25497166666198 0.92371781028340 18.998 5 F 0.92371781028340 0.25497166666198 0.25497166666198 18.998 6 F 0.07628218971660 0.74502833333802 0.74502833333802 18.998 7 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 8 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327-------------------------------- supercell ---------------------------------Lattice vectors: a 7.205333316598916 0.000000000000000 0.000000000000000 b -3.602666658299458 6.240001694909044 0.000000000000000 c 0.000000000000000 0.000000000000000 13.936233860000000Atomic positions (fractional): 1 F 0.22291538120714 0.44583076241428 0.26105647606544 18.998 > 1 2 F 0.22291538120714 0.44583076241428 0.76105647606544 18.998 > 1 3 F 0.22291538120714 0.77708461879286 0.26105647606544 18.998 > 3 4 F 0.22291538120714 0.77708461879286 0.76105647606544 18.998 > 3 5 F 0.77708461879286 0.22291538120714 0.23894352393456 18.998 > 5 6 F 0.77708461879286 0.22291538120714 0.73894352393456 18.998 > 5 7 F 0.77708461879286 0.55416923758572 0.23894352393456 18.998 > 7 8 F 0.77708461879286 0.55416923758572 0.73894352393456 18.998 > 7 9 F 0.44583076241428 0.22291538120714 0.23894352393456 18.998 > 9 10 F 0.44583076241428 0.22291538120714 0.73894352393456 18.998 > 9 11 F 0.55416923758572 0.77708461879286 0.26105647606544 18.998 > 11 12 F 0.55416923758572 0.77708461879286 0.76105647606544 18.998 > 11 13 F 0.88958204787381 0.77916409574762 0.42772314273211 18.998 > 1 14 F 0.88958204787381 0.77916409574762 0.92772314273211 18.998 > 1 15 F 0.88958204787381 0.11041795212619 0.42772314273211 18.998 > 3 16 F 0.88958204787381 0.11041795212619 0.92772314273211 18.998 > 3 17 F 0.44375128545952 0.55624871454047 0.40561019060123 18.998 > 5 18 F 0.44375128545952 0.55624871454047 0.90561019060123 18.998 > 5 19 F 0.44375128545952 0.88750257091905 0.40561019060123 18.998 > 7 20 F 0.44375128545952 0.88750257091905 0.90561019060123 18.998 > 7 21 F 0.11249742908095 0.55624871454047 0.40561019060123 18.998 > 9 22 F 0.11249742908095 0.55624871454047 0.90561019060123 18.998 > 9 23 F 0.22083590425238 0.11041795212619 0.42772314273211 18.998 > 11 24 F 0.22083590425238 0.11041795212619 0.92772314273211 18.998 > 11 25 F 0.55624871454047 0.11249742908095 0.09438980939877 18.998 > 1 26 F 0.55624871454047 0.11249742908095 0.59438980939877 18.998 > 1 27 F 0.55624871454047 0.44375128545952 0.09438980939877 18.998 > 3 28 F 0.55624871454047 0.44375128545952 0.59438980939877 18.998 > 3 29 F 0.11041795212619 0.88958204787381 0.07227685726789 18.998 > 5 30 F 0.11041795212619 0.88958204787381 0.57227685726789 18.998 > 5 31 F 0.11041795212619 0.22083590425238 0.07227685726789 18.998 > 7 32 F 0.11041795212619 0.22083590425238 0.57227685726789 18.998 > 7 33 F 0.77916409574762 0.88958204787381 0.07227685726789 18.998 > 9 34 F 0.77916409574762 0.88958204787381 0.57227685726789 18.998 > 9 35 F 0.88750257091905 0.44375128545952 0.09438980939877 18.998 > 11 36 F 0.88750257091905 0.44375128545952 0.59438980939877 18.998 > 11 37 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 37 38 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 37 39 Si 0.66666666666667 0.33333333333333 0.16666666666667 28.085 > 37 40 Si 0.66666666666667 0.33333333333333 0.66666666666667 28.085 > 37 41 Si 0.33333333333333 0.66666666666667 0.33333333333333 28.085 > 37 42 Si 0.33333333333333 0.66666666666667 0.83333333333333 28.085 > 37 43 Ba 0.00000000000000 0.00000000000000 0.25000000000000 137.327 > 43 44 Ba 0.00000000000000 0.00000000000000 0.75000000000000 137.327 > 43 45 Ba 0.66666666666667 0.33333333333333 0.41666666666667 137.327 > 43 46 Ba 0.66666666666667 0.33333333333333 0.91666666666667 137.327 > 43 47 Ba 0.33333333333333 0.66666666666667 0.08333333333333 137.327 > 43 48 Ba 0.33333333333333 0.66666666666667 0.58333333333333 137.327 > 43----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.2319956 0.0000000 0.0000000 -0.0000000 2.2319956 0.0000000 0.0000000 0.0000000 2.3195383-------------------------- Born effective charges -------------------------- 1 F -0.6736592 0.0000000 0.0000000 0.0000000 -1.3585465 -0.1991497 -0.0000000 -0.2120473 -1.0927759 2 F -1.1873247 0.2965649 -0.1724687 0.2965649 -0.8448810 0.0995748 -0.1836384 0.1060237 -1.0927759 3 F -1.1873247 0.2965649 -0.1724687 0.2965649 -0.8448810 0.0995748 -0.1836384 0.1060237 -1.0927759 4 F -0.6736592 0.0000000 0.0000000 0.0000000 -1.3585465 -0.1991497 -0.0000000 -0.2120473 -1.0927759 5 F -1.1873247 -0.2965649 0.1724687 -0.2965649 -0.8448810 0.0995748 0.1836384 0.1060237 -1.0927759 6 F -1.1873247 -0.2965649 0.1724687 -0.2965649 -0.8448810 0.0995748 0.1836384 0.1060237 -1.0927759 7 Si 3.4170404 0.0000000 0.0000000 -0.0000000 3.4170404 0.0000000 0.0000000 -0.0000000 3.7949450 8 Ba 2.6795767 0.0000000 0.0000000 0.0000000 2.6795767 0.0000000 0.0000000 -0.0000000 2.7617101----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000014 (zzz) 0.00000014 (zzz) 0.00000014 (zzz)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 11 11 11 ]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: 0.88, Number of G-points: 299, Lambda: 0.14Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/146) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 146Calculating 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 0.525 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.136 ( 0.000 0.000 0.000) 0.000 8.136 ( 0.000 0.000 0.000) 0.000 11.450 ( 0.000 0.000 0.000) 0.000 11.450 ( 0.000 0.000 0.000) 0.000 11.522 ( 0.000 0.000 0.000) 0.000 12.980 ( 0.000 0.000 0.000) 0.000 12.980 ( 0.000 0.000 0.000) 0.000 14.187 ( 0.000 0.000 0.000) 0.000 14.326 ( 0.000 0.000 0.000) 0.000 14.326 ( 0.000 0.000 0.000) 0.000 19.347 ( 0.000 0.000 0.000) 0.000 20.832 ( 0.000 0.000 0.000) 0.000 20.832 ( 0.000 0.000 0.000) 0.000 21.253 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/146) =======================q-point: ( 0.09 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.395 ( 16.623 9.597 9.835) 21.567 0.608 ( 15.655 9.039 25.943) 31.620 0.880 ( 24.088 13.907 10.779) 29.830 0.888 ( 25.935 14.974 33.803) 45.160 3.106 ( -3.113 -1.797 -1.660) 3.960 3.490 ( 19.411 11.207 -30.140) 37.560 3.964 ( 0.384 0.221 -4.149) 4.173 3.994 ( 1.485 0.857 -0.964) 1.967 5.636 ( -31.321 -18.083 33.152) 49.062 7.949 ( -3.676 -2.122 -1.506) 4.504 8.136 ( -0.493 -0.285 0.822) 1.000 8.175 ( 1.477 0.853 -0.842) 1.902 11.421 ( -1.572 -0.907 -2.434) 3.036 11.457 ( 0.450 0.260 0.379) 0.643 11.514 ( -0.143 -0.083 -0.917) 0.932 12.977 ( -0.099 -0.057 -0.330) 0.349 13.161 ( 10.684 6.168 -9.954) 15.852 14.306 ( 0.235 0.136 -3.269) 3.280 14.308 ( -0.407 -0.235 -1.689) 1.753 14.457 ( -13.778 -7.955 20.267) 25.765 19.337 ( -0.666 -0.384 -0.718) 1.051 20.835 ( -1.449 -0.837 2.350) 2.885 21.049 ( 11.519 6.650 -14.740) 19.854 24.059 ( -14.067 -8.122 17.693) 24.019======================= Grid point 2 (3/146) =======================q-point: ( 0.18 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.780 ( 15.768 9.104 6.754) 19.420 1.197 ( 14.801 8.545 24.850) 30.160 1.456 ( 25.122 14.504 11.800) 31.317 1.744 ( 24.525 14.160 31.913) 42.667 3.008 ( -5.032 -2.905 -2.316) 6.255 3.396 ( 3.352 1.935 -13.323) 13.874 3.892 ( -0.623 -0.360 -6.590) 6.629 4.009 ( 2.210 1.276 -1.753) 3.095 5.495 ( -16.128 -9.312 6.377) 19.685 7.830 ( -6.851 -3.955 -2.849) 8.408 8.144 ( -0.435 -0.251 1.593) 1.671 8.195 ( 0.760 0.439 0.958) 1.299 11.340 ( -2.442 -1.410 -4.455) 5.273 11.473 ( 0.662 0.382 0.554) 0.944 11.496 ( -0.352 -0.203 -1.024) 1.102 12.968 ( -0.224 -0.129 -0.616) 0.668 13.227 ( 6.290 3.631 -2.122) 7.566 14.254 ( 0.467 0.270 -5.353) 5.380 14.281 ( 0.388 0.224 -2.212) 2.256 14.489 ( -7.335 -4.235 11.645) 14.399 19.309 ( -1.074 -0.620 -1.152) 1.693 20.843 ( -2.441 -1.410 3.886) 4.801 21.051 ( 4.537 2.620 -5.768) 7.792 24.051 ( -6.468 -3.734 7.612) 10.664======================= Grid point 3 (4/146) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( 12.823 7.404 2.878) 15.084 1.747 ( 13.211 7.627 22.949) 27.557 1.997 ( 21.153 12.213 10.433) 26.560 2.535 ( 22.158 12.793 28.639) 38.404 2.894 ( -5.008 -2.891 -1.525) 5.981 3.266 ( -1.219 -0.704 -8.787) 8.899 3.772 ( -2.964 -1.711 -6.959) 7.755 4.020 ( 2.103 1.214 -2.099) 3.210 5.261 ( -12.200 -7.044 -5.792) 15.231 7.659 ( -8.139 -4.699 -3.402) 9.995 8.161 ( -0.302 -0.174 1.830) 1.863 8.223 ( 0.583 0.336 1.597) 1.733 11.234 ( -2.482 -1.433 -4.907) 5.682 11.476 ( -0.474 -0.274 -0.919) 1.070 11.491 ( 0.596 0.344 0.481) 0.840 12.954 ( -0.337 -0.195 -0.774) 0.866 13.308 ( 4.395 2.538 0.353) 5.087 14.190 ( 0.620 0.358 -5.597) 5.642 14.266 ( 1.099 0.634 -1.912) 2.295 14.510 ( -5.313 -3.067 7.850) 9.963 19.274 ( -1.105 -0.638 -1.180) 1.738 20.853 ( -2.661 -1.537 4.136) 5.153 21.051 ( 1.950 1.126 -2.571) 3.417 24.041 ( -3.619 -2.089 3.906) 5.720======================= Grid point 4 (5/146) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.280 ( 8.222 4.747 -0.375) 9.502 2.229 ( 10.429 6.021 19.792) 23.167 2.414 ( 13.517 7.804 7.759) 17.430 2.815 ( -2.617 -1.511 -0.401) 3.049 3.127 ( 0.678 0.391 -4.679) 4.744 3.215 ( 14.746 8.514 16.725) 23.867 3.640 ( -2.815 -1.625 -1.030) 3.410 4.025 ( 1.459 0.843 -1.731) 2.416 4.935 ( -11.677 -6.742 -13.174) 18.851 7.487 ( -6.767 -3.907 -2.843) 8.315 8.179 ( -0.169 -0.098 1.441) 1.455 8.253 ( 0.443 0.256 1.411) 1.501 11.139 ( -1.825 -1.053 -3.745) 4.297 11.458 ( -0.398 -0.230 -0.657) 0.802 11.504 ( 0.376 0.217 0.277) 0.515 12.938 ( -0.332 -0.192 -0.677) 0.778 13.377 ( 2.697 1.557 0.841) 3.226 14.135 ( 0.558 0.322 -4.099) 4.149 14.266 ( 1.257 0.726 -1.272) 1.931 14.516 ( -3.651 -2.108 4.729) 6.336 19.244 ( -0.800 -0.462 -0.853) 1.257 20.861 ( -2.036 -1.175 3.096) 3.887 21.050 ( 0.724 0.418 -1.074) 1.361 24.032 ( -1.909 -1.102 1.904) 2.912======================= Grid point 5 (6/146) =======================q-point: ( 0.45 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.362 ( 2.761 1.594 -0.757) 3.276 2.578 ( 4.804 2.774 11.269) 12.560 2.630 ( 3.322 1.918 3.319) 5.072 2.797 ( 0.658 0.380 -0.281) 0.810 3.042 ( 0.521 0.301 -5.535) 5.567 3.345 ( -2.459 -1.420 -2.975) 4.113 3.918 ( 11.775 6.798 18.362) 22.848 4.025 ( 0.526 0.304 -0.665) 0.901 4.542 ( -10.887 -6.286 -15.324) 19.821 7.378 ( -2.674 -1.544 -1.128) 3.287 8.190 ( -0.053 -0.030 0.547) 0.550 8.271 ( 0.175 0.101 0.560) 0.595 11.083 ( -0.670 -0.387 -1.397) 1.597 11.447 ( -0.154 -0.089 -0.240) 0.299 11.511 ( 0.124 0.071 0.083) 0.165 12.928 ( -0.142 -0.082 -0.274) 0.319 13.416 ( 0.915 0.528 0.378) 1.122 14.105 ( 0.228 0.132 -1.487) 1.510 14.271 ( 0.579 0.334 -0.454) 0.809 14.514 ( -1.366 -0.789 1.603) 2.249 19.227 ( -0.289 -0.167 -0.308) 0.454 20.865 ( -0.760 -0.439 1.141) 1.439 21.048 ( 0.168 0.097 -0.290) 0.349 24.027 ( -0.600 -0.347 0.571) 0.898======================= Grid point 12 (7/146) =======================q-point: ( 0.09 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.705 ( 0.000 17.705 17.537) 24.920 0.772 ( 0.000 30.717 11.168) 32.684 1.069 ( 0.000 22.157 17.710) 28.365 1.453 ( 0.000 5.633 49.651) 49.969 3.194 ( 0.000 6.886 -10.373) 12.450 3.209 ( 0.000 2.258 3.390) 4.073 3.912 ( -0.000 -0.982 -4.661) 4.763 3.955 ( -0.000 0.131 -2.507) 2.511 5.765 ( -0.000 -22.611 -4.027) 22.967 7.922 ( -0.000 -4.101 -2.887) 5.015 8.154 ( -0.000 -0.461 1.481) 1.551 8.165 ( 0.000 0.948 0.384) 1.023 11.378 ( -0.000 -3.204 -3.412) 4.681 11.441 ( -0.000 -0.322 -0.618) 0.697 11.502 ( -0.000 -1.488 -0.346) 1.528 13.048 ( 0.000 3.156 3.110) 4.431 13.054 ( 0.000 7.220 -3.019) 7.826 14.238 ( -0.000 -1.718 -4.069) 4.417 14.286 ( 0.000 2.307 -4.178) 4.773 14.645 ( -0.000 -3.258 5.395) 6.303 19.323 ( -0.000 -0.803 -1.287) 1.517 20.945 ( 0.000 5.397 -1.482) 5.597 20.946 ( 0.000 1.237 7.803) 7.900 24.128 ( -0.000 -14.668 1.697) 14.766======================= Grid point 13 (8/146) =======================q-point: ( 0.18 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.956 ( -5.123 20.119 12.018) 23.988 1.317 ( 18.929 21.973 13.434) 31.963 1.549 ( 11.630 21.109 17.256) 29.641 2.151 ( 7.114 5.408 43.073) 43.991 3.058 ( -6.048 -0.339 -3.692) 7.094 3.283 ( 0.333 1.045 -0.232) 1.121 3.828 ( -1.530 -0.352 -5.323) 5.550 3.941 ( 3.199 -0.759 -2.720) 4.267 5.472 ( -4.311 -14.170 -13.358) 19.946 7.815 ( -3.590 -5.849 -4.179) 8.035 8.164 ( -0.321 -0.459 1.359) 1.470 8.192 ( 1.626 0.066 0.829) 1.826 11.286 ( -1.760 -3.525 -4.620) 6.072 11.446 ( 2.402 -0.513 -0.951) 2.634 11.487 ( -0.240 -1.887 0.213) 1.914 13.021 ( -4.640 4.103 0.346) 6.203 13.177 ( 5.706 4.041 1.695) 7.195 14.177 ( 0.290 -0.017 -4.618) 4.627 14.245 ( 0.442 3.000 -5.000) 5.848 14.658 ( -4.603 0.473 3.845) 6.017 19.294 ( -0.423 -1.002 -1.579) 1.917 20.947 ( -2.848 0.848 2.559) 3.921 21.060 ( -2.225 1.111 8.003) 8.380 24.037 ( 2.285 -11.197 -2.254) 11.648======================= Grid point 14 (9/146) =======================q-point: ( 0.27 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.175 ( -2.097 15.984 7.713) 17.871 1.870 ( 17.680 15.958 14.128) 27.692 2.065 ( 12.622 18.348 14.969) 26.833 2.790 ( 9.893 0.891 27.062) 28.827 2.965 ( -3.872 2.211 4.760) 6.522 3.233 ( -6.050 0.140 -1.252) 6.180 3.734 ( -3.464 -0.321 -3.875) 5.207 3.949 ( 4.152 -1.384 -2.124) 4.865 5.123 ( -3.258 -9.979 -19.173) 21.859 7.650 ( -5.411 -6.634 -4.822) 9.826 8.175 ( 0.261 -0.589 0.850) 1.067 8.223 ( 1.755 -0.229 0.569) 1.859 11.178 ( -1.450 -3.275 -4.570) 5.807 11.459 ( 2.567 -0.798 -1.392) 3.028 11.476 ( -0.482 -1.726 1.002) 2.053 12.999 ( -4.139 3.437 0.554) 5.409 13.291 ( 4.063 3.045 2.113) 5.500 14.128 ( 0.011 1.644 -3.967) 4.294 14.219 ( 1.912 3.059 -4.574) 5.825 14.644 ( -5.302 1.195 2.670) 6.055 19.261 ( -0.459 -0.976 -1.476) 1.828 20.944 ( -2.829 -0.771 2.352) 3.759 21.119 ( -6.537 0.464 8.903) 11.055 23.969 ( 5.892 -9.109 -4.819) 11.870======================= Grid point 15 (10/146) =======================q-point: ( 0.36 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( -1.976 11.201 5.369) 12.578 2.343 ( 13.469 9.135 12.807) 20.710 2.496 ( 7.833 14.710 11.899) 20.478 2.834 ( -2.379 -3.579 -0.315) 4.309 3.113 ( -5.979 1.225 -2.377) 6.549 3.351 ( 3.215 5.187 13.688) 14.987 3.689 ( 1.877 0.806 6.894) 7.190 3.967 ( 3.855 -1.887 -1.028) 4.413 4.748 ( -3.942 -7.827 -21.121) 22.867 7.476 ( -4.539 -5.955 -4.408) 8.688 8.181 ( 0.646 -0.663 -0.107) 0.932 8.245 ( 1.733 -0.423 -0.190) 1.794 11.092 ( -0.207 -2.782 -3.195) 4.241 11.457 ( 0.422 -1.512 -0.115) 1.573 11.481 ( 1.101 -0.862 0.196) 1.412 12.981 ( -3.789 3.190 0.808) 5.019 13.375 ( 2.278 1.968 1.785) 3.500 14.103 ( -0.115 2.395 -1.822) 3.011 14.217 ( 2.893 3.199 -4.031) 5.903 14.612 ( -5.206 1.383 1.109) 5.499 19.233 ( -0.170 -0.774 -1.057) 1.321 20.925 ( -2.565 -1.039 0.946) 2.924 21.142 ( -8.244 -0.120 8.948) 12.168 23.924 ( 8.232 -7.686 -6.483) 12.995======================= Grid point 16 (11/146) =======================q-point: ( 0.45 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.434 ( -3.453 6.496 5.725) 9.322 2.589 ( 3.105 -1.006 -0.150) 3.267 2.739 ( -2.883 8.317 4.011) 9.673 2.817 ( -0.752 1.112 3.558) 3.803 3.077 ( -1.165 7.047 3.761) 8.072 3.349 ( -5.136 -1.319 -1.109) 5.418 3.968 ( 8.365 -0.641 1.040) 8.454 3.995 ( 4.153 -1.306 3.632) 5.669 4.411 ( -2.445 -2.967 -9.762) 10.492 7.355 ( -0.828 -3.680 -2.789) 4.691 8.177 ( 0.926 -0.730 -1.271) 1.734 8.253 ( 1.496 -0.563 -1.210) 2.005 11.054 ( 1.572 -2.165 -1.084) 2.887 11.452 ( 0.095 -1.579 0.699) 1.729 11.490 ( 0.873 -0.535 0.037) 1.024 12.973 ( -3.347 3.162 1.241) 4.768 13.421 ( 0.441 0.881 1.068) 1.453 14.112 ( -0.267 2.319 0.911) 2.506 14.230 ( 3.053 3.365 -3.543) 5.762 14.564 ( -4.492 1.849 -0.645) 4.900 19.219 ( 0.322 -0.469 -0.478) 0.743 20.891 ( -1.758 -0.419 -1.029) 2.079 21.150 ( -8.463 -0.547 8.964) 12.340 23.893 ( 9.675 -6.613 -7.726) 14.037======================= Grid point 17 (12/146) =======================q-point: (-0.45 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( -6.712 1.928 5.964) 9.184 2.437 ( -6.251 -1.502 -16.147) 17.380 2.676 ( -8.240 2.794 -3.465) 9.366 2.858 ( -4.782 1.466 3.924) 6.357 3.187 ( -4.978 0.918 8.245) 9.675 3.371 ( 3.909 2.755 4.628) 6.655 3.745 ( -8.978 -7.414 -17.682) 21.171 4.021 ( 1.406 -2.790 1.239) 3.360 4.583 ( 14.244 4.701 8.804) 17.393 7.340 ( 4.411 -0.535 -0.490) 4.470 8.162 ( 1.177 -0.794 -2.251) 2.661 8.244 ( 1.086 -0.587 -2.068) 2.408 11.072 ( 3.540 -1.632 0.890) 3.998 11.455 ( 0.349 -1.738 1.093) 2.083 11.496 ( 0.083 -0.109 0.377) 0.402 12.976 ( -2.880 3.207 1.685) 4.628 13.428 ( -1.370 -0.116 0.422) 1.439 14.150 ( -0.310 1.517 3.094) 3.460 14.248 ( 2.381 3.470 -2.726) 5.014 14.511 ( -3.249 2.880 -2.543) 5.032 19.222 ( 0.891 -0.134 0.105) 0.907 20.851 ( -0.491 0.638 -2.862) 2.973 21.159 ( -8.341 -0.682 9.569) 12.712 23.868 ( 10.757 -5.842 -9.039) 15.216======================= Grid point 18 (13/146) =======================q-point: (-0.36 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( -11.430 -2.270 2.571) 11.933 2.040 ( -11.589 0.403 -25.025) 27.582 2.489 ( -15.583 -2.742 -4.135) 16.354 2.850 ( -3.470 2.821 2.401) 5.076 3.133 ( -21.348 -9.171 -15.688) 28.035 3.254 ( -0.747 -0.747 8.882) 8.945 3.678 ( 4.285 3.947 8.342) 10.175 4.031 ( 1.106 -3.970 1.478) 4.379 4.884 ( 16.665 3.729 1.232) 17.121 7.438 ( 8.692 1.986 1.377) 9.022 8.139 ( 1.415 -0.798 -2.675) 3.130 8.221 ( 0.684 -0.467 -2.357) 2.498 11.137 ( 5.347 -1.392 1.860) 5.830 11.462 ( 0.755 -1.840 0.798) 2.143 11.502 ( -0.966 0.289 1.338) 1.675 12.989 ( -2.545 3.187 1.870) 4.487 13.400 ( -2.994 -0.976 0.375) 3.171 14.200 ( 0.380 -0.037 3.313) 3.335 14.271 ( 1.004 3.596 -0.943) 3.851 14.459 ( -2.064 4.465 -4.407) 6.605 19.242 ( 1.407 0.160 0.562) 1.523 20.817 ( 0.818 1.700 -3.865) 4.301 21.182 ( -8.622 -0.499 11.039) 14.016 23.841 ( 11.831 -5.342 -10.804) 16.889======================= Grid point 19 (14/146) =======================q-point: (-0.27 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.220 ( -14.295 -5.136 -5.232) 16.065 1.533 ( -15.383 2.224 -26.712) 30.905 2.128 ( -25.730 -6.469 -5.108) 27.018 2.496 ( -30.336 -12.570 -13.966) 35.684 2.936 ( 0.131 7.624 3.073) 8.221 3.401 ( 1.547 0.294 13.093) 13.187 3.865 ( 1.834 1.636 10.029) 10.325 4.027 ( 0.843 -4.745 0.774) 4.881 5.070 ( 17.323 2.299 -9.593) 19.935 7.604 ( 10.431 2.854 2.059) 11.009 8.119 ( 1.581 -0.673 -2.362) 2.921 8.197 ( 0.435 -0.285 -1.919) 1.988 11.226 ( 6.654 -1.524 1.396) 6.967 11.465 ( 0.512 -1.126 -0.005) 1.237 11.513 ( -1.489 0.069 2.602) 2.999 13.004 ( -2.352 2.975 1.634) 4.129 13.356 ( -4.143 -1.598 1.585) 4.715 14.240 ( 1.354 -1.342 1.895) 2.688 14.297 ( 0.809 2.732 -0.986) 3.015 14.411 ( -2.377 6.281 -4.391) 8.024 19.272 ( 1.717 0.321 0.764) 1.906 20.798 ( 1.692 2.312 -3.619) 4.616 21.224 ( -9.430 0.037 13.271) 16.280 23.803 ( 12.850 -4.999 -13.123) 19.035======================= Grid point 20 (15/146) =======================q-point: (-0.18 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( -11.572 -4.683 -23.233) 26.374 1.047 ( -24.042 2.915 -10.480) 26.388 1.646 ( -32.268 -5.992 -4.426) 33.117 1.816 ( -38.853 -10.515 -9.270) 41.305 3.044 ( 2.042 5.850 2.488) 6.677 3.644 ( 1.996 3.154 19.037) 19.400 3.988 ( 0.741 -4.501 3.651) 5.843 4.018 ( -0.852 -1.715 5.927) 6.229 5.085 ( 16.067 0.678 -22.862) 27.952 7.776 ( 9.611 2.014 1.488) 9.932 8.111 ( 1.585 -0.358 -1.352) 2.114 8.181 ( 0.373 -0.151 -0.892) 0.979 11.311 ( 6.875 -1.625 0.082) 7.064 11.460 ( -0.174 -0.141 -0.140) 0.264 11.530 ( -1.331 -0.188 2.441) 2.787 13.012 ( -2.112 2.187 0.930) 3.180 13.327 ( -4.111 -1.498 4.277) 6.118 14.259 ( 0.769 -2.233 -1.138) 2.622 14.286 ( 2.943 3.183 -5.635) 7.109 14.387 ( -4.057 4.778 0.444) 6.283 19.306 ( 1.687 0.270 0.587) 1.806 20.799 ( 1.884 1.934 -2.149) 3.451 21.290 ( -9.550 0.886 14.386) 17.290 23.748 ( 12.509 -4.253 -14.409) 19.550======================= Grid point 21 (16/146) =======================q-point: (-0.09 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.407 ( -15.758 -0.000 0.000) 15.758 0.670 ( -27.522 -0.000 0.000) 27.522 1.158 ( -34.399 -0.000 0.000) 34.399 1.168 ( -44.724 -0.000 0.000) 44.724 3.113 ( 2.204 0.000 -0.000) 2.204 3.924 ( 4.731 0.000 -0.000) 4.731 3.957 ( 2.056 0.000 -0.000) 2.056 4.098 ( -1.146 -0.000 0.000) 1.146 4.960 ( 5.995 0.000 -0.000) 5.995 7.900 ( 6.969 0.000 -0.000) 6.969 8.119 ( 1.287 0.000 -0.000) 1.287 8.181 ( 0.483 0.000 -0.000) 0.483 11.380 ( 5.335 0.000 -0.000) 5.335 11.456 ( -0.357 -0.000 0.000) 0.357 11.533 ( -0.895 -0.000 0.000) 0.895 13.003 ( -1.669 -0.000 0.000) 1.669 13.335 ( -1.490 -0.000 0.000) 1.490 14.200 ( -1.049 -0.000 0.000) 1.049 14.303 ( 1.791 0.000 -0.000) 1.791 14.366 ( -3.107 -0.000 0.000) 3.107 19.330 ( 1.288 0.000 -0.000) 1.288 20.814 ( 1.430 0.000 -0.000) 1.430 21.325 ( -5.731 -0.000 0.000) 5.731 23.729 ( 7.598 0.000 -0.000) 7.598======================= Grid point 24 (17/146) =======================q-point: ( 0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( 0.000 17.730 15.440) 23.510 1.440 ( 0.000 27.121 6.854) 27.974 1.879 ( 0.000 22.234 18.486) 28.915 2.660 ( 0.000 0.042 35.206) 35.207 3.028 ( -0.000 -1.571 -0.949) 1.835 3.349 ( 0.000 0.751 3.937) 4.008 3.783 ( 0.000 1.507 -3.165) 3.505 3.873 ( -0.000 -1.953 -2.327) 3.038 5.148 ( -0.000 -12.415 -22.690) 25.865 7.725 ( -0.000 -7.617 -5.468) 9.377 8.179 ( -0.000 -0.302 -0.135) 0.331 8.185 ( -0.000 -0.658 1.191) 1.361 11.204 ( -0.000 -4.802 -5.020) 6.946 11.410 ( -0.000 -0.331 -1.061) 1.111 11.485 ( -0.000 -2.360 1.483) 2.787 13.089 ( 0.000 4.311 -0.857) 4.396 13.206 ( 0.000 4.203 4.321) 6.028 14.130 ( 0.000 1.665 -3.230) 3.634 14.190 ( 0.000 4.024 -6.416) 7.574 14.723 ( 0.000 3.519 0.093) 3.520 19.266 ( -0.000 -1.180 -1.720) 2.085 20.975 ( -0.000 -2.306 1.555) 2.781 21.251 ( 0.000 2.471 12.936) 13.170 23.858 ( -0.000 -13.423 -6.978) 15.129======================= Grid point 25 (18/146) =======================q-point: ( 0.27 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( -12.723 18.786 8.274) 24.150 1.928 ( 18.095 18.080 10.300) 27.576 2.307 ( 5.062 20.410 16.779) 26.903 2.865 ( -0.193 -6.125 2.531) 6.630 3.212 ( -0.403 2.375 20.154) 20.298 3.350 ( -3.634 0.401 5.697) 6.769 3.762 ( -4.262 2.587 -0.123) 4.988 3.861 ( 3.657 -2.519 -0.423) 4.461 4.752 ( 1.842 -9.337 -26.052) 27.736 7.572 ( -2.349 -8.506 -6.178) 10.772 8.167 ( 0.268 -0.793 -0.901) 1.229 8.200 ( 1.383 -0.649 0.035) 1.528 11.099 ( -0.255 -4.731 -4.847) 6.778 11.408 ( 1.638 -0.615 -0.758) 1.907 11.491 ( -0.515 -2.177 2.448) 3.317 13.085 ( -3.396 3.948 -0.049) 5.208 13.310 ( 2.351 3.599 3.584) 5.597 14.113 ( -0.691 3.413 -2.034) 4.032 14.151 ( 1.993 4.074 -5.315) 6.987 14.724 ( -2.808 4.696 -1.416) 5.652 19.236 ( -0.054 -1.120 -1.508) 1.879 20.964 ( -0.698 -3.712 0.800) 3.861 21.394 ( -8.128 2.536 13.740) 16.164 23.691 ( 7.315 -13.573 -10.101) 18.433======================= Grid point 26 (19/146) =======================q-point: ( 0.36 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.588 ( -9.518 12.720 6.707) 17.244 2.366 ( 14.474 9.402 7.102) 18.664 2.703 ( 3.660 16.466 13.294) 21.477 2.847 ( -1.005 1.046 2.176) 2.616 3.182 ( -7.411 -1.249 -1.770) 7.721 3.582 ( -8.315 4.481 10.758) 14.317 3.712 ( 5.937 -2.819 0.551) 6.595 3.906 ( 2.955 -2.143 3.194) 4.850 4.424 ( 3.278 -5.056 -19.110) 20.038 7.400 ( -2.107 -7.912 -5.831) 10.052 8.150 ( 1.079 -1.145 -2.068) 2.598 8.209 ( 1.695 -0.675 -1.020) 2.090 11.014 ( 1.333 -4.279 -3.818) 5.888 11.417 ( 1.730 -0.952 -0.399) 2.014 11.504 ( -1.086 -1.630 3.254) 3.798 13.070 ( -3.749 3.818 0.419) 5.367 13.397 ( 1.309 2.506 2.696) 3.906 14.105 ( 1.137 3.948 -3.413) 5.341 14.166 ( 1.214 4.183 -0.504) 4.385 14.689 ( -4.464 5.262 -2.366) 7.295 19.212 ( 0.206 -0.898 -1.048) 1.396 20.925 ( -0.931 -3.815 -0.869) 4.022 21.449 ( -13.286 1.823 13.543) 19.059 23.583 ( 13.187 -12.522 -11.990) 21.782======================= Grid point 27 (20/146) =======================q-point: ( 0.45 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( -6.673 5.612 5.777) 10.459 2.513 ( 1.071 1.316 -5.371) 5.633 2.910 ( -8.845 4.955 -0.595) 10.156 2.938 ( -1.203 7.690 9.877) 12.575 3.155 ( 6.621 8.375 3.358) 11.192 3.438 ( -9.955 -2.885 -2.561) 10.677 3.802 ( 3.919 -2.696 -4.521) 6.562 3.972 ( 2.546 -3.166 1.843) 4.462 4.330 ( 5.544 0.666 0.574) 5.613 7.273 ( 1.060 -5.636 -4.216) 7.118 8.124 ( 1.650 -1.399 -3.055) 3.744 8.206 ( 1.661 -0.620 -1.892) 2.593 10.975 ( 3.696 -3.764 -2.539) 5.855 11.427 ( 1.388 -1.119 0.113) 1.787 11.524 ( -1.685 -1.023 3.869) 4.342 13.060 ( -3.359 3.667 0.793) 5.036 13.448 ( -0.293 1.443 1.888) 2.394 14.112 ( 3.147 3.409 -3.801) 5.998 14.219 ( -0.440 4.015 2.870) 4.955 14.632 ( -5.401 6.059 -2.815) 8.591 19.202 ( 0.668 -0.594 -0.506) 1.027 20.866 ( -0.601 -2.994 -2.759) 4.116 21.457 ( -14.357 1.087 13.510) 19.744 23.519 ( 15.946 -11.000 -13.175) 23.428======================= Grid point 28 (21/146) =======================q-point: (-0.45 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( -5.255 -1.613 0.160) 5.499 2.332 ( -10.236 4.269 -15.656) 19.186 2.759 ( -8.241 2.481 -3.449) 9.272 3.036 ( -7.998 4.121 6.903) 11.340 3.308 ( -3.172 -3.504 0.539) 4.757 3.400 ( 4.749 4.758 4.117) 7.883 3.682 ( -8.183 0.198 -0.871) 8.232 3.982 ( 2.221 -5.353 1.095) 5.898 4.494 ( 12.552 2.069 0.800) 12.746 7.248 ( 5.987 -2.368 -1.825) 6.692 8.094 ( 2.049 -1.466 -3.438) 4.262 8.193 ( 1.397 -0.473 -2.302) 2.733 10.985 ( 6.096 -3.293 -1.613) 7.114 11.439 ( 1.021 -1.010 0.548) 1.537 11.546 ( -2.253 -0.605 4.218) 4.820 13.059 ( -2.743 3.374 1.032) 4.469 13.462 ( -1.912 0.545 1.341) 2.398 14.132 ( 4.149 2.762 -3.714) 6.216 14.278 ( -1.395 2.424 3.829) 4.742 14.575 ( -6.049 7.427 -2.093) 9.804 19.207 ( 1.225 -0.273 -0.024) 1.255 20.801 ( 0.372 -1.640 -3.989) 4.329 21.469 ( -13.501 1.058 14.376) 19.750 23.472 ( 16.738 -9.660 -14.393) 24.097======================= Grid point 29 (22/146) =======================q-point: (-0.36 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( -5.315 -5.408 -13.872) 15.809 1.977 ( -17.552 3.611 -13.178) 22.243 2.647 ( -13.225 2.215 0.641) 13.424 3.000 ( -10.670 2.559 3.033) 11.383 3.170 ( -14.034 -3.673 -7.377) 16.274 3.392 ( -3.946 0.536 7.960) 8.901 3.790 ( 3.735 3.150 10.750) 11.808 3.981 ( 2.264 -6.473 1.029) 6.934 4.643 ( 15.438 1.556 -7.799) 17.366 7.336 ( 10.236 0.265 0.131) 10.240 8.068 ( 2.303 -1.262 -2.984) 3.975 8.177 ( 1.076 -0.270 -2.053) 2.334 11.034 ( 7.898 -2.794 -1.216) 8.465 11.451 ( 0.646 -0.600 0.626) 1.081 11.566 ( -2.565 -0.429 4.036) 4.801 13.064 ( -2.217 2.812 0.961) 3.707 13.447 ( -3.151 -0.154 1.267) 3.400 14.160 ( 4.410 2.154 -3.150) 5.832 14.305 ( -1.497 0.297 1.267) 1.983 14.541 ( -6.701 8.056 0.520) 10.491 19.227 ( 1.753 -0.006 0.289) 1.776 20.754 ( 1.618 -0.231 -3.858) 4.190 21.510 ( -12.633 1.770 15.435) 20.024 23.423 ( 16.797 -8.447 -15.338) 24.264======================= Grid point 30 (23/146) =======================q-point: (-0.27 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( -8.078 -3.529 -21.010) 22.784 1.636 ( -21.420 1.258 -4.404) 21.904 2.405 ( -26.244 -0.761 0.046) 26.255 2.701 ( -29.327 -5.458 -4.789) 30.213 3.039 ( -3.002 5.680 1.364) 6.568 3.552 ( 3.788 4.380 11.694) 13.050 3.915 ( 4.652 -7.536 -0.853) 8.897 4.028 ( 0.153 -0.173 10.093) 10.095 4.697 ( 15.060 0.748 -14.253) 20.748 7.493 ( 12.167 1.059 0.761) 12.237 8.059 ( 2.379 -0.747 -1.732) 3.036 8.166 ( 0.825 -0.094 -1.184) 1.447 11.108 ( 8.646 -1.884 -0.888) 8.893 11.461 ( 0.233 -0.129 0.331) 0.425 11.577 ( -2.405 -0.299 2.754) 3.669 13.066 ( -1.950 1.785 0.567) 2.703 13.419 ( -3.472 -0.473 1.467) 3.799 14.193 ( 4.216 1.562 -2.175) 4.995 14.281 ( -1.773 -0.248 -1.227) 2.171 14.525 ( -6.651 5.156 1.828) 8.612 19.257 ( 2.088 0.108 0.323) 2.116 20.741 ( 2.492 0.555 -2.322) 3.451 21.563 ( -11.859 2.161 13.063) 17.775 23.386 ( 16.063 -6.030 -12.828) 21.423======================= Grid point 31 (24/146) =======================q-point: (-0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( -12.330 -0.000 0.000) 12.330 1.327 ( -24.012 -0.000 0.000) 24.012 2.020 ( -32.431 -0.000 0.000) 32.431 2.215 ( -37.324 -0.000 0.000) 37.324 3.064 ( 0.812 0.000 -0.000) 0.812 3.771 ( 6.806 0.000 -0.000) 6.806 3.888 ( 3.547 0.000 -0.000) 3.547 4.118 ( -0.417 -0.000 0.000) 0.417 4.735 ( 11.611 0.000 -0.000) 11.611 7.657 ( 11.713 0.000 -0.000) 11.713 8.074 ( 2.212 0.000 -0.000) 2.212 8.167 ( 0.662 0.000 -0.000) 0.662 11.202 ( 8.306 0.000 -0.000) 8.306 11.463 ( -0.112 -0.000 0.000) 0.112 11.568 ( -1.917 -0.000 0.000) 1.917 13.052 ( -1.982 -0.000 0.000) 1.982 13.390 ( -2.811 -0.000 0.000) 2.811 14.226 ( 1.673 0.000 -0.000) 1.673 14.249 ( -0.179 -0.000 0.000) 0.179 14.479 ( -5.780 -0.000 0.000) 5.780 19.286 ( 2.078 0.000 -0.000) 2.078 20.762 ( 2.587 0.000 -0.000) 2.587 21.532 ( -10.245 -0.000 0.000) 10.245 23.454 ( 13.769 0.000 -0.000) 13.769======================= Grid point 36 (25/146) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 0.000 13.637 0.916) 13.668 2.014 ( 0.000 15.781 12.890) 20.376 2.645 ( 0.000 19.397 16.382) 25.389 2.862 ( 0.000 -0.083 1.320) 1.323 3.352 ( -0.000 -4.462 -0.338) 4.475 3.483 ( 0.000 -0.986 11.004) 11.048 3.815 ( -0.000 -4.439 4.580) 6.378 3.892 ( 0.000 7.075 5.384) 8.890 4.325 ( -0.000 -6.427 -25.202) 26.008 7.431 ( -0.000 -9.584 -6.966) 11.848 8.134 ( -0.000 -1.176 -2.560) 2.817 8.185 ( -0.000 -0.621 -0.564) 0.839 10.996 ( -0.000 -5.079 -5.045) 7.159 11.392 ( -0.000 -0.408 0.213) 0.460 11.520 ( -0.000 -2.110 3.863) 4.401 13.126 ( 0.000 3.237 -0.754) 3.323 13.374 ( 0.000 3.659 3.906) 5.352 14.082 ( 0.000 4.535 -6.430) 7.868 14.157 ( 0.000 4.216 2.318) 4.811 14.751 ( 0.000 7.029 -3.512) 7.858 19.210 ( -0.000 -1.038 -1.253) 1.627 20.937 ( -0.000 -5.120 -0.524) 5.147 21.659 ( 0.000 3.415 14.372) 14.773 23.375 ( -0.000 -15.707 -13.251) 20.550======================= Grid point 37 (26/146) =======================q-point: ( 0.36 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( -8.373 5.079 0.190) 9.795 2.354 ( 9.201 10.557 7.197) 15.745 2.917 ( 0.799 9.025 3.021) 9.551 2.983 ( 0.965 15.913 13.078) 20.620 3.227 ( -9.335 -4.105 -4.572) 11.176 3.487 ( 7.660 -8.058 -12.258) 16.549 3.867 ( -9.279 2.693 9.961) 13.877 3.930 ( -1.361 -1.555 1.144) 2.362 4.171 ( 8.901 0.491 -3.255) 9.491 7.268 ( -0.186 -9.116 -6.651) 11.286 8.089 ( 0.851 -1.463 -3.497) 3.885 8.173 ( 0.772 -0.546 -1.425) 1.711 10.906 ( 1.480 -4.673 -4.404) 6.590 11.400 ( 0.603 -0.441 0.636) 0.981 11.559 ( -0.830 -1.748 4.960) 5.324 13.126 ( -1.540 2.817 -0.679) 3.282 13.448 ( 0.135 2.864 3.154) 4.262 14.044 ( 1.619 4.135 -5.679) 7.209 14.235 ( -0.444 3.863 4.907) 6.261 14.742 ( -2.588 8.955 -3.962) 10.129 19.190 ( 0.238 -0.815 -0.829) 1.186 20.878 ( -0.301 -5.349 -2.268) 5.817 21.801 ( -10.010 2.918 13.550) 17.097 23.147 ( 10.636 -15.046 -14.424) 23.400======================= Grid point 38 (27/146) =======================q-point: (-0.55 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( -4.620 -2.057 -4.918) 7.054 2.502 ( -2.904 7.959 -1.840) 8.670 2.963 ( -6.669 -3.647 -11.358) 13.667 3.099 ( 4.984 9.010 5.697) 11.768 3.223 ( 1.632 10.378 6.959) 12.601 3.379 ( -0.458 -1.615 -2.270) 2.823 3.864 ( -5.117 0.644 3.555) 6.264 3.953 ( -1.121 -2.979 3.818) 4.970 4.278 ( 5.874 0.874 1.757) 6.193 7.143 ( 2.440 -6.813 -4.986) 8.788 8.045 ( 1.574 -1.557 -3.791) 4.390 8.159 ( 1.137 -0.440 -1.915) 2.271 10.856 ( 3.729 -3.949 -3.403) 6.409 11.415 ( 0.749 -0.442 0.818) 1.194 11.600 ( -1.724 -1.290 5.356) 5.773 13.117 ( -1.703 2.460 -0.369) 3.014 13.497 ( -0.873 1.880 2.319) 3.110 14.034 ( 3.127 3.388 -4.759) 6.626 14.314 ( -1.209 1.806 5.058) 5.505 14.723 ( -4.911 10.720 -2.327) 12.018 19.183 ( 0.667 -0.536 -0.394) 0.942 20.798 ( -0.061 -4.595 -3.751) 5.932 21.828 ( -14.025 1.677 12.756) 19.032 23.037 ( 16.486 -12.248 -14.302) 25.027======================= Grid point 39 (28/146) =======================q-point: (-0.45 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.543 ( -2.874 -5.149 -14.923) 16.046 2.356 ( -12.189 2.983 -8.628) 15.229 2.836 ( -3.557 4.634 0.534) 5.866 3.187 ( 0.655 -3.408 1.443) 3.758 3.361 ( -9.735 4.432 3.880) 11.378 3.435 ( 6.673 8.812 4.365) 11.884 3.832 ( -5.112 -1.956 2.288) 5.932 3.953 ( -2.311 -2.982 4.414) 5.806 4.354 ( 6.913 0.211 -3.339) 7.680 7.115 ( 6.894 -3.412 -2.508) 8.091 8.011 ( 2.078 -1.352 -3.244) 4.083 8.146 ( 1.226 -0.295 -1.827) 2.220 10.854 ( 5.916 -2.995 -2.366) 7.040 11.433 ( 0.762 -0.343 0.793) 1.152 11.632 ( -2.436 -0.853 4.717) 5.377 13.111 ( -1.426 1.969 -0.076) 2.433 13.514 ( -2.084 0.971 1.602) 2.802 14.047 ( 4.126 2.479 -3.659) 6.047 14.350 ( -1.778 -0.183 2.343) 2.947 14.718 ( -6.776 10.364 0.887) 12.414 19.189 ( 1.203 -0.262 -0.063) 1.233 20.722 ( 0.871 -2.995 -3.975) 5.053 21.836 ( -12.816 1.641 13.199) 18.470 22.986 ( 17.097 -9.507 -14.362) 24.269======================= Grid point 40 (29/146) =======================q-point: (-0.36 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.239 ( -4.518 -3.580 -17.132) 18.076 2.104 ( -15.427 -0.003 -3.962) 15.927 2.852 ( -8.562 5.940 3.753) 11.076 3.150 ( -4.379 -3.314 -1.141) 5.609 3.264 ( -13.594 2.087 1.158) 13.802 3.556 ( -3.397 5.813 5.077) 8.433 3.789 ( 2.712 -7.251 -1.660) 7.918 4.020 ( -0.123 0.511 10.111) 10.124 4.369 ( 9.301 0.272 -9.666) 13.417 7.195 ( 10.809 -0.719 -0.540) 10.847 7.997 ( 2.397 -0.810 -1.877) 3.150 8.140 ( 1.165 -0.134 -1.128) 1.627 10.899 ( 7.527 -1.729 -1.272) 7.827 11.449 ( 0.677 -0.160 0.485) 0.848 11.645 ( -2.774 -0.436 2.866) 4.013 13.106 ( -1.236 1.209 0.066) 1.730 13.502 ( -2.974 0.263 0.943) 3.131 14.078 ( 4.598 1.411 -2.122) 5.257 14.335 ( -2.270 -0.389 0.102) 2.306 14.710 ( -7.682 6.140 1.948) 10.026 19.207 ( 1.735 -0.056 0.089) 1.738 20.682 ( 2.033 -1.093 -2.484) 3.391 21.865 ( -11.555 2.103 11.439) 16.395 22.963 ( 16.768 -6.363 -11.885) 21.515======================= Grid point 41 (30/146) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( -7.535 -0.000 0.000) 7.535 1.865 ( -18.443 -0.000 0.000) 18.443 2.719 ( -20.484 -0.000 0.000) 20.484 2.973 ( -19.728 -0.000 0.000) 19.728 3.131 ( -8.109 -0.000 0.000) 8.109 3.635 ( 1.686 0.000 -0.000) 1.686 3.770 ( 5.765 0.000 -0.000) 5.765 4.124 ( -0.170 -0.000 0.000) 0.170 4.412 ( 12.656 0.000 -0.000) 12.656 7.342 ( 12.570 0.000 -0.000) 12.570 8.013 ( 2.529 0.000 -0.000) 2.529 8.146 ( 1.032 0.000 -0.000) 1.032 10.985 ( 8.432 0.000 -0.000) 8.432 11.459 ( 0.472 0.000 -0.000) 0.472 11.628 ( -2.719 -0.000 0.000) 2.719 13.095 ( -1.388 -0.000 0.000) 1.388 13.469 ( -3.275 -0.000 0.000) 3.275 14.128 ( 4.587 0.000 -0.000) 4.587 14.302 ( -2.525 -0.000 0.000) 2.525 14.651 ( -7.591 -0.000 0.000) 7.591 19.232 ( 2.085 0.000 -0.000) 2.085 20.693 ( 2.665 0.000 -0.000) 2.665 21.816 ( -11.617 -0.000 0.000) 11.617 23.061 ( 16.716 0.000 -0.000) 16.716======================= Grid point 48 (31/146) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( -0.000 -3.858 -9.491) 10.245 2.515 ( 0.000 12.499 9.388) 15.632 2.958 ( 0.000 5.244 -12.236) 13.312 3.139 ( -0.000 0.396 -7.361) 7.372 3.185 ( 0.000 1.189 4.674) 4.822 3.369 ( 0.000 8.143 8.187) 11.547 3.903 ( -0.000 -5.053 -1.167) 5.186 4.062 ( 0.000 -1.437 6.147) 6.313 4.151 ( 0.000 5.775 5.658) 8.085 7.114 ( -0.000 -8.726 -6.316) 10.772 8.024 ( -0.000 -1.466 -3.848) 4.118 8.144 ( -0.000 -0.418 -1.719) 1.769 10.808 ( -0.000 -4.112 -3.946) 5.699 11.405 ( 0.000 -0.247 0.926) 0.959 11.623 ( 0.000 -1.551 5.663) 5.872 13.140 ( 0.000 1.920 -1.012) 2.170 13.507 ( 0.000 2.483 2.734) 3.693 13.992 ( 0.000 3.477 -4.855) 5.972 14.330 ( 0.000 1.645 5.368) 5.614 14.790 ( 0.000 12.072 -2.635) 12.356 19.175 ( -0.000 -0.612 -0.510) 0.797 20.800 ( -0.000 -5.733 -3.599) 6.769 22.060 ( 0.000 3.296 11.666) 12.123 22.772 ( -0.000 -14.712 -14.028) 20.328======================= Grid point 49 (32/146) =======================q-point: (-0.55 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.601 ( -1.453 -5.536 -16.189) 17.171 2.606 ( -8.314 3.011 -5.425) 10.373 2.801 ( 6.391 1.641 -3.311) 7.383 3.167 ( -1.350 -0.889 1.025) 1.914 3.267 ( 4.750 10.223 3.226) 11.725 3.549 ( -3.932 9.986 8.875) 13.926 3.849 ( 0.570 -7.249 -0.701) 7.306 4.088 ( -4.187 0.116 4.640) 6.251 4.260 ( 1.683 2.180 2.032) 3.423 6.998 ( 2.299 -6.333 -4.556) 8.134 7.972 ( 0.854 -1.228 -3.276) 3.601 8.122 ( 0.540 -0.287 -1.598) 1.711 10.750 ( 2.159 -3.044 -2.860) 4.702 11.417 ( 0.345 -0.162 0.822) 0.906 11.678 ( -0.990 -1.135 4.992) 5.214 13.135 ( -0.507 1.327 -0.756) 1.610 13.549 ( -0.710 1.654 1.946) 2.651 13.970 ( 1.695 2.466 -3.597) 4.679 14.384 ( -0.741 -0.354 2.720) 2.841 14.849 ( -2.964 11.931 0.659) 12.311 19.169 ( 0.400 -0.376 -0.222) 0.592 20.710 ( 0.202 -4.820 -4.059) 6.305 22.137 ( -10.094 1.368 8.752) 13.430 22.601 ( 12.065 -10.019 -10.961) 19.133======================= Grid point 50 (33/146) =======================q-point: (-0.45 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.323 ( -2.274 -3.825 -15.390) 16.020 2.408 ( -8.706 -1.404 -4.777) 10.029 2.925 ( 2.751 7.542 4.063) 8.997 3.127 ( 0.072 -5.475 -1.520) 5.683 3.465 ( 5.951 9.367 3.064) 11.513 3.606 ( -10.106 5.164 4.464) 12.195 3.794 ( 1.057 -7.459 -1.013) 7.601 4.095 ( -4.081 0.882 4.700) 6.287 4.267 ( -0.658 -0.087 -2.683) 2.763 6.975 ( 6.225 -2.764 -1.983) 7.094 7.946 ( 1.541 -0.732 -1.893) 2.549 8.113 ( 0.881 -0.147 -0.992) 1.335 10.746 ( 4.334 -1.645 -1.487) 4.868 11.431 ( 0.583 -0.097 0.492) 0.769 11.706 ( -1.864 -0.583 2.951) 3.538 13.129 ( -0.591 0.769 -0.332) 1.025 13.562 ( -1.683 0.731 1.018) 2.098 13.977 ( 3.094 1.308 -1.999) 3.909 14.385 ( -1.498 -0.508 0.553) 1.676 14.886 ( -5.563 7.088 1.783) 9.185 19.173 ( 0.895 -0.157 -0.044) 0.909 20.643 ( 1.030 -2.537 -2.710) 3.853 22.124 ( -8.789 0.845 7.667) 11.694 22.581 ( 12.817 -5.445 -8.785) 16.465======================= Grid point 51 (34/146) =======================q-point: (-0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( -3.793 -0.000 0.000) 3.793 2.247 ( -11.651 -0.000 0.000) 11.651 3.008 ( -5.991 -0.000 0.000) 5.991 3.094 ( 5.633 0.000 -0.000) 5.633 3.480 ( -14.746 -0.000 0.000) 14.746 3.611 ( 6.017 0.000 -0.000) 6.017 3.738 ( -3.849 -0.000 0.000) 3.849 4.131 ( -0.409 -0.000 0.000) 0.409 4.209 ( 0.776 0.000 -0.000) 0.776 7.056 ( 9.537 0.000 -0.000) 9.537 7.953 ( 2.066 0.000 -0.000) 2.066 8.118 ( 1.085 0.000 -0.000) 1.085 10.796 ( 6.170 0.000 -0.000) 6.170 11.442 ( 0.701 0.000 -0.000) 0.701 11.696 ( -2.476 -0.000 0.000) 2.476 13.122 ( -0.732 -0.000 0.000) 0.732 13.545 ( -2.497 -0.000 0.000) 2.497 14.014 ( 4.077 0.000 -0.000) 4.077 14.362 ( -2.112 -0.000 0.000) 2.112 14.844 ( -7.205 -0.000 0.000) 7.205 19.187 ( 1.395 0.000 -0.000) 1.395 20.635 ( 1.850 0.000 -0.000) 1.850 22.085 ( -9.131 -0.000 0.000) 9.131 22.655 ( 14.358 0.000 -0.000) 14.358======================= Grid point 60 (35/146) =======================q-point: ( 0.45 -0.55 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( -0.000 -3.984 -15.097) 15.614 2.529 ( -0.000 -3.485 -6.859) 7.694 2.846 ( 0.000 7.058 4.300) 8.265 3.149 ( -0.000 -4.480 -0.410) 4.499 3.377 ( 0.000 12.343 3.140) 12.737 3.738 ( 0.000 6.173 5.621) 8.348 3.771 ( -0.000 -8.172 -1.318) 8.278 4.138 ( -0.000 -0.723 1.263) 1.455 4.303 ( 0.000 1.712 1.632) 2.365 6.895 ( -0.000 -3.738 -2.661) 4.589 7.925 ( -0.000 -0.676 -1.881) 1.999 8.101 ( -0.000 -0.143 -0.924) 0.935 10.690 ( -0.000 -1.635 -1.568) 2.265 11.423 ( 0.000 -0.052 0.479) 0.482 11.731 ( 0.000 -0.649 2.987) 3.057 13.136 ( 0.000 0.597 -0.485) 0.769 13.584 ( 0.000 0.916 1.089) 1.424 13.936 ( 0.000 1.263 -1.937) 2.313 14.405 ( -0.000 -0.552 0.664) 0.864 14.961 ( 0.000 7.498 1.681) 7.684 19.162 ( -0.000 -0.184 -0.081) 0.201 20.630 ( -0.000 -3.156 -2.835) 4.243 22.317 ( 0.000 1.421 4.598) 4.812 22.333 ( -0.000 -6.142 -5.973) 8.567======================= Grid point 62 (36/146) =======================q-point: (-0.45 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( -1.302 -0.000 0.000) 1.302 2.447 ( -4.059 -0.000 0.000) 4.059 2.934 ( 4.438 0.000 -0.000) 4.438 3.111 ( -2.197 -0.000 0.000) 2.197 3.475 ( 3.117 0.000 -0.000) 3.117 3.731 ( 1.440 0.000 -0.000) 1.440 3.762 ( -5.782 -0.000 0.000) 5.782 4.141 ( -0.255 -0.000 0.000) 0.255 4.296 ( -3.513 -0.000 0.000) 3.513 6.886 ( 3.549 0.000 -0.000) 3.549 7.915 ( 0.809 0.000 -0.000) 0.809 8.097 ( 0.464 0.000 -0.000) 0.464 10.688 ( 2.260 0.000 -0.000) 2.260 11.428 ( 0.326 0.000 -0.000) 0.326 11.742 ( -0.997 -0.000 0.000) 0.997 13.134 ( -0.232 -0.000 0.000) 0.232 13.589 ( -0.907 -0.000 0.000) 0.907 13.938 ( 1.658 0.000 -0.000) 1.658 14.401 ( -0.819 -0.000 0.000) 0.819 14.982 ( -3.104 -0.000 0.000) 3.104 19.164 ( 0.452 0.000 -0.000) 0.452 20.603 ( 0.644 0.000 -0.000) 0.644 22.249 ( -3.459 -0.000 0.000) 3.459 22.389 ( 5.805 0.000 -0.000) 5.805======================= Grid point 135 (37/146) =======================q-point: ( 0.09 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.781 ( -0.000 -0.000 18.592) 18.592 0.781 ( 0.000 -0.000 18.592) 18.592 1.193 ( -0.000 -0.000 24.302) 24.302 2.059 ( -0.000 -0.000 47.256) 47.256 3.183 ( -0.000 -0.000 2.150) 2.150 3.183 ( 0.000 -0.000 2.150) 2.150 3.883 ( -0.000 -0.000 -4.187) 4.187 3.883 ( 0.000 -0.000 -4.187) 4.187 5.694 ( 0.000 0.000 -24.036) 24.036 7.906 ( 0.000 0.000 -4.250) 4.250 8.171 ( -0.000 -0.000 1.107) 1.107 8.171 ( 0.000 -0.000 1.107) 1.107 11.388 ( -0.000 0.000 -2.975) 2.975 11.388 ( 0.000 0.000 -2.975) 2.975 11.513 ( -0.000 -0.000 0.049) 0.049 13.040 ( -0.000 -0.000 2.884) 2.884 13.040 ( 0.000 -0.000 2.884) 2.884 14.192 ( -0.000 0.000 -5.732) 5.732 14.192 ( 0.000 0.000 -5.732) 5.732 14.686 ( 0.000 0.000 -0.030) 0.030 19.309 ( 0.000 0.000 -1.750) 1.750 21.019 ( -0.000 0.000 8.376) 8.376 21.019 ( 0.000 -0.000 8.376) 8.376 24.157 ( 0.000 0.000 -8.224) 8.224======================= Grid point 136 (38/146) =======================q-point: ( 0.18 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( 0.345 0.199 15.258) 15.263 1.263 ( 21.210 12.246 15.913) 29.207 1.614 ( 11.029 6.368 22.809) 26.124 2.658 ( 2.806 1.620 40.292) 40.422 3.106 ( -6.892 -3.979 1.946) 8.193 3.278 ( 0.519 0.300 2.183) 2.264 3.782 ( -2.370 -1.368 -3.843) 4.718 3.888 ( 3.482 2.010 -3.045) 5.044 5.302 ( -3.712 -2.143 -28.088) 28.414 7.810 ( -3.631 -2.096 -5.534) 6.943 8.177 ( -0.075 -0.043 0.383) 0.393 8.195 ( 1.192 0.688 0.394) 1.432 11.274 ( -4.061 -2.345 -4.103) 6.231 11.407 ( 3.358 1.939 -2.714) 4.733 11.511 ( -0.851 -0.491 0.914) 1.342 13.026 ( -3.005 -1.735 2.687) 4.389 13.159 ( 5.273 3.044 3.333) 6.942 14.108 ( -0.048 -0.028 -5.174) 5.174 14.144 ( 2.173 1.255 -5.685) 6.214 14.677 ( -0.767 -0.443 -0.273) 0.927 19.280 ( -0.437 -0.252 -1.891) 1.957 21.055 ( -4.794 -2.768 7.223) 9.101 21.169 ( -0.598 -0.345 10.267) 10.290 24.023 ( -0.210 -0.121 -10.136) 10.139======================= Grid point 137 (39/146) =======================q-point: ( 0.27 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( 1.966 1.135 11.997) 12.210 1.838 ( 23.044 13.305 13.695) 29.927 2.101 ( 12.955 7.479 19.437) 24.527 3.012 ( -7.308 -4.219 2.221) 8.725 3.181 ( 3.448 1.991 27.617) 27.902 3.235 ( -5.502 -3.177 1.193) 6.465 3.718 ( -1.980 -1.143 -0.257) 2.301 3.917 ( 3.443 1.988 -1.506) 4.252 4.877 ( -1.724 -0.995 -29.178) 29.246 7.651 ( -5.734 -3.311 -6.252) 9.107 8.178 ( 0.351 0.203 -0.633) 0.752 8.217 ( 1.531 0.884 -0.661) 1.888 11.160 ( -2.973 -1.716 -3.901) 5.196 11.427 ( 3.135 1.810 -2.672) 4.500 11.509 ( -1.616 -0.933 1.924) 2.680 13.010 ( -2.976 -1.718 2.617) 4.319 13.284 ( 4.292 2.478 2.992) 5.789 14.063 ( 0.980 0.566 -2.808) 3.027 14.119 ( 3.277 1.892 -5.092) 6.344 14.651 ( -1.395 -0.806 -1.028) 1.911 19.249 ( -0.459 -0.265 -1.667) 1.749 21.045 ( -5.715 -3.300 4.789) 8.154 21.261 ( -5.040 -2.910 11.423) 12.820 23.904 ( 3.214 1.856 -11.980) 12.542======================= Grid point 138 (40/146) =======================q-point: ( 0.36 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( 1.492 0.861 11.122) 11.255 2.360 ( 18.349 10.594 10.656) 23.716 2.522 ( 9.098 5.253 15.350) 18.601 2.920 ( -6.676 -3.855 1.723) 7.899 3.077 ( -6.358 -3.671 -3.935) 8.330 3.463 ( -4.424 -2.554 7.679) 9.223 3.784 ( 5.670 3.274 9.370) 11.431 3.963 ( 2.842 1.641 0.223) 3.289 4.506 ( -0.861 -0.497 -23.121) 23.143 7.474 ( -5.204 -3.004 -5.971) 8.470 8.171 ( 0.626 0.362 -1.781) 1.922 8.227 ( 1.608 0.929 -1.825) 2.604 11.081 ( -1.126 -0.650 -2.732) 3.025 11.442 ( 2.787 1.609 -2.721) 4.215 11.509 ( -2.167 -1.251 3.032) 3.931 12.997 ( -2.752 -1.589 2.785) 4.225 13.376 ( 2.556 1.475 2.296) 3.739 14.069 ( 1.486 0.858 0.472) 1.780 14.119 ( 3.951 2.281 -4.407) 6.343 14.602 ( -1.884 -1.088 -2.140) 3.051 19.224 ( -0.160 -0.092 -1.194) 1.208 20.992 ( -5.553 -3.206 1.836) 6.670 21.306 ( -7.671 -4.429 12.100) 14.995 23.817 ( 6.208 3.584 -13.624) 15.394======================= Grid point 139 (41/146) =======================q-point: ( 0.45 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( -0.646 -0.373 12.057) 12.080 2.552 ( -1.732 -1.000 -9.924) 10.123 2.736 ( -3.060 -1.767 4.689) 5.871 2.879 ( -0.998 -0.576 6.274) 6.379 3.079 ( 8.597 4.964 7.772) 12.608 3.391 ( -7.120 -4.111 1.996) 8.461 3.899 ( 1.444 0.833 -11.805) 11.922 4.014 ( 1.845 1.065 1.449) 2.577 4.358 ( 4.814 2.780 1.158) 5.678 7.342 ( -1.757 -1.015 -4.474) 4.913 8.153 ( 0.801 0.463 -2.764) 2.915 8.223 ( 1.469 0.848 -2.818) 3.289 11.054 ( 1.045 0.604 -1.267) 1.750 11.450 ( 2.433 1.405 -2.804) 3.969 11.516 ( -2.475 -1.429 4.100) 4.997 12.992 ( -2.365 -1.366 3.158) 4.175 13.429 ( 0.700 0.404 1.528) 1.729 14.121 ( 1.309 0.756 3.672) 3.971 14.134 ( 4.101 2.368 -3.724) 6.025 14.534 ( -1.981 -1.144 -3.215) 3.946 19.214 ( 0.330 0.191 -0.639) 0.744 20.913 ( -4.367 -2.522 -0.785) 5.104 21.328 ( -8.701 -5.023 12.779) 16.255 23.752 ( 8.256 4.766 -15.122) 17.876======================= Grid point 140 (42/146) =======================q-point: (-0.45 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( -5.627 -3.249 11.770) 13.444 2.207 ( -8.199 -4.734 -24.466) 26.233 2.661 ( -5.646 -3.260 -0.391) 6.531 2.931 ( -5.389 -3.111 6.132) 8.737 3.321 ( -3.773 -2.179 7.286) 8.490 3.388 ( 5.637 3.255 3.783) 7.529 3.639 ( -7.391 -4.267 -8.208) 11.841 4.057 ( 0.719 0.415 1.700) 1.892 4.556 ( 12.445 7.185 0.577) 14.382 7.312 ( 3.486 2.013 -2.176) 4.576 8.128 ( 0.962 0.555 -3.243) 3.428 8.205 ( 1.217 0.702 -3.270) 3.559 11.081 ( 3.124 1.804 -0.242) 3.615 11.450 ( 2.086 1.204 -2.996) 3.844 11.532 ( -2.574 -1.486 4.808) 5.653 12.999 ( -1.996 -1.152 3.533) 4.218 13.442 ( -1.014 -0.585 1.057) 1.578 14.158 ( 3.798 2.193 -2.848) 5.230 14.202 ( 0.595 0.344 5.983) 6.023 14.455 ( -1.705 -0.985 -4.008) 4.465 19.219 ( 0.897 0.518 -0.142) 1.045 20.833 ( -2.523 -1.457 -2.312) 3.720 21.353 ( -8.869 -5.121 13.874) 17.245 23.695 ( 9.649 5.571 -16.816) 20.172======================= Grid point 141 (43/146) =======================q-point: (-0.36 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.597 ( -13.086 -7.555 8.173) 17.179 1.699 ( -9.495 -5.482 -29.219) 31.208 2.537 ( -11.183 -6.457 0.251) 12.916 2.886 ( -4.973 -2.871 4.097) 7.054 3.101 ( -19.534 -11.278 -12.183) 25.636 3.383 ( -0.376 -0.217 8.401) 8.412 3.778 ( 4.799 2.771 14.197) 15.240 4.079 ( -0.302 -0.174 0.993) 1.052 4.730 ( 14.825 8.559 -9.939) 19.794 7.397 ( 8.042 4.643 -0.166) 9.288 8.104 ( 1.137 0.656 -2.995) 3.270 8.182 ( 1.010 0.583 -2.965) 3.186 11.146 ( 4.677 2.700 -0.023) 5.401 11.441 ( 1.781 1.029 -3.327) 3.911 11.552 ( -2.451 -1.415 4.639) 5.434 13.015 ( -1.835 -1.060 3.721) 4.282 13.427 ( -2.284 -1.319 1.148) 2.877 14.188 ( 3.073 1.774 -1.410) 3.818 14.289 ( -0.371 -0.214 6.750) 6.764 14.375 ( -1.326 -0.766 -4.262) 4.528 19.239 ( 1.416 0.818 0.190) 1.646 20.776 ( -0.589 -0.340 -2.234) 2.335 21.394 ( -8.752 -5.053 15.109) 18.177 23.635 ( 10.650 6.149 -18.669) 22.355======================= Grid point 142 (44/146) =======================q-point: (-0.27 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( -11.554 -6.671 -24.343) 27.759 1.406 ( -18.821 -10.866 4.882) 22.274 2.241 ( -23.155 -13.368 -0.333) 26.739 2.558 ( -28.096 -16.221 -8.715) 33.593 2.929 ( 1.905 1.100 5.474) 5.900 3.534 ( 4.097 2.366 9.538) 10.647 4.014 ( 0.969 0.559 13.630) 13.675 4.071 ( -1.091 -0.630 -0.508) 1.358 4.784 ( 14.429 8.331 -19.173) 25.401 7.558 ( 10.082 5.821 0.672) 11.661 8.091 ( 1.289 0.744 -2.018) 2.507 8.165 ( 0.937 0.541 -2.010) 2.282 11.230 ( 5.358 3.093 -0.314) 6.194 11.424 ( 1.622 0.937 -3.686) 4.135 11.566 ( -2.049 -1.183 3.004) 3.823 13.032 ( -1.935 -1.117 3.695) 4.318 13.401 ( -2.643 -1.526 1.399) 3.358 14.223 ( 1.304 0.753 0.807) 1.708 14.306 ( -0.702 -0.406 -3.053) 3.159 14.357 ( -1.322 -0.763 5.586) 5.791 19.269 ( 1.726 0.996 0.249) 2.008 20.759 ( 0.827 0.478 -0.472) 1.065 21.446 ( -8.319 -4.803 14.353) 17.271 23.569 ( 11.076 6.394 -18.970) 22.878======================= Grid point 143 (45/146) =======================q-point: (-0.18 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.768 ( -14.250 -8.227 3.382) 16.798 1.123 ( -21.872 -12.628 5.421) 25.831 1.795 ( -29.088 -16.794 0.993) 33.603 1.946 ( -33.831 -19.532 -4.483) 39.321 3.052 ( 2.958 1.708 5.828) 6.755 3.744 ( 7.120 4.111 6.255) 10.331 4.031 ( -1.349 -0.779 -2.370) 2.836 4.102 ( -0.459 -0.265 -6.581) 6.603 4.790 ( 10.249 5.917 -3.886) 12.456 7.732 ( 9.413 5.434 0.131) 10.869 8.096 ( 1.358 0.784 -0.509) 1.649 8.163 ( 0.941 0.543 -0.843) 1.375 11.314 ( 4.980 2.875 -0.291) 5.758 11.402 ( 1.734 1.001 -3.887) 4.372 11.557 ( -1.455 -0.840 -0.043) 1.681 13.045 ( -2.196 -1.268 3.539) 4.353 13.370 ( -1.992 -1.150 -1.121) 2.559 14.228 ( -1.677 -0.968 1.345) 2.358 14.313 ( 0.556 0.321 4.698) 4.742 14.384 ( -2.026 -1.170 2.695) 3.568 19.300 ( 1.673 0.966 -0.074) 1.934 20.791 ( 1.258 0.726 2.473) 2.868 21.453 ( -7.286 -4.206 4.351) 9.471 23.544 ( 10.617 6.130 -10.463) 16.117======================= Grid point 144 (46/146) =======================q-point: (-0.09 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.847 ( -22.035 -12.722 10.452) 27.507 0.866 ( -10.465 -6.042 37.724) 39.612 1.339 ( -29.278 -16.904 6.788) 34.482 1.341 ( -35.142 -20.289 5.103) 40.898 3.160 ( 1.173 0.677 4.873) 5.058 3.675 ( -6.424 -3.709 -34.228) 35.022 3.941 ( 2.968 1.713 -0.480) 3.460 3.970 ( -0.736 -0.425 -3.977) 4.067 5.197 ( 18.454 10.654 26.327) 33.870 7.863 ( 6.799 3.926 -1.389) 7.973 8.122 ( 1.195 0.690 0.987) 1.696 8.170 ( 0.519 0.299 -0.272) 0.658 11.384 ( 2.164 1.250 -3.788) 4.538 11.391 ( 3.780 2.183 0.860) 4.449 11.519 ( -0.777 -0.449 -2.211) 2.386 13.050 ( -2.488 -1.436 3.333) 4.400 13.261 ( -4.722 -2.726 -8.368) 9.988 14.239 ( 1.202 0.694 0.105) 1.392 14.358 ( -2.290 -1.322 -0.997) 2.826 14.448 ( 0.706 0.408 15.071) 15.093 19.320 ( 1.248 0.720 -0.727) 1.614 20.860 ( 0.549 0.317 5.597) 5.633 21.240 ( -9.658 -5.576 -15.248) 18.891 23.744 ( 14.332 8.274 10.641) 19.675======================= Grid point 147 (47/146) =======================q-point: ( 0.18 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.273 ( 0.000 11.885 13.223) 17.779 1.383 ( 0.000 12.731 16.216) 20.617 1.920 ( 0.000 10.189 23.578) 25.685 3.082 ( -0.000 -10.045 14.013) 17.241 3.160 ( 0.000 -0.330 20.341) 20.344 3.356 ( 0.000 4.807 3.431) 5.906 3.752 ( -0.000 -1.414 -1.260) 1.894 3.843 ( 0.000 2.260 -1.515) 2.721 4.885 ( -0.000 -3.395 -33.618) 33.789 7.730 ( -0.000 -4.002 -6.854) 7.937 8.174 ( -0.000 -0.183 -0.979) 0.996 8.189 ( 0.000 0.623 -0.461) 0.776 11.218 ( -0.000 -5.470 -4.445) 7.048 11.363 ( 0.000 3.634 -2.882) 4.638 11.532 ( -0.000 -1.128 2.358) 2.614 13.083 ( -0.000 -1.575 2.708) 3.133 13.197 ( 0.000 4.607 4.107) 6.171 14.059 ( 0.000 1.843 -3.279) 3.762 14.066 ( 0.000 1.918 -5.439) 5.767 14.670 ( 0.000 1.450 -2.067) 2.525 19.255 ( -0.000 -0.491 -1.911) 1.973 21.126 ( -0.000 -9.263 6.272) 11.187 21.348 ( 0.000 5.999 10.935) 12.473 23.843 ( -0.000 -3.960 -13.442) 14.013======================= Grid point 148 (48/146) =======================q-point: ( 0.27 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( -8.366 10.333 12.662) 18.360 1.846 ( 18.917 14.476 13.020) 27.146 2.330 ( 4.774 10.805 21.407) 24.449 3.025 ( -1.873 -12.479 1.358) 12.692 3.328 ( -9.805 -0.048 -0.035) 9.805 3.512 ( 1.525 2.355 19.775) 19.973 3.752 ( -2.189 0.290 1.909) 2.919 3.877 ( 2.949 1.240 1.429) 3.503 4.447 ( 3.596 -1.472 -30.786) 31.031 7.582 ( -2.621 -5.193 -7.652) 9.612 8.154 ( 0.510 -0.300 -2.240) 2.317 8.188 ( 1.063 0.746 -1.658) 2.106 11.111 ( -0.955 -4.804 -4.242) 6.480 11.369 ( 2.140 3.162 -2.740) 4.699 11.556 ( -1.139 -1.630 3.869) 4.350 13.083 ( -3.121 -1.024 2.749) 4.283 13.303 ( 2.656 3.726 3.566) 5.801 14.025 ( 1.602 1.496 -3.833) 4.416 14.062 ( 0.604 4.057 -0.574) 4.142 14.642 ( -0.957 2.013 -3.365) 4.036 19.227 ( -0.051 -0.492 -1.618) 1.692 21.103 ( -2.456 -9.730 3.596) 10.660 21.501 ( -5.780 5.298 11.392) 13.829 23.649 ( 5.035 -4.530 -15.730) 17.126======================= Grid point 149 (49/146) =======================q-point: ( 0.36 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( -5.407 6.659 12.820) 15.425 2.325 ( 17.299 9.872 7.631) 21.329 2.718 ( 3.345 8.955 17.666) 20.086 2.921 ( -1.255 -8.507 -0.593) 8.619 3.141 ( -12.140 0.766 -5.756) 13.457 3.631 ( -10.855 -2.138 0.058) 11.064 3.749 ( 7.779 -0.632 -0.385) 7.814 3.955 ( 2.252 1.613 2.713) 3.877 4.251 ( 6.137 1.438 -7.707) 9.956 7.407 ( -2.741 -4.928 -7.451) 9.344 8.125 ( 1.183 -0.435 -3.284) 3.517 8.182 ( 1.461 0.855 -2.685) 3.174 11.027 ( 0.902 -3.725 -3.467) 5.169 11.384 ( 2.280 2.863 -2.723) 4.562 11.581 ( -2.196 -1.870 5.136) 5.890 13.072 ( -3.379 -0.741 2.962) 4.554 13.395 ( 1.737 2.514 2.704) 4.081 14.023 ( 3.499 0.690 -2.722) 4.487 14.118 ( -0.162 5.460 3.250) 6.356 14.588 ( -1.925 2.184 -4.324) 5.212 19.207 ( 0.210 -0.315 -1.149) 1.210 21.023 ( -3.596 -8.431 0.520) 9.181 21.580 ( -10.090 2.835 12.044) 15.966 23.500 ( 10.226 -3.243 -17.618) 20.627======================= Grid point 150 (50/146) =======================q-point: (-0.55 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( -3.250 0.457 12.137) 12.573 2.396 ( -4.029 -2.361 -14.984) 15.695 2.863 ( -10.115 -0.294 0.176) 10.121 3.011 ( 1.452 3.146 12.018) 12.507 3.073 ( 11.252 9.013 3.627) 14.866 3.461 ( -4.531 -4.335 -4.041) 7.460 3.776 ( -2.727 -0.421 -0.263) 2.772 4.016 ( 1.960 -0.200 1.970) 2.786 4.327 ( 6.147 2.165 1.385) 6.662 7.269 ( 0.137 -2.919 -5.999) 6.673 8.093 ( 1.655 -0.561 -3.819) 4.199 8.168 ( 1.495 0.957 -3.223) 3.680 10.991 ( 3.492 -2.775 -2.649) 5.187 11.395 ( 1.925 2.929 -2.779) 4.473 11.606 ( -2.912 -1.898 5.736) 6.707 13.067 ( -2.970 -0.624 3.276) 4.466 13.452 ( 0.170 1.370 1.978) 2.412 14.048 ( 4.347 -0.145 -1.457) 4.587 14.214 ( -1.170 5.346 6.329) 8.367 14.517 ( -2.716 2.654 -4.636) 5.993 19.199 ( 0.660 -0.041 -0.672) 0.943 20.914 ( -3.364 -6.447 -1.831) 7.499 21.617 ( -11.426 0.595 13.043) 17.350 23.393 ( 13.324 -1.367 -19.312) 23.502======================= Grid point 151 (51/146) =======================q-point: (-0.45 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( -2.195 -13.321 -3.392) 13.920 2.066 ( -14.152 6.501 -10.536) 18.803 2.730 ( -7.107 -1.412 0.093) 7.246 3.109 ( -8.803 -0.442 8.885) 12.516 3.325 ( 2.218 -0.219 -4.175) 4.733 3.394 ( 4.712 2.823 3.297) 6.406 3.733 ( -6.219 -0.223 9.156) 11.070 4.053 ( 1.824 -2.233 1.340) 3.180 4.418 ( 8.541 3.276 -5.591) 10.721 7.227 ( 5.063 0.263 -3.655) 6.250 8.062 ( 1.998 -0.578 -3.592) 4.150 8.152 ( 1.320 1.065 -3.075) 3.511 11.003 ( 5.977 -2.133 -2.072) 6.675 11.401 ( 1.336 3.370 -3.010) 4.712 11.626 ( -3.167 -1.775 5.160) 6.310 13.073 ( -2.442 -0.690 3.554) 4.367 13.473 ( -1.343 0.389 1.465) 2.025 14.092 ( 4.445 -1.174 0.397) 4.615 14.315 ( -1.853 2.363 6.514) 7.173 14.448 ( -3.790 5.051 -2.880) 6.941 19.205 ( 1.203 0.270 -0.300) 1.269 20.810 ( -1.894 -4.343 -2.516) 5.365 21.651 ( -11.137 -0.515 14.199) 18.053 23.304 ( 14.715 0.333 -20.942) 25.597======================= Grid point 152 (52/146) =======================q-point: (-0.36 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( -6.537 -13.046 -17.441) 22.740 1.889 ( -17.742 -0.522 4.346) 18.274 2.667 ( -8.759 -0.552 3.876) 9.594 3.042 ( -12.191 -2.116 5.034) 13.359 3.133 ( -14.299 -4.480 -7.478) 16.747 3.473 ( 0.077 0.856 5.318) 5.387 3.932 ( 5.619 0.646 14.013) 15.112 4.063 ( 1.105 -3.127 0.755) 3.401 4.436 ( 10.917 5.370 -14.863) 19.207 7.301 ( 9.630 3.063 -1.559) 10.225 8.045 ( 2.238 -0.427 -2.564) 3.430 8.140 ( 1.100 1.192 -2.252) 2.775 11.053 ( 7.796 -1.899 -1.632) 8.189 11.399 ( 0.632 4.205 -3.410) 5.450 11.631 ( -2.977 -1.478 3.090) 4.538 13.086 ( -2.077 -1.040 3.697) 4.366 13.465 ( -2.370 -0.280 0.893) 2.548 14.156 ( 4.202 -2.695 3.231) 5.946 14.326 ( -1.824 -1.374 -0.848) 2.436 14.458 ( -5.454 7.431 5.164) 10.566 19.224 ( 1.724 0.549 -0.108) 1.812 20.748 ( 0.110 -2.497 -1.144) 2.749 21.693 ( -10.715 -0.848 13.458) 17.224 23.226 ( 15.348 2.053 -20.855) 25.975======================= Grid point 153 (53/146) =======================q-point: (-0.27 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.069 ( -9.627 -11.311 2.162) 15.010 1.677 ( -20.639 -5.870 4.700) 21.966 2.491 ( -23.595 -7.254 3.753) 24.968 2.731 ( -26.307 -7.520 -4.958) 27.806 3.023 ( -2.587 2.436 5.343) 6.416 3.592 ( 4.491 4.005 4.766) 7.676 3.998 ( 3.597 -8.145 -5.245) 10.334 4.121 ( -0.482 0.132 -1.289) 1.382 4.477 ( 13.298 8.346 -2.925) 15.970 7.455 ( 11.927 4.198 -0.737) 12.666 8.048 ( 2.336 -0.103 -0.943) 2.521 8.140 ( 0.919 1.333 -1.036) 1.922 11.126 ( 8.621 -1.933 -1.002) 8.892 11.391 ( 0.019 5.345 -3.759) 6.535 11.607 ( -2.513 -1.027 -0.056) 2.715 13.100 ( -1.951 -1.757 3.698) 4.535 13.432 ( -2.849 -0.499 -0.502) 2.936 14.242 ( 4.242 -4.306 4.563) 7.574 14.281 ( -2.351 -1.191 1.283) 2.931 14.499 ( -6.212 4.649 4.840) 9.145 19.252 ( 2.044 0.693 -0.186) 2.167 20.750 ( 1.798 -1.453 1.886) 2.984 21.683 ( -10.493 -1.840 5.016) 11.775 23.210 ( 15.311 5.159 -13.323) 20.941======================= Grid point 154 (54/146) =======================q-point: (-0.18 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( -8.397 -11.066 28.419) 31.632 1.436 ( -22.338 -6.153 8.499) 24.680 2.121 ( -30.509 -10.016 3.943) 32.352 2.260 ( -34.222 -5.676 0.341) 34.691 3.105 ( 1.655 -0.347 5.045) 5.321 3.679 ( 3.684 0.390 -12.945) 13.465 3.867 ( 3.058 -1.260 -6.964) 7.709 4.014 ( -1.712 0.614 -7.475) 7.693 4.803 ( 14.354 7.238 13.842) 21.214 7.623 ( 11.679 3.516 -1.373) 12.273 8.077 ( 2.225 0.325 0.824) 2.394 8.155 ( 0.703 1.456 0.096) 1.619 11.212 ( 8.259 -1.642 -0.406) 8.430 11.384 ( -0.139 6.296 -3.425) 7.168 11.553 ( -1.923 -0.571 -2.651) 3.325 13.105 ( -1.927 -3.087 3.425) 4.997 13.365 ( -3.880 -0.325 -3.122) 4.991 14.237 ( -0.417 0.080 -1.410) 1.473 14.359 ( 2.344 -6.315 7.836) 10.333 14.501 ( -5.319 0.691 5.370) 7.590 19.278 ( 1.999 0.629 -0.596) 2.179 20.816 ( 2.630 -1.894 5.468) 6.356 21.490 ( -10.666 -4.256 -10.771) 15.744 23.385 ( 15.052 10.444 2.448) 18.484======================= Grid point 155 (55/146) =======================q-point: (-0.09 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( -17.151 -14.473 11.564) 25.246 1.424 ( -15.810 -6.298 27.328) 32.194 1.746 ( -29.700 -6.843 10.082) 32.103 1.887 ( -32.139 3.179 17.850) 36.900 3.150 ( 2.243 -8.746 0.328) 9.035 3.386 ( -3.462 1.511 -18.112) 18.502 3.903 ( 0.521 -0.284 -4.242) 4.284 3.929 ( 1.672 4.057 -2.519) 5.060 5.235 ( 19.040 7.893 7.665) 21.991 7.751 ( 9.631 1.738 -2.798) 10.178 8.125 ( 1.706 0.473 1.844) 2.556 8.177 ( 0.097 1.492 0.652) 1.631 11.280 ( 5.643 0.186 -2.896) 6.345 11.405 ( 1.400 4.936 -0.178) 5.134 11.495 ( -0.829 0.124 -2.626) 2.756 13.086 ( -1.850 -6.062 1.792) 6.586 13.253 ( -6.495 1.205 -3.246) 7.360 14.217 ( 0.109 0.759 -2.306) 2.430 14.350 ( -2.653 -2.534 -2.595) 4.493 14.577 ( 1.696 -6.208 10.483) 12.301 19.293 ( 1.604 0.422 -1.158) 2.023 20.918 ( 2.322 -4.550 7.922) 9.426 21.147 ( -9.552 -3.522 -12.250) 15.928 23.755 ( 15.147 13.141 7.727) 21.490======================= Grid point 159 (56/146) =======================q-point: ( 0.27 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( 0.000 10.196 9.191) 13.727 1.968 ( 0.000 13.825 13.330) 19.205 2.665 ( 0.000 11.429 20.811) 23.743 2.945 ( -0.000 -10.885 -2.002) 11.067 3.398 ( -0.000 -2.343 -0.643) 2.430 3.549 ( -0.000 -4.533 -9.657) 10.668 3.878 ( 0.000 5.663 6.997) 9.002 3.924 ( 0.000 1.773 4.894) 5.206 4.082 ( -0.000 -0.425 -12.061) 12.069 7.447 ( -0.000 -6.422 -8.555) 10.697 8.107 ( -0.000 -0.740 -3.514) 3.591 8.162 ( 0.000 0.962 -2.387) 2.574 11.015 ( -0.000 -5.882 -4.458) 7.381 11.352 ( 0.000 4.231 -2.279) 4.805 11.611 ( -0.000 -2.276 5.507) 5.959 13.125 ( -0.000 -1.606 2.183) 2.711 13.365 ( 0.000 4.273 3.545) 5.552 13.976 ( 0.000 1.170 -3.058) 3.274 14.122 ( 0.000 6.221 3.904) 7.345 14.615 ( 0.000 3.646 -4.837) 6.058 19.204 ( -0.000 -0.498 -1.325) 1.415 21.071 ( -0.000 -11.546 1.403) 11.630 21.734 ( 0.000 8.424 9.997) 13.073 23.344 ( -0.000 -8.171 -17.536) 19.347======================= Grid point 160 (57/146) =======================q-point: ( 0.36 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( -6.006 2.133 6.930) 9.415 2.300 ( 9.010 9.204 6.614) 14.479 2.838 ( 1.971 0.475 -6.761) 7.059 3.006 ( 0.271 9.472 18.123) 20.451 3.177 ( -10.639 -4.148 -11.086) 15.915 3.439 ( 6.204 -4.855 -8.390) 11.509 3.902 ( -6.820 2.464 5.522) 9.115 3.987 ( -0.591 1.389 4.358) 4.612 4.166 ( 7.359 1.174 3.926) 8.423 7.282 ( -0.595 -6.203 -8.429) 10.482 8.056 ( 0.922 -0.949 -4.064) 4.274 8.139 ( 0.653 1.111 -2.862) 3.139 10.926 ( 1.422 -5.344 -3.951) 6.796 11.361 ( 0.747 4.372 -2.221) 4.960 11.662 ( -1.269 -2.551 6.174) 6.800 13.129 ( -1.534 -1.596 2.210) 3.128 13.440 ( 0.476 3.427 2.820) 4.463 13.964 ( 1.911 0.196 -1.456) 2.410 14.242 ( -0.704 6.559 7.385) 9.902 14.572 ( -1.307 5.337 -5.238) 7.591 19.187 ( 0.236 -0.344 -0.927) 1.016 20.980 ( -1.524 -10.845 -1.056) 11.003 21.872 ( -6.925 7.665 9.075) 13.750 23.098 ( 7.875 -8.089 -18.369) 21.561======================= Grid point 161 (58/146) =======================q-point: (-0.55 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.782 ( -2.260 -11.000 -5.127) 12.344 2.344 ( -7.847 7.890 -3.850) 11.775 2.887 ( 1.530 -2.347 -6.951) 7.494 3.025 ( 6.385 9.559 5.077) 12.567 3.253 ( -2.034 3.477 12.015) 12.672 3.382 ( -0.267 -1.292 -1.277) 1.836 3.915 ( -5.034 0.076 5.456) 7.424 4.026 ( -1.216 -0.949 3.313) 3.655 4.275 ( 4.315 0.911 -0.253) 4.417 7.145 ( 1.689 -4.132 -6.985) 8.290 8.013 ( 1.646 -0.997 -3.820) 4.278 8.121 ( 0.986 1.249 -2.807) 3.226 10.876 ( 3.722 -4.436 -3.162) 6.598 11.373 ( 0.846 4.493 -2.392) 5.160 11.698 ( -2.263 -2.438 5.410) 6.351 13.127 ( -1.685 -1.569 2.513) 3.408 13.494 ( -0.387 2.280 2.052) 3.091 13.987 ( 3.367 -1.163 0.336) 3.578 14.363 ( -1.606 2.235 6.651) 7.198 14.542 ( -3.184 9.708 -1.798) 10.373 19.181 ( 0.648 -0.108 -0.571) 0.871 20.860 ( -1.773 -8.858 -2.647) 9.413 21.926 ( -9.877 4.828 9.450) 14.497 22.941 ( 12.908 -4.967 -19.166) 23.635======================= Grid point 162 (59/146) =======================q-point: (-0.45 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( -3.286 -14.330 -13.370) 19.872 2.264 ( -11.934 3.654 2.636) 12.757 2.804 ( -3.305 0.932 1.409) 3.712 3.225 ( 3.113 -0.309 -2.043) 3.736 3.364 ( 1.066 5.607 6.299) 8.500 3.395 ( -3.439 2.716 5.398) 6.953 3.912 ( -4.004 -2.789 4.731) 6.796 4.043 ( -0.802 -1.670 3.934) 4.349 4.280 ( 2.420 0.693 -6.183) 6.676 7.099 ( 6.126 -0.782 -4.592) 7.696 7.987 ( 2.131 -0.804 -2.754) 3.574 8.111 ( 1.108 1.386 -2.169) 2.803 10.873 ( 5.955 -3.492 -2.226) 7.253 11.383 ( 0.654 4.825 -2.798) 5.616 11.707 ( -2.818 -2.009 3.146) 4.677 13.131 ( -1.414 -1.759 2.864) 3.646 13.516 ( -1.581 1.206 1.217) 2.332 14.040 ( 4.384 -2.798 2.531) 5.784 14.378 ( -1.983 -0.919 0.070) 2.187 14.604 ( -5.597 10.788 6.278) 13.679 19.187 ( 1.161 0.152 -0.340) 1.219 20.754 ( -0.557 -6.292 -2.204) 6.690 21.958 ( -9.682 2.577 10.174) 14.279 22.838 ( 14.542 -1.121 -19.759) 24.559======================= Grid point 163 (60/146) =======================q-point: (-0.36 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.254 ( -5.222 -12.161 1.220) 13.291 2.129 ( -14.845 -3.887 3.189) 15.673 2.838 ( -5.137 4.563 5.905) 9.059 3.144 ( -5.359 -1.529 -5.479) 7.815 3.293 ( -16.104 -1.616 4.771) 16.874 3.538 ( 2.341 4.866 3.190) 6.272 3.882 ( 2.343 -9.033 -2.840) 9.755 4.124 ( 0.301 0.437 4.477) 4.509 4.221 ( 4.903 3.882 -4.966) 7.985 7.165 ( 10.395 2.126 -2.468) 10.893 7.986 ( 2.429 -0.346 -1.073) 2.678 8.114 ( 1.119 1.535 -1.103) 2.197 10.915 ( 7.592 -2.538 -1.104) 8.081 11.387 ( 0.353 5.368 -3.349) 6.337 11.678 ( -2.963 -1.383 -0.027) 3.270 13.139 ( -1.205 -2.277 3.136) 4.058 13.504 ( -2.628 0.406 0.149) 2.663 14.121 ( 4.972 -4.375 4.585) 8.055 14.341 ( -2.312 -0.823 0.093) 2.456 14.674 ( -7.242 6.349 6.332) 11.526 19.203 ( 1.672 0.375 -0.275) 1.736 20.709 ( 1.360 -3.899 0.434) 4.153 21.953 ( -10.266 0.263 4.555) 11.234 22.805 ( 15.930 4.015 -14.010) 21.591======================= Grid point 164 (61/146) =======================q-point: (-0.27 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.265 ( -5.437 -10.189 22.203) 25.027 1.944 ( -17.514 -4.951 5.915) 19.137 2.774 ( -18.152 -4.579 2.850) 18.936 2.948 ( -16.995 1.721 -2.034) 17.203 3.156 ( -8.489 -0.572 3.198) 9.090 3.613 ( -0.510 1.128 -0.951) 1.561 3.769 ( 4.359 -5.069 -7.835) 10.299 4.037 ( -0.390 -0.831 -9.028) 9.074 4.459 ( 12.138 5.683 10.010) 16.728 7.308 ( 12.575 3.176 -1.678) 13.078 8.016 ( 2.545 0.314 0.788) 2.683 8.133 ( 1.052 1.697 0.056) 1.997 10.996 ( 8.403 -1.404 0.030) 8.519 11.384 ( 0.159 5.906 -3.680) 6.960 11.614 ( -2.780 -0.753 -2.823) 4.033 13.146 ( -1.262 -3.280 3.114) 4.695 13.460 ( -3.549 0.028 -1.096) 3.714 14.205 ( 3.677 -3.477 2.978) 5.872 14.327 ( -0.772 -3.144 3.910) 5.076 14.671 ( -7.716 0.796 3.876) 8.672 19.226 ( 1.997 0.478 -0.430) 2.098 20.743 ( 2.944 -2.811 4.103) 5.780 21.774 ( -11.387 -2.954 -9.560) 15.158 22.978 ( 16.776 10.961 0.413) 20.043======================= Grid point 165 (62/146) =======================q-point: (-0.18 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.436 ( -7.013 -11.483 20.218) 24.286 1.828 ( -17.238 -3.551 19.023) 25.916 2.466 ( -25.287 -6.077 2.622) 26.139 2.692 ( -27.104 4.064 4.318) 27.745 3.135 ( -2.015 -4.748 3.020) 5.977 3.421 ( -1.570 -4.384 -15.779) 16.452 3.829 ( 4.283 6.613 0.480) 7.893 3.915 ( 0.517 -2.353 -7.671) 8.041 4.798 ( 16.004 6.127 6.732) 18.411 7.464 ( 12.428 2.353 -2.250) 12.847 8.072 ( 2.385 0.940 2.150) 3.345 8.164 ( 0.831 1.849 0.893) 2.215 11.099 ( 8.074 0.090 -0.073) 8.075 11.386 ( 0.436 5.808 -2.832) 6.476 11.534 ( -2.120 -0.159 -3.719) 4.284 13.133 ( -1.729 -5.163 2.171) 5.861 13.390 ( -4.604 0.393 -1.690) 4.920 14.222 ( 0.015 -0.096 -1.042) 1.046 14.370 ( 1.273 -5.500 4.048) 6.946 14.614 ( -5.146 -5.613 4.406) 8.798 19.247 ( 1.965 0.445 -0.792) 2.165 20.838 ( 3.670 -3.945 7.271) 9.050 21.420 ( -11.802 -4.133 -15.578) 19.976 23.356 ( 16.653 15.870 7.785) 24.286======================= Grid point 166 (63/146) =======================q-point: (-0.09 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( -14.513 -12.471 6.716) 20.279 1.909 ( -17.152 -3.764 20.658) 27.113 2.202 ( -24.669 -2.607 11.086) 27.170 2.548 ( -22.089 10.629 19.492) 31.318 3.039 ( -2.876 -9.637 -3.225) 10.561 3.261 ( 1.705 -0.285 -5.605) 5.865 3.805 ( 1.363 -4.113 -6.010) 7.409 3.924 ( 2.084 6.931 -1.424) 7.377 5.075 ( 16.345 5.493 -4.445) 17.807 7.585 ( 10.759 0.566 -3.475) 11.321 8.136 ( 1.643 1.007 2.164) 2.898 8.200 ( 0.281 1.932 1.102) 2.242 11.173 ( 5.514 1.224 -3.358) 6.571 11.419 ( 1.814 4.076 0.373) 4.477 11.476 ( -0.732 0.912 -2.449) 2.714 13.074 ( -2.605 -7.134 0.033) 7.595 13.322 ( -4.989 1.552 0.107) 5.226 14.192 ( -0.870 0.099 -2.784) 2.918 14.327 ( -3.115 -2.805 -3.166) 5.253 14.614 ( 0.811 -8.791 6.837) 11.166 19.259 ( 1.607 0.331 -1.184) 2.024 20.942 ( 2.115 -7.310 6.933) 10.294 21.104 ( -6.202 -1.667 -7.013) 9.509 23.758 ( 13.317 15.592 4.236) 20.937======================= Grid point 171 (64/146) =======================q-point: ( 0.36 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( -0.000 -11.236 -8.154) 13.883 2.458 ( 0.000 11.853 9.487) 15.182 2.712 ( 0.000 6.633 -11.644) 13.400 3.078 ( -0.000 -2.877 -4.341) 5.208 3.259 ( 0.000 0.502 8.541) 8.556 3.382 ( 0.000 4.503 7.393) 8.657 3.952 ( -0.000 -2.380 1.186) 2.659 4.146 ( -0.000 -1.356 2.971) 3.266 4.149 ( 0.000 5.035 6.196) 7.984 7.126 ( -0.000 -6.017 -8.357) 10.298 7.991 ( -0.000 -0.990 -3.812) 3.939 8.107 ( 0.000 1.274 -2.663) 2.952 10.828 ( -0.000 -5.105 -3.470) 6.173 11.362 ( 0.000 4.800 -2.176) 5.271 11.729 ( -0.000 -2.803 5.514) 6.186 13.150 ( -0.000 -2.196 1.970) 2.950 13.498 ( 0.000 3.281 2.306) 4.010 13.942 ( -0.000 -0.834 0.248) 0.870 14.385 ( 0.000 1.862 6.576) 6.834 14.586 ( 0.000 11.587 -1.355) 11.666 19.173 ( -0.000 -0.232 -0.647) 0.687 20.885 ( -0.000 -10.893 -2.536) 11.184 22.077 ( 0.000 9.629 5.444) 11.061 22.747 ( -0.000 -9.561 -16.534) 19.099======================= Grid point 172 (65/146) =======================q-point: (-0.55 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.563 ( -1.272 -14.339 -12.334) 18.956 2.516 ( -8.866 4.568 0.734) 10.000 2.748 ( 8.295 2.411 -0.104) 8.639 3.109 ( 1.166 9.347 3.875) 10.185 3.269 ( 1.558 -3.678 -0.678) 4.051 3.571 ( -3.684 5.935 12.447) 14.273 3.937 ( 0.501 -5.449 0.282) 5.479 4.133 ( -3.448 0.042 2.417) 4.211 4.252 ( 0.606 1.985 1.461) 2.539 6.998 ( 1.925 -3.858 -6.886) 8.125 7.947 ( 0.895 -0.764 -2.717) 2.961 8.089 ( 0.481 1.411 -2.044) 2.530 10.768 ( 2.166 -4.077 -2.442) 5.223 11.370 ( 0.317 4.904 -2.445) 5.489 11.760 ( -1.171 -2.531 3.229) 4.267 13.156 ( -0.538 -2.438 2.227) 3.345 13.541 ( -0.455 2.424 1.463) 2.867 13.958 ( 1.801 -2.206 2.147) 3.567 14.415 ( -0.784 -0.804 0.088) 1.126 14.712 ( -2.448 12.638 6.963) 14.635 19.168 ( 0.384 -0.056 -0.425) 0.575 20.769 ( -0.444 -9.144 -2.853) 9.589 22.157 ( -5.443 7.242 3.766) 9.810 22.542 ( 7.695 -5.415 -14.748) 17.494======================= Grid point 173 (66/146) =======================q-point: (-0.45 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( -2.426 -12.348 0.532) 12.595 2.422 ( -8.390 -3.258 1.419) 9.111 2.866 ( 2.807 6.358 3.380) 7.729 3.166 ( -0.378 -2.538 -2.338) 3.472 3.366 ( 7.527 9.498 3.114) 12.512 3.644 ( -10.101 0.557 7.632) 12.672 3.889 ( 0.568 -7.794 -1.315) 7.924 4.132 ( -1.006 0.374 1.622) 1.945 4.235 ( -3.990 0.485 -1.022) 4.148 6.956 ( 5.827 -0.331 -4.401) 7.310 7.934 ( 1.581 -0.297 -1.035) 1.913 8.088 ( 0.833 1.546 -1.102) 2.074 10.761 ( 4.350 -2.738 -1.105) 5.257 11.376 ( 0.406 5.043 -2.937) 5.850 11.745 ( -2.053 -1.861 0.028) 2.771 13.162 ( -0.598 -2.696 2.644) 3.823 13.556 ( -1.401 1.353 0.422) 1.992 14.011 ( 3.365 -3.714 4.215) 6.549 14.390 ( -1.429 -0.441 -0.527) 1.586 14.838 ( -5.186 7.573 7.327) 11.744 19.171 ( 0.853 0.138 -0.308) 0.917 20.685 ( 0.520 -6.142 -0.914) 6.232 22.170 ( -6.379 2.303 3.112) 7.462 22.457 ( 10.675 2.549 -13.227) 17.187======================= Grid point 174 (67/146) =======================q-point: (-0.36 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.365 ( -2.727 -9.495 18.427) 20.908 2.307 ( -11.082 -3.884 4.488) 12.571 2.989 ( -0.786 6.365 4.294) 7.718 3.079 ( -0.055 -3.361 -5.936) 6.822 3.523 ( -12.143 -2.959 2.031) 12.662 3.564 ( 3.172 6.930 2.513) 8.025 3.791 ( -3.030 -8.812 -2.765) 9.720 4.073 ( -3.405 -1.611 -7.005) 7.953 4.254 ( 2.898 2.423 6.007) 7.096 7.022 ( 9.511 2.669 -2.198) 10.120 7.956 ( 2.075 0.375 0.823) 2.264 8.104 ( 1.096 1.702 -0.062) 2.025 10.808 ( 6.136 -1.279 0.309) 6.276 11.377 ( 0.388 5.292 -3.451) 6.330 11.685 ( -2.575 -1.069 -2.917) 4.035 13.169 ( -0.663 -3.239 2.935) 4.420 13.537 ( -2.405 0.429 -0.601) 2.516 14.094 ( 4.305 -4.817 5.634) 8.572 14.364 ( -1.600 -0.870 0.339) 1.853 14.868 ( -7.359 1.062 4.484) 8.683 19.183 ( 1.327 0.313 -0.302) 1.396 20.678 ( 2.047 -3.364 2.637) 4.739 22.037 ( -8.920 -1.586 -9.178) 12.897 22.575 ( 14.239 10.449 0.016) 17.662======================= Grid point 175 (68/146) =======================q-point: (-0.27 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( -2.818 -8.938 21.479) 23.435 2.229 ( -13.680 -2.172 12.347) 18.555 2.900 ( -8.493 -5.396 -3.235) 10.569 3.085 ( -1.829 5.552 0.067) 5.846 3.308 ( -14.054 -4.770 0.101) 14.842 3.598 ( -9.149 -8.734 -4.281) 13.353 3.711 ( 3.855 7.804 1.961) 8.922 3.912 ( -1.792 -3.084 -8.483) 9.202 4.444 ( 11.102 3.460 4.727) 12.553 7.158 ( 11.215 3.693 -1.344) 11.883 8.011 ( 2.360 1.118 2.317) 3.491 8.137 ( 1.240 1.890 0.781) 2.392 10.900 ( 7.216 0.231 1.193) 7.318 11.375 ( 0.460 5.464 -3.466) 6.486 11.596 ( -2.623 -0.395 -4.432) 5.165 13.169 ( -1.105 -4.355 2.688) 5.236 13.489 ( -3.245 -0.061 -1.263) 3.482 14.181 ( 3.316 -3.854 4.290) 6.653 14.350 ( -0.396 -2.974 1.733) 3.465 14.793 ( -8.120 -4.911 1.903) 9.678 19.200 ( 1.636 0.431 -0.415) 1.741 20.748 ( 3.174 -2.598 5.915) 7.198 21.721 ( -11.667 -2.530 -15.524) 19.584 22.926 ( 16.960 15.554 7.393) 24.171======================= Grid point 176 (69/146) =======================q-point: (-0.18 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.623 ( -6.669 -9.827 8.022) 14.332 2.272 ( -12.848 -3.896 21.235) 25.123 2.712 ( -13.602 -3.721 2.875) 14.392 2.989 ( -11.778 0.118 -1.936) 11.936 3.209 ( -2.869 0.619 2.298) 3.727 3.346 ( -14.957 -4.069 -1.217) 15.548 3.756 ( 1.948 -6.881 -5.835) 9.229 3.851 ( 3.121 9.022 -1.209) 9.623 4.668 ( 15.244 3.722 -1.458) 15.760 7.304 ( 10.889 2.856 -1.801) 11.400 8.085 ( 2.241 1.601 2.788) 3.919 8.181 ( 1.152 2.095 1.173) 2.663 11.010 ( 6.885 1.602 0.130) 7.070 11.385 ( 1.012 4.969 -1.883) 5.410 11.509 ( -1.868 0.320 -3.930) 4.363 13.138 ( -2.276 -6.213 1.273) 6.738 13.430 ( -3.577 0.206 -0.853) 3.683 14.210 ( -0.177 -0.911 -0.378) 1.003 14.355 ( 0.953 -5.300 1.892) 5.708 14.674 ( -5.869 -8.619 2.612) 10.750 19.217 ( 1.621 0.484 -0.626) 1.804 20.859 ( 3.587 -4.380 7.824) 9.657 21.345 ( -11.786 -2.504 -14.518) 18.867 23.374 ( 16.782 18.304 7.714) 26.004======================= Grid point 177 (70/146) =======================q-point: (-0.09 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( -10.547 -10.560 2.058) 15.066 2.322 ( -13.388 -1.252 14.761) 19.968 2.589 ( -17.032 -3.731 10.416) 20.310 2.853 ( -3.770 -0.659 -2.295) 4.463 3.169 ( -3.092 -1.273 -2.530) 4.193 3.256 ( -12.636 2.860 15.657) 20.322 3.672 ( 2.294 -4.974 -2.857) 6.178 3.932 ( 2.038 6.910 -1.320) 7.324 4.803 ( 14.437 2.679 -11.561) 18.688 7.417 ( 9.385 1.072 -2.964) 9.900 8.152 ( 1.423 1.420 1.738) 2.657 8.223 ( 0.645 2.190 0.963) 2.478 11.080 ( 4.453 2.033 -2.763) 5.621 11.429 ( 1.851 2.570 0.950) 3.306 11.463 ( -0.192 2.079 -2.188) 3.024 13.056 ( -3.166 -7.149 -0.296) 7.824 13.389 ( -3.177 0.744 0.703) 3.338 14.168 ( -1.617 -1.269 -2.471) 3.214 14.311 ( -2.920 -2.311 -2.170) 4.310 14.618 ( -0.469 -8.711 4.096) 9.638 19.230 ( 1.294 0.451 -0.855) 1.615 20.945 ( 0.462 -6.893 4.191) 8.080 21.088 ( -3.240 -1.624 -2.938) 4.665 23.758 ( 11.665 16.668 1.982) 20.441======================= Grid point 183 (71/146) =======================q-point: ( 0.45 -0.55 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( -0.000 -12.370 0.236) 12.373 2.540 ( -0.000 -5.238 -1.232) 5.381 2.791 ( 0.000 7.995 4.620) 9.234 3.204 ( -0.000 -4.831 -2.205) 5.310 3.246 ( 0.000 12.791 5.070) 13.759 3.774 ( 0.000 2.069 9.128) 9.359 3.872 ( -0.000 -8.357 -1.601) 8.509 4.145 ( -0.000 -0.243 -1.127) 1.153 4.302 ( 0.000 1.555 1.810) 2.386 6.881 ( -0.000 -1.522 -5.300) 5.514 7.913 ( -0.000 -0.236 -0.992) 1.020 8.077 ( 0.000 1.542 -1.090) 1.888 10.705 ( -0.000 -2.826 -1.112) 3.037 11.370 ( 0.000 4.913 -2.760) 5.635 11.772 ( -0.000 -2.108 0.060) 2.109 13.170 ( -0.000 -2.897 2.463) 3.803 13.574 ( 0.000 1.849 0.469) 1.907 13.966 ( -0.000 -3.419 4.044) 5.295 14.409 ( -0.000 -0.274 -0.745) 0.794 14.908 ( 0.000 8.107 7.700) 11.181 19.160 ( -0.000 0.059 -0.309) 0.314 20.679 ( -0.000 -7.171 -1.479) 7.322 22.257 ( 0.000 8.501 -2.467) 8.852 22.311 ( -0.000 -3.387 -7.858) 8.557======================= Grid point 185 (72/146) =======================q-point: (-0.45 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.412 ( -0.995 -9.052 16.882) 19.182 2.497 ( -3.879 -3.248 3.835) 6.348 2.902 ( 3.456 4.731 1.450) 6.036 3.126 ( -1.652 -3.604 -2.661) 4.775 3.423 ( 3.208 10.287 4.401) 11.640 3.774 ( -0.994 -7.875 -2.554) 8.338 3.821 ( -3.780 -5.138 2.718) 6.934 4.123 ( -0.319 0.327 -2.428) 2.470 4.300 ( -3.112 0.138 0.662) 3.184 6.853 ( 3.527 2.177 -2.643) 4.915 7.918 ( 0.812 0.427 0.867) 1.263 8.083 ( 0.469 1.672 -0.144) 1.742 10.700 ( 2.242 -1.259 0.448) 2.610 11.368 ( 0.200 4.903 -3.194) 5.855 11.733 ( -1.052 -1.371 -2.955) 3.424 13.181 ( -0.222 -3.249 2.871) 4.341 13.578 ( -0.803 0.894 -0.614) 1.349 14.013 ( 1.793 -4.671 5.829) 7.682 14.395 ( -0.667 -0.202 -0.536) 0.879 15.009 ( -3.161 1.374 5.133) 6.183 19.160 ( 0.427 0.210 -0.231) 0.529 20.643 ( 0.700 -3.785 1.716) 4.214 22.203 ( -4.089 0.818 -7.275) 8.386 22.306 ( 6.457 8.414 -1.773) 10.753======================= Grid point 186 (73/146) =======================q-point: (-0.36 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( -1.613 -7.436 21.151) 22.478 2.502 ( -7.902 -0.331 10.368) 13.040 2.952 ( 3.778 -2.795 -4.022) 6.185 3.078 ( -1.319 2.816 1.091) 3.296 3.548 ( 2.802 -2.733 0.808) 3.996 3.657 ( -7.298 -3.496 -1.674) 8.263 3.725 ( -0.880 -4.075 -2.198) 4.713 4.046 ( -4.857 -1.172 -5.093) 7.135 4.289 ( 0.831 0.585 1.172) 1.552 6.927 ( 6.562 5.182 -0.336) 8.368 7.960 ( 1.502 1.140 2.389) 3.044 8.108 ( 0.937 1.830 0.586) 2.138 10.753 ( 4.185 0.314 1.832) 4.579 11.364 ( 0.363 4.978 -3.473) 6.081 11.655 ( -1.812 -0.619 -4.809) 5.176 13.190 ( -0.538 -3.842 3.086) 4.957 13.551 ( -1.641 -0.028 -1.460) 2.197 14.091 ( 3.100 -5.535 6.820) 9.315 14.373 ( -0.970 -0.850 -0.775) 1.505 14.983 ( -6.088 -5.030 2.275) 8.218 19.168 ( 0.838 0.387 -0.173) 0.939 20.686 ( 1.717 -1.397 4.965) 5.436 21.991 ( -9.579 0.981 -12.607) 15.864 22.533 ( 13.581 12.719 4.828) 19.223======================= Grid point 187 (74/146) =======================q-point: (-0.27 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( -3.565 -7.746 11.520) 14.332 2.549 ( -8.762 -2.799 13.119) 16.022 2.900 ( -3.015 -2.477 1.460) 4.166 3.128 ( -0.292 3.520 1.269) 3.753 3.396 ( -9.283 -7.591 -3.548) 12.506 3.538 ( 0.868 -11.931 -2.616) 12.246 3.761 ( 0.960 7.847 0.303) 7.911 3.870 ( -7.730 -1.670 -5.303) 9.521 4.360 ( 8.047 1.462 -1.061) 8.247 7.065 ( 7.634 6.108 0.543) 9.792 8.030 ( 1.971 1.757 3.115) 4.084 8.147 ( 1.343 2.039 0.944) 2.617 10.851 ( 5.353 1.712 2.304) 6.074 11.363 ( 0.706 4.969 -2.980) 5.837 11.562 ( -2.035 -0.000 -4.997) 5.395 13.185 ( -1.412 -5.041 2.604) 5.847 13.503 ( -2.155 -0.527 -1.764) 2.835 14.176 ( 2.726 -4.826 5.508) 7.814 14.339 ( -0.281 -2.887 -0.766) 3.000 14.861 ( -7.760 -8.611 1.064) 11.640 19.182 ( 1.107 0.565 -0.150) 1.252 20.781 ( 2.422 -1.550 6.805) 7.387 21.664 ( -13.011 -0.256 -15.063) 19.906 22.934 ( 17.541 17.503 8.173) 26.093======================= Grid point 188 (75/146) =======================q-point: (-0.18 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.694 ( -6.543 -9.140 1.623) 11.357 2.560 ( -5.608 -4.782 7.839) 10.760 2.882 ( -7.934 -3.625 7.707) 11.640 3.038 ( -8.171 -6.408 -4.019) 11.134 3.280 ( -6.969 0.916 2.026) 7.315 3.439 ( 1.827 -8.405 -3.314) 9.217 3.719 ( -5.826 0.955 4.323) 7.318 3.868 ( 2.295 8.587 -0.850) 8.929 4.453 ( 11.661 0.882 -6.330) 13.297 7.205 ( 6.945 5.182 0.070) 8.665 8.108 ( 1.905 1.980 2.545) 3.745 8.194 ( 1.524 2.281 0.922) 2.894 10.957 ( 4.904 2.722 0.892) 5.680 11.385 ( 1.567 4.353 -0.832) 4.700 11.483 ( -1.370 0.711 -3.732) 4.038 13.138 ( -3.066 -6.725 0.976) 7.455 13.453 ( -1.912 -0.380 -0.987) 2.186 14.201 ( -0.685 -2.205 -0.217) 2.319 14.324 ( 1.485 -5.426 1.953) 5.955 14.715 ( -6.851 -8.824 1.326) 11.250 19.199 ( 1.099 0.702 -0.195) 1.318 20.889 ( 2.638 -3.891 7.340) 8.717 21.305 ( -12.186 -0.934 -13.052) 17.881 23.395 ( 16.691 19.389 6.674) 26.439======================= Grid point 189 (76/146) =======================q-point: (-0.09 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( -7.035 -9.830 0.073) 12.088 2.569 ( -4.050 -0.078 5.614) 6.923 2.823 ( -8.395 -7.431 5.773) 12.610 2.858 ( -5.473 -4.586 -1.708) 7.342 3.178 ( -7.622 -4.229 0.011) 8.716 3.371 ( 3.307 -5.944 -3.624) 7.707 3.838 ( -5.421 9.254 14.366) 17.927 3.938 ( 1.891 6.740 -1.250) 7.111 4.478 ( 10.534 -0.646 -11.879) 15.890 7.308 ( 5.385 3.290 -1.187) 6.421 8.163 ( 1.149 1.659 0.666) 2.125 8.238 ( 1.078 2.273 0.378) 2.544 11.025 ( 2.874 2.958 -1.066) 4.260 11.435 ( 0.829 0.563 0.799) 1.282 11.454 ( 1.313 3.707 -1.215) 4.116 13.044 ( -3.700 -7.005 -0.149) 7.924 13.427 ( -1.309 -0.175 0.314) 1.358 14.153 ( -1.752 -2.418 -1.008) 3.152 14.308 ( -1.989 -2.166 -0.719) 3.027 14.612 ( -2.578 -7.522 1.389) 8.072 19.213 ( 0.787 0.714 -0.308) 1.106 20.943 ( -1.593 -5.414 1.373) 5.808 21.082 ( -1.714 -2.025 -0.735) 2.753 23.758 ( 10.513 17.199 0.568) 20.165======================= Grid point 196 (77/146) =======================q-point: (-0.45 0.55 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.626 ( -0.000 -6.820 21.402) 22.463 2.613 ( 0.000 1.886 11.697) 11.849 2.873 ( -0.000 -3.535 -3.312) 4.844 3.099 ( 0.000 1.506 -1.137) 1.887 3.500 ( -0.000 -2.353 2.576) 3.489 3.687 ( -0.000 -0.111 -2.417) 2.420 3.803 ( -0.000 -9.844 -2.530) 10.164 4.090 ( -0.000 1.120 -4.100) 4.250 4.310 ( -0.000 -1.793 -1.169) 2.140 6.843 ( 0.000 5.881 0.148) 5.882 7.940 ( 0.000 1.126 2.408) 2.658 8.096 ( 0.000 1.791 0.494) 1.858 10.699 ( 0.000 0.342 2.049) 2.077 11.359 ( 0.000 4.771 -3.423) 5.872 11.679 ( -0.000 -0.730 -4.922) 4.976 13.197 ( -0.000 -3.679 3.239) 4.902 13.572 ( -0.000 0.086 -1.610) 1.612 14.049 ( -0.000 -5.698 7.141) 9.136 14.386 ( -0.000 -0.383 -1.270) 1.327 15.065 ( -0.000 -5.110 2.619) 5.742 19.158 ( 0.000 0.361 -0.095) 0.373 20.664 ( 0.000 -0.919 4.658) 4.748 22.182 ( 0.000 5.553 -10.933) 12.263 22.287 ( 0.000 8.354 3.331) 8.993======================= Grid point 198 (78/146) =======================q-point: (-0.36 0.55 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( -1.993 -6.011 15.260) 16.522 2.718 ( -4.794 -5.485 1.123) 7.371 2.886 ( 3.185 3.030 11.820) 12.611 3.120 ( 0.256 3.933 1.010) 4.068 3.426 ( 1.747 -15.135 -2.700) 15.473 3.627 ( -3.852 -13.687 -5.959) 15.417 3.736 ( 0.527 9.574 0.731) 9.616 4.014 ( -2.675 0.145 -6.629) 7.150 4.264 ( 0.819 -2.694 -2.502) 3.766 6.934 ( 2.639 8.676 2.417) 9.385 7.994 ( 0.797 1.705 3.226) 3.735 8.121 ( 0.591 1.932 0.709) 2.142 10.756 ( 1.978 1.758 3.316) 4.242 11.350 ( 0.281 4.740 -3.369) 5.822 11.601 ( -0.865 -0.122 -5.474) 5.543 13.209 ( -0.490 -4.316 3.367) 5.496 13.538 ( -0.705 -0.748 -2.345) 2.560 14.113 ( 1.573 -6.426 7.731) 10.175 14.352 ( -0.433 -1.334 -2.546) 2.907 15.014 ( -3.506 -9.134 1.502) 9.898 19.163 ( 0.363 0.574 0.097) 0.686 20.741 ( 0.792 0.154 6.271) 6.322 21.975 ( -10.320 3.361 -13.440) 17.275 22.534 ( 12.357 14.806 6.939) 20.495======================= Grid point 199 (79/146) =======================q-point: (-0.27 -0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( -6.545 -7.206 6.110) 11.493 2.616 ( 1.023 -7.955 -2.077) 8.285 3.045 ( -5.318 1.915 6.199) 8.389 3.177 ( -2.116 -6.473 1.548) 6.984 3.333 ( 3.573 -9.976 -1.257) 10.671 3.425 ( -1.619 -5.775 1.117) 6.101 3.815 ( 0.197 7.860 0.147) 7.864 3.848 ( -4.480 -2.821 -8.321) 9.862 4.261 ( 4.724 -0.050 -1.543) 4.969 7.078 ( 3.173 9.381 3.165) 10.396 8.064 ( 1.397 2.073 3.056) 3.948 8.156 ( 1.266 2.124 0.553) 2.534 10.852 ( 3.065 2.852 3.591) 5.515 11.352 ( 0.941 4.667 -2.473) 5.365 11.520 ( -1.264 0.384 -4.687) 4.870 13.201 ( -1.784 -5.502 2.695) 6.381 13.488 ( -0.863 -1.220 -2.491) 2.905 14.186 ( 1.651 -5.825 6.172) 8.646 14.297 ( 0.120 -3.364 -2.053) 3.943 14.898 ( -6.355 -9.633 1.239) 11.607 19.177 ( 0.581 0.814 0.281) 1.038 20.838 ( 1.345 -0.934 6.596) 6.796 21.648 ( -13.898 1.333 -14.859) 20.389 22.954 ( 16.925 19.221 8.458) 26.972======================= Grid point 200 (80/146) =======================q-point: (-0.18 -0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.720 ( -8.574 -10.698 -0.621) 13.723 2.591 ( 2.543 -4.261 0.381) 4.976 2.973 ( -3.577 -9.473 -2.794) 10.504 3.009 ( -6.511 -8.929 -3.140) 11.488 3.242 ( 5.121 -10.685 -3.972) 12.497 3.467 ( -12.276 -0.215 4.768) 13.171 3.786 ( 8.056 3.575 -0.282) 8.818 3.860 ( 3.532 5.507 -4.727) 8.071 4.339 ( 1.788 3.832 4.919) 6.487 7.215 ( 2.022 8.310 2.562) 8.927 8.129 ( 1.376 2.072 1.526) 2.918 8.198 ( 1.830 2.323 0.354) 2.978 10.953 ( 2.569 3.588 2.332) 4.992 11.386 ( 2.211 4.199 -0.267) 4.753 11.459 ( -0.931 0.840 -2.995) 3.247 13.145 ( -3.812 -6.887 0.948) 7.928 13.444 ( -0.159 -1.203 -1.508) 1.936 14.189 ( -1.116 -3.199 -0.317) 3.403 14.295 ( 2.173 -5.611 3.626) 7.025 14.755 ( -7.435 -7.868 0.194) 10.827 19.196 ( 0.550 1.005 0.368) 1.203 20.926 ( 1.479 -3.517 6.430) 7.477 21.293 ( -12.746 0.053 -12.808) 18.070 23.413 ( 16.084 20.259 5.845) 26.520======================= Grid point 209 (81/146) =======================q-point: (-0.36 -0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.966 ( -0.000 -4.834 11.283) 12.275 2.572 ( -0.000 -11.954 -9.065) 15.003 3.153 ( 0.000 2.730 0.732) 2.826 3.169 ( 0.000 1.557 14.857) 14.938 3.266 ( -0.000 -9.988 0.350) 9.995 3.431 ( -0.000 -16.440 -9.245) 18.861 3.798 ( 0.000 7.125 -4.267) 8.305 3.980 ( 0.000 3.525 0.175) 3.530 4.168 ( -0.000 -6.085 -4.975) 7.860 7.039 ( 0.000 11.181 4.488) 12.048 8.045 ( 0.000 2.009 3.220) 3.796 8.139 ( 0.000 2.026 0.343) 2.055 10.812 ( 0.000 2.864 4.539) 5.367 11.340 ( 0.000 4.657 -3.063) 5.574 11.537 ( -0.000 0.337 -4.992) 5.003 13.224 ( -0.000 -4.885 3.438) 5.974 13.498 ( -0.000 -1.554 -3.105) 3.472 14.158 ( -0.000 -7.060 8.133) 10.770 14.300 ( -0.000 -2.382 -3.632) 4.344 14.986 ( -0.000 -10.164 1.723) 10.309 19.170 ( 0.000 0.831 0.447) 0.943 20.821 ( 0.000 0.112 6.284) 6.285 21.879 ( -0.000 2.691 -16.037) 16.262 22.682 ( 0.000 18.807 9.853) 21.231======================= Grid point 210 (82/146) =======================q-point: (-0.27 -0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( -10.403 -8.863 4.720) 14.458 2.424 ( 9.162 -11.086 -5.916) 15.551 3.039 ( -1.992 -14.598 -5.442) 15.707 3.115 ( 2.127 -19.584 -8.268) 21.364 3.200 ( -6.157 2.477 -0.113) 6.638 3.494 ( 8.994 5.523 3.784) 11.212 3.704 ( -1.006 2.664 -10.741) 11.112 3.945 ( -10.535 -2.245 0.482) 10.782 4.233 ( 7.446 5.164 9.966) 13.470 7.192 ( 0.236 11.739 5.050) 12.781 8.102 ( 0.628 2.070 2.328) 3.178 8.160 ( 0.915 2.140 -0.230) 2.339 10.907 ( 0.971 3.603 4.924) 6.178 11.343 ( 0.933 4.658 -2.224) 5.245 11.480 ( -0.538 0.657 -3.591) 3.690 13.218 ( -1.692 -5.816 2.766) 6.659 13.441 ( 0.215 -2.111 -3.322) 3.942 14.209 ( -0.420 -5.583 4.311) 7.066 14.243 ( 1.340 -4.564 0.577) 4.791 14.912 ( -3.785 -8.928 1.196) 9.770 19.186 ( 0.183 1.106 0.767) 1.359 20.900 ( 0.514 -1.339 5.943) 6.113 21.614 ( -9.652 1.491 -16.109) 18.839 23.033 ( 10.910 21.184 8.892) 25.433======================= Grid point 211 (83/146) =======================q-point: (-0.18 -0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( -11.551 -14.790 -2.503) 18.932 2.435 ( 9.696 -10.728 -4.195) 15.056 2.831 ( 1.648 -20.313 -9.716) 22.578 2.877 ( -0.120 -7.353 -5.575) 9.228 3.180 ( -2.077 -0.252 0.797) 2.238 3.455 ( 4.863 -6.021 -17.243) 18.900 3.707 ( -2.836 2.131 4.147) 5.457 3.837 ( 0.120 2.384 -1.469) 2.803 4.540 ( 1.453 11.466 16.190) 19.892 7.330 ( -1.391 10.646 4.348) 11.584 8.142 ( 0.603 1.992 0.102) 2.084 8.191 ( 1.963 2.147 -0.211) 2.916 11.005 ( 0.423 4.160 3.949) 5.752 11.380 ( 2.672 4.637 -0.821) 5.414 11.445 ( -0.519 0.539 -1.277) 1.480 13.159 ( -4.281 -6.741 0.969) 8.044 13.399 ( 1.548 -2.283 -2.110) 3.473 14.176 ( -0.702 -3.014 0.163) 3.099 14.287 ( 1.647 -5.940 5.327) 8.147 14.788 ( -6.927 -6.730 -1.076) 9.718 19.209 ( 0.109 1.316 0.929) 1.615 20.967 ( 0.572 -3.916 5.926) 7.126 21.280 ( -11.634 0.444 -13.539) 17.856 23.444 ( 13.555 21.144 4.837) 25.577======================= Grid point 221 (84/146) =======================q-point: (-0.27 -0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.090 ( -0.000 -16.661 -11.594) 20.298 2.101 ( -0.000 -13.389 7.103) 15.157 2.795 ( -0.000 -25.383 -11.508) 27.870 2.874 ( -0.000 -7.181 -9.958) 12.277 3.284 ( 0.000 5.128 0.002) 5.128 3.311 ( -0.000 -5.519 -14.631) 15.638 3.704 ( 0.000 7.398 0.579) 7.421 3.936 ( -0.000 -7.006 -3.663) 7.906 4.482 ( 0.000 13.003 20.035) 23.884 7.352 ( 0.000 12.364 5.509) 13.536 8.137 ( 0.000 1.837 1.332) 2.269 8.159 ( 0.000 2.133 -1.207) 2.451 11.001 ( 0.000 3.970 5.735) 6.975 11.342 ( 0.000 4.947 -2.184) 5.408 11.453 ( 0.000 0.635 -1.787) 1.896 13.225 ( -0.000 -6.168 2.803) 6.775 13.370 ( -0.000 -2.925 -4.134) 5.064 14.187 ( -0.000 -2.851 -0.906) 2.991 14.260 ( -0.000 -6.871 7.341) 10.055 14.887 ( -0.000 -7.389 0.048) 7.390 19.207 ( 0.000 1.385 1.170) 1.813 20.958 ( -0.000 -2.804 5.782) 6.426 21.472 ( -0.000 1.022 -16.369) 16.401 23.229 ( 0.000 22.183 7.148) 23.306======================= Grid point 222 (85/146) =======================q-point: (-0.18 -0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( -11.527 -19.444 -7.852) 23.929 2.119 ( 10.379 -21.081 -4.910) 24.005 2.467 ( 3.443 -25.786 -12.859) 29.019 2.688 ( 6.682 -0.696 -19.620) 20.738 3.115 ( -0.242 -9.521 -2.984) 9.980 3.285 ( -3.108 2.532 -2.591) 4.773 3.791 ( 1.589 5.248 2.700) 6.113 3.842 ( -2.603 -3.040 0.312) 4.014 4.835 ( 0.940 15.761 14.810) 21.647 7.497 ( -1.972 11.444 4.794) 12.563 8.147 ( -0.352 1.909 -1.281) 2.326 8.176 ( 1.788 1.719 -0.475) 2.525 11.100 ( -0.867 4.274 5.158) 6.754 11.366 ( 2.263 5.189 -1.794) 5.938 11.447 ( -0.006 0.151 0.652) 0.669 13.179 ( -4.424 -6.390 1.097) 7.849 13.318 ( 3.162 -3.443 -2.568) 5.334 14.171 ( -0.013 -1.978 1.309) 2.372 14.305 ( 0.419 -5.928 5.866) 8.350 14.795 ( -4.721 -5.350 -2.833) 7.676 19.235 ( -0.106 1.568 1.337) 2.063 21.010 ( -0.008 -5.368 6.539) 8.460 21.224 ( -6.904 0.486 -13.876) 15.506 23.513 ( 7.781 21.677 2.607) 23.178======================= Grid point 233 (86/146) =======================q-point: (-0.18 -0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( -0.000 -20.944 -12.567) 24.426 1.790 ( -0.000 -27.400 -8.067) 28.562 2.071 ( -0.000 -30.203 -12.063) 32.523 2.232 ( -0.000 -7.590 -32.557) 33.430 3.153 ( -0.000 -5.425 13.349) 14.409 3.281 ( 0.000 1.954 -4.801) 5.184 3.843 ( 0.000 5.776 1.806) 6.051 3.866 ( -0.000 -2.914 4.085) 5.017 5.102 ( 0.000 19.029 6.401) 20.077 7.653 ( 0.000 10.817 4.095) 11.566 8.142 ( 0.000 1.948 -2.120) 2.879 8.167 ( 0.000 1.088 -0.441) 1.174 11.210 ( 0.000 3.871 5.561) 6.775 11.361 ( 0.000 5.565 -2.285) 6.016 11.464 ( 0.000 -0.265 2.050) 2.067 13.206 ( -0.000 -3.682 -4.447) 5.773 13.208 ( -0.000 -6.589 3.575) 7.496 14.184 ( -0.000 -0.792 2.254) 2.389 14.335 ( -0.000 -5.145 4.947) 7.137 14.741 ( -0.000 -3.210 -5.922) 6.736 19.266 ( 0.000 1.683 1.437) 2.213 21.063 ( -0.000 -7.938 8.979) 11.985 21.096 ( -0.000 0.420 -12.548) 12.555 23.630 ( 0.000 21.434 -1.592) 21.494======================= Grid point 270 (87/146) =======================q-point: ( 0.18 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( -0.000 0.000 15.602) 15.602 1.443 ( 0.000 -0.000 15.602) 15.602 2.171 ( -0.000 -0.000 24.918) 24.918 3.304 ( -0.000 0.000 2.921) 2.921 3.304 ( 0.000 0.000 2.921) 2.921 3.486 ( -0.000 -0.000 21.562) 21.562 3.788 ( -0.000 -0.000 1.088) 1.088 3.788 ( 0.000 -0.000 1.088) 1.088 4.434 ( 0.000 0.000 -35.908) 35.908 7.661 ( 0.000 0.000 -8.217) 8.217 8.161 ( -0.000 0.000 -2.035) 2.035 8.161 ( 0.000 0.000 -2.035) 2.035 11.243 ( 0.000 -0.000 -4.108) 4.108 11.243 ( 0.000 -0.000 -4.108) 4.108 11.585 ( -0.000 -0.000 4.291) 4.291 13.180 ( -0.000 -0.000 3.863) 3.863 13.180 ( 0.000 0.000 3.863) 3.863 14.003 ( -0.000 0.000 -2.378) 2.378 14.003 ( 0.000 0.000 -2.378) 2.378 14.626 ( 0.000 0.000 -3.310) 3.310 19.233 ( 0.000 0.000 -1.852) 1.852 21.357 ( -0.000 -0.000 7.270) 7.270 21.357 ( -0.000 0.000 7.270) 7.270 23.666 ( 0.000 0.000 -16.512) 16.512======================= Grid point 271 (88/146) =======================q-point: ( 0.27 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.559 ( -3.529 -2.037 15.349) 15.881 1.844 ( 16.430 9.486 13.668) 23.383 2.532 ( 4.354 2.514 23.433) 23.967 3.211 ( -7.995 -4.616 1.898) 9.425 3.295 ( -8.278 -4.779 -6.222) 11.406 3.645 ( 5.381 3.107 -4.182) 7.490 3.783 ( -4.195 -2.422 2.591) 5.493 3.869 ( 3.182 1.837 3.006) 4.748 4.113 ( 4.986 2.879 -10.628) 12.088 7.522 ( -2.725 -1.573 -9.113) 9.641 8.120 ( 0.008 0.005 -3.231) 3.231 8.144 ( 1.220 0.704 -3.010) 3.323 11.114 ( -3.771 -2.177 -4.067) 5.958 11.270 ( 4.557 2.631 -3.991) 6.604 11.640 ( -1.472 -0.850 5.891) 6.131 13.160 ( -4.034 -2.329 3.737) 5.971 13.300 ( 4.083 2.357 3.429) 5.829 13.985 ( 0.948 0.547 -0.961) 1.457 14.021 ( 2.128 1.229 1.690) 2.982 14.578 ( 0.072 0.041 -4.287) 4.288 19.210 ( -0.064 -0.037 -1.536) 1.537 21.277 ( -9.316 -5.379 3.046) 11.180 21.557 ( 4.009 2.315 7.782) 9.054 23.444 ( 1.423 0.821 -18.390) 18.463======================= Grid point 272 (89/146) =======================q-point: ( 0.36 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( -1.432 -0.827 15.894) 15.980 2.279 ( 15.222 8.788 6.560) 18.761 2.891 ( 3.124 1.803 19.932) 20.255 2.935 ( -6.442 -3.719 -20.292) 21.612 3.089 ( -8.069 -4.659 1.040) 9.375 3.549 ( 1.277 0.737 -12.496) 12.583 3.815 ( -3.100 -1.790 9.029) 9.713 3.963 ( 2.572 1.485 3.608) 4.674 4.205 ( 5.318 3.070 3.017) 6.842 7.348 ( -3.152 -1.820 -9.035) 9.740 8.079 ( 0.644 0.372 -3.915) 3.985 8.124 ( 1.605 0.927 -3.553) 4.007 11.019 ( -1.487 -0.859 -3.558) 3.951 11.291 ( 4.127 2.382 -3.984) 6.211 11.686 ( -2.767 -1.598 6.536) 7.276 13.144 ( -3.628 -2.094 3.816) 5.666 13.399 ( 2.794 1.613 2.666) 4.185 14.008 ( 1.772 1.023 0.857) 2.219 14.112 ( 2.791 1.611 5.488) 6.364 14.516 ( -0.452 -0.261 -4.670) 4.699 19.193 ( 0.165 0.095 -1.110) 1.126 21.135 ( -9.182 -5.301 -0.539) 10.616 21.694 ( -0.453 -0.261 8.787) 8.803 23.246 ( 5.076 2.931 -20.226) 21.059======================= Grid point 273 (90/146) =======================q-point: (-0.55 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( -1.260 -0.727 16.082) 16.148 2.186 ( -8.567 -4.946 -23.275) 25.290 2.919 ( -9.229 -5.328 0.554) 10.671 2.955 ( 18.564 10.718 2.368) 21.566 3.181 ( -0.742 -0.429 15.535) 15.558 3.424 ( -1.415 -0.817 -6.392) 6.597 3.857 ( -4.990 -2.881 8.036) 9.889 4.041 ( 1.534 0.885 2.703) 3.231 4.296 ( 3.578 2.066 -1.168) 4.294 7.203 ( -0.541 -0.312 -7.688) 7.713 8.042 ( 1.087 0.627 -3.894) 4.091 8.106 ( 1.759 1.015 -3.456) 4.009 10.973 ( 1.128 0.651 -2.951) 3.226 11.304 ( 3.629 2.095 -4.132) 5.885 11.714 ( -3.492 -2.016 5.688) 6.972 13.139 ( -3.056 -1.764 4.031) 5.357 13.462 ( 1.149 0.663 1.985) 2.388 14.065 ( 1.890 1.091 3.206) 3.878 14.246 ( 2.289 1.321 7.991) 8.417 14.445 ( -1.100 -0.635 -4.082) 4.275 19.187 ( 0.571 0.330 -0.726) 0.981 20.971 ( -7.472 -4.314 -2.435) 8.965 21.781 ( -3.611 -2.085 10.366) 11.173 23.085 ( 8.609 4.970 -22.374) 24.483======================= Grid point 274 (91/146) =======================q-point: (-0.45 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( -10.384 -5.995 -19.551) 22.935 2.066 ( -5.315 -3.068 13.924) 15.216 2.786 ( -6.843 -3.951 1.515) 8.046 3.235 ( 6.090 3.516 -4.523) 8.361 3.282 ( -8.498 -4.907 11.170) 14.869 3.376 ( 5.816 3.358 0.777) 6.760 3.895 ( -3.317 -1.915 11.439) 12.063 4.082 ( 0.519 0.299 0.982) 1.150 4.286 ( 2.260 1.305 -8.161) 8.568 7.147 ( 4.371 2.524 -5.345) 7.352 8.017 ( 1.443 0.833 -3.078) 3.500 8.095 ( 1.756 1.014 -2.711) 3.385 10.979 ( 3.494 2.018 -2.262) 4.626 11.304 ( 3.106 1.793 -4.511) 5.763 11.713 ( -3.594 -2.075 3.241) 5.266 13.146 ( -2.544 -1.469 4.257) 5.172 13.489 ( -0.442 -0.255 1.195) 1.300 14.155 ( 1.665 0.961 5.828) 6.137 14.379 ( -1.828 -1.055 -1.993) 2.903 14.383 ( 0.818 0.473 8.473) 8.526 19.193 ( 1.070 0.618 -0.466) 1.321 20.836 ( -4.654 -2.687 -1.961) 5.721 21.848 ( -5.508 -3.180 11.478) 13.123 22.949 ( 11.456 6.614 -24.103) 27.495======================= Grid point 275 (92/146) =======================q-point: (-0.36 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( -10.574 -6.105 -0.485) 12.220 2.056 ( -13.424 -7.750 8.812) 17.830 2.755 ( -3.810 -2.199 6.098) 7.519 3.100 ( -8.092 -4.672 -7.812) 12.179 3.199 ( -13.990 -8.077 6.881) 17.558 3.504 ( 3.315 1.914 2.535) 4.592 4.083 ( -0.508 -0.293 -0.918) 1.089 4.103 ( 6.586 3.802 14.149) 16.063 4.157 ( 2.217 1.280 -16.640) 16.836 7.209 ( 9.159 5.288 -3.141) 11.033 8.013 ( 1.767 1.020 -1.605) 2.595 8.096 ( 1.694 0.978 -1.536) 2.487 11.029 ( 5.211 3.009 -1.289) 6.154 11.290 ( 2.676 1.545 -5.049) 5.919 11.676 ( -3.246 -1.874 -0.086) 3.749 13.163 ( -2.300 -1.328 4.412) 5.150 13.479 ( -1.718 -0.992 0.062) 1.984 14.252 ( 1.511 0.872 2.067) 2.705 14.357 ( -2.708 -1.564 7.307) 7.948 14.481 ( -1.181 -0.682 6.626) 6.765 19.210 ( 1.554 0.897 -0.378) 1.834 20.775 ( -1.573 -0.908 0.914) 2.033 21.871 ( -7.614 -4.396 7.014) 11.246 22.866 ( 14.539 8.394 -20.432) 26.444======================= Grid point 276 (93/146) =======================q-point: (-0.27 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( -9.339 -5.392 24.297) 26.582 1.884 ( -17.891 -10.330 7.022) 21.820 2.696 ( -17.440 -10.069 7.318) 21.427 2.787 ( -17.363 -10.025 -6.460) 21.065 3.098 ( -4.146 -2.394 5.739) 7.474 3.585 ( 2.951 1.704 1.319) 3.654 3.907 ( -1.015 -0.586 -20.453) 20.487 4.041 ( -1.604 -0.926 -2.710) 3.282 4.452 ( 13.169 7.603 11.144) 18.853 7.355 ( 11.640 6.720 -2.226) 13.624 8.035 ( 2.022 1.167 0.166) 2.341 8.112 ( 1.612 0.930 -0.334) 1.891 11.118 ( 6.101 3.523 0.157) 7.047 11.264 ( 2.504 1.446 -5.541) 6.250 11.605 ( -2.651 -1.531 -2.859) 4.189 13.182 ( -2.389 -1.379 4.484) 5.264 13.432 ( -2.858 -1.650 -1.489) 3.620 14.247 ( -0.271 -0.157 -1.814) 1.841 14.486 ( -1.564 -0.903 14.958) 15.067 14.508 ( -3.095 -1.787 2.896) 4.600 19.233 ( 1.839 1.062 -0.542) 2.192 20.810 ( 0.742 0.428 5.335) 5.403 21.727 ( -9.716 -5.609 -7.267) 13.366 22.954 ( 17.415 10.054 -6.492) 21.131======================= Grid point 277 (94/146) =======================q-point: (-0.18 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( -7.723 -4.459 36.638) 37.708 1.672 ( -19.065 -11.007 9.022) 23.792 2.379 ( -22.754 -13.137 -2.294) 26.374 2.398 ( -26.731 -15.433 7.873) 31.854 3.176 ( 2.070 1.195 5.789) 6.263 3.472 ( -5.017 -2.896 -18.486) 19.372 3.770 ( 5.675 3.276 -3.036) 7.222 3.962 ( -2.411 -1.392 -3.897) 4.789 4.816 ( 15.928 9.196 6.095) 19.375 7.521 ( 11.423 6.595 -2.781) 13.480 8.083 ( 2.099 1.212 1.667) 2.941 8.139 ( 1.432 0.827 0.432) 1.709 11.233 ( 2.726 1.574 -5.760) 6.564 11.235 ( 6.141 3.546 1.852) 7.329 11.522 ( -1.781 -1.028 -3.682) 4.218 13.198 ( -2.730 -1.576 4.494) 5.490 13.341 ( -4.370 -2.523 -3.169) 5.959 14.217 ( -0.513 -0.296 -1.583) 1.690 14.454 ( -4.312 -2.489 -1.466) 5.190 14.650 ( -1.641 -0.947 13.056) 13.193 19.255 ( 1.775 1.025 -0.981) 2.273 20.930 ( 1.466 0.846 9.732) 9.878 21.391 ( -10.547 -6.089 -15.333) 19.581 23.258 ( 19.439 11.223 3.488) 22.715======================= Grid point 282 (95/146) =======================q-point: ( 0.27 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.810 ( 0.000 2.175 14.150) 14.316 1.968 ( 0.000 10.247 13.850) 17.229 2.840 ( 0.000 4.417 23.009) 23.429 3.042 ( -0.000 -14.403 -20.203) 24.812 3.342 ( -0.000 0.925 -15.972) 15.998 3.393 ( 0.000 1.567 -1.184) 1.964 3.910 ( 0.000 1.494 4.304) 4.556 3.914 ( 0.000 2.805 7.846) 8.332 4.102 ( 0.000 0.452 6.049) 6.066 7.394 ( -0.000 -3.009 -10.146) 10.582 8.068 ( -0.000 -0.792 -3.919) 3.998 8.102 ( 0.000 1.639 -3.508) 3.872 11.047 ( -0.000 -6.092 -4.158) 7.376 11.227 ( 0.000 6.565 -3.881) 7.627 11.724 ( 0.000 -1.810 6.799) 7.036 13.210 ( -0.000 -4.242 3.404) 5.438 13.344 ( 0.000 4.580 3.227) 5.603 13.974 ( -0.000 -2.173 1.656) 2.732 14.084 ( 0.000 6.503 5.058) 8.238 14.524 ( -0.000 0.647 -4.516) 4.563 19.191 ( -0.000 -0.092 -1.257) 1.261 21.283 ( -0.000 -14.515 0.968) 14.547 21.675 ( 0.000 12.507 4.561) 13.313 23.177 ( -0.000 -2.601 -19.177) 19.352======================= Grid point 283 (96/146) =======================q-point: ( 0.36 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( -2.860 -1.358 11.554) 11.980 2.258 ( 4.777 6.089 3.626) 8.546 2.648 ( 2.912 0.977 -19.878) 20.114 3.142 ( -6.398 -3.096 3.120) 7.763 3.175 ( -0.163 1.602 14.824) 14.911 3.403 ( 2.809 -0.758 -4.230) 5.134 3.965 ( -1.960 -0.585 6.138) 6.470 4.022 ( -1.727 2.624 6.139) 6.897 4.197 ( 4.084 0.960 2.243) 4.757 7.228 ( -0.884 -3.179 -10.197) 10.718 8.015 ( 0.739 -0.701 -3.922) 4.052 8.074 ( 0.689 1.861 -3.411) 3.947 10.953 ( 0.402 -5.018 -3.710) 6.253 11.236 ( 1.494 6.239 -3.894) 7.505 11.783 ( -1.610 -2.550 5.966) 6.685 13.209 ( -1.980 -3.480 3.387) 5.244 13.424 ( 1.380 3.447 2.520) 4.488 14.002 ( 1.949 -3.122 3.678) 5.204 14.231 ( -0.271 8.751 8.579) 12.258 14.469 ( -0.585 0.489 -3.833) 3.909 19.177 ( 0.197 0.003 -0.916) 0.937 21.140 ( -4.582 -12.697 -1.808) 13.619 21.818 ( 0.180 10.713 3.710) 11.338 22.924 ( 3.438 -2.900 -19.610) 20.119======================= Grid point 284 (97/146) =======================q-point: (-0.55 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( -2.550 -14.546 -12.973) 19.657 2.229 ( -7.869 8.530 8.346) 14.295 2.823 ( 16.106 7.225 2.165) 17.785 3.004 ( -5.946 -1.967 0.526) 6.285 3.346 ( 0.253 -1.950 -3.081) 3.655 3.432 ( -3.325 1.930 15.867) 16.326 4.004 ( -2.628 -1.981 5.729) 6.607 4.074 ( -1.592 0.577 3.628) 4.004 4.247 ( 1.864 0.710 -2.032) 2.848 7.082 ( 1.112 -1.558 -8.919) 9.123 7.978 ( 1.422 -0.465 -3.183) 3.517 8.058 ( 1.072 1.953 -2.763) 3.550 10.896 ( 2.583 -3.576 -2.933) 5.298 11.247 ( 1.478 5.871 -4.143) 7.336 11.798 ( -2.753 -2.756 3.381) 5.158 13.206 ( -1.995 -2.846 3.582) 4.991 13.486 ( 0.608 2.143 1.684) 2.792 14.072 ( 3.583 -4.273 5.639) 7.930 14.412 ( -2.058 9.695 10.382) 14.353 14.420 ( -1.210 -0.372 -1.767) 2.173 19.173 ( 0.551 0.183 -0.638) 0.862 20.963 ( -4.798 -9.471 -2.898) 11.006 21.934 ( -0.871 7.066 5.050) 8.729 22.709 ( 6.514 -0.655 -21.189) 22.177======================= Grid point 285 (98/146) =======================q-point: (-0.45 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( -5.232 -11.608 -2.329) 12.944 2.321 ( -7.894 1.183 10.859) 13.477 2.848 ( -3.014 -4.048 1.487) 5.261 3.139 ( 5.802 6.412 -2.560) 9.018 3.324 ( 5.831 3.471 -0.763) 6.829 3.529 ( -10.454 -2.923 11.810) 16.041 4.024 ( -0.715 -4.382 3.753) 5.814 4.101 ( -1.126 0.797 3.865) 4.104 4.193 ( -2.251 -0.176 -5.982) 6.394 7.020 ( 5.526 1.493 -6.543) 8.693 7.964 ( 1.928 -0.116 -1.804) 2.643 8.058 ( 1.283 1.990 -1.727) 2.931 10.891 ( 4.993 -2.384 -1.847) 5.833 11.249 ( 0.990 5.856 -4.610) 7.518 11.762 ( -3.269 -2.468 -0.072) 4.097 13.212 ( -1.604 -2.514 3.839) 4.861 13.512 ( -0.761 0.962 0.667) 1.396 14.168 ( 4.237 -4.684 5.763) 8.550 14.396 ( -1.001 -2.214 2.235) 3.302 14.575 ( -4.781 8.862 10.279) 14.390 19.177 ( 1.002 0.406 -0.476) 1.181 20.828 ( -2.525 -6.263 -1.210) 6.861 22.028 ( -3.585 2.892 6.746) 8.169 22.530 ( 10.424 3.792 -22.961) 25.500======================= Grid point 286 (99/146) =======================q-point: (-0.36 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.561 ( -4.719 -9.600 18.720) 21.561 2.280 ( -12.812 -6.787 6.907) 16.059 2.874 ( -1.186 1.827 6.548) 6.901 3.061 ( -5.173 0.104 -8.207) 9.702 3.435 ( -16.849 -6.990 6.673) 19.424 3.480 ( 7.580 6.159 0.213) 9.770 3.954 ( -3.525 -8.133 -6.630) 11.069 4.075 ( -1.619 -1.256 -4.212) 4.684 4.217 ( 4.606 5.162 7.547) 10.238 7.072 ( 10.062 4.429 -4.235) 11.781 7.979 ( 2.302 0.328 -0.101) 2.328 8.075 ( 1.381 2.027 -0.612) 2.528 10.938 ( 7.042 -1.726 -0.503) 7.268 11.238 ( 0.373 6.343 -5.052) 8.118 11.682 ( -3.267 -1.941 -3.006) 4.845 13.227 ( -1.307 -2.535 4.053) 4.956 13.498 ( -2.190 0.008 -0.401) 2.226 14.232 ( 1.744 -2.057 1.478) 3.075 14.438 ( 1.855 -7.225 8.344) 11.193 14.679 ( -7.284 6.775 8.670) 13.196 19.191 ( 1.457 0.620 -0.467) 1.651 20.790 ( 0.601 -3.603 2.928) 4.681 21.969 ( -9.031 -2.978 -5.820) 11.149 22.521 ( 16.348 11.187 -10.316) 22.334======================= Grid point 287 (100/146) =======================q-point: (-0.27 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.777 ( -2.811 -11.193 29.358) 31.545 2.137 ( -15.915 -6.567 9.465) 19.646 2.831 ( -12.274 -1.503 -8.657) 15.095 2.939 ( -8.665 -1.312 7.771) 11.713 3.236 ( -12.870 -5.194 3.191) 14.241 3.590 ( 1.523 3.310 0.831) 3.737 3.690 ( -5.579 -5.314 -12.419) 14.615 4.003 ( -0.613 -4.543 -2.656) 5.298 4.457 ( 11.792 7.860 4.452) 14.854 7.209 ( 12.523 5.804 -3.218) 14.173 8.023 ( 2.533 0.777 1.448) 3.019 8.105 ( 1.357 2.108 0.219) 2.516 11.023 ( 8.257 -1.954 0.248) 8.489 11.225 ( 0.076 7.582 -4.531) 8.833 11.582 ( -2.818 -1.367 -4.279) 5.302 13.245 ( -1.247 -3.135 4.071) 5.288 13.447 ( -3.698 -0.587 -1.372) 3.988 14.233 ( -0.521 -0.579 -0.377) 0.866 14.504 ( 1.103 -7.911 4.862) 9.351 14.734 ( -6.069 1.412 9.258) 11.160 19.209 ( 1.732 0.744 -0.668) 2.000 20.865 ( 3.193 -2.477 7.969) 8.935 21.659 ( -10.383 -4.510 -15.985) 19.587 22.786 ( 17.759 15.142 0.872) 23.354======================= Grid point 288 (101/146) =======================q-point: (-0.18 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( -9.604 -18.035 10.179) 22.828 2.206 ( -10.827 -3.917 28.558) 30.791 2.545 ( -16.160 0.980 -2.000) 16.312 2.763 ( -24.921 -7.480 7.750) 27.149 3.213 ( 1.910 0.252 2.806) 3.404 3.344 ( -11.093 -8.010 -8.581) 16.151 3.711 ( 5.166 7.228 -1.558) 9.020 3.920 ( -1.093 -6.017 -2.275) 6.525 4.703 ( 14.668 9.141 -3.335) 17.602 7.368 ( 12.530 5.443 -3.624) 14.134 8.087 ( 2.491 1.005 2.216) 3.482 8.142 ( 1.117 2.248 0.491) 2.558 11.094 ( 6.320 -1.219 -2.974) 7.090 11.260 ( 2.369 7.503 -0.044) 7.868 11.491 ( -1.817 -0.724 -3.489) 4.000 13.247 ( -1.503 -5.303 2.922) 6.238 13.367 ( -5.264 0.161 -1.250) 5.413 14.209 ( -1.240 -0.475 -0.923) 1.617 14.451 ( -3.934 -4.389 -2.566) 6.428 14.792 ( -2.062 -5.281 8.330) 10.076 19.225 ( 1.684 0.752 -1.038) 2.117 21.027 ( 4.434 -3.695 11.985) 13.302 21.283 ( -9.953 -4.349 -14.638) 18.227 23.165 ( 18.004 17.907 2.351) 25.501======================= Grid point 294 (102/146) =======================q-point: ( 0.36 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( -0.000 -14.316 -9.841) 17.372 2.430 ( 0.000 9.210 10.187) 13.733 2.494 ( 0.000 10.075 -1.260) 10.154 3.106 ( -0.000 -6.413 -2.466) 6.871 3.335 ( -0.000 -1.897 -1.437) 2.380 3.470 ( 0.000 4.469 18.307) 18.845 4.014 ( -0.000 -2.360 3.178) 3.959 4.165 ( 0.000 3.868 6.069) 7.196 4.176 ( -0.000 -0.563 -0.421) 0.703 7.072 ( -0.000 -3.264 -10.369) 10.870 7.958 ( -0.000 -0.813 -3.109) 3.214 8.044 ( 0.000 2.236 -2.748) 3.543 10.862 ( -0.000 -5.520 -3.195) 6.378 11.228 ( 0.000 7.272 -3.877) 8.241 11.835 ( -0.000 -3.195 3.459) 4.709 13.234 ( -0.000 -3.986 3.133) 5.070 13.473 ( 0.000 3.750 1.890) 4.200 14.022 ( -0.000 -4.566 5.653) 7.267 14.435 ( 0.000 1.787 -2.566) 3.127 14.443 ( 0.000 9.832 11.698) 15.281 19.166 ( -0.000 0.033 -0.675) 0.676 21.034 ( -0.000 -14.026 -2.988) 14.340 21.928 ( 0.000 14.441 -0.831) 14.465 22.632 ( -0.000 -5.080 -16.887) 17.635======================= Grid point 295 (103/146) =======================q-point: (-0.55 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( -1.599 -14.073 -2.546) 14.391 2.500 ( -7.277 5.841 8.548) 12.655 2.728 ( 10.494 3.561 3.487) 11.617 3.056 ( -1.032 2.260 1.458) 2.881 3.287 ( -0.027 -2.067 -3.331) 3.920 3.703 ( -3.323 1.495 15.640) 16.059 4.020 ( 0.469 -4.765 1.230) 4.944 4.145 ( -1.292 -0.095 -0.856) 1.553 4.245 ( -1.330 2.065 2.201) 3.298 6.932 ( 1.614 -1.486 -9.108) 9.369 7.926 ( 0.853 -0.495 -1.717) 1.980 8.035 ( 0.502 2.375 -1.784) 3.013 10.801 ( 1.887 -4.454 -2.140) 5.289 11.232 ( 0.332 7.231 -4.149) 8.343 11.825 ( -1.431 -3.143 -0.052) 3.454 13.242 ( -0.704 -3.649 3.268) 4.949 13.518 ( 0.071 2.838 0.932) 2.988 14.082 ( 1.964 -5.765 7.317) 9.520 14.415 ( -0.412 -0.584 -0.247) 0.756 14.670 ( -2.180 11.032 12.077) 16.502 19.161 ( 0.322 0.131 -0.488) 0.599 20.887 ( -1.583 -11.415 -2.739) 11.845 22.018 ( 2.468 13.111 -2.274) 13.533 22.402 ( 0.825 -3.415 -15.250) 15.650======================= Grid point 296 (104/146) =======================q-point: (-0.45 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.643 ( -2.068 -11.752 15.474) 19.540 2.527 ( -7.076 -3.413 6.487) 10.188 2.844 ( 3.796 1.339 2.154) 4.565 3.132 ( -1.250 3.723 -1.120) 4.084 3.274 ( 5.717 5.905 -0.046) 8.219 3.781 ( -9.743 -3.663 9.331) 13.979 3.991 ( 0.505 -7.352 0.047) 7.369 4.116 ( -0.161 0.043 -3.137) 3.142 4.234 ( -4.585 1.126 1.936) 5.103 6.872 ( 5.481 1.807 -6.601) 8.768 7.928 ( 1.545 0.039 -0.071) 1.547 8.045 ( 0.902 2.443 -0.775) 2.717 10.793 ( 4.124 -3.112 -0.740) 5.219 11.231 ( 0.193 7.192 -4.570) 8.524 11.757 ( -2.368 -2.567 -3.140) 4.697 13.252 ( -0.708 -3.336 3.546) 4.920 13.536 ( -0.788 1.627 -0.103) 1.811 14.168 ( 2.632 -5.817 7.221) 9.639 14.414 ( 0.207 -2.823 2.556) 3.814 14.843 ( -5.093 8.089 10.125) 13.924 19.163 ( 0.719 0.270 -0.391) 0.862 20.785 ( -0.156 -7.586 0.262) 7.592 22.143 ( 1.483 8.035 2.087) 8.433 22.183 ( 3.721 2.996 -18.888) 19.483======================= Grid point 297 (105/146) =======================q-point: (-0.36 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( -1.139 -11.671 25.222) 27.814 2.462 ( -9.794 -5.950 7.565) 13.731 2.940 ( 2.777 4.428 0.485) 5.249 3.044 ( -4.989 -0.389 -3.112) 5.893 3.444 ( 6.773 9.714 0.814) 11.870 3.657 ( -14.858 -7.958 3.320) 17.179 3.903 ( -4.670 -9.727 -1.644) 10.915 4.028 ( -2.877 -2.788 -4.380) 5.936 4.264 ( 2.584 3.740 2.407) 5.144 6.924 ( 9.453 4.892 -4.105) 11.408 7.963 ( 2.069 0.677 1.425) 2.601 8.072 ( 1.210 2.532 -0.003) 2.806 10.839 ( 6.017 -1.982 0.594) 6.363 11.224 ( 0.040 7.438 -4.697) 8.797 11.655 ( -2.739 -1.862 -4.729) 5.774 13.267 ( -0.638 -3.443 3.756) 5.135 13.519 ( -1.967 0.551 -0.947) 2.251 14.233 ( 0.720 -3.235 3.949) 5.155 14.449 ( 2.203 -6.894 5.452) 9.061 14.916 ( -7.251 2.990 6.920) 10.460 19.172 ( 1.122 0.428 -0.402) 1.266 20.790 ( 2.474 -4.592 5.077) 7.279 21.890 ( -7.309 -1.490 -16.809) 18.390 22.384 ( 13.326 15.271 1.030) 20.294======================= Grid point 298 (106/146) =======================q-point: (-0.27 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( -2.134 -16.761 14.582) 22.318 2.475 ( -9.914 -1.956 20.324) 22.698 2.850 ( -7.464 2.613 -7.110) 10.634 3.066 ( 0.151 1.399 4.269) 4.495 3.412 ( -16.783 -9.074 0.830) 19.097 3.587 ( 4.554 9.793 -0.777) 10.828 3.686 ( -12.898 -8.493 -2.409) 15.630 3.924 ( -0.131 -8.185 -2.740) 8.632 4.390 ( 9.321 6.401 -1.692) 11.433 7.056 ( 11.486 6.218 -2.934) 13.387 8.024 ( 2.380 1.263 2.309) 3.548 8.110 ( 1.373 2.703 0.327) 3.049 10.920 ( 6.679 -1.100 0.580) 6.794 11.228 ( 0.629 7.784 -3.363) 8.502 11.548 ( -2.491 -1.247 -4.470) 5.268 13.278 ( -0.943 -4.408 3.466) 5.686 13.473 ( -3.117 -0.005 -1.363) 3.402 14.242 ( -1.282 -1.332 1.011) 2.107 14.484 ( 1.353 -7.844 3.360) 8.640 14.899 ( -6.569 -3.435 5.084) 8.989 19.186 ( 1.366 0.574 -0.545) 1.579 20.903 ( 4.772 -4.243 9.552) 11.490 21.542 ( -10.051 -2.103 -16.858) 19.740 22.728 ( 16.358 19.501 2.810) 25.608======================= Grid point 299 (107/146) =======================q-point: (-0.18 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( -5.814 -17.741 4.071) 19.108 2.555 ( -11.113 -3.673 6.013) 13.158 2.793 ( -7.689 3.737 14.691) 16.998 3.043 ( -13.549 -7.879 4.123) 16.207 3.218 ( -3.832 -0.933 -0.375) 3.962 3.449 ( -14.733 -4.530 4.225) 15.982 3.689 ( 3.765 8.691 -2.894) 9.904 3.839 ( 1.493 -9.640 -0.803) 9.788 4.513 ( 11.636 7.538 -8.662) 16.348 7.208 ( 11.368 5.713 -3.215) 13.123 8.094 ( 2.255 1.529 1.960) 3.356 8.152 ( 1.299 2.940 0.291) 3.228 10.985 ( 5.013 0.545 -2.163) 5.486 11.282 ( 2.776 6.917 0.318) 7.460 11.467 ( -1.509 -0.731 -2.574) 3.072 13.253 ( -2.428 -6.518 1.256) 7.068 13.419 ( -3.335 0.416 -0.024) 3.361 14.216 ( -1.907 -1.274 -0.166) 2.300 14.430 ( -3.544 -4.688 -2.523) 6.395 14.853 ( -3.287 -8.809 4.278) 10.329 19.199 ( 1.332 0.695 -0.767) 1.687 21.075 ( 5.404 -6.958 11.119) 14.186 21.205 ( -8.517 -2.072 -11.465) 14.431 23.121 ( 16.056 22.754 0.898) 27.863======================= Grid point 306 (108/146) =======================q-point: ( 0.45 -0.55 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( -0.000 -12.347 14.518) 19.058 2.639 ( -0.000 -5.485 3.658) 6.593 2.751 ( 0.000 6.245 5.610) 8.395 3.139 ( 0.000 10.117 4.159) 10.939 3.221 ( -0.000 -3.034 -4.097) 5.099 3.910 ( 0.000 -1.774 11.737) 11.870 3.974 ( -0.000 -7.686 -0.741) 7.722 4.116 ( -0.000 0.197 -3.315) 3.321 4.303 ( 0.000 1.536 1.698) 2.289 6.803 ( -0.000 0.531 -7.711) 7.729 7.908 ( -0.000 -0.001 -0.012) 0.012 8.033 ( 0.000 2.536 -0.824) 2.667 10.740 ( -0.000 -3.498 -0.807) 3.590 11.229 ( 0.000 7.330 -4.364) 8.530 11.789 ( -0.000 -2.906 -3.202) 4.324 13.262 ( -0.000 -3.727 3.356) 5.015 13.544 ( 0.000 2.478 -0.073) 2.479 14.131 ( -0.000 -6.940 8.948) 11.324 14.414 ( -0.000 -1.258 0.719) 1.449 14.911 ( 0.000 8.691 10.698) 13.783 19.154 ( 0.000 0.145 -0.354) 0.383 20.789 ( -0.000 -9.575 -0.928) 9.620 22.020 ( 0.000 13.588 -8.207) 15.874 22.235 ( -0.000 -1.229 -8.619) 8.706======================= Grid point 308 (109/146) =======================q-point: (-0.45 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.844 ( -0.555 -11.577 23.754) 26.431 2.630 ( -3.444 -5.338 6.395) 9.014 2.862 ( 2.290 3.982 2.786) 5.372 3.128 ( -1.708 -2.563 -4.141) 5.161 3.309 ( 3.149 12.494 4.189) 13.549 3.880 ( -1.970 -9.691 -1.625) 10.022 3.966 ( -3.224 -7.796 4.486) 9.555 4.068 ( -0.016 0.638 -4.733) 4.776 4.308 ( -2.792 0.325 1.158) 3.040 6.757 ( 3.482 4.066 -4.920) 7.270 7.925 ( 0.808 0.677 1.476) 1.813 8.049 ( 0.498 2.622 -0.131) 2.672 10.733 ( 2.189 -2.040 0.762) 3.088 11.223 ( 0.034 7.243 -4.616) 8.589 11.707 ( -1.156 -2.303 -5.000) 5.625 13.279 ( -0.252 -3.606 3.619) 5.115 13.549 ( -0.487 1.523 -1.041) 1.908 14.206 ( 0.892 -7.270 9.129) 11.704 14.415 ( 0.506 -2.766 1.392) 3.137 15.056 ( -3.170 3.824 7.173) 8.725 19.154 ( 0.352 0.230 -0.254) 0.491 20.748 ( 0.836 -5.901 3.025) 6.684 21.987 ( -0.091 8.729 -14.121) 16.601 22.174 ( 2.632 6.473 -1.463) 7.139======================= Grid point 309 (110/146) =======================q-point: (-0.36 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.028 ( -1.460 -14.193 17.805) 22.816 2.676 ( -5.960 -1.374 13.864) 15.154 2.921 ( 1.161 1.207 -1.090) 1.998 3.063 ( -0.529 0.823 -0.184) 0.995 3.485 ( 3.064 11.891 2.487) 12.529 3.729 ( -5.720 -11.498 -2.620) 13.107 3.860 ( -4.251 -12.427 -0.595) 13.148 3.988 ( -2.294 -0.467 -6.031) 6.470 4.286 ( -1.235 0.230 0.084) 1.259 6.819 ( 6.782 7.185 -2.211) 10.125 7.973 ( 1.483 1.368 2.396) 3.133 8.078 ( 0.988 2.740 0.137) 2.916 10.782 ( 3.959 -0.682 1.983) 4.480 11.218 ( 0.237 7.312 -4.409) 8.542 11.605 ( -1.813 -1.702 -5.103) 5.677 13.296 ( -0.480 -3.845 3.748) 5.391 13.526 ( -1.255 0.498 -1.743) 2.205 14.266 ( -0.505 -4.828 5.729) 7.509 14.427 ( 2.219 -6.317 3.037) 7.352 15.073 ( -6.009 -1.742 3.541) 7.189 19.160 ( 0.679 0.394 -0.195) 0.809 20.806 ( 2.744 -3.630 7.313) 8.613 21.770 ( -7.708 3.412 -16.052) 18.130 22.363 ( 11.916 15.447 1.926) 19.604======================= Grid point 310 (111/146) =======================q-point: (-0.27 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( -4.547 -15.264 6.409) 17.168 2.728 ( -3.884 -4.736 3.277) 6.947 2.957 ( -4.215 2.763 9.823) 11.040 3.129 ( -0.021 3.643 6.787) 7.703 3.500 ( -10.067 -10.954 -2.550) 15.094 3.617 ( 1.517 9.447 -0.698) 9.594 3.704 ( -2.457 -12.799 -0.616) 13.047 3.847 ( -4.383 -3.551 -5.637) 7.974 4.298 ( 4.316 2.344 -2.999) 5.755 6.955 ( 8.169 8.362 -0.994) 11.732 8.040 ( 1.889 1.899 2.388) 3.588 8.116 ( 1.409 2.959 0.030) 3.278 10.861 ( 4.331 0.539 1.601) 4.649 11.231 ( 1.362 7.341 -2.723) 7.947 11.512 ( -1.819 -1.281 -3.692) 4.310 13.300 ( -1.338 -4.991 3.033) 5.992 13.483 ( -1.778 -0.072 -1.759) 2.502 14.266 ( -2.008 -2.524 1.262) 3.464 14.448 ( 1.752 -7.787 3.097) 8.561 14.990 ( -6.886 -6.551 1.662) 9.649 19.171 ( 0.869 0.619 -0.206) 1.086 20.940 ( 4.493 -4.528 10.210) 12.039 21.458 ( -10.625 0.987 -15.332) 18.680 22.713 ( 15.844 21.522 2.819) 26.873======================= Grid point 311 (112/146) =======================q-point: (-0.18 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( -6.316 -14.604 0.610) 15.923 2.658 ( -4.562 -2.420 0.147) 5.166 3.021 ( -2.428 -2.363 5.027) 6.062 3.151 ( -9.446 -9.665 2.940) 13.831 3.339 ( -10.520 -2.178 6.439) 12.525 3.550 ( 1.421 -9.111 -3.789) 9.969 3.709 ( -2.730 8.445 1.232) 8.960 3.762 ( 2.738 -0.245 0.226) 2.758 4.332 ( 6.041 3.430 -5.821) 9.063 7.102 ( 7.691 7.679 -1.317) 10.948 8.101 ( 1.710 2.118 0.803) 2.838 8.158 ( 1.641 3.157 0.069) 3.559 10.924 ( 2.938 2.224 -0.813) 3.773 11.297 ( 3.339 6.491 0.236) 7.303 11.453 ( -1.013 -1.058 -0.998) 1.772 13.252 ( -3.378 -6.658 0.386) 7.476 13.450 ( -1.291 -0.206 0.042) 1.308 14.228 ( -1.969 -2.460 0.091) 3.152 14.412 ( -2.885 -4.482 -1.094) 5.441 14.870 ( -4.928 -9.998 1.304) 11.223 19.184 ( 0.833 0.851 -0.279) 1.223 21.087 ( 1.136 -6.139 4.643) 7.781 21.170 ( -4.578 -1.995 -4.493) 6.718 23.108 ( 14.962 24.869 0.174) 29.023======================= Grid point 319 (113/146) =======================q-point: (-0.45 0.55 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.051 ( -0.000 -13.157 19.478) 23.505 2.767 ( 0.000 1.004 14.633) 14.667 2.878 ( -0.000 -1.460 -0.914) 1.723 3.069 ( -0.000 -0.515 -2.725) 2.774 3.446 ( 0.000 12.856 4.391) 13.585 3.767 ( -0.000 -12.435 -3.853) 13.018 3.944 ( -0.000 -11.960 -0.985) 12.000 4.002 ( -0.000 0.944 -6.215) 6.286 4.329 ( -0.000 -2.143 -0.080) 2.145 6.731 ( 0.000 7.647 -1.865) 7.871 7.954 ( 0.000 1.387 2.435) 2.802 8.065 ( 0.000 2.710 0.055) 2.711 10.730 ( 0.000 -0.544 2.397) 2.458 11.215 ( 0.000 7.108 -4.652) 8.495 11.630 ( -0.000 -1.900 -5.324) 5.653 13.302 ( -0.000 -3.682 3.821) 5.307 13.541 ( 0.000 0.856 -1.920) 2.102 14.270 ( -0.000 -8.541 10.030) 13.174 14.398 ( -0.000 -2.935 -0.263) 2.947 15.156 ( -0.000 -1.221 3.516) 3.722 19.151 ( 0.000 0.319 -0.072) 0.327 20.770 ( -0.000 -3.295 6.493) 7.281 21.892 ( 0.000 10.328 -14.682) 17.951 22.185 ( 0.000 8.844 0.657) 8.868======================= Grid point 321 (114/146) =======================q-point: (-0.36 -0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.141 ( -2.977 -13.130 11.737) 17.861 2.787 ( -1.000 -7.029 -3.813) 8.059 3.012 ( -1.272 3.759 12.672) 13.279 3.093 ( 2.474 4.772 6.014) 8.066 3.583 ( -0.004 8.792 -2.720) 9.203 3.611 ( 0.307 -11.091 -0.603) 11.112 3.782 ( -3.234 -15.534 -4.302) 16.440 3.922 ( -1.104 -0.005 -5.663) 5.769 4.280 ( -0.913 -3.814 -2.008) 4.406 6.813 ( 2.876 10.505 0.818) 10.923 8.005 ( 0.743 1.981 2.622) 3.369 8.088 ( 0.612 2.818 -0.201) 2.891 10.783 ( 1.655 0.783 3.598) 4.037 11.209 ( 0.424 7.136 -4.304) 8.345 11.548 ( -0.806 -1.586 -4.261) 4.617 13.322 ( -0.437 -4.056 3.777) 5.560 13.511 ( -0.507 -0.009 -2.548) 2.598 14.317 ( -1.967 -5.773 4.921) 7.836 14.384 ( 2.584 -6.529 2.673) 7.514 15.136 ( -3.531 -5.079 0.799) 6.237 19.156 ( 0.269 0.538 0.121) 0.613 20.863 ( 1.548 -2.751 9.076) 9.609 21.703 ( -7.365 6.744 -16.066) 18.917 22.369 ( 9.583 16.404 3.466) 19.311======================= Grid point 322 (115/146) =======================q-point: (-0.27 -0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.084 ( -8.425 -12.663 4.856) 15.966 2.693 ( 1.678 -7.103 -2.158) 7.611 3.065 ( -1.939 1.634 1.162) 2.789 3.305 ( -1.908 -1.922 6.113) 6.686 3.435 ( 3.833 -5.264 -3.842) 7.561 3.553 ( -2.585 -11.835 -4.586) 12.953 3.695 ( 1.784 1.102 0.426) 2.140 3.818 ( -6.835 -0.781 -1.591) 7.061 4.247 ( 2.086 0.061 -0.226) 2.099 6.957 ( 3.718 11.376 1.830) 12.107 8.063 ( 1.124 2.334 1.690) 3.093 8.117 ( 1.378 3.006 -0.462) 3.339 10.863 ( 1.736 1.968 3.158) 4.106 11.227 ( 1.996 7.109 -2.728) 7.871 11.482 ( -1.042 -1.457 -2.093) 2.755 13.319 ( -1.879 -5.203 2.497) 6.069 13.469 ( -0.377 -0.592 -2.152) 2.264 14.277 ( -1.813 -3.454 -0.509) 3.934 14.420 ( 1.460 -7.865 5.072) 9.472 15.026 ( -6.122 -7.394 -0.730) 9.627 19.168 ( 0.391 0.844 0.253) 0.964 20.994 ( 2.948 -4.765 10.499) 11.901 21.414 ( -10.705 3.302 -15.112) 18.811 22.719 ( 14.581 22.627 3.381) 27.129======================= Grid point 332 (116/146) =======================q-point: (-0.36 -0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.232 ( -0.000 -10.180 11.413) 15.293 2.632 ( -0.000 -11.442 -7.673) 13.776 3.118 ( 0.000 4.269 1.615) 4.565 3.279 ( 0.000 6.738 11.741) 13.537 3.375 ( -0.000 -10.214 -14.285) 17.561 3.596 ( -0.000 -19.787 -6.805) 20.925 3.663 ( -0.000 -0.206 -1.305) 1.321 3.955 ( 0.000 7.213 7.652) 10.516 4.199 ( -0.000 -6.559 -4.311) 7.849 6.911 ( 0.000 12.959 3.189) 13.345 8.049 ( 0.000 2.358 2.187) 3.216 8.098 ( 0.000 2.861 -0.880) 2.993 10.841 ( 0.000 1.911 5.003) 5.355 11.201 ( 0.000 7.205 -4.255) 8.368 11.496 ( -0.000 -1.585 -2.454) 2.921 13.344 ( -0.000 -4.427 3.581) 5.694 13.473 ( -0.000 -0.790 -3.249) 3.343 14.307 ( -0.000 -3.888 -2.261) 4.498 14.389 ( -0.000 -8.843 8.556) 12.304 15.113 ( -0.000 -6.380 -1.116) 6.477 19.164 ( 0.000 0.819 0.458) 0.938 20.957 ( -0.000 -3.659 10.164) 10.803 21.587 ( 0.000 6.489 -17.218) 18.400 22.494 ( 0.000 19.990 5.356) 20.695======================= Grid point 333 (117/146) =======================q-point: (-0.27 -0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.192 ( -13.050 -11.655 3.786) 17.902 2.535 ( 9.526 -10.532 -0.776) 14.223 3.053 ( -1.801 -4.750 -17.082) 17.822 3.177 ( 0.778 0.647 -3.936) 4.064 3.320 ( -1.852 -20.411 -4.448) 20.971 3.479 ( 7.567 -0.229 1.961) 7.820 3.602 ( 0.440 -3.952 -2.746) 4.832 3.990 ( -11.240 -2.292 1.218) 11.536 4.259 ( 6.052 8.270 8.962) 13.614 7.063 ( 0.574 13.606 3.891) 14.163 8.088 ( -0.019 2.528 0.330) 2.550 8.113 ( 1.368 2.867 -0.715) 3.256 10.926 ( -0.336 2.845 4.896) 5.673 11.214 ( 2.059 7.194 -3.272) 8.167 11.465 ( -0.347 -1.676 -0.005) 1.711 13.336 ( -2.305 -5.159 1.828) 5.939 13.427 ( 1.057 -1.588 -2.511) 3.153 14.250 ( -0.502 -3.389 -1.416) 3.707 14.430 ( 0.171 -7.991 6.413) 10.247 15.016 ( -3.793 -6.520 -2.931) 8.093 19.179 ( 0.073 1.176 0.701) 1.370 21.070 ( 1.265 -6.063 11.201) 12.800 21.358 ( -7.106 4.122 -15.882) 17.881 22.781 ( 9.128 23.768 3.754) 25.736======================= Grid point 344 (118/146) =======================q-point: (-0.27 -0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( -0.000 -17.059 -9.203) 19.383 2.412 ( -0.000 -11.258 11.883) 16.369 2.679 ( -0.000 -4.085 -29.878) 30.156 3.044 ( -0.000 -24.251 -9.688) 26.114 3.216 ( 0.000 2.108 0.452) 2.156 3.392 ( -0.000 -14.067 1.910) 14.196 3.610 ( 0.000 6.900 1.159) 6.997 3.996 ( -0.000 -6.226 -2.162) 6.590 4.474 ( 0.000 15.643 11.395) 19.353 7.220 ( 0.000 14.285 4.387) 14.943 8.099 ( 0.000 2.840 -2.132) 3.551 8.117 ( 0.000 2.307 0.312) 2.328 11.028 ( 0.000 3.095 6.160) 6.893 11.204 ( 0.000 7.489 -3.698) 8.352 11.467 ( -0.000 -1.861 2.024) 2.749 13.350 ( -0.000 -5.538 2.604) 6.120 13.353 ( -0.000 -2.266 -4.165) 4.741 14.218 ( -0.000 -2.460 -0.366) 2.488 14.453 ( -0.000 -7.507 5.475) 9.291 14.943 ( -0.000 -4.959 -5.741) 7.586 19.200 ( 0.000 1.541 0.998) 1.836 21.166 ( -0.000 -8.345 12.782) 15.265 21.226 ( -0.000 3.451 -15.229) 15.615 22.939 ( 0.000 24.672 1.885) 24.744======================= Grid point 405 (119/146) =======================q-point: ( 0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( -0.000 -0.000 14.628) 14.628 2.035 ( 0.000 -0.000 14.628) 14.628 2.698 ( 0.000 0.000 -36.419) 36.419 3.114 ( -0.000 -0.000 23.037) 23.037 3.323 ( -0.000 -0.000 -1.640) 1.640 3.323 ( 0.000 -0.000 -1.640) 1.640 3.989 ( -0.000 -0.000 7.092) 7.092 3.989 ( 0.000 -0.000 7.092) 7.092 4.158 ( -0.000 -0.000 3.021) 3.021 7.274 ( 0.000 0.000 -11.340) 11.340 8.032 ( -0.000 -0.000 -3.718) 3.718 8.032 ( 0.000 0.000 -3.718) 3.718 11.081 ( 0.000 -0.000 -4.064) 4.064 11.081 ( 0.000 -0.000 -4.064) 4.064 11.826 ( -0.000 -0.000 6.183) 6.183 13.318 ( -0.000 -0.000 3.053) 3.053 13.318 ( 0.000 0.000 3.053) 3.053 14.076 ( 0.000 0.000 6.248) 6.248 14.076 ( 0.000 -0.000 6.248) 6.248 14.472 ( 0.000 0.000 -2.970) 2.970 19.176 ( 0.000 0.000 -1.030) 1.030 21.501 ( -0.000 0.000 -0.389) 0.389 21.501 ( 0.000 -0.000 -0.389) 0.389 22.943 ( 0.000 0.000 -18.945) 18.945======================= Grid point 406 (120/146) =======================q-point: ( 0.36 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.164 ( -6.019 -3.475 -15.686) 17.157 2.168 ( -2.235 -1.290 15.160) 15.379 2.426 ( 12.767 7.371 1.403) 14.809 3.203 ( -6.804 -3.928 -1.770) 8.054 3.346 ( 1.842 1.063 -3.518) 4.111 3.416 ( 0.620 0.358 21.290) 21.302 4.062 ( -0.338 -0.195 4.945) 4.960 4.078 ( -1.516 -0.875 6.433) 6.666 4.193 ( 2.273 1.312 -0.175) 2.630 7.112 ( -0.959 -0.554 -11.562) 11.615 7.976 ( -0.214 -0.124 -3.178) 3.188 8.009 ( 1.438 0.831 -2.990) 3.420 10.962 ( -3.028 -1.748 -3.559) 4.989 11.109 ( 4.581 2.645 -4.145) 6.720 11.875 ( -1.849 -1.068 3.498) 4.098 13.296 ( -3.416 -1.972 3.032) 4.975 13.413 ( 3.195 1.844 2.198) 4.294 14.121 ( -1.741 -1.005 7.630) 7.890 14.251 ( 4.214 2.433 9.424) 10.606 14.445 ( -0.536 -0.309 -0.269) 0.675 19.165 ( 0.137 0.079 -0.755) 0.771 21.264 ( -11.960 -6.905 -3.422) 14.228 21.690 ( 11.469 6.622 -1.514) 13.329 22.695 ( -0.472 -0.273 -18.194) 18.202======================= Grid point 407 (121/146) =======================q-point: (-0.55 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( -7.603 -4.389 -6.796) 11.102 2.341 ( -0.987 -0.570 14.635) 14.679 2.753 ( 15.347 8.861 5.851) 18.663 3.058 ( -7.759 -4.480 -1.245) 9.046 3.301 ( -0.372 -0.215 -4.617) 4.637 3.661 ( -2.822 -1.629 17.829) 18.124 4.101 ( -0.726 -0.419 2.388) 2.530 4.106 ( -1.907 -1.101 3.168) 3.857 4.214 ( 0.252 0.146 -1.120) 1.157 6.962 ( 0.867 0.500 -10.390) 10.438 7.945 ( 0.594 0.343 -2.049) 2.161 8.004 ( 1.761 1.017 -1.939) 2.810 10.892 ( -0.414 -0.239 -2.577) 2.621 11.125 ( 3.935 2.272 -4.479) 6.380 11.854 ( -3.097 -1.788 -0.210) 3.583 13.285 ( -2.716 -1.568 3.176) 4.464 13.480 ( 1.972 1.138 1.196) 2.572 14.202 ( -0.690 -0.398 6.908) 6.954 14.444 ( 2.931 1.692 10.226) 10.772 14.459 ( -0.930 -0.537 5.123) 5.234 19.161 ( 0.401 0.231 -0.538) 0.710 21.035 ( -9.144 -5.279 -3.512) 11.127 21.856 ( 11.003 6.353 -1.461) 12.789 22.450 ( -0.701 -0.405 -18.277) 18.295======================= Grid point 408 (122/146) =======================q-point: (-0.45 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( -6.581 -3.799 13.517) 15.506 2.484 ( -3.921 -2.264 11.763) 12.604 2.936 ( -5.402 -3.119 1.293) 6.370 3.013 ( 8.224 4.748 -1.545) 9.621 3.255 ( 4.012 2.316 -2.958) 5.496 3.754 ( -9.834 -5.678 11.911) 16.457 4.107 ( -1.127 -0.651 1.376) 1.893 4.113 ( 0.616 0.356 -2.172) 2.285 4.160 ( -4.638 -2.678 0.875) 5.427 6.890 ( 5.247 3.029 -7.945) 9.991 7.943 ( 1.311 0.757 -0.562) 1.615 8.017 ( 1.974 1.140 -0.870) 2.440 10.883 ( 2.265 1.308 -1.104) 2.839 11.123 ( 3.222 1.860 -5.052) 6.274 11.773 ( -3.529 -2.037 -3.310) 5.250 13.288 ( -2.034 -1.174 3.450) 4.173 13.508 ( 0.362 0.209 0.157) 0.446 14.255 ( -1.012 -0.584 3.198) 3.405 14.562 ( -0.647 -0.374 12.310) 12.333 14.596 ( 0.313 0.181 8.216) 8.224 19.165 ( 0.750 0.433 -0.426) 0.965 20.887 ( -4.838 -2.793 -0.368) 5.598 22.036 ( 10.504 6.065 1.367) 12.206 22.185 ( -0.218 -0.126 -20.977) 20.978======================= Grid point 409 (123/146) =======================q-point: (-0.36 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.966 ( -4.662 -2.692 28.005) 28.517 2.474 ( -11.234 -6.486 6.970) 14.726 2.948 ( 0.637 0.368 5.828) 5.874 2.948 ( -3.445 -1.989 -9.223) 10.044 3.379 ( 9.792 5.653 -1.357) 11.388 3.645 ( -16.228 -9.369 6.035) 19.686 3.959 ( -9.351 -5.399 -5.755) 12.236 4.096 ( -2.651 -1.530 1.504) 3.410 4.210 ( 5.781 3.338 1.435) 6.828 6.933 ( 9.882 5.705 -5.402) 12.625 7.973 ( 1.934 1.117 0.914) 2.413 8.045 ( 2.105 1.215 -0.099) 2.433 10.939 ( 4.566 2.636 0.770) 5.329 11.102 ( 2.643 1.526 -5.682) 6.450 11.659 ( -3.361 -1.940 -4.728) 6.117 13.305 ( -1.626 -0.939 3.762) 4.205 13.496 ( -1.318 -0.761 -0.737) 1.691 14.261 ( -1.568 -0.905 1.500) 2.352 14.656 ( -2.821 -1.628 3.862) 5.052 14.731 ( -0.858 -0.496 14.356) 14.390 19.175 ( 1.112 0.642 -0.461) 1.364 20.874 ( -0.407 -0.235 5.156) 5.177 21.862 ( -6.297 -3.635 -18.215) 19.612 22.282 ( 17.073 9.857 -0.809) 19.731======================= Grid point 410 (124/146) =======================q-point: (-0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.309 ( -3.035 -1.752 32.830) 33.016 2.341 ( -14.173 -8.183 6.916) 17.766 2.717 ( -7.490 -4.324 -11.512) 14.399 3.055 ( 1.074 0.620 6.712) 6.826 3.398 ( -18.962 -10.948 3.092) 22.113 3.498 ( 7.707 4.450 -3.134) 9.435 3.691 ( -13.511 -7.801 -4.273) 16.176 4.056 ( -4.301 -2.483 1.419) 5.165 4.351 ( 11.695 6.752 -3.580) 13.971 7.063 ( 12.383 7.150 -4.146) 14.888 8.030 ( 2.387 1.378 1.951) 3.377 8.082 ( 2.140 1.236 0.127) 2.475 11.053 ( 6.122 3.534 2.656) 7.551 11.067 ( 2.412 1.393 -6.122) 6.725 11.547 ( -2.739 -1.581 -4.215) 5.269 13.329 ( -1.615 -0.933 4.023) 4.435 13.444 ( -3.058 -1.765 -1.619) 3.885 14.246 ( -1.942 -1.121 0.717) 2.354 14.602 ( -5.371 -3.101 -1.314) 6.339 14.881 ( -2.074 -1.197 11.551) 11.797 19.189 ( 1.334 0.770 -0.687) 1.687 21.001 ( 2.549 1.472 11.072) 11.457 21.502 ( -8.014 -4.627 -17.634) 19.914 22.594 ( 19.954 11.521 0.295) 23.043======================= Grid point 417 (125/146) =======================q-point: ( 0.36 0.36 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( -0.000 -9.066 -7.627) 11.847 2.432 ( 0.000 6.940 11.316) 13.274 2.462 ( 0.000 5.476 11.149) 12.421 3.175 ( -0.000 -6.846 -2.744) 7.376 3.300 ( 0.000 1.436 -3.557) 3.836 3.692 ( 0.000 0.646 20.086) 20.097 4.100 ( -0.000 -3.292 3.237) 4.617 4.158 ( -0.000 0.136 -2.262) 2.266 4.188 ( 0.000 2.990 4.783) 5.641 6.955 ( -0.000 -0.916 -11.929) 11.964 7.937 ( -0.000 -0.963 -1.996) 2.216 7.979 ( 0.000 2.151 -2.018) 2.949 10.901 ( -0.000 -5.374 -3.115) 6.211 11.070 ( 0.000 6.885 -4.053) 7.989 11.896 ( -0.000 -2.015 -0.316) 2.039 13.331 ( -0.000 -3.788 2.593) 4.591 13.440 ( 0.000 3.749 1.555) 4.058 14.208 ( -0.000 -6.577 9.773) 11.780 14.394 ( 0.000 4.926 6.651) 8.276 14.485 ( 0.000 3.880 7.135) 8.122 19.157 ( -0.000 0.080 -0.537) 0.543 21.200 ( -0.000 -14.956 -4.536) 15.628 21.657 ( 0.000 16.347 -5.349) 17.200 22.470 ( -0.000 -2.020 -15.450) 15.581======================= Grid point 418 (126/146) =======================q-point: (-0.55 0.36 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( -2.348 -8.008 10.630) 13.514 2.564 ( -3.905 3.769 11.652) 12.854 2.731 ( 9.726 5.483 7.143) 13.255 3.075 ( -3.068 -4.267 -1.682) 5.518 3.248 ( -0.862 -0.004 -4.621) 4.701 3.918 ( -3.191 -1.546 16.431) 16.809 4.095 ( 0.336 -2.063 -1.277) 2.449 4.124 ( -0.324 -2.019 -0.706) 2.163 4.247 ( -1.635 1.915 2.260) 3.383 6.808 ( 1.458 0.381 -10.767) 10.872 7.918 ( 0.594 -0.418 -0.602) 0.943 7.981 ( 0.744 2.237 -0.969) 2.549 10.837 ( 1.061 -3.906 -1.959) 4.497 11.073 ( 0.921 6.448 -4.326) 7.819 11.842 ( -1.601 -2.411 -3.652) 4.660 13.330 ( -1.145 -2.821 2.660) 4.043 13.487 ( 0.925 2.641 0.537) 2.849 14.284 ( -1.083 -5.838 8.939) 10.731 14.472 ( 2.892 -3.763 5.600) 7.341 14.676 ( -2.099 10.392 11.862) 15.910 19.153 ( 0.224 0.134 -0.363) 0.447 21.012 ( -3.944 -10.726 -3.443) 11.935 21.741 ( 7.988 14.331 -7.906) 18.212 22.260 ( -2.087 -2.007 -12.411) 12.744======================= Grid point 419 (127/146) =======================q-point: (-0.45 0.36 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.046 ( -2.030 -6.952 24.113) 25.178 2.667 ( -4.693 -1.299 8.989) 10.223 2.885 ( 4.339 -3.742 0.979) 5.812 3.052 ( -2.461 5.733 0.445) 6.255 3.189 ( 2.801 2.947 -3.091) 5.107 3.966 ( -8.704 -5.959 6.527) 12.404 4.055 ( 0.873 0.477 -5.168) 5.263 4.115 ( -0.762 -6.373 3.680) 7.399 4.239 ( -4.507 1.410 1.738) 5.032 6.737 ( 5.311 3.227 -8.098) 10.208 7.930 ( 1.327 0.264 0.738) 1.541 8.003 ( 1.204 2.219 -0.220) 2.534 10.828 ( 3.489 -2.394 -0.343) 4.245 11.069 ( 0.545 6.157 -4.738) 7.788 11.738 ( -2.514 -2.323 -5.243) 6.261 13.336 ( -0.932 -2.071 2.980) 3.746 13.509 ( 0.161 1.397 -0.453) 1.477 14.317 ( -2.840 -3.534 5.361) 7.021 14.576 ( 5.140 -8.459 8.262) 12.893 14.851 ( -4.759 9.285 10.242) 14.621 19.155 ( 0.507 0.235 -0.284) 0.627 20.896 ( -1.311 -5.995 0.950) 6.209 21.820 ( 9.404 10.870 -15.365) 21.040 22.092 ( -2.097 0.725 -4.226) 4.773======================= Grid point 420 (128/146) =======================q-point: (-0.36 0.36 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.315 ( -0.055 -10.146 24.797) 26.792 2.654 ( -8.850 -4.147 9.443) 13.590 2.881 ( -2.991 -0.604 -4.476) 5.417 3.019 ( -1.170 2.280 1.541) 2.990 3.310 ( 6.891 8.595 -0.310) 11.021 3.828 ( -12.857 -9.184 2.660) 16.023 3.962 ( -5.440 -2.649 -4.987) 7.841 4.078 ( 1.532 -7.531 -0.497) 7.702 4.226 ( -3.181 2.831 1.397) 4.482 6.780 ( 9.426 6.112 -5.221) 12.388 7.972 ( 1.992 0.872 1.710) 2.766 8.036 ( 1.512 2.262 0.019) 2.721 10.877 ( 5.821 -1.879 0.852) 6.176 11.057 ( 0.076 6.851 -4.469) 8.180 11.620 ( -2.757 -2.029 -4.905) 5.981 13.354 ( -0.597 -1.860 3.335) 3.865 13.498 ( -1.146 0.306 -1.237) 1.714 14.310 ( -3.239 -2.508 3.117) 5.147 14.651 ( 2.094 -8.921 4.460) 10.191 14.961 ( -4.820 4.315 8.801) 10.923 19.161 ( 0.799 0.377 -0.335) 0.945 20.927 ( 2.776 -2.676 7.162) 8.134 21.651 ( -2.842 1.293 -19.038) 19.293 22.195 ( 10.732 11.372 0.584) 15.648======================= Grid point 421 (129/146) =======================q-point: (-0.27 0.36 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.373 ( -2.600 -18.443 3.744) 18.998 2.709 ( -11.338 3.552 -5.314) 13.015 2.805 ( -5.062 -0.610 26.398) 26.886 3.092 ( 2.928 2.117 2.797) 4.569 3.425 ( 4.606 7.827 -2.899) 9.533 3.597 ( -16.735 -11.345 3.216) 20.472 3.763 ( -11.805 -5.899 -2.363) 13.406 4.038 ( 3.934 -9.026 -2.133) 10.074 4.239 ( 1.881 6.976 -3.757) 8.144 6.909 ( 11.565 7.511 -3.739) 14.288 8.033 ( 2.465 1.207 1.929) 3.355 8.072 ( 1.637 2.465 -0.198) 2.966 10.935 ( 4.884 -1.512 -2.277) 5.597 11.086 ( 2.434 7.492 0.054) 7.878 11.520 ( -2.373 -1.656 -3.015) 4.179 13.375 ( -0.600 -2.750 3.140) 4.217 13.454 ( -2.681 -0.129 -1.602) 3.126 14.284 ( -3.139 -2.189 1.720) 4.196 14.598 ( -3.847 -6.084 -2.192) 7.524 15.024 ( -2.991 -2.530 6.960) 7.987 19.170 ( 0.977 0.526 -0.516) 1.224 21.100 ( 6.020 -2.130 12.593) 14.120 21.351 ( -6.883 -1.366 -15.900) 17.379 22.470 ( 15.537 16.534 -0.636) 22.698======================= Grid point 429 (130/146) =======================q-point: ( 0.45 -0.55 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.072 ( -0.000 -8.447 22.835) 24.347 2.760 ( 0.000 3.457 6.653) 7.497 2.769 ( 0.000 -1.349 7.517) 7.637 3.067 ( 0.000 3.441 0.532) 3.482 3.190 ( -0.000 -1.076 -4.876) 4.993 4.035 ( -0.000 -0.809 -5.583) 5.641 4.091 ( -0.000 -5.235 -0.226) 5.240 4.114 ( -0.000 -4.265 11.564) 12.326 4.302 ( 0.000 1.956 2.359) 3.065 6.670 ( -0.000 2.025 -9.391) 9.607 7.913 ( 0.000 -0.042 0.736) 0.737 7.987 ( 0.000 2.560 -0.251) 2.572 10.782 ( -0.000 -3.510 -0.739) 3.587 11.063 ( 0.000 7.083 -4.363) 8.319 11.772 ( -0.000 -2.547 -5.501) 6.062 13.349 ( -0.000 -2.733 2.594) 3.768 13.503 ( 0.000 2.603 -0.319) 2.622 14.380 ( -0.000 -8.256 11.270) 13.971 14.480 ( -0.000 -3.945 3.725) 5.426 14.915 ( 0.000 9.983 10.319) 14.357 19.148 ( 0.000 0.085 -0.212) 0.229 20.919 ( -0.000 -9.799 -1.289) 9.883 21.677 ( 0.000 15.167 -10.911) 18.684 22.133 ( -0.000 -0.198 -8.150) 8.152======================= Grid point 431 (131/146) =======================q-point: (-0.45 0.45 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.324 ( -0.370 -10.519 23.937) 26.149 2.802 ( -3.062 -4.612 7.960) 9.696 2.865 ( 1.544 1.065 3.416) 3.897 3.097 ( -2.409 -0.668 -3.994) 4.712 3.180 ( 2.944 10.866 2.582) 11.550 3.941 ( 1.064 -1.365 -8.574) 8.747 4.031 ( -2.519 -5.973 -0.004) 6.482 4.140 ( -2.781 -7.830 2.207) 8.598 4.337 ( -3.213 -0.634 4.442) 5.519 6.613 ( 3.466 5.218 -6.275) 8.867 7.936 ( 0.777 0.674 1.650) 1.945 8.009 ( 0.568 2.605 -0.013) 2.666 10.775 ( 2.116 -2.131 0.852) 3.122 11.056 ( -0.001 7.000 -4.463) 8.302 11.672 ( -1.185 -2.386 -5.398) 6.020 13.365 ( -0.260 -2.182 2.851) 3.599 13.510 ( -0.031 1.672 -1.185) 2.050 14.411 ( -4.652 -5.601 6.330) 9.648 14.544 ( 5.271 -8.193 6.474) 11.697 15.071 ( -2.735 6.699 6.606) 9.797 19.148 ( 0.232 0.121 -0.127) 0.291 20.878 ( 0.968 -5.514 3.642) 6.679 21.638 ( 1.998 11.901 -14.429) 18.810 22.066 ( 1.028 3.975 -3.238) 5.230======================= Grid point 432 (132/146) =======================q-point: (-0.36 0.45 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.438 ( -2.618 -16.198 9.582) 19.001 2.863 ( -2.372 -3.672 2.923) 5.259 2.933 ( -3.335 2.969 13.038) 13.781 3.046 ( 0.791 1.744 1.167) 2.242 3.332 ( 2.276 11.539 1.357) 11.839 3.823 ( 1.829 -3.879 -9.080) 10.041 3.937 ( -5.178 -5.656 -0.870) 7.717 4.022 ( -4.697 -10.237 -1.643) 11.382 4.314 ( -4.837 -2.838 2.295) 6.060 6.670 ( 6.888 8.167 -3.069) 11.116 7.982 ( 1.488 1.332 1.937) 2.782 8.037 ( 1.050 2.688 -0.249) 2.896 10.819 ( 3.551 -1.062 1.596) 4.035 11.055 ( 0.524 7.234 -3.616) 8.104 11.575 ( -1.773 -2.182 -3.749) 4.686 13.385 ( -0.253 -2.121 3.055) 3.728 13.494 ( -0.695 0.661 -1.856) 2.089 14.376 ( -4.151 -4.245 2.841) 6.582 14.610 ( 2.562 -9.108 4.399) 10.434 15.120 ( -4.068 1.485 3.484) 5.558 19.153 ( 0.437 0.270 -0.124) 0.529 20.965 ( 4.039 -2.901 9.181) 10.441 21.489 ( -3.655 5.632 -16.045) 17.393 22.166 ( 8.252 12.309 -0.062) 14.820======================= Grid point 433 (133/146) =======================q-point: (-0.27 0.45 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.315 ( -6.219 -16.071 0.004) 17.233 2.779 ( -5.361 -2.756 -0.750) 6.074 3.037 ( 0.787 0.395 2.587) 2.733 3.230 ( 0.121 3.919 16.581) 17.038 3.410 ( 0.489 8.888 -4.051) 9.780 3.690 ( -5.415 -9.182 -1.192) 10.727 3.805 ( -3.746 -3.345 -4.679) 6.864 3.866 ( -2.506 -10.156 -1.811) 10.616 4.263 ( -2.570 -1.307 0.369) 2.907 6.805 ( 8.380 9.368 -1.559) 12.666 8.036 ( 1.770 1.723 0.842) 2.610 8.069 ( 1.576 2.896 -0.169) 3.301 10.864 ( 2.247 0.393 -0.859) 2.437 11.104 ( 3.307 6.849 0.095) 7.606 11.505 ( -1.675 -1.990 -1.095) 2.822 13.392 ( -1.298 -3.332 1.222) 3.779 13.463 ( -0.919 0.293 -0.712) 1.199 14.325 ( -3.202 -3.720 1.106) 5.031 14.571 ( -3.263 -6.261 -1.224) 7.166 15.097 ( -3.261 -4.704 2.221) 6.140 19.160 ( 0.547 0.509 -0.192) 0.771 21.150 ( 5.174 -3.170 8.930) 10.796 21.255 ( -5.173 0.906 -9.797) 11.116 22.419 ( 12.586 19.506 -0.443) 23.218======================= Grid point 442 (134/146) =======================q-point: (-0.45 -0.45 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.478 ( -0.000 -14.953 13.259) 19.985 2.899 ( -0.000 -1.251 0.963) 1.579 2.951 ( 0.000 0.848 14.684) 14.709 3.041 ( -0.000 -1.040 -3.198) 3.363 3.308 ( 0.000 12.803 4.630) 13.614 3.780 ( -0.000 -1.584 -12.513) 12.613 4.002 ( -0.000 -7.387 0.926) 7.444 4.093 ( -0.000 -9.942 -2.067) 10.154 4.387 ( -0.000 -4.596 2.162) 5.079 6.580 ( 0.000 8.505 -2.750) 8.939 7.963 ( 0.000 1.374 1.975) 2.405 8.023 ( 0.000 2.692 -0.290) 2.708 10.773 ( -0.000 -0.743 2.494) 2.602 11.049 ( 0.000 6.944 -4.419) 8.231 11.599 ( -0.000 -2.388 -4.034) 4.688 13.389 ( -0.000 -1.934 2.928) 3.509 13.501 ( 0.000 1.140 -1.913) 2.227 14.466 ( -0.000 -5.972 0.453) 5.989 14.534 ( -0.000 -8.949 9.749) 13.234 15.180 ( 0.000 3.019 2.012) 3.628 19.147 ( 0.000 0.166 0.024) 0.168 20.913 ( -0.000 -2.837 7.796) 8.296 21.533 ( 0.000 11.390 -14.641) 18.550 22.062 ( 0.000 7.049 -1.061) 7.128======================= Grid point 443 (135/146) =======================q-point: (-0.36 -0.45 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.472 ( -4.729 -14.574 6.920) 16.812 2.839 ( -0.345 -6.419 -2.924) 7.062 3.033 ( -0.327 2.070 0.568) 2.172 3.171 ( 2.829 5.326 10.965) 12.514 3.406 ( 0.346 6.051 -6.377) 8.797 3.659 ( 1.322 1.890 -1.982) 3.041 3.935 ( -3.955 -11.032 -0.729) 11.742 3.964 ( -1.618 -10.027 -0.824) 10.190 4.332 ( -1.952 -6.443 -1.226) 6.843 6.660 ( 2.966 11.126 0.390) 11.521 8.004 ( 0.658 1.964 1.608) 2.622 8.040 ( 0.661 2.777 -0.801) 2.965 10.821 ( 0.959 0.496 3.340) 3.510 11.049 ( 1.034 6.973 -3.677) 7.950 11.538 ( -0.759 -2.431 -1.691) 3.057 13.411 ( -0.309 -2.098 2.736) 3.462 13.476 ( -0.190 0.335 -2.374) 2.405 14.400 ( -2.194 -5.673 -0.594) 6.112 14.591 ( 0.706 -8.615 6.381) 10.744 15.175 ( -2.159 -0.799 -1.337) 2.662 19.151 ( 0.139 0.389 0.139) 0.436 21.039 ( 2.380 -2.178 11.546) 11.988 21.388 ( -3.584 7.602 -14.896) 17.103 22.173 ( 5.894 13.630 1.007) 14.884======================= Grid point 454 (136/146) =======================q-point: (-0.36 -0.36 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.526 ( -0.000 -10.818 8.994) 14.068 2.707 ( -0.000 -10.728 -5.734) 12.164 3.070 ( 0.000 3.943 0.275) 3.952 3.164 ( -0.000 -1.781 -24.307) 24.372 3.291 ( 0.000 6.932 4.752) 8.404 3.766 ( 0.000 -2.092 7.232) 7.529 3.802 ( -0.000 -17.524 -4.262) 18.035 3.988 ( 0.000 1.082 7.908) 7.982 4.248 ( -0.000 -7.803 -4.239) 8.880 6.757 ( 0.000 13.234 3.032) 13.577 8.035 ( 0.000 2.411 1.097) 2.649 8.039 ( 0.000 2.796 -1.585) 3.214 10.883 ( 0.000 1.606 5.120) 5.366 11.040 ( 0.000 6.972 -3.973) 8.024 11.518 ( -0.000 -2.711 0.749) 2.813 13.434 ( -0.000 -2.304 2.556) 3.441 13.440 ( -0.000 -0.420 -3.108) 3.136 14.348 ( -0.000 -5.376 -2.222) 5.817 14.614 ( -0.000 -8.265 5.914) 10.163 15.134 ( -0.000 -2.015 -5.172) 5.551 19.158 ( 0.000 0.701 0.374) 0.794 21.174 ( 0.000 -3.479 14.103) 14.526 21.274 ( 0.000 6.776 -14.640) 16.132 22.264 ( 0.000 17.216 1.988) 17.330======================= Grid point 539 (137/146) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( -0.000 -0.000 7.899) 7.899 2.556 ( -0.000 -0.000 11.479) 11.479 2.556 ( 0.000 -0.000 11.479) 11.479 3.213 ( -0.000 0.000 -3.737) 3.737 3.213 ( 0.000 -0.000 -3.737) 3.737 3.950 ( -0.000 -0.000 19.189) 19.189 4.105 ( 0.000 0.000 -4.497) 4.497 4.196 ( -0.000 0.000 2.759) 2.759 4.196 ( 0.000 -0.000 2.759) 2.759 6.799 ( 0.000 0.000 -12.416) 12.416 7.935 ( -0.000 -0.000 -0.859) 0.859 7.935 ( 0.000 -0.000 -0.859) 0.859 10.934 ( -0.000 -0.000 -3.281) 3.281 10.934 ( 0.000 0.000 -3.281) 3.281 11.882 ( 0.000 0.000 -3.994) 3.994 13.409 ( -0.000 0.000 1.484) 1.484 13.409 ( 0.000 0.000 1.484) 1.484 14.445 ( -0.000 0.000 11.324) 11.324 14.445 ( 0.000 0.000 11.324) 11.324 14.531 ( -0.000 -0.000 6.072) 6.072 19.150 ( 0.000 0.000 -0.331) 0.331 21.344 ( -0.000 0.000 -6.701) 6.701 21.344 ( 0.000 -0.000 -6.701) 6.701 22.298 ( 0.000 0.000 -12.930) 12.930======================= Grid point 540 (138/146) =======================q-point: (-0.55 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.178 ( -3.180 -1.836 21.610) 21.920 2.685 ( -0.374 -0.216 10.456) 10.465 2.761 ( 6.504 3.755 8.033) 10.997 3.104 ( -4.296 -2.480 -2.888) 5.739 3.182 ( -0.154 -0.089 -4.739) 4.742 4.035 ( 0.408 0.235 -6.546) 6.563 4.141 ( -4.613 -2.664 9.083) 10.530 4.202 ( -0.801 -0.462 8.316) 8.368 4.247 ( 0.393 0.227 0.814) 0.932 6.652 ( 1.533 0.885 -11.186) 11.325 7.921 ( -0.117 -0.067 0.320) 0.348 7.951 ( 1.439 0.831 -0.072) 1.663 10.853 ( -1.470 -0.849 -1.786) 2.464 10.952 ( 3.334 1.925 -3.720) 5.353 11.802 ( -1.492 -0.861 -5.833) 6.082 13.389 ( -1.967 -1.136 1.733) 2.857 13.462 ( 2.110 1.218 0.321) 2.457 14.464 ( -7.057 -4.075 8.303) 11.634 14.660 ( 3.044 1.757 9.675) 10.294 14.673 ( 3.147 1.817 10.210) 10.838 19.148 ( 0.110 0.064 -0.173) 0.215 21.086 ( -8.555 -4.940 -4.208) 10.738 21.452 ( 12.530 7.234 -9.524) 17.322 22.138 ( -1.339 -0.773 -9.516) 9.641======================= Grid point 541 (139/146) =======================q-point: (-0.45 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.450 ( -3.100 -1.790 26.981) 27.217 2.793 ( -2.008 -1.159 7.682) 8.024 2.940 ( 2.777 1.604 3.143) 4.491 3.011 ( -2.913 -1.682 -0.807) 3.459 3.113 ( 1.749 1.010 -3.689) 4.206 3.951 ( 1.778 1.027 -9.080) 9.309 4.091 ( -6.555 -3.785 1.752) 7.769 4.221 ( -3.032 -1.751 -1.429) 3.782 4.305 ( -4.916 -2.838 10.511) 11.946 6.580 ( 5.455 3.149 -8.124) 10.280 7.938 ( 0.915 0.528 1.231) 1.622 7.978 ( 1.711 0.988 0.137) 1.980 10.843 ( 1.516 0.875 0.249) 1.768 10.948 ( 2.436 1.407 -4.315) 5.151 11.693 ( -2.353 -1.359 -5.509) 6.142 13.389 ( -1.104 -0.638 2.207) 2.549 13.486 ( 1.085 0.626 -0.707) 1.438 14.440 ( -6.467 -3.734 5.698) 9.393 14.779 ( -0.733 -0.423 5.111) 5.180 14.870 ( 3.046 1.759 11.066) 11.611 19.149 ( 0.261 0.151 -0.128) 0.328 20.970 ( -2.698 -1.558 1.634) 3.518 21.497 ( 9.976 5.760 -14.083) 18.194 22.029 ( 0.371 0.214 -4.182) 4.204======================= Grid point 542 (140/146) =======================q-point: (-0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.698 ( -4.695 -2.710 10.695) 11.990 2.786 ( -7.502 -4.331 4.653) 9.833 2.919 ( -4.457 -2.573 10.898) 12.053 3.014 ( 2.031 1.172 1.294) 2.678 3.206 ( 7.572 4.372 -0.202) 8.746 3.864 ( 3.228 1.863 -10.678) 11.310 3.977 ( -10.449 -6.033 2.422) 12.307 4.114 ( -5.050 -2.915 -3.892) 7.010 4.305 ( -7.433 -4.291 6.271) 10.630 6.625 ( 9.524 5.499 -4.752) 11.980 7.981 ( 1.817 1.049 1.688) 2.693 8.009 ( 1.942 1.121 -0.250) 2.256 10.909 ( 4.225 2.439 2.394) 5.435 10.923 ( 1.705 0.984 -4.852) 5.236 11.589 ( -2.630 -1.519 -3.591) 4.703 13.408 ( -0.507 -0.293 2.723) 2.785 13.479 ( -0.267 -0.154 -1.581) 1.611 14.398 ( -5.638 -3.255 3.588) 7.433 14.762 ( -4.609 -2.661 -0.822) 5.385 15.042 ( 1.351 0.780 8.996) 9.130 19.153 ( 0.446 0.258 -0.216) 0.558 21.041 ( 2.783 1.607 8.819) 9.387 21.393 ( 1.889 1.091 -16.452) 16.595 22.075 ( 8.641 4.989 -0.777) 10.008======================= Grid point 551 (141/146) =======================q-point: ( 0.45 -0.55 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.492 ( 0.000 -4.845 26.168) 26.613 2.816 ( 0.000 1.129 6.491) 6.588 2.849 ( 0.000 4.816 8.666) 9.914 3.061 ( -0.000 -3.883 -2.570) 4.657 3.134 ( -0.000 0.388 -4.220) 4.237 3.927 ( -0.000 0.510 -10.018) 10.031 4.177 ( -0.000 -4.636 0.667) 4.683 4.246 ( -0.000 -0.565 0.252) 0.618 4.377 ( 0.000 -1.248 12.295) 12.358 6.512 ( -0.000 2.186 -9.560) 9.807 7.927 ( 0.000 -0.282 0.991) 1.030 7.955 ( 0.000 1.792 0.318) 1.820 10.819 ( -0.000 -2.921 -0.941) 3.069 10.922 ( 0.000 5.055 -3.269) 6.019 11.725 ( -0.000 -1.384 -5.826) 5.988 13.408 ( -0.000 -1.771 1.433) 2.279 13.464 ( 0.000 2.129 -0.179) 2.136 14.619 ( -0.000 -6.580 5.419) 8.524 14.638 ( -0.000 -6.900 10.267) 12.370 14.883 ( 0.000 11.067 8.187) 13.766 19.146 ( 0.000 0.015 -0.042) 0.045 21.030 ( -0.000 -8.418 -2.481) 8.775 21.331 ( 0.000 12.625 -9.589) 15.853 22.037 ( -0.000 0.021 -6.531) 6.531======================= Grid point 553 (142/146) =======================q-point: (-0.45 0.45 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.744 ( -0.746 -8.753 16.997) 19.133 2.895 ( 0.186 0.898 4.310) 4.407 2.976 ( -1.519 -3.507 7.864) 8.744 3.054 ( -2.333 2.026 0.119) 3.092 3.077 ( 1.869 5.809 1.188) 6.217 3.786 ( 1.730 1.081 -13.740) 13.890 4.135 ( -2.749 -5.162 1.323) 5.996 4.213 ( -2.020 -2.983 -1.878) 4.063 4.465 ( -3.850 -4.341 7.515) 9.494 6.456 ( 3.535 4.855 -5.798) 8.348 7.947 ( 0.726 0.496 1.339) 1.602 7.976 ( 0.657 1.802 0.029) 1.918 10.813 ( 2.050 -1.555 0.699) 2.666 10.916 ( 0.045 4.943 -3.250) 5.916 11.640 ( -1.129 -1.717 -4.049) 4.540 13.416 ( -0.218 -0.854 1.799) 2.003 13.473 ( 0.388 1.230 -1.032) 1.652 14.560 ( -6.681 -6.246 4.256) 10.087 14.758 ( 4.544 -7.911 5.642) 10.727 15.033 ( -0.812 8.604 4.993) 9.981 19.147 ( 0.096 0.027 -0.017) 0.101 20.990 ( 1.040 -2.988 3.477) 4.701 21.305 ( 3.004 9.255 -11.517) 15.077 21.981 ( 0.745 1.878 -2.979) 3.599======================= Grid point 554 (143/146) =======================q-point: (-0.36 0.45 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.716 ( -6.102 -12.476 -0.039) 13.888 2.898 ( -3.906 -2.012 0.747) 4.456 3.010 ( 0.277 0.793 0.273) 0.883 3.112 ( 4.308 4.027 5.597) 8.131 3.252 ( -1.440 4.549 11.634) 12.575 3.656 ( 5.043 2.602 -12.734) 13.941 4.066 ( -5.851 -6.635 2.562) 9.210 4.103 ( -4.924 -5.662 -2.857) 8.029 4.423 ( -6.199 -6.037 2.750) 9.079 6.519 ( 6.865 7.247 -2.017) 10.184 7.984 ( 1.495 1.033 0.870) 2.015 7.998 ( 1.126 1.981 -0.310) 2.299 10.842 ( 1.876 -0.586 -0.922) 2.170 10.933 ( 2.181 5.167 0.046) 5.609 11.572 ( -1.738 -1.899 -1.307) 2.887 13.438 ( 0.134 -0.600 2.016) 2.107 13.462 ( -0.261 0.470 -1.669) 1.753 14.480 ( -5.516 -5.518 2.025) 8.061 14.749 ( -2.644 -6.027 -1.147) 6.681 15.131 ( 0.989 2.862 3.367) 4.529 19.148 ( 0.187 0.135 -0.077) 0.243 21.109 ( 5.307 0.099 8.588) 10.096 21.220 ( -0.187 5.248 -11.132) 12.308 22.023 ( 4.971 6.350 -0.550) 8.082======================= Grid point 564 (144/146) =======================q-point: (-0.45 -0.45 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.803 ( -0.000 -11.934 5.558) 13.165 2.929 ( -0.000 -0.487 1.042) 1.150 3.022 ( -0.000 -1.820 -2.491) 3.085 3.050 ( 0.000 4.120 2.868) 5.020 3.274 ( 0.000 4.755 12.192) 13.087 3.590 ( -0.000 2.291 -12.951) 13.152 4.132 ( -0.000 -6.064 2.149) 6.433 4.169 ( -0.000 -5.258 -2.590) 5.861 4.509 ( -0.000 -7.191 1.759) 7.403 6.430 ( 0.000 7.594 -1.501) 7.741 7.965 ( 0.000 1.156 1.146) 1.627 7.983 ( 0.000 1.936 -0.550) 2.013 10.813 ( 0.000 -0.257 2.303) 2.317 10.911 ( 0.000 4.914 -3.074) 5.797 11.596 ( -0.000 -2.099 -1.526) 2.595 13.435 ( 0.000 -0.385 1.800) 1.841 13.463 ( 0.000 0.816 -1.564) 1.764 14.575 ( -0.000 -8.469 -0.301) 8.474 14.758 ( -0.000 -6.647 6.207) 9.095 15.119 ( 0.000 6.425 -0.698) 6.463 19.146 ( 0.000 0.044 0.044) 0.062 21.038 ( 0.000 0.234 7.854) 7.858 21.217 ( 0.000 8.176 -10.529) 13.331 21.968 ( 0.000 3.667 -0.924) 3.782======================= Grid point 683 (145/146) =======================q-point: ( 0.45 0.45 -0.55)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.883 ( -0.000 -0.000 4.484) 4.484 2.883 ( -0.000 -0.000 4.484) 4.484 2.886 ( -0.000 -0.000 26.991) 26.991 3.076 ( -0.000 0.000 -2.271) 2.271 3.076 ( 0.000 0.000 -2.271) 2.271 3.763 ( 0.000 0.000 -14.464) 14.464 4.229 ( 0.000 0.000 -0.196) 0.196 4.229 ( 0.000 -0.000 -0.196) 0.196 4.543 ( -0.000 -0.000 9.418) 9.418 6.380 ( 0.000 0.000 -7.215) 7.215 7.944 ( -0.000 -0.000 0.650) 0.650 7.944 ( 0.000 0.000 0.650) 0.650 10.839 ( -0.000 0.000 -1.367) 1.367 10.839 ( 0.000 0.000 -1.367) 1.367 11.667 ( 0.000 0.000 -4.229) 4.229 13.440 ( -0.000 -0.000 0.305) 0.305 13.440 ( 0.000 0.000 0.305) 0.305 14.785 ( -0.000 -0.000 4.484) 4.484 14.822 ( -0.000 0.000 6.002) 6.002 14.822 ( 0.000 -0.000 6.002) 6.002 19.146 ( -0.000 -0.000 0.034) 0.034 21.095 ( -0.000 0.000 -4.296) 4.296 21.095 ( 0.000 -0.000 -4.296) 4.296 21.967 ( 0.000 0.000 -4.041) 4.041======================= Grid point 686 (146/146) =======================q-point: (-0.45 0.45 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 6.24e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.927 ( -0.529 -0.305 2.164) 2.249 2.927 ( 0.419 0.242 1.354) 1.438 3.033 ( -1.773 -1.023 -1.753) 2.695 3.035 ( -2.005 -1.157 0.314) 2.336 3.218 ( 0.432 0.249 19.812) 19.818 3.566 ( 1.930 1.114 -15.983) 16.137 4.201 ( -2.574 -1.486 1.188) 3.201 4.216 ( -1.819 -1.050 -1.453) 2.554 4.594 ( -3.978 -2.297 3.254) 5.629 6.345 ( 3.660 2.113 -2.511) 4.915 7.955 ( 0.651 0.376 0.700) 1.027 7.959 ( 0.755 0.436 -0.165) 0.887 10.835 ( 1.475 0.852 0.954) 1.953 10.837 ( 0.628 0.362 -1.881) 2.015 11.620 ( -1.067 -0.616 -1.487) 1.931 13.440 ( -0.044 -0.025 0.964) 0.965 13.450 ( 0.483 0.279 -0.756) 0.939 14.695 ( -8.797 -5.079 2.340) 10.424 14.868 ( -1.838 -1.061 -0.270) 2.140 14.983 ( 7.012 4.048 3.499) 8.820 19.146 ( -0.002 -0.001 0.007) 0.008 21.051 ( 1.258 0.726 3.373) 3.672 21.101 ( 3.365 1.943 -6.387) 7.476 21.937 ( 0.753 0.434 -1.178) 1.463=================== 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 3/31944 10.0 194.455 194.455 350.593 0.000 -0.000 -0.000 3/31944 20.0 69.324 69.324 122.873 0.000 -0.000 -0.000 3/31944 30.0 34.853 34.853 59.725 0.000 -0.000 -0.000 3/31944 40.0 23.701 23.701 40.437 0.000 -0.000 -0.000 3/31944 50.0 18.382 18.382 31.338 0.000 -0.000 -0.000 3/31944 60.0 15.142 15.142 25.791 0.000 -0.000 -0.000 3/31944 70.0 12.901 12.901 21.942 0.000 -0.000 -0.000 3/31944 80.0 11.245 11.245 19.087 0.000 -0.000 -0.000 3/31944 90.0 9.967 9.967 16.881 0.000 -0.000 -0.000 3/31944 100.0 8.953 8.953 15.127 0.000 -0.000 -0.000 3/31944 110.0 8.129 8.129 13.703 0.000 -0.000 -0.000 3/31944 120.0 7.448 7.448 12.526 0.000 -0.000 -0.000 3/31944 130.0 6.876 6.876 11.539 0.000 -0.000 -0.000 3/31944 140.0 6.389 6.389 10.700 0.000 -0.000 -0.000 3/31944 150.0 5.970 5.970 9.979 0.000 -0.000 -0.000 3/31944 160.0 5.606 5.606 9.354 0.000 -0.000 -0.000 3/31944 170.0 5.287 5.287 8.807 0.000 -0.000 -0.000 3/31944 180.0 5.004 5.004 8.324 0.000 -0.000 -0.000 3/31944 190.0 4.753 4.753 7.895 0.000 -0.000 -0.000 3/31944 200.0 4.527 4.527 7.510 0.000 -0.000 -0.000 3/31944 210.0 4.324 4.324 7.164 0.000 -0.000 -0.000 3/31944 220.0 4.139 4.139 6.851 0.000 -0.000 -0.000 3/31944 230.0 3.971 3.971 6.566 0.000 -0.000 -0.000 3/31944 240.0 3.817 3.817 6.306 0.000 -0.000 -0.000 3/31944 250.0 3.675 3.675 6.067 0.000 -0.000 -0.000 3/31944 260.0 3.544 3.544 5.846 0.000 -0.000 -0.000 3/31944 270.0 3.423 3.423 5.642 0.000 -0.000 -0.000 3/31944 280.0 3.310 3.310 5.453 0.000 -0.000 -0.000 3/31944 290.0 3.205 3.205 5.276 0.000 -0.000 -0.000 3/31944 300.0 3.107 3.107 5.112 0.000 -0.000 -0.000 3/31944 310.0 3.015 3.015 4.957 0.000 -0.000 -0.000 3/31944 320.0 2.928 2.928 4.813 0.000 -0.000 -0.000 3/31944 330.0 2.847 2.847 4.676 0.000 -0.000 -0.000 3/31944 340.0 2.770 2.770 4.548 0.000 -0.000 -0.000 3/31944 350.0 2.697 2.697 4.427 0.000 -0.000 -0.000 3/31944 360.0 2.628 2.628 4.312 0.000 -0.000 -0.000 3/31944 370.0 2.563 2.563 4.203 0.000 -0.000 -0.000 3/31944 380.0 2.501 2.501 4.100 0.000 -0.000 -0.000 3/31944 390.0 2.441 2.441 4.001 0.000 -0.000 -0.000 3/31944 400.0 2.385 2.385 3.908 0.000 -0.000 -0.000 3/31944 410.0 2.331 2.331 3.819 0.000 -0.000 -0.000 3/31944 420.0 2.280 2.280 3.733 0.000 -0.000 -0.000 3/31944 430.0 2.231 2.231 3.652 0.000 -0.000 -0.000 3/31944 440.0 2.184 2.184 3.574 0.000 -0.000 -0.000 3/31944 450.0 2.138 2.138 3.499 0.000 -0.000 -0.000 3/31944 460.0 2.095 2.095 3.428 0.000 -0.000 -0.000 3/31944 470.0 2.054 2.054 3.359 0.000 -0.000 -0.000 3/31944 480.0 2.014 2.014 3.293 0.000 -0.000 -0.000 3/31944 490.0 1.975 1.975 3.230 0.000 -0.000 -0.000 3/31944 500.0 1.938 1.938 3.169 0.000 -0.000 -0.000 3/31944 510.0 1.903 1.903 3.110 0.000 -0.000 -0.000 3/31944 520.0 1.868 1.868 3.054 0.000 -0.000 -0.000 3/31944 530.0 1.835 1.835 2.999 0.000 -0.000 -0.000 3/31944 540.0 1.803 1.803 2.946 0.000 -0.000 -0.000 3/31944 550.0 1.772 1.772 2.896 0.000 -0.000 -0.000 3/31944 560.0 1.742 1.742 2.846 0.000 -0.000 -0.000 3/31944 570.0 1.714 1.714 2.799 0.000 -0.000 -0.000 3/31944 580.0 1.686 1.686 2.753 0.000 -0.000 -0.000 3/31944 590.0 1.659 1.659 2.709 0.000 -0.000 -0.000 3/31944 600.0 1.632 1.632 2.666 0.000 -0.000 -0.000 3/31944 610.0 1.607 1.607 2.624 0.000 -0.000 -0.000 3/31944 620.0 1.582 1.582 2.583 0.000 -0.000 -0.000 3/31944 630.0 1.559 1.559 2.544 0.000 -0.000 -0.000 3/31944 640.0 1.535 1.535 2.506 0.000 -0.000 -0.000 3/31944 650.0 1.513 1.513 2.469 0.000 -0.000 -0.000 3/31944 660.0 1.491 1.491 2.433 0.000 -0.000 -0.000 3/31944 670.0 1.470 1.470 2.399 0.000 -0.000 -0.000 3/31944 680.0 1.449 1.449 2.365 0.000 -0.000 -0.000 3/31944 690.0 1.429 1.429 2.332 0.000 -0.000 -0.000 3/31944 700.0 1.410 1.410 2.300 0.000 -0.000 -0.000 3/31944 710.0 1.391 1.391 2.269 0.000 -0.000 -0.000 3/31944 720.0 1.372 1.372 2.238 0.000 -0.000 -0.000 3/31944 730.0 1.354 1.354 2.209 0.000 -0.000 -0.000 3/31944 740.0 1.336 1.336 2.180 0.000 -0.000 -0.000 3/31944 750.0 1.319 1.319 2.152 0.000 -0.000 -0.000 3/31944 760.0 1.303 1.303 2.125 0.000 -0.000 -0.000 3/31944 770.0 1.286 1.286 2.098 0.000 -0.000 -0.000 3/31944 780.0 1.270 1.270 2.072 0.000 -0.000 -0.000 3/31944 790.0 1.255 1.255 2.047 0.000 -0.000 -0.000 3/31944 800.0 1.240 1.240 2.022 0.000 -0.000 -0.000 3/31944 810.0 1.225 1.225 1.998 0.000 -0.000 -0.000 3/31944 820.0 1.211 1.211 1.974 0.000 -0.000 -0.000 3/31944 830.0 1.197 1.197 1.951 0.000 -0.000 -0.000 3/31944 840.0 1.183 1.183 1.929 0.000 -0.000 -0.000 3/31944 850.0 1.169 1.169 1.907 0.000 -0.000 -0.000 3/31944 860.0 1.156 1.156 1.885 0.000 -0.000 -0.000 3/31944 870.0 1.143 1.143 1.864 0.000 -0.000 -0.000 3/31944 880.0 1.131 1.131 1.843 0.000 -0.000 -0.000 3/31944 890.0 1.118 1.118 1.823 0.000 -0.000 -0.000 3/31944 900.0 1.106 1.106 1.804 0.000 -0.000 -0.000 3/31944 910.0 1.095 1.095 1.784 0.000 -0.000 -0.000 3/31944 920.0 1.083 1.083 1.765 0.000 -0.000 -0.000 3/31944 930.0 1.072 1.072 1.747 0.000 -0.000 -0.000 3/31944 940.0 1.061 1.061 1.729 0.000 -0.000 -0.000 3/31944 950.0 1.050 1.050 1.711 0.000 -0.000 -0.000 3/31944 960.0 1.039 1.039 1.694 0.000 -0.000 -0.000 3/31944 970.0 1.029 1.029 1.677 0.000 -0.000 -0.000 3/31944 980.0 1.019 1.019 1.660 0.000 -0.000 -0.000 3/31944 990.0 1.009 1.009 1.644 0.000 -0.000 -0.000 3/31944 1000.0 0.999 0.999 1.628 0.000 -0.000 -0.000 3/31944Thermal conductivity related properties were written into "kappa-m111111.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 20:57:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|