----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:51:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.072060210650609 0.000000000000000 0.000000000000000 b -2.536030105325304 4.392532991947678 0.000000000000000 c 0.000000000000000 0.000000000000000 10.233103110000000 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 2 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 *3 F 0.97130787803464 0.35642657910116 0.14822678699377 18.998 4 F 0.35642657910116 0.97130787803464 0.64822678699377 18.998 5 F 0.02869212196536 0.38511870106652 0.64822678699377 18.998 6 F 0.61488129893348 0.64357342089883 0.64822678699377 18.998 7 F 0.38511870106652 0.35642657910116 0.35177321300623 18.998 8 F 0.64357342089883 0.61488129893348 0.14822678699377 18.998 9 F 0.38511870106652 0.02869212196536 0.14822678699377 18.998 10 F 0.97130787803464 0.61488129893348 0.35177321300623 18.998 11 F 0.35642657910116 0.38511870106652 0.85177321300623 18.998 12 F 0.64357342089883 0.02869212196536 0.35177321300623 18.998 13 F 0.02869212196536 0.64357342089883 0.85177321300623 18.998 14 F 0.61488129893348 0.97130787803464 0.85177321300623 18.998 *15 Al 0.66666666666667 0.33333333333333 0.25000000000000 26.982 16 Al 0.33333333333333 0.66666666666667 0.75000000000000 26.982 *17 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 18 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.072060210650609 0.000000000000000 0.000000000000000 b -2.536030105325304 4.392532991947678 0.000000000000000 c 0.000000000000000 0.000000000000000 10.233103110000000 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 > 2 *3 F 0.97130787803464 0.35642657910116 0.14822678699377 18.998 > 3 4 F 0.35642657910116 0.97130787803464 0.64822678699377 18.998 > 4 5 F 0.02869212196536 0.38511870106652 0.64822678699377 18.998 > 5 6 F 0.61488129893348 0.64357342089883 0.64822678699377 18.998 > 6 7 F 0.38511870106652 0.35642657910116 0.35177321300623 18.998 > 7 8 F 0.64357342089883 0.61488129893348 0.14822678699377 18.998 > 8 9 F 0.38511870106652 0.02869212196536 0.14822678699377 18.998 > 9 10 F 0.97130787803464 0.61488129893348 0.35177321300623 18.998 > 10 11 F 0.35642657910116 0.38511870106652 0.85177321300623 18.998 > 11 12 F 0.64357342089883 0.02869212196536 0.35177321300623 18.998 > 12 13 F 0.02869212196536 0.64357342089883 0.85177321300623 18.998 > 13 14 F 0.61488129893348 0.97130787803464 0.85177321300623 18.998 > 14 *15 Al 0.66666666666667 0.33333333333333 0.25000000000000 26.982 > 15 16 Al 0.33333333333333 0.66666666666667 0.75000000000000 26.982 > 16 *17 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 17 18 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.144120421301219 0.000000000000000 0.000000000000000 b -5.072060210650608 8.785065983895356 0.000000000000000 c 0.000000000000000 0.000000000000000 10.233103110000000 Atomic positions (fractional): *1 Li 0.16666666666667 0.33333333333333 0.25000000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.25000000000000 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.25000000000000 6.941 > 1 5 Li 0.33333333333333 0.16666666666667 0.75000000000000 6.941 > 2 6 Li 0.83333333333333 0.16666666666667 0.75000000000000 6.941 > 2 7 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 > 2 8 Li 0.83333333333333 0.66666666666667 0.75000000000000 6.941 > 2 *9 F 0.48565393901732 0.17821328955058 0.14822678699377 18.998 > 3 10 F 0.98565393901732 0.17821328955058 0.14822678699377 18.998 > 3 11 F 0.48565393901732 0.67821328955058 0.14822678699377 18.998 > 3 12 F 0.98565393901732 0.67821328955058 0.14822678699377 18.998 > 3 13 F 0.17821328955058 0.48565393901732 0.64822678699377 18.998 > 4 14 F 0.67821328955058 0.48565393901732 0.64822678699377 18.998 > 4 15 F 0.17821328955058 0.98565393901732 0.64822678699377 18.998 > 4 16 F 0.67821328955058 0.98565393901732 0.64822678699377 18.998 > 4 17 F 0.01434606098268 0.19255935053326 0.64822678699377 18.998 > 5 18 F 0.51434606098268 0.19255935053326 0.64822678699377 18.998 > 5 19 F 0.01434606098268 0.69255935053326 0.64822678699377 18.998 > 5 20 F 0.51434606098268 0.69255935053326 0.64822678699377 18.998 > 5 21 F 0.30744064946674 0.32178671044942 0.64822678699377 18.998 > 6 22 F 0.80744064946674 0.32178671044942 0.64822678699377 18.998 > 6 23 F 0.30744064946674 0.82178671044942 0.64822678699377 18.998 > 6 24 F 0.80744064946674 0.82178671044942 0.64822678699377 18.998 > 6 25 F 0.19255935053326 0.17821328955058 0.35177321300623 18.998 > 7 26 F 0.69255935053326 0.17821328955058 0.35177321300623 18.998 > 7 27 F 0.19255935053326 0.67821328955058 0.35177321300623 18.998 > 7 28 F 0.69255935053326 0.67821328955058 0.35177321300623 18.998 > 7 29 F 0.32178671044942 0.30744064946674 0.14822678699377 18.998 > 8 30 F 0.82178671044942 0.30744064946674 0.14822678699377 18.998 > 8 31 F 0.32178671044942 0.80744064946674 0.14822678699377 18.998 > 8 32 F 0.82178671044942 0.80744064946674 0.14822678699377 18.998 > 8 33 F 0.19255935053326 0.01434606098268 0.14822678699377 18.998 > 9 34 F 0.69255935053326 0.01434606098268 0.14822678699377 18.998 > 9 35 F 0.19255935053326 0.51434606098268 0.14822678699377 18.998 > 9 36 F 0.69255935053326 0.51434606098268 0.14822678699377 18.998 > 9 37 F 0.48565393901732 0.30744064946674 0.35177321300623 18.998 > 10 38 F 0.98565393901732 0.30744064946674 0.35177321300623 18.998 > 10 39 F 0.48565393901732 0.80744064946674 0.35177321300623 18.998 > 10 40 F 0.98565393901732 0.80744064946674 0.35177321300623 18.998 > 10 41 F 0.17821328955058 0.19255935053326 0.85177321300623 18.998 > 11 42 F 0.67821328955058 0.19255935053326 0.85177321300623 18.998 > 11 43 F 0.17821328955058 0.69255935053326 0.85177321300623 18.998 > 11 44 F 0.67821328955058 0.69255935053326 0.85177321300623 18.998 > 11 45 F 0.32178671044942 0.01434606098268 0.35177321300623 18.998 > 12 46 F 0.82178671044942 0.01434606098268 0.35177321300623 18.998 > 12 47 F 0.32178671044942 0.51434606098268 0.35177321300623 18.998 > 12 48 F 0.82178671044942 0.51434606098268 0.35177321300623 18.998 > 12 49 F 0.01434606098268 0.32178671044942 0.85177321300623 18.998 > 13 50 F 0.51434606098268 0.32178671044942 0.85177321300623 18.998 > 13 51 F 0.01434606098268 0.82178671044942 0.85177321300623 18.998 > 13 52 F 0.51434606098268 0.82178671044942 0.85177321300623 18.998 > 13 53 F 0.30744064946674 0.48565393901732 0.85177321300623 18.998 > 14 54 F 0.80744064946674 0.48565393901732 0.85177321300623 18.998 > 14 55 F 0.30744064946674 0.98565393901732 0.85177321300623 18.998 > 14 56 F 0.80744064946674 0.98565393901732 0.85177321300623 18.998 > 14 *57 Al 0.33333333333333 0.16666666666667 0.25000000000000 26.982 > 15 58 Al 0.83333333333333 0.16666666666667 0.25000000000000 26.982 > 15 59 Al 0.33333333333333 0.66666666666667 0.25000000000000 26.982 > 15 60 Al 0.83333333333333 0.66666666666667 0.25000000000000 26.982 > 15 61 Al 0.16666666666667 0.33333333333333 0.75000000000000 26.982 > 16 62 Al 0.66666666666667 0.33333333333333 0.75000000000000 26.982 > 16 63 Al 0.16666666666667 0.83333333333333 0.75000000000000 26.982 > 16 64 Al 0.66666666666667 0.83333333333333 0.75000000000000 26.982 > 16 *65 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 17 66 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 17 67 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 17 68 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 17 69 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 18 70 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 18 71 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 18 72 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0453936 -0.0000000 0.0000000 0.0000000 2.0453936 0.0000000 0.0000000 0.0000000 2.0676909 -------------------------- Born effective charges -------------------------- 1 Li 1.1122674 -0.0000000 -0.0000000 0.0000000 1.1122674 -0.0000000 0.0000000 0.0000000 0.9450148 2 Li 1.1122674 -0.0000000 -0.0000000 0.0000000 1.1122674 -0.0000000 0.0000000 0.0000000 0.9450148 3 F -1.1328346 0.0553809 0.2655532 0.0769862 -0.9579180 -0.1920585 0.2620706 -0.1773148 -1.0559201 4 F -1.0589638 0.1196355 -0.2991042 0.0980303 -1.0317888 0.1339466 -0.2845944 0.1383024 -1.0559201 5 F -0.9443305 -0.0318467 0.0335510 -0.0534520 -1.1464221 -0.3260051 0.0225238 -0.3156172 -1.0559201 6 F -1.1328346 -0.0553809 0.2655532 -0.0769862 -0.9579180 0.1920585 0.2620706 0.1773148 -1.0559201 7 F -1.1328346 -0.0553809 0.2655532 -0.0769862 -0.9579180 0.1920585 0.2620706 0.1773148 -1.0559201 8 F -0.9443305 0.0318467 0.0335510 0.0534520 -1.1464221 0.3260051 0.0225238 0.3156172 -1.0559201 9 F -1.0589638 -0.1196355 -0.2991042 -0.0980303 -1.0317888 -0.1339466 -0.2845944 -0.1383024 -1.0559201 10 F -0.9443305 -0.0318467 0.0335510 -0.0534520 -1.1464221 -0.3260051 0.0225238 -0.3156172 -1.0559201 11 F -0.9443305 0.0318467 0.0335510 0.0534520 -1.1464221 0.3260051 0.0225238 0.3156172 -1.0559201 12 F -1.0589638 0.1196355 -0.2991042 0.0980303 -1.0317888 0.1339466 -0.2845944 0.1383024 -1.0559201 13 F -1.1328346 0.0553809 0.2655532 0.0769862 -0.9579180 -0.1920585 0.2620706 -0.1773148 -1.0559201 14 F -1.0589638 -0.1196355 -0.2991042 -0.0980303 -1.0317888 -0.1339466 -0.2845944 -0.1383024 -1.0559201 15 Al 2.8023998 -0.0000000 -0.0000000 0.0000000 2.8023998 -0.0000000 0.0000000 0.0000000 2.7632155 16 Al 2.8023998 -0.0000000 -0.0000000 0.0000000 2.8023998 -0.0000000 0.0000000 0.0000000 2.7632155 17 Sr 2.3575904 -0.0440687 -0.0000000 0.0440687 2.3575904 -0.0000000 0.0000000 0.0000000 2.6272900 18 Sr 2.3575904 0.0440687 -0.0000000 -0.0440687 2.3575904 -0.0000000 0.0000000 0.0000000 2.6272900 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 6048/6048 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 541 Number of blocks in projector: 288 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 251 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (541, 525), data: False |-- (78, 74), data: True |-- (212, 208), data: True |-- (251, 243), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.315 Solver_block: 200 / 240 - Time: 0.316 Solver_block: 240 / 240 - Time: 0.190 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.925 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 216/216 Permutation basis: 6048/6048 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 541 Number of blocks in projector: 288 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 251 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (541, 525), data: False |-- (78, 74), data: True |-- (212, 208), data: True |-- (251, 243), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:51:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:51:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.072060210650609 0.000000000000000 0.000000000000000 b -2.536030105325304 4.392532991947678 0.000000000000000 c 0.000000000000000 0.000000000000000 10.233103110000000 Atomic positions (fractional): 1 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 2 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 3 F 0.97130787803464 0.35642657910116 0.14822678699377 18.998 4 F 0.35642657910116 0.97130787803464 0.64822678699377 18.998 5 F 0.02869212196536 0.38511870106652 0.64822678699377 18.998 6 F 0.61488129893348 0.64357342089883 0.64822678699377 18.998 7 F 0.38511870106652 0.35642657910116 0.35177321300623 18.998 8 F 0.64357342089883 0.61488129893348 0.14822678699377 18.998 9 F 0.38511870106652 0.02869212196536 0.14822678699377 18.998 10 F 0.97130787803464 0.61488129893348 0.35177321300623 18.998 11 F 0.35642657910116 0.38511870106652 0.85177321300623 18.998 12 F 0.64357342089883 0.02869212196536 0.35177321300623 18.998 13 F 0.02869212196536 0.64357342089883 0.85177321300623 18.998 14 F 0.61488129893348 0.97130787803464 0.85177321300623 18.998 15 Al 0.66666666666667 0.33333333333333 0.25000000000000 26.982 16 Al 0.33333333333333 0.66666666666667 0.75000000000000 26.982 17 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 18 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.144120421301219 0.000000000000000 0.000000000000000 b -5.072060210650608 8.785065983895356 0.000000000000000 c 0.000000000000000 0.000000000000000 10.233103110000000 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.25000000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.25000000000000 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.25000000000000 6.941 > 1 5 Li 0.33333333333333 0.16666666666667 0.75000000000000 6.941 > 5 6 Li 0.83333333333333 0.16666666666667 0.75000000000000 6.941 > 5 7 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 > 5 8 Li 0.83333333333333 0.66666666666667 0.75000000000000 6.941 > 5 9 F 0.48565393901732 0.17821328955058 0.14822678699377 18.998 > 9 10 F 0.98565393901732 0.17821328955058 0.14822678699377 18.998 > 9 11 F 0.48565393901732 0.67821328955058 0.14822678699377 18.998 > 9 12 F 0.98565393901732 0.67821328955058 0.14822678699377 18.998 > 9 13 F 0.17821328955058 0.48565393901732 0.64822678699377 18.998 > 13 14 F 0.67821328955058 0.48565393901732 0.64822678699377 18.998 > 13 15 F 0.17821328955058 0.98565393901732 0.64822678699377 18.998 > 13 16 F 0.67821328955058 0.98565393901732 0.64822678699377 18.998 > 13 17 F 0.01434606098268 0.19255935053326 0.64822678699377 18.998 > 17 18 F 0.51434606098268 0.19255935053326 0.64822678699377 18.998 > 17 19 F 0.01434606098268 0.69255935053326 0.64822678699377 18.998 > 17 20 F 0.51434606098268 0.69255935053326 0.64822678699377 18.998 > 17 21 F 0.30744064946674 0.32178671044942 0.64822678699377 18.998 > 21 22 F 0.80744064946674 0.32178671044942 0.64822678699377 18.998 > 21 23 F 0.30744064946674 0.82178671044942 0.64822678699377 18.998 > 21 24 F 0.80744064946674 0.82178671044942 0.64822678699377 18.998 > 21 25 F 0.19255935053326 0.17821328955058 0.35177321300623 18.998 > 25 26 F 0.69255935053326 0.17821328955058 0.35177321300623 18.998 > 25 27 F 0.19255935053326 0.67821328955058 0.35177321300623 18.998 > 25 28 F 0.69255935053326 0.67821328955058 0.35177321300623 18.998 > 25 29 F 0.32178671044942 0.30744064946674 0.14822678699377 18.998 > 29 30 F 0.82178671044942 0.30744064946674 0.14822678699377 18.998 > 29 31 F 0.32178671044942 0.80744064946674 0.14822678699377 18.998 > 29 32 F 0.82178671044942 0.80744064946674 0.14822678699377 18.998 > 29 33 F 0.19255935053326 0.01434606098268 0.14822678699377 18.998 > 33 34 F 0.69255935053326 0.01434606098268 0.14822678699377 18.998 > 33 35 F 0.19255935053326 0.51434606098268 0.14822678699377 18.998 > 33 36 F 0.69255935053326 0.51434606098268 0.14822678699377 18.998 > 33 37 F 0.48565393901732 0.30744064946674 0.35177321300623 18.998 > 37 38 F 0.98565393901732 0.30744064946674 0.35177321300623 18.998 > 37 39 F 0.48565393901732 0.80744064946674 0.35177321300623 18.998 > 37 40 F 0.98565393901732 0.80744064946674 0.35177321300623 18.998 > 37 41 F 0.17821328955058 0.19255935053326 0.85177321300623 18.998 > 41 42 F 0.67821328955058 0.19255935053326 0.85177321300623 18.998 > 41 43 F 0.17821328955058 0.69255935053326 0.85177321300623 18.998 > 41 44 F 0.67821328955058 0.69255935053326 0.85177321300623 18.998 > 41 45 F 0.32178671044942 0.01434606098268 0.35177321300623 18.998 > 45 46 F 0.82178671044942 0.01434606098268 0.35177321300623 18.998 > 45 47 F 0.32178671044942 0.51434606098268 0.35177321300623 18.998 > 45 48 F 0.82178671044942 0.51434606098268 0.35177321300623 18.998 > 45 49 F 0.01434606098268 0.32178671044942 0.85177321300623 18.998 > 49 50 F 0.51434606098268 0.32178671044942 0.85177321300623 18.998 > 49 51 F 0.01434606098268 0.82178671044942 0.85177321300623 18.998 > 49 52 F 0.51434606098268 0.82178671044942 0.85177321300623 18.998 > 49 53 F 0.30744064946674 0.48565393901732 0.85177321300623 18.998 > 53 54 F 0.80744064946674 0.48565393901732 0.85177321300623 18.998 > 53 55 F 0.30744064946674 0.98565393901732 0.85177321300623 18.998 > 53 56 F 0.80744064946674 0.98565393901732 0.85177321300623 18.998 > 53 57 Al 0.33333333333333 0.16666666666667 0.25000000000000 26.982 > 57 58 Al 0.83333333333333 0.16666666666667 0.25000000000000 26.982 > 57 59 Al 0.33333333333333 0.66666666666667 0.25000000000000 26.982 > 57 60 Al 0.83333333333333 0.66666666666667 0.25000000000000 26.982 > 57 61 Al 0.16666666666667 0.33333333333333 0.75000000000000 26.982 > 61 62 Al 0.66666666666667 0.33333333333333 0.75000000000000 26.982 > 61 63 Al 0.16666666666667 0.83333333333333 0.75000000000000 26.982 > 61 64 Al 0.66666666666667 0.83333333333333 0.75000000000000 26.982 > 61 65 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 65 66 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 65 67 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 65 68 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 65 69 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 69 70 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 69 71 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 69 72 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0453936 -0.0000000 0.0000000 0.0000000 2.0453936 0.0000000 0.0000000 0.0000000 2.0676909 -------------------------- Born effective charges -------------------------- 1 Li 1.1122674 -0.0000000 -0.0000000 0.0000000 1.1122674 -0.0000000 0.0000000 0.0000000 0.9450148 2 Li 1.1122674 -0.0000000 -0.0000000 0.0000000 1.1122674 -0.0000000 0.0000000 0.0000000 0.9450148 3 F -1.1328346 0.0553809 0.2655532 0.0769862 -0.9579180 -0.1920585 0.2620706 -0.1773148 -1.0559201 4 F -1.0589638 0.1196355 -0.2991042 0.0980303 -1.0317888 0.1339466 -0.2845944 0.1383024 -1.0559201 5 F -0.9443305 -0.0318467 0.0335510 -0.0534520 -1.1464221 -0.3260051 0.0225238 -0.3156172 -1.0559201 6 F -1.1328346 -0.0553809 0.2655532 -0.0769862 -0.9579180 0.1920585 0.2620706 0.1773148 -1.0559201 7 F -1.1328346 -0.0553809 0.2655532 -0.0769862 -0.9579180 0.1920585 0.2620706 0.1773148 -1.0559201 8 F -0.9443305 0.0318467 0.0335510 0.0534520 -1.1464221 0.3260051 0.0225238 0.3156172 -1.0559201 9 F -1.0589638 -0.1196355 -0.2991042 -0.0980303 -1.0317888 -0.1339466 -0.2845944 -0.1383024 -1.0559201 10 F -0.9443305 -0.0318467 0.0335510 -0.0534520 -1.1464221 -0.3260051 0.0225238 -0.3156172 -1.0559201 11 F -0.9443305 0.0318467 0.0335510 0.0534520 -1.1464221 0.3260051 0.0225238 0.3156172 -1.0559201 12 F -1.0589638 0.1196355 -0.2991042 0.0980303 -1.0317888 0.1339466 -0.2845944 0.1383024 -1.0559201 13 F -1.1328346 0.0553809 0.2655532 0.0769862 -0.9579180 -0.1920585 0.2620706 -0.1773148 -1.0559201 14 F -1.0589638 -0.1196355 -0.2991042 -0.0980303 -1.0317888 -0.1339466 -0.2845944 -0.1383024 -1.0559201 15 Al 2.8023998 -0.0000000 -0.0000000 0.0000000 2.8023998 -0.0000000 0.0000000 0.0000000 2.7632155 16 Al 2.8023998 -0.0000000 -0.0000000 0.0000000 2.8023998 -0.0000000 0.0000000 0.0000000 2.7632155 17 Sr 2.3575904 -0.0440687 -0.0000000 0.0440687 2.3575904 -0.0000000 0.0000000 0.0000000 2.6272900 18 Sr 2.3575904 0.0440687 -0.0000000 -0.0440687 2.3575904 -0.0000000 0.0000000 0.0000000 2.6272900 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000015 (yyy) 0.00000015 (yyy) 0.00000015 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000006 (yx) 0.00000006 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:51:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:51:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.072060210650609 0.000000000000000 0.000000000000000 b -2.536030105325304 4.392532991947678 0.000000000000000 c 0.000000000000000 0.000000000000000 10.233103110000000 Atomic positions (fractional): 1 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 2 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 3 F 0.97130787803464 0.35642657910116 0.14822678699377 18.998 4 F 0.35642657910116 0.97130787803464 0.64822678699377 18.998 5 F 0.02869212196536 0.38511870106652 0.64822678699377 18.998 6 F 0.61488129893348 0.64357342089883 0.64822678699377 18.998 7 F 0.38511870106652 0.35642657910116 0.35177321300623 18.998 8 F 0.64357342089883 0.61488129893348 0.14822678699377 18.998 9 F 0.38511870106652 0.02869212196536 0.14822678699377 18.998 10 F 0.97130787803464 0.61488129893348 0.35177321300623 18.998 11 F 0.35642657910116 0.38511870106652 0.85177321300623 18.998 12 F 0.64357342089883 0.02869212196536 0.35177321300623 18.998 13 F 0.02869212196536 0.64357342089883 0.85177321300623 18.998 14 F 0.61488129893348 0.97130787803464 0.85177321300623 18.998 15 Al 0.66666666666667 0.33333333333333 0.25000000000000 26.982 16 Al 0.33333333333333 0.66666666666667 0.75000000000000 26.982 17 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 18 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.144120421301219 0.000000000000000 0.000000000000000 b -5.072060210650608 8.785065983895356 0.000000000000000 c 0.000000000000000 0.000000000000000 10.233103110000000 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.25000000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.25000000000000 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.25000000000000 6.941 > 1 5 Li 0.33333333333333 0.16666666666667 0.75000000000000 6.941 > 5 6 Li 0.83333333333333 0.16666666666667 0.75000000000000 6.941 > 5 7 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 > 5 8 Li 0.83333333333333 0.66666666666667 0.75000000000000 6.941 > 5 9 F 0.48565393901732 0.17821328955058 0.14822678699377 18.998 > 9 10 F 0.98565393901732 0.17821328955058 0.14822678699377 18.998 > 9 11 F 0.48565393901732 0.67821328955058 0.14822678699377 18.998 > 9 12 F 0.98565393901732 0.67821328955058 0.14822678699377 18.998 > 9 13 F 0.17821328955058 0.48565393901732 0.64822678699377 18.998 > 13 14 F 0.67821328955058 0.48565393901732 0.64822678699377 18.998 > 13 15 F 0.17821328955058 0.98565393901732 0.64822678699377 18.998 > 13 16 F 0.67821328955058 0.98565393901732 0.64822678699377 18.998 > 13 17 F 0.01434606098268 0.19255935053326 0.64822678699377 18.998 > 17 18 F 0.51434606098268 0.19255935053326 0.64822678699377 18.998 > 17 19 F 0.01434606098268 0.69255935053326 0.64822678699377 18.998 > 17 20 F 0.51434606098268 0.69255935053326 0.64822678699377 18.998 > 17 21 F 0.30744064946674 0.32178671044942 0.64822678699377 18.998 > 21 22 F 0.80744064946674 0.32178671044942 0.64822678699377 18.998 > 21 23 F 0.30744064946674 0.82178671044942 0.64822678699377 18.998 > 21 24 F 0.80744064946674 0.82178671044942 0.64822678699377 18.998 > 21 25 F 0.19255935053326 0.17821328955058 0.35177321300623 18.998 > 25 26 F 0.69255935053326 0.17821328955058 0.35177321300623 18.998 > 25 27 F 0.19255935053326 0.67821328955058 0.35177321300623 18.998 > 25 28 F 0.69255935053326 0.67821328955058 0.35177321300623 18.998 > 25 29 F 0.32178671044942 0.30744064946674 0.14822678699377 18.998 > 29 30 F 0.82178671044942 0.30744064946674 0.14822678699377 18.998 > 29 31 F 0.32178671044942 0.80744064946674 0.14822678699377 18.998 > 29 32 F 0.82178671044942 0.80744064946674 0.14822678699377 18.998 > 29 33 F 0.19255935053326 0.01434606098268 0.14822678699377 18.998 > 33 34 F 0.69255935053326 0.01434606098268 0.14822678699377 18.998 > 33 35 F 0.19255935053326 0.51434606098268 0.14822678699377 18.998 > 33 36 F 0.69255935053326 0.51434606098268 0.14822678699377 18.998 > 33 37 F 0.48565393901732 0.30744064946674 0.35177321300623 18.998 > 37 38 F 0.98565393901732 0.30744064946674 0.35177321300623 18.998 > 37 39 F 0.48565393901732 0.80744064946674 0.35177321300623 18.998 > 37 40 F 0.98565393901732 0.80744064946674 0.35177321300623 18.998 > 37 41 F 0.17821328955058 0.19255935053326 0.85177321300623 18.998 > 41 42 F 0.67821328955058 0.19255935053326 0.85177321300623 18.998 > 41 43 F 0.17821328955058 0.69255935053326 0.85177321300623 18.998 > 41 44 F 0.67821328955058 0.69255935053326 0.85177321300623 18.998 > 41 45 F 0.32178671044942 0.01434606098268 0.35177321300623 18.998 > 45 46 F 0.82178671044942 0.01434606098268 0.35177321300623 18.998 > 45 47 F 0.32178671044942 0.51434606098268 0.35177321300623 18.998 > 45 48 F 0.82178671044942 0.51434606098268 0.35177321300623 18.998 > 45 49 F 0.01434606098268 0.32178671044942 0.85177321300623 18.998 > 49 50 F 0.51434606098268 0.32178671044942 0.85177321300623 18.998 > 49 51 F 0.01434606098268 0.82178671044942 0.85177321300623 18.998 > 49 52 F 0.51434606098268 0.82178671044942 0.85177321300623 18.998 > 49 53 F 0.30744064946674 0.48565393901732 0.85177321300623 18.998 > 53 54 F 0.80744064946674 0.48565393901732 0.85177321300623 18.998 > 53 55 F 0.30744064946674 0.98565393901732 0.85177321300623 18.998 > 53 56 F 0.80744064946674 0.98565393901732 0.85177321300623 18.998 > 53 57 Al 0.33333333333333 0.16666666666667 0.25000000000000 26.982 > 57 58 Al 0.83333333333333 0.16666666666667 0.25000000000000 26.982 > 57 59 Al 0.33333333333333 0.66666666666667 0.25000000000000 26.982 > 57 60 Al 0.83333333333333 0.66666666666667 0.25000000000000 26.982 > 57 61 Al 0.16666666666667 0.33333333333333 0.75000000000000 26.982 > 61 62 Al 0.66666666666667 0.33333333333333 0.75000000000000 26.982 > 61 63 Al 0.16666666666667 0.83333333333333 0.75000000000000 26.982 > 61 64 Al 0.66666666666667 0.83333333333333 0.75000000000000 26.982 > 61 65 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 65 66 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 65 67 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 65 68 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 65 69 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 69 70 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 69 71 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 69 72 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0453936 -0.0000000 0.0000000 0.0000000 2.0453936 0.0000000 0.0000000 0.0000000 2.0676909 -------------------------- Born effective charges -------------------------- 1 Li 1.1122674 -0.0000000 -0.0000000 0.0000000 1.1122674 -0.0000000 0.0000000 0.0000000 0.9450148 2 Li 1.1122674 -0.0000000 -0.0000000 0.0000000 1.1122674 -0.0000000 0.0000000 0.0000000 0.9450148 3 F -1.1328346 0.0553809 0.2655532 0.0769862 -0.9579180 -0.1920585 0.2620706 -0.1773148 -1.0559201 4 F -1.0589638 0.1196355 -0.2991042 0.0980303 -1.0317888 0.1339466 -0.2845944 0.1383024 -1.0559201 5 F -0.9443305 -0.0318467 0.0335510 -0.0534520 -1.1464221 -0.3260051 0.0225238 -0.3156172 -1.0559201 6 F -1.1328346 -0.0553809 0.2655532 -0.0769862 -0.9579180 0.1920585 0.2620706 0.1773148 -1.0559201 7 F -1.1328346 -0.0553809 0.2655532 -0.0769862 -0.9579180 0.1920585 0.2620706 0.1773148 -1.0559201 8 F -0.9443305 0.0318467 0.0335510 0.0534520 -1.1464221 0.3260051 0.0225238 0.3156172 -1.0559201 9 F -1.0589638 -0.1196355 -0.2991042 -0.0980303 -1.0317888 -0.1339466 -0.2845944 -0.1383024 -1.0559201 10 F -0.9443305 -0.0318467 0.0335510 -0.0534520 -1.1464221 -0.3260051 0.0225238 -0.3156172 -1.0559201 11 F -0.9443305 0.0318467 0.0335510 0.0534520 -1.1464221 0.3260051 0.0225238 0.3156172 -1.0559201 12 F -1.0589638 0.1196355 -0.2991042 0.0980303 -1.0317888 0.1339466 -0.2845944 0.1383024 -1.0559201 13 F -1.1328346 0.0553809 0.2655532 0.0769862 -0.9579180 -0.1920585 0.2620706 -0.1773148 -1.0559201 14 F -1.0589638 -0.1196355 -0.2991042 -0.0980303 -1.0317888 -0.1339466 -0.2845944 -0.1383024 -1.0559201 15 Al 2.8023998 -0.0000000 -0.0000000 0.0000000 2.8023998 -0.0000000 0.0000000 0.0000000 2.7632155 16 Al 2.8023998 -0.0000000 -0.0000000 0.0000000 2.8023998 -0.0000000 0.0000000 0.0000000 2.7632155 17 Sr 2.3575904 -0.0440687 -0.0000000 0.0440687 2.3575904 -0.0000000 0.0000000 0.0000000 2.6272900 18 Sr 2.3575904 0.0440687 -0.0000000 -0.0440687 2.3575904 -0.0000000 0.0000000 0.0000000 2.6272900 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000015 (yyy) 0.00000015 (yyy) 0.00000015 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.68, Number of G-points: 307, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/68) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.567 ( 0.000 0.000 0.000) 0.000 4.567 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 6.997 ( 0.000 0.000 0.000) 0.000 7.236 ( 0.000 0.000 0.000) 0.000 7.365 ( 0.000 0.000 0.000) 0.000 8.394 ( 0.000 0.000 0.000) 0.000 8.418 ( 0.000 0.000 0.000) 0.000 9.070 ( 0.000 0.000 0.000) 0.000 9.070 ( 0.000 0.000 0.000) 0.000 9.256 ( 0.000 0.000 0.000) 0.000 9.256 ( 0.000 0.000 0.000) 0.000 10.818 ( 0.000 0.000 0.000) 0.000 10.818 ( 0.000 0.000 0.000) 0.000 10.822 ( 0.000 0.000 0.000) 0.000 10.822 ( 0.000 0.000 0.000) 0.000 10.927 ( 0.000 0.000 0.000) 0.000 11.231 ( 0.000 0.000 0.000) 0.000 11.597 ( 0.000 0.000 0.000) 0.000 11.972 ( 0.000 0.000 0.000) 0.000 12.014 ( 0.000 0.000 0.000) 0.000 12.014 ( 0.000 0.000 0.000) 0.000 12.287 ( 0.000 0.000 0.000) 0.000 12.287 ( 0.000 0.000 0.000) 0.000 12.778 ( 0.000 0.000 0.000) 0.000 12.778 ( 0.000 0.000 0.000) 0.000 12.792 ( 0.000 0.000 0.000) 0.000 12.792 ( 0.000 0.000 0.000) 0.000 16.406 ( 0.000 0.000 0.000) 0.000 16.508 ( 0.000 0.000 0.000) 0.000 17.068 ( 0.000 0.000 0.000) 0.000 17.068 ( 0.000 0.000 0.000) 0.000 17.288 ( 0.000 0.000 0.000) 0.000 17.288 ( 0.000 0.000 0.000) 0.000 17.527 ( 0.000 0.000 0.000) 0.000 20.800 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/68) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 16.828 9.716 0.000) 19.431 0.859 ( 35.184 20.314 0.000) 40.627 1.138 ( 46.493 26.843 0.000) 53.686 2.384 ( -8.840 -5.104 0.000) 10.207 2.573 ( 4.318 2.493 0.000) 4.986 2.715 ( -6.101 -3.522 0.000) 7.045 2.842 ( 0.750 0.433 0.000) 0.866 3.128 ( 5.208 3.007 0.000) 6.014 3.243 ( -3.544 -2.046 0.000) 4.092 3.543 ( -1.794 -1.036 0.000) 2.071 3.623 ( 2.563 1.480 0.000) 2.960 4.226 ( -5.985 -3.455 0.000) 6.911 4.261 ( -0.652 -0.376 0.000) 0.753 4.676 ( 7.303 4.216 0.000) 8.432 4.966 ( -6.847 -3.953 0.000) 7.906 5.198 ( 2.795 1.614 0.000) 3.227 6.846 ( -2.907 -1.678 0.000) 3.356 6.852 ( -4.691 -2.709 0.000) 5.417 6.916 ( -7.593 -4.384 0.000) 8.767 6.918 ( -0.208 -0.120 0.000) 0.240 6.985 ( 4.481 2.587 0.000) 5.175 7.002 ( 0.275 0.159 0.000) 0.318 7.315 ( -4.048 -2.337 0.000) 4.674 7.338 ( 4.412 2.547 0.000) 5.095 8.426 ( 2.340 1.351 0.000) 2.702 8.430 ( 1.654 0.955 0.000) 1.910 9.081 ( 0.624 0.360 0.000) 0.720 9.210 ( -1.012 -0.584 0.000) 1.168 9.255 ( -0.262 -0.151 0.000) 0.302 9.304 ( 1.598 0.923 0.000) 1.846 10.738 ( -6.579 -3.799 0.000) 7.597 10.807 ( -0.776 -0.448 0.000) 0.896 10.820 ( -0.397 -0.229 0.000) 0.459 10.821 ( -8.103 -4.678 0.000) 9.357 11.272 ( 3.225 1.862 0.000) 3.724 11.390 ( 3.101 1.790 0.000) 3.580 11.556 ( -3.215 -1.856 0.000) 3.712 11.728 ( -10.125 -5.846 0.000) 11.692 12.210 ( 2.971 1.715 0.000) 3.431 12.232 ( -3.443 -1.988 0.000) 3.976 12.240 ( 0.605 0.349 0.000) 0.698 12.807 ( 1.880 1.086 0.000) 2.171 12.870 ( 6.336 3.658 0.000) 7.316 12.888 ( 7.051 4.071 0.000) 8.141 12.906 ( 9.327 5.385 0.000) 10.770 13.651 ( 1.829 1.056 0.000) 2.112 16.428 ( 1.779 1.027 0.000) 2.054 16.509 ( 0.275 0.159 0.000) 0.318 17.119 ( 4.125 2.382 0.000) 4.763 17.293 ( 0.230 0.133 0.000) 0.266 17.388 ( 8.020 4.630 0.000) 9.261 17.505 ( -1.603 -0.925 0.000) 1.851 19.870 ( -1.628 -0.940 0.000) 1.880 20.543 ( -20.781 -11.998 0.000) 23.996 ======================= Grid point 2 (3/68) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 10.699 6.177 0.000) 12.354 1.656 ( 30.607 17.671 0.000) 35.342 2.157 ( -9.867 -5.697 0.000) 11.394 2.187 ( 40.240 23.232 0.000) 46.465 2.569 ( -5.642 -3.257 0.000) 6.515 2.711 ( 6.967 4.023 0.000) 8.045 2.801 ( -2.421 -1.398 0.000) 2.795 3.107 ( -8.368 -4.831 0.000) 9.663 3.265 ( 5.665 3.271 0.000) 6.541 3.487 ( -2.282 -1.318 0.000) 2.635 3.693 ( 1.590 0.918 0.000) 1.835 3.982 ( -11.924 -6.884 0.000) 13.769 4.285 ( 2.495 1.440 0.000) 2.881 4.855 ( 7.007 4.046 0.000) 8.091 4.919 ( 3.718 2.147 0.000) 4.293 5.271 ( 3.046 1.759 0.000) 3.517 6.690 ( -7.120 -4.111 0.000) 8.221 6.743 ( -6.847 -3.953 0.000) 7.906 6.767 ( -3.667 -2.117 0.000) 4.235 6.885 ( -2.721 -1.571 0.000) 3.142 7.003 ( -0.307 -0.177 0.000) 0.355 7.119 ( 5.345 3.086 0.000) 6.172 7.185 ( -6.314 -3.645 0.000) 7.291 7.402 ( 1.054 0.608 0.000) 1.217 8.488 ( 3.967 2.291 0.000) 4.581 8.530 ( 5.660 3.268 0.000) 6.535 9.084 ( -0.542 -0.313 0.000) 0.626 9.192 ( -0.976 -0.564 0.000) 1.127 9.237 ( -1.334 -0.770 0.000) 1.541 9.308 ( -1.638 -0.946 0.000) 1.891 10.525 ( -10.472 -6.046 0.000) 12.092 10.577 ( -11.520 -6.651 0.000) 13.302 10.778 ( -1.729 -0.998 0.000) 1.996 10.801 ( -1.129 -0.652 0.000) 1.304 11.363 ( 3.901 2.252 0.000) 4.504 11.459 ( -4.623 -2.669 0.000) 5.338 11.476 ( 3.614 2.086 0.000) 4.173 11.530 ( -6.361 -3.673 0.000) 7.345 12.149 ( -1.940 -1.120 0.000) 2.240 12.176 ( -0.580 -0.335 0.000) 0.670 12.359 ( 4.327 2.498 0.000) 4.996 12.836 ( 0.116 0.067 0.000) 0.134 13.035 ( 7.021 4.054 0.000) 8.107 13.076 ( 7.883 4.551 0.000) 9.102 13.192 ( 13.380 7.725 0.000) 15.450 13.707 ( 2.515 1.452 0.000) 2.905 16.480 ( 2.205 1.273 0.000) 2.546 16.531 ( 1.813 1.047 0.000) 2.093 17.253 ( 6.726 3.883 0.000) 7.767 17.276 ( -2.110 -1.218 0.000) 2.436 17.481 ( 0.301 0.174 0.000) 0.348 17.639 ( 12.132 7.004 0.000) 14.009 19.814 ( -3.034 -1.752 0.000) 3.503 19.866 ( -34.297 -19.802 0.000) 39.603 ======================= Grid point 3 (4/68) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 6.117 3.532 0.000) 7.063 1.863 ( -14.507 -8.376 0.000) 16.751 2.280 ( 18.711 10.803 0.000) 21.606 2.421 ( -6.721 -3.880 0.000) 7.761 2.829 ( -6.750 -3.897 0.000) 7.795 2.884 ( 3.285 1.896 0.000) 3.793 2.888 ( 8.292 4.788 0.000) 9.575 2.967 ( 19.993 11.543 0.000) 23.086 3.393 ( 3.922 2.264 0.000) 4.528 3.463 ( 1.258 0.726 0.000) 1.453 3.566 ( -4.731 -2.732 0.000) 5.463 3.913 ( 4.210 2.431 0.000) 4.861 4.365 ( 3.868 2.233 0.000) 4.467 4.991 ( 4.237 2.446 0.000) 4.892 5.069 ( 6.655 3.842 0.000) 7.685 5.372 ( 6.701 3.869 0.000) 7.738 6.520 ( -7.970 -4.602 0.000) 9.204 6.623 ( -1.975 -1.140 0.000) 2.281 6.657 ( -6.341 -3.661 0.000) 7.322 6.795 ( -3.921 -2.264 0.000) 4.528 6.969 ( -3.142 -1.814 0.000) 3.629 7.054 ( -3.654 -2.110 0.000) 4.220 7.222 ( 3.092 1.785 0.000) 3.570 7.401 ( -0.685 -0.395 0.000) 0.791 8.613 ( 6.095 3.519 0.000) 7.038 8.681 ( 6.376 3.681 0.000) 7.362 9.060 ( -1.203 -0.694 0.000) 1.389 9.131 ( -4.760 -2.748 0.000) 5.496 9.196 ( -1.743 -1.006 0.000) 2.012 9.221 ( -5.481 -3.164 0.000) 6.329 10.273 ( -9.784 -5.649 0.000) 11.297 10.319 ( -9.214 -5.320 0.000) 10.639 10.728 ( -2.229 -1.287 0.000) 2.574 10.768 ( -1.543 -0.891 0.000) 1.782 11.348 ( -4.462 -2.576 0.000) 5.152 11.409 ( -4.219 -2.436 0.000) 4.871 11.444 ( 2.707 1.563 0.000) 3.126 11.546 ( 2.214 1.278 0.000) 2.556 12.152 ( 2.233 1.289 0.000) 2.579 12.217 ( 3.870 2.234 0.000) 4.469 12.442 ( 2.657 1.534 0.000) 3.069 12.809 ( -2.270 -1.310 0.000) 2.621 13.195 ( 6.330 3.654 0.000) 7.309 13.248 ( 6.456 3.727 0.000) 7.454 13.504 ( 12.204 7.046 0.000) 14.092 13.751 ( 0.771 0.445 0.000) 0.890 16.523 ( 1.550 0.895 0.000) 1.789 16.596 ( 3.192 1.843 0.000) 3.686 17.198 ( -3.658 -2.112 0.000) 4.224 17.422 ( 6.940 4.007 0.000) 8.014 17.523 ( 2.840 1.640 0.000) 3.279 17.932 ( 11.752 6.785 0.000) 13.570 18.985 ( -37.743 -21.791 0.000) 43.582 19.729 ( -3.894 -2.248 0.000) 4.496 ======================= Grid point 4 (5/68) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 9.486 5.476 0.000) 10.953 1.431 ( -20.258 -11.696 0.000) 23.392 2.226 ( -11.939 -6.893 0.000) 13.786 2.456 ( -2.659 -1.535 0.000) 3.070 2.753 ( 7.296 4.213 0.000) 8.425 2.992 ( -3.874 -2.237 0.000) 4.473 3.034 ( 1.644 0.949 0.000) 1.898 3.120 ( 4.070 2.350 0.000) 4.700 3.442 ( 3.665 2.116 0.000) 4.232 3.642 ( 13.995 8.080 0.000) 16.160 3.711 ( 6.559 3.787 0.000) 7.574 4.049 ( 6.421 3.707 0.000) 7.415 4.446 ( 2.118 1.223 0.000) 2.446 5.061 ( 1.893 1.093 0.000) 2.186 5.228 ( 7.766 4.484 0.000) 8.968 5.583 ( 9.065 5.234 0.000) 10.467 6.338 ( -6.375 -3.680 0.000) 7.361 6.456 ( -9.413 -5.434 0.000) 10.869 6.625 ( 1.326 0.765 0.000) 1.531 6.734 ( -1.272 -0.734 0.000) 1.468 6.867 ( -4.551 -2.627 0.000) 5.255 7.005 ( -1.204 -0.695 0.000) 1.390 7.258 ( -0.025 -0.015 0.000) 0.029 7.393 ( 0.220 0.127 0.000) 0.255 8.743 ( 3.916 2.261 0.000) 4.522 8.804 ( 3.362 1.941 0.000) 3.883 8.970 ( -7.570 -4.370 0.000) 8.741 9.050 ( 1.010 0.583 0.000) 1.166 9.055 ( -8.058 -4.652 0.000) 9.304 9.175 ( 0.176 0.102 0.000) 0.204 10.094 ( -5.003 -2.888 0.000) 5.777 10.152 ( -4.749 -2.742 0.000) 5.483 10.683 ( -1.321 -0.763 0.000) 1.525 10.732 ( -1.414 -0.816 0.000) 1.633 11.249 ( -3.660 -2.113 0.000) 4.226 11.318 ( -3.393 -1.959 0.000) 3.918 11.485 ( 0.754 0.436 0.000) 0.871 11.591 ( 1.697 0.980 0.000) 1.959 12.242 ( 4.737 2.735 0.000) 5.470 12.341 ( 6.060 3.499 0.000) 6.998 12.484 ( 0.884 0.511 0.000) 1.021 12.734 ( -3.919 -2.262 0.000) 4.525 13.331 ( 4.841 2.795 0.000) 5.590 13.387 ( 5.235 3.023 0.000) 6.045 13.737 ( -1.844 -1.065 0.000) 2.129 13.759 ( 8.850 5.110 0.000) 10.219 16.558 ( 1.308 0.755 0.000) 1.511 16.666 ( 2.450 1.415 0.000) 2.829 17.134 ( -1.040 -0.601 0.000) 1.201 17.558 ( 3.776 2.180 0.000) 4.360 17.603 ( 3.643 2.103 0.000) 4.206 18.139 ( -31.375 -18.114 0.000) 36.229 18.176 ( 8.327 4.808 0.000) 9.616 19.637 ( -3.618 -2.089 0.000) 4.178 ======================= Grid point 5 (6/68) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -12.793 -7.386 0.000) 14.772 1.452 ( 15.251 8.805 0.000) 17.610 1.855 ( -17.193 -9.926 0.000) 19.853 2.431 ( 0.190 0.110 0.000) 0.220 2.874 ( -3.143 -1.815 0.000) 3.629 2.922 ( 5.029 2.903 0.000) 5.807 3.003 ( -2.476 -1.429 0.000) 2.858 3.226 ( 2.755 1.591 0.000) 3.182 3.529 ( 2.810 1.622 0.000) 3.244 3.757 ( -0.837 -0.483 0.000) 0.966 3.978 ( 10.456 6.037 0.000) 12.074 4.168 ( 2.766 1.597 0.000) 3.193 4.440 ( -2.169 -1.252 0.000) 2.505 5.097 ( 1.084 0.626 0.000) 1.252 5.403 ( 4.807 2.775 0.000) 5.551 5.735 ( 3.159 1.824 0.000) 3.648 6.246 ( -1.402 -0.809 0.000) 1.618 6.270 ( -4.823 -2.784 0.000) 5.569 6.655 ( 0.790 0.456 0.000) 0.912 6.728 ( 0.696 0.402 0.000) 0.804 6.774 ( -2.940 -1.697 0.000) 3.395 6.985 ( -0.414 -0.239 0.000) 0.478 7.244 ( -0.572 -0.330 0.000) 0.661 7.403 ( 0.327 0.189 0.000) 0.378 8.792 ( 0.672 0.388 0.000) 0.776 8.835 ( -2.602 -1.503 0.000) 3.005 8.837 ( 0.072 0.041 0.000) 0.083 8.879 ( -5.394 -3.114 0.000) 6.229 9.111 ( 2.932 1.693 0.000) 3.385 9.182 ( -0.180 -0.104 0.000) 0.207 10.024 ( -1.229 -0.710 0.000) 1.419 10.082 ( -1.335 -0.771 0.000) 1.542 10.672 ( 0.407 0.235 0.000) 0.470 10.699 ( -1.337 -0.772 0.000) 1.544 11.187 ( -1.349 -0.779 0.000) 1.557 11.255 ( -1.579 -0.912 0.000) 1.824 11.491 ( 0.011 0.006 0.000) 0.012 11.622 ( 0.744 0.430 0.000) 0.859 12.344 ( 2.936 1.695 0.000) 3.390 12.486 ( -0.485 -0.280 0.000) 0.560 12.489 ( 6.034 3.484 0.000) 6.967 12.625 ( -5.104 -2.947 0.000) 5.893 13.415 ( 1.911 1.103 0.000) 2.206 13.494 ( 3.235 1.868 0.000) 3.736 13.678 ( -2.370 -1.369 0.000) 2.737 13.912 ( 3.497 2.019 0.000) 4.038 16.581 ( 0.537 0.310 0.000) 0.620 16.707 ( 0.886 0.512 0.000) 1.023 17.183 ( 5.793 3.344 0.000) 6.689 17.482 ( -15.658 -9.040 0.000) 18.080 17.636 ( 0.088 0.051 0.000) 0.102 17.702 ( -0.060 -0.035 0.000) 0.069 18.315 ( 3.056 1.765 0.000) 3.529 19.571 ( -1.565 -0.904 0.000) 1.808 ======================= Grid point 12 (7/68) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 11.882 20.581 17.715) 29.641 1.105 ( 14.948 25.890 17.531) 34.657 1.980 ( 25.278 43.783 -19.866) 54.319 2.294 ( -2.644 -4.580 -8.857) 10.316 2.468 ( -3.020 -5.230 12.311) 13.712 2.768 ( -1.315 -2.278 1.129) 2.862 2.792 ( 0.384 0.666 -9.907) 9.936 3.151 ( -3.893 -6.744 0.421) 7.798 3.213 ( 2.511 4.349 10.202) 11.371 3.528 ( -0.003 -0.005 -3.008) 3.008 3.671 ( 1.627 2.817 -5.565) 6.446 4.025 ( -7.347 -12.726 -5.433) 15.666 4.326 ( 1.375 2.381 7.904) 8.369 4.729 ( 1.249 2.163 -2.231) 3.349 4.974 ( 3.661 6.340 -0.975) 7.386 5.237 ( 0.972 1.683 -0.285) 1.964 6.745 ( -4.428 -7.670 1.253) 8.945 6.748 ( -3.988 -6.908 0.137) 7.977 6.856 ( -1.272 -2.204 -3.770) 4.548 6.868 ( -1.245 -2.156 2.850) 3.785 7.002 ( -0.073 -0.126 -2.234) 2.239 7.089 ( 3.270 5.664 1.922) 6.816 7.216 ( -3.862 -6.689 -2.622) 8.156 7.399 ( 1.152 1.996 5.188) 5.677 8.467 ( 1.889 3.272 0.373) 3.797 8.497 ( 2.941 5.094 -0.504) 5.904 9.091 ( -0.438 -0.758 0.078) 0.879 9.137 ( -2.306 -3.995 -0.833) 4.687 9.265 ( 0.058 0.101 -0.237) 0.264 9.344 ( 1.019 1.765 1.207) 2.368 10.590 ( -5.689 -9.853 -0.168) 11.379 10.649 ( -6.335 -10.972 0.919) 12.703 10.795 ( -0.517 -0.896 -0.300) 1.077 10.811 ( -0.373 -0.646 -0.062) 0.749 11.343 ( 2.558 4.431 0.909) 5.197 11.434 ( 1.312 2.273 -0.320) 2.644 11.492 ( -2.179 -3.775 -1.942) 4.772 11.593 ( -3.613 -6.259 0.806) 7.271 12.133 ( -3.128 -5.418 0.843) 6.313 12.200 ( -0.522 -0.904 -3.377) 3.535 12.347 ( 3.539 6.129 1.184) 7.176 12.786 ( 0.003 0.006 -5.157) 5.157 12.966 ( 2.720 4.710 -0.357) 5.451 13.085 ( 6.176 10.698 0.957) 12.390 13.106 ( 7.423 12.857 -1.476) 14.919 13.680 ( 1.044 1.808 11.962) 12.143 16.468 ( 1.518 2.630 -0.185) 3.043 16.514 ( 0.297 0.514 0.901) 1.079 17.230 ( 4.376 7.579 -1.574) 8.892 17.285 ( -0.358 -0.621 2.021) 2.144 17.475 ( -0.646 -1.119 -2.956) 3.226 17.565 ( 6.444 11.162 -1.469) 12.972 19.829 ( -1.736 -3.007 -1.407) 3.746 20.077 ( -18.259 -31.626 0.669) 36.525 ======================= Grid point 13 (8/68) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -11.548 26.701 12.080) 31.500 1.838 ( 33.851 4.950 13.374) 36.732 2.133 ( -14.472 3.536 -1.244) 14.950 2.430 ( 3.616 -7.045 0.753) 7.955 2.676 ( 1.437 -8.221 7.628) 11.307 2.800 ( 16.866 24.544 -1.231) 29.806 2.887 ( 7.076 12.352 -20.196) 24.709 2.964 ( -6.344 -6.780 -1.246) 9.368 3.300 ( 4.610 0.463 7.185) 8.549 3.536 ( -2.277 4.138 1.038) 4.836 3.654 ( -9.875 -5.774 -6.991) 13.407 3.801 ( 4.536 -6.892 -11.666) 14.288 4.395 ( 1.067 8.045 9.145) 12.226 4.832 ( 8.083 0.191 -0.860) 8.131 5.136 ( -0.260 11.289 -0.229) 11.295 5.279 ( 5.980 -0.188 0.385) 5.995 6.578 ( -5.803 -7.345 -0.090) 9.361 6.621 ( -2.232 -4.512 1.394) 5.223 6.768 ( -5.856 0.019 -2.563) 6.392 6.836 ( -1.727 -2.190 2.714) 3.892 6.991 ( -0.894 -0.910 -1.288) 1.813 7.060 ( -3.785 -8.021 -2.182) 9.134 7.196 ( 2.908 3.811 0.743) 4.851 7.408 ( -0.681 -0.677 3.271) 3.409 8.568 ( 4.176 5.362 0.356) 6.806 8.629 ( 4.845 5.889 -0.398) 7.637 9.021 ( -2.340 -5.659 0.379) 6.135 9.066 ( 0.557 -8.223 -0.207) 8.245 9.264 ( -2.293 2.735 -0.868) 3.673 9.351 ( -2.796 2.647 0.330) 3.865 10.364 ( -7.938 -8.727 -0.489) 11.807 10.401 ( -8.316 -9.752 1.424) 12.896 10.770 ( -1.934 0.283 -0.826) 2.122 10.789 ( -1.269 -0.590 0.396) 1.454 11.388 ( -3.404 -3.626 0.537) 5.002 11.423 ( 1.116 1.533 0.468) 1.953 11.474 ( -2.670 0.681 -0.133) 2.759 11.516 ( 1.872 0.701 -0.559) 2.075 12.052 ( 1.393 -5.675 0.458) 5.862 12.216 ( 1.852 2.298 -4.161) 5.102 12.449 ( 1.205 5.297 1.374) 5.603 12.786 ( 0.923 -3.446 -1.994) 4.087 13.052 ( 3.942 1.133 -0.068) 4.102 13.284 ( 5.748 6.045 1.666) 8.506 13.403 ( 8.379 15.361 -4.843) 18.156 13.726 ( 2.438 0.795 10.754) 11.056 16.517 ( 0.688 2.067 0.340) 2.205 16.548 ( 3.049 0.723 0.896) 3.259 17.242 ( -2.915 -2.207 -0.497) 3.690 17.401 ( 4.151 9.500 -0.981) 10.414 17.500 ( 2.798 2.579 -1.395) 4.053 17.819 ( 9.193 9.485 -1.891) 13.343 19.305 ( -28.457 -32.791 2.159) 43.471 19.749 ( -2.711 -4.480 -1.825) 5.545 ======================= Grid point 14 (9/68) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -7.078 21.195 7.137) 23.457 1.803 ( -24.149 2.417 -0.498) 24.274 2.299 ( 3.364 -5.750 3.292) 7.431 2.422 ( 7.879 4.884 1.676) 9.420 2.688 ( -1.448 -7.645 -3.150) 8.394 2.794 ( 10.424 -3.795 8.798) 14.159 3.063 ( 6.156 6.248 7.655) 11.641 3.176 ( -6.264 3.492 -11.752) 13.767 3.366 ( 0.607 -3.897 10.305) 11.034 3.541 ( 8.123 -0.267 -2.808) 8.599 3.612 ( 6.520 11.994 -16.879) 21.709 3.912 ( 9.413 -1.390 -7.850) 12.335 4.507 ( -0.896 10.541 6.420) 12.374 4.983 ( 7.881 -0.617 0.080) 7.905 5.166 ( 1.216 1.709 2.580) 3.325 5.481 ( 8.695 6.984 -0.759) 11.179 6.397 ( -5.826 -6.244 0.065) 8.540 6.567 ( -2.465 -2.436 0.366) 3.485 6.631 ( -7.042 -0.760 -2.614) 7.549 6.783 ( -2.505 1.165 3.685) 4.606 6.916 ( -3.213 -3.651 -0.658) 4.907 6.982 ( 0.424 -3.865 -1.729) 4.255 7.261 ( 0.756 1.806 -0.088) 1.960 7.380 ( -0.143 -1.839 2.100) 2.795 8.699 ( 3.416 3.463 0.250) 4.871 8.755 ( 3.558 1.791 -0.282) 3.994 8.923 ( -0.164 -7.073 -0.069) 7.075 9.000 ( 1.371 -5.804 0.165) 5.966 9.220 ( -6.818 4.876 -0.288) 8.387 9.306 ( -5.916 4.211 -0.462) 7.277 10.150 ( -6.443 -6.183 -0.255) 8.933 10.186 ( -5.210 -7.528 0.974) 9.207 10.734 ( -2.998 1.535 -0.716) 3.443 10.761 ( -1.558 0.533 0.238) 1.664 11.290 ( -3.631 -2.917 0.419) 4.676 11.362 ( -3.685 -2.267 1.199) 4.490 11.508 ( 0.230 4.248 0.008) 4.254 11.561 ( 1.677 0.420 -1.137) 2.069 12.078 ( 7.552 -5.232 0.077) 9.188 12.314 ( 5.006 4.171 -3.957) 7.623 12.496 ( -1.008 2.943 1.332) 3.384 12.738 ( -0.856 -4.970 1.831) 5.365 13.143 ( 6.983 -2.369 -0.374) 7.383 13.409 ( 3.702 1.349 0.875) 4.036 13.662 ( 3.394 8.952 1.488) 9.689 13.801 ( 3.792 6.747 0.205) 7.742 16.546 ( 0.830 1.130 0.339) 1.443 16.613 ( 3.452 -0.225 0.978) 3.595 17.164 ( -2.778 -1.277 -1.679) 3.488 17.557 ( 2.581 8.226 -0.152) 8.623 17.605 ( 2.624 6.923 -0.734) 7.440 18.061 ( 8.535 4.447 -5.472) 11.071 18.461 ( -28.628 -26.652 7.343) 39.797 19.646 ( -2.572 -5.848 -2.025) 6.702 ======================= Grid point 15 (10/68) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -24.040 8.403 -5.247) 26.001 1.440 ( 0.166 17.514 5.064) 18.233 2.086 ( -15.055 -5.270 0.682) 15.965 2.484 ( -2.178 4.727 -2.441) 5.748 2.812 ( 10.399 1.142 4.102) 11.237 2.911 ( 0.439 -1.265 7.681) 7.797 3.015 ( -1.671 -3.780 -3.354) 5.323 3.166 ( 0.744 0.371 -6.397) 6.451 3.410 ( 7.006 -4.556 8.494) 11.916 3.663 ( 7.357 -4.442 -3.806) 9.399 3.892 ( 8.804 10.511 -3.907) 14.257 4.055 ( 7.535 -3.034 -5.374) 9.740 4.545 ( -4.969 7.241 2.898) 9.248 5.049 ( 2.683 -2.703 0.848) 3.902 5.311 ( 8.848 3.412 0.143) 9.484 5.654 ( 5.360 0.520 0.627) 5.422 6.270 ( -3.011 -1.943 0.113) 3.585 6.396 ( -9.846 -0.344 -4.095) 10.670 6.611 ( 2.055 -1.271 2.009) 3.142 6.774 ( -1.539 3.506 2.218) 4.425 6.837 ( -3.589 0.168 0.591) 3.641 6.955 ( 1.102 -3.863 -2.091) 4.529 7.262 ( -1.165 0.399 0.907) 1.529 7.378 ( 1.396 -1.543 0.575) 2.158 8.712 ( 0.905 -5.404 0.467) 5.499 8.746 ( 0.105 -7.360 -0.554) 7.382 8.929 ( 0.600 3.521 -0.360) 3.589 8.994 ( -1.724 2.677 0.125) 3.187 9.162 ( -4.644 6.487 0.428) 7.990 9.245 ( -5.095 4.249 -0.681) 6.669 10.025 ( -1.753 -4.044 -0.439) 4.430 10.063 ( -0.794 -6.035 0.715) 6.128 10.703 ( -2.087 1.649 0.706) 2.752 10.747 ( -2.261 3.294 -1.033) 4.127 11.207 ( -2.444 -1.830 0.637) 3.119 11.281 ( -2.692 -1.712 1.294) 3.443 11.536 ( -2.010 4.497 -1.386) 5.117 11.590 ( 1.939 -0.921 -0.338) 2.174 12.193 ( 10.331 -4.531 0.539) 11.294 12.443 ( -0.391 2.797 -2.218) 3.591 12.471 ( 3.058 -3.131 -1.549) 4.642 12.678 ( -1.914 -1.341 4.407) 4.988 13.252 ( 8.822 -4.189 -0.625) 9.786 13.438 ( 1.867 -5.526 0.065) 5.833 13.716 ( -1.360 3.310 8.084) 8.841 13.981 ( 1.554 12.996 -8.408) 15.556 16.567 ( 0.829 -0.198 -0.688) 1.096 16.660 ( 2.955 -1.814 1.360) 3.724 17.144 ( 1.294 1.231 -1.550) 2.365 17.623 ( -7.173 -1.749 -1.592) 7.553 17.699 ( -1.779 6.226 -0.175) 6.477 17.785 ( -12.131 -8.034 0.416) 14.556 18.255 ( 5.370 2.253 4.493) 7.355 19.549 ( -0.679 -6.313 -2.159) 6.706 ======================= Grid point 16 (11/68) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -11.613 20.114 -7.847) 24.516 1.711 ( -4.489 7.775 -1.627) 9.124 1.763 ( -4.731 8.195 6.624) 11.551 2.500 ( -3.517 6.092 -2.421) 7.439 2.856 ( -0.139 0.241 3.940) 3.950 2.944 ( 1.656 -2.868 0.969) 3.450 2.984 ( -0.563 0.976 2.226) 2.495 3.182 ( 2.880 -4.989 -6.692) 8.830 3.458 ( 4.321 -7.484 4.569) 9.776 3.696 ( 2.851 -4.939 -1.739) 5.962 4.060 ( -0.717 1.242 2.077) 2.524 4.104 ( 4.126 -7.146 -5.537) 9.937 4.519 ( -4.736 8.203 2.249) 9.735 5.061 ( 2.436 -4.220 -0.138) 4.874 5.422 ( 0.402 -0.697 -1.083) 1.349 5.696 ( 3.008 -5.210 1.974) 6.331 6.241 ( -0.424 0.735 -0.136) 0.860 6.294 ( -2.776 4.809 -4.888) 7.398 6.629 ( 1.217 -2.107 2.623) 3.578 6.784 ( -2.209 3.825 1.466) 4.654 6.799 ( -2.029 3.514 1.515) 4.332 6.944 ( 2.067 -3.580 -2.730) 4.954 7.251 ( -0.520 0.901 1.578) 1.890 7.383 ( 1.087 -1.882 -0.047) 2.174 8.685 ( 3.487 -6.039 -0.783) 7.017 8.698 ( 2.761 -4.783 0.756) 5.574 8.948 ( -3.172 5.495 -0.555) 6.369 8.982 ( -3.704 6.415 0.440) 7.421 9.185 ( -2.980 5.162 0.055) 5.961 9.211 ( -1.820 3.153 -0.322) 3.655 9.991 ( 1.475 -2.555 -0.711) 3.035 10.026 ( 2.694 -4.665 0.739) 5.438 10.694 ( -0.821 1.422 1.775) 2.418 10.744 ( -2.997 5.191 -1.974) 6.311 11.175 ( 0.209 -0.362 0.651) 0.773 11.244 ( 0.094 -0.163 1.238) 1.252 11.540 ( -2.658 4.604 -1.831) 5.623 11.604 ( 1.109 -1.921 -0.004) 2.219 12.334 ( 5.046 -8.739 -7.970) 12.859 12.338 ( 1.921 -3.328 10.571) 11.248 12.540 ( 0.999 -1.730 -9.484) 9.692 12.646 ( -2.128 3.686 8.546) 9.547 13.349 ( 3.172 -5.493 -2.186) 6.709 13.385 ( 5.382 -9.322 1.177) 10.828 13.720 ( -2.244 3.887 8.306) 9.441 14.068 ( -5.760 9.976 -9.143) 14.707 16.572 ( 0.637 -1.103 -1.431) 1.916 16.678 ( 1.756 -3.042 1.245) 3.727 17.239 ( 0.736 -1.275 -2.062) 2.534 17.330 ( 0.880 -1.525 1.359) 2.224 17.717 ( -4.177 7.234 -1.100) 8.425 17.765 ( -3.101 5.371 2.220) 6.587 18.319 ( 0.818 -1.417 2.679) 3.139 19.508 ( 2.888 -5.001 -2.209) 6.183 ======================= Grid point 25 (12/68) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 4.447 7.703 5.440) 10.426 2.038 ( 8.714 15.092 15.890) 23.584 2.221 ( -4.222 -7.313 5.787) 10.236 2.318 ( 2.786 4.826 -6.692) 8.708 2.517 ( -1.065 -1.845 2.446) 3.244 2.776 ( -4.454 -7.714 -3.293) 9.497 3.046 ( 5.733 9.930 11.167) 16.006 3.245 ( 0.619 1.072 -4.768) 4.926 3.385 ( -7.256 -12.568 4.247) 15.121 3.404 ( 7.525 13.033 -11.615) 19.010 3.701 ( 2.351 4.072 -7.384) 8.754 3.741 ( 2.435 4.217 -16.249) 16.963 4.608 ( 6.653 11.523 9.444) 16.316 4.862 ( 1.250 2.164 -0.688) 2.592 5.179 ( -1.700 -2.945 3.244) 4.699 5.433 ( 6.405 11.094 -1.470) 12.894 6.417 ( -4.242 -7.347 -0.108) 8.485 6.561 ( -0.975 -1.689 1.407) 2.405 6.745 ( -1.238 -2.143 -5.247) 5.801 6.815 ( -0.861 -1.491 5.483) 5.747 6.881 ( -3.975 -6.885 -2.494) 8.332 6.967 ( -0.955 -1.653 -0.262) 1.927 7.265 ( 1.549 2.683 0.017) 3.098 7.370 ( -1.487 -2.576 3.004) 4.227 8.693 ( 3.144 5.445 0.509) 6.308 8.726 ( 0.682 1.182 -0.554) 1.473 8.888 ( -3.338 -5.782 -0.090) 6.677 8.947 ( -0.281 -0.487 0.243) 0.613 9.317 ( 0.982 1.702 -0.789) 2.118 9.383 ( 0.291 0.505 -0.295) 0.653 10.184 ( -4.960 -8.591 -1.028) 9.973 10.189 ( -5.930 -10.271 2.008) 12.028 10.773 ( -0.514 -0.891 1.355) 1.701 10.786 ( 0.644 1.115 -1.979) 2.361 11.310 ( -2.213 -3.833 0.662) 4.475 11.386 ( -1.961 -3.397 1.332) 4.143 11.527 ( 0.785 1.359 -0.840) 1.780 11.559 ( 2.487 4.307 0.472) 4.996 11.965 ( -1.106 -1.915 -0.219) 2.222 12.269 ( 1.803 3.123 -8.221) 8.977 12.548 ( 2.144 3.713 1.931) 4.702 12.699 ( -3.008 -5.209 4.346) 7.421 13.073 ( 0.658 1.141 -0.170) 1.328 13.352 ( 0.880 1.524 1.120) 2.085 13.749 ( 9.333 16.166 -9.364) 20.883 13.749 ( 0.953 1.651 12.140) 12.289 16.558 ( 0.756 1.309 1.862) 2.398 16.563 ( 0.608 1.054 -0.125) 1.223 17.186 ( -1.621 -2.808 -1.910) 3.763 17.602 ( 4.197 7.269 -1.170) 8.474 17.608 ( 5.475 9.482 -0.165) 10.950 18.000 ( 4.056 7.026 -5.894) 10.027 18.584 ( -20.001 -34.643 8.030) 40.800 19.633 ( -3.743 -6.482 -2.972) 8.054 ======================= Grid point 26 (13/68) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -4.361 17.070 3.193) 17.905 1.914 ( -22.718 6.501 -1.949) 23.710 2.197 ( -0.912 -2.971 5.211) 6.067 2.531 ( 13.935 0.290 -0.467) 13.946 2.565 ( 2.169 -0.164 -3.585) 4.193 2.803 ( 9.325 6.808 5.738) 12.893 3.086 ( -9.170 -2.880 5.814) 11.233 3.206 ( -2.358 -5.305 -5.351) 7.895 3.253 ( 5.282 -0.367 7.878) 9.492 3.511 ( 2.636 -2.534 -9.507) 10.186 3.807 ( 7.264 1.036 -2.666) 7.807 3.930 ( 6.461 6.845 -9.525) 13.391 4.737 ( -5.593 9.974 3.666) 12.008 4.943 ( 5.943 -3.651 1.319) 7.099 5.188 ( 5.969 2.100 1.872) 6.599 5.596 ( 2.688 2.245 -0.296) 3.515 6.302 ( -2.437 -2.138 0.001) 3.242 6.534 ( -1.990 -0.701 -2.194) 3.044 6.625 ( -7.938 -0.024 -1.384) 8.058 6.782 ( 3.472 -3.591 -1.472) 5.207 6.856 ( 0.393 0.594 2.013) 2.136 6.925 ( -1.694 -1.653 1.848) 3.003 7.291 ( -1.306 0.904 0.485) 1.661 7.333 ( 1.147 -2.158 1.450) 2.842 8.670 ( -1.987 -4.571 0.125) 4.986 8.686 ( -1.392 -6.264 -0.251) 6.421 8.917 ( 4.240 5.499 -0.229) 6.947 9.020 ( 2.408 4.902 0.136) 5.463 9.321 ( -3.888 4.601 -0.279) 6.030 9.380 ( -2.864 3.201 -0.618) 4.339 9.998 ( -3.218 -9.318 1.532) 9.976 10.022 ( -3.474 -7.505 -0.997) 8.330 10.752 ( -1.532 0.415 2.014) 2.564 10.820 ( -0.074 4.667 -2.800) 5.443 11.233 ( -2.603 -2.474 1.070) 3.747 11.307 ( -2.669 -3.098 1.567) 4.379 11.551 ( 0.941 0.264 1.473) 1.768 11.636 ( -0.600 6.488 -2.019) 6.821 11.985 ( 6.068 -3.064 -1.055) 6.879 12.339 ( 4.509 -3.052 -9.745) 11.163 12.531 ( -6.008 0.351 5.746) 8.321 12.646 ( 2.990 -2.717 5.270) 6.641 13.113 ( 3.466 -0.505 -0.434) 3.529 13.350 ( 0.546 -4.609 0.465) 4.665 13.773 ( -0.529 2.718 10.167) 10.537 14.056 ( 6.239 14.389 -10.928) 19.116 16.559 ( -0.481 -0.234 -0.056) 0.538 16.592 ( 2.039 -1.482 1.188) 2.787 17.145 ( -0.530 -0.462 -2.285) 2.391 17.733 ( -4.081 2.701 -2.061) 5.310 17.781 ( 2.763 8.306 -0.576) 8.772 17.872 ( -9.886 -14.483 -4.430) 18.086 18.199 ( 2.212 1.203 11.781) 12.047 19.494 ( -2.671 -8.535 -3.789) 9.712 ======================= Grid point 27 (14/68) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -19.092 17.343 -9.571) 27.512 1.829 ( 0.325 17.096 2.443) 17.273 2.048 ( -12.308 1.958 3.992) 13.086 2.625 ( -0.070 7.540 -4.886) 8.985 2.749 ( 11.604 -8.431 4.774) 15.117 2.907 ( -3.803 -0.693 3.560) 5.255 3.022 ( 0.902 7.328 4.650) 8.725 3.093 ( -0.650 -7.523 -10.850) 13.219 3.313 ( 2.889 -2.659 6.049) 7.211 3.551 ( 5.917 -6.031 -4.462) 9.555 3.905 ( 7.332 -9.386 -3.209) 12.335 4.067 ( 2.346 4.246 3.077) 5.745 4.725 ( -6.154 10.055 2.179) 11.989 4.947 ( 2.582 -6.421 -1.673) 7.120 5.364 ( 7.502 1.691 0.248) 7.694 5.579 ( 0.316 -7.600 1.798) 7.816 6.282 ( -1.435 3.118 -0.208) 3.439 6.439 ( -6.956 4.220 -7.885) 11.330 6.581 ( 1.341 -2.075 2.521) 3.530 6.822 ( 3.498 -2.349 -0.751) 4.279 6.870 ( -0.358 1.901 -0.330) 1.962 6.879 ( -2.383 0.420 3.869) 4.563 7.274 ( -0.882 0.701 2.085) 2.370 7.340 ( 1.235 -1.791 -0.354) 2.204 8.598 ( 0.188 -4.523 -0.490) 4.553 8.628 ( 0.511 -3.289 0.287) 3.341 9.026 ( 0.718 4.777 -0.035) 4.831 9.079 ( -1.021 4.133 -0.149) 4.259 9.306 ( -3.778 7.038 -0.156) 7.990 9.346 ( -5.888 6.361 -0.137) 8.669 9.898 ( 2.712 -9.181 0.955) 9.621 9.921 ( 0.818 -6.669 -0.925) 6.783 10.733 ( -1.519 1.569 2.491) 3.312 10.870 ( -2.158 7.468 -3.657) 8.590 11.173 ( -1.320 -1.514 1.314) 2.400 11.244 ( -0.987 -1.958 1.756) 2.809 11.564 ( 0.907 -0.891 2.630) 2.921 11.670 ( -3.783 7.997 -3.500) 9.514 12.102 ( 10.383 -3.814 -1.775) 11.202 12.268 ( -1.698 -12.342 -0.847) 12.487 12.520 ( 1.114 2.667 -2.484) 3.811 12.664 ( 1.318 -1.874 6.221) 6.629 13.184 ( 5.941 -2.362 -0.404) 6.406 13.282 ( -0.809 -6.987 0.035) 7.034 13.786 ( -1.128 2.577 9.272) 9.689 14.245 ( -0.705 11.232 -11.632) 16.185 16.546 ( 0.377 -1.580 -1.607) 2.284 16.601 ( 2.093 -3.699 1.131) 4.398 17.172 ( 3.439 1.245 -1.720) 4.042 17.378 ( -9.853 -11.481 0.227) 15.130 17.890 ( -2.409 10.248 1.138) 10.589 17.895 ( -2.653 9.621 1.396) 10.078 18.264 ( 3.165 -1.378 5.037) 6.106 19.386 ( 1.575 -8.874 -4.337) 10.002 ======================= Grid point 37 (15/68) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 5.046 8.739 -1.451) 10.195 1.997 ( 0.507 0.878 -8.476) 8.537 2.190 ( 0.465 0.806 9.927) 9.971 2.482 ( -0.224 -0.388 -0.295) 0.537 2.649 ( 3.272 5.668 -6.670) 9.344 2.963 ( -1.616 -2.799 4.656) 5.668 3.032 ( -4.441 -7.691 -3.084) 9.401 3.085 ( 6.180 10.704 3.889) 12.958 3.292 ( 0.917 1.589 1.609) 2.440 3.458 ( -1.123 -1.945 -6.591) 6.963 3.746 ( -2.693 -4.664 -0.401) 5.400 4.069 ( 2.359 4.086 3.310) 5.764 4.846 ( -0.665 -1.152 -2.046) 2.440 4.905 ( 1.707 2.957 1.648) 3.791 5.260 ( 2.632 4.558 1.809) 5.566 5.545 ( -3.719 -6.442 0.794) 7.481 6.321 ( 1.913 3.314 -0.153) 3.830 6.529 ( -0.191 -0.331 -4.957) 4.972 6.594 ( -1.787 -3.096 -0.262) 3.584 6.720 ( -0.832 -1.442 -6.969) 7.165 6.887 ( 0.903 1.564 6.058) 6.321 6.913 ( 0.205 0.355 3.655) 3.678 7.290 ( -0.278 -0.482 2.487) 2.549 7.314 ( -0.007 -0.011 -1.069) 1.069 8.575 ( -1.925 -3.334 -0.433) 3.873 8.607 ( -1.032 -1.787 0.126) 2.067 9.039 ( 3.049 5.281 0.009) 6.099 9.110 ( 1.694 2.934 -0.057) 3.388 9.404 ( 2.046 3.543 -0.387) 4.110 9.455 ( 2.383 4.127 -0.157) 4.769 9.801 ( -4.999 -8.659 0.867) 10.036 9.864 ( -4.340 -7.517 -0.720) 8.709 10.760 ( 0.195 0.338 2.496) 2.526 10.931 ( 3.234 5.601 -3.911) 7.558 11.187 ( -1.186 -2.054 1.200) 2.658 11.237 ( -1.947 -3.373 1.254) 4.091 11.560 ( 0.332 0.575 5.755) 5.793 11.771 ( 3.270 5.665 -4.151) 7.747 11.965 ( 0.732 1.267 -2.602) 2.986 12.196 ( -5.054 -8.753 -5.392) 11.456 12.543 ( 0.519 0.900 5.506) 5.603 12.613 ( -0.743 -1.287 1.667) 2.233 13.122 ( 0.764 1.324 -0.117) 1.533 13.253 ( -2.566 -4.444 0.678) 5.176 13.810 ( 0.605 1.047 9.168) 9.247 14.311 ( 5.355 9.275 -12.144) 16.192 16.535 ( -0.873 -1.512 0.275) 1.767 16.557 ( -1.170 -2.027 -0.841) 2.487 17.150 ( 0.594 1.028 -1.762) 2.125 17.409 ( -8.478 -14.685 -0.344) 16.960 17.972 ( 4.040 6.997 3.827) 8.940 17.989 ( 5.457 9.451 -0.953) 10.955 18.215 ( -0.171 -0.296 6.655) 6.663 19.316 ( -4.456 -7.717 -5.448) 10.445 ======================= Grid point 38 (16/68) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -7.515 13.017 -12.332) 19.442 2.062 ( -2.542 4.403 -3.900) 6.407 2.177 ( -5.801 10.048 10.997) 15.986 2.496 ( 8.112 -14.050 5.074) 16.999 2.753 ( -2.521 4.366 -6.189) 7.983 2.899 ( 0.280 -0.484 0.297) 0.633 2.915 ( 4.042 -7.001 -8.304) 11.589 3.237 ( -5.945 10.296 2.764) 12.206 3.340 ( -2.602 4.507 3.438) 6.237 3.420 ( 3.390 -5.872 -3.292) 7.537 3.676 ( 6.215 -10.764 -1.323) 12.500 4.101 ( 0.083 -0.144 10.974) 10.976 4.832 ( 1.799 -3.116 -6.880) 7.764 4.941 ( -5.059 8.762 2.810) 10.500 5.383 ( 1.024 -1.775 1.010) 2.284 5.388 ( 3.732 -6.465 2.606) 7.907 6.378 ( -2.998 5.194 -0.265) 6.003 6.512 ( 2.169 -3.757 -1.439) 4.570 6.554 ( -3.251 5.630 -5.942) 8.807 6.706 ( 3.645 -6.313 -5.981) 9.430 6.909 ( -0.791 1.370 6.041) 6.244 6.918 ( -0.627 1.086 3.848) 4.047 7.287 ( -0.239 0.413 2.408) 2.455 7.314 ( 0.349 -0.605 -1.169) 1.362 8.542 ( 0.658 -1.139 -0.526) 1.417 8.592 ( 0.372 -0.644 0.203) 0.771 9.105 ( -1.405 2.434 0.115) 2.813 9.133 ( -0.518 0.897 -0.163) 1.048 9.455 ( -4.308 7.462 -0.305) 8.621 9.514 ( -4.833 8.370 0.211) 9.667 9.695 ( 5.193 -8.995 0.320) 10.391 9.762 ( 4.705 -8.149 -0.435) 9.420 10.764 ( -0.595 1.031 2.517) 2.784 11.010 ( -2.657 4.603 -5.145) 7.397 11.153 ( -0.069 0.119 1.615) 1.621 11.197 ( 1.468 -2.543 1.358) 3.235 11.567 ( -0.564 0.977 8.017) 8.096 11.835 ( -3.624 6.276 -5.465) 9.077 12.029 ( 3.168 -5.487 -1.566) 6.526 12.049 ( 2.532 -4.385 -4.999) 7.116 12.559 ( -0.559 0.968 1.227) 1.659 12.592 ( 2.027 -3.511 3.872) 5.605 13.154 ( 0.340 -0.590 0.085) 0.686 13.188 ( 1.259 -2.181 0.897) 2.673 13.820 ( -0.468 0.811 8.642) 8.692 14.411 ( -2.479 4.293 -12.332) 13.291 16.517 ( 0.508 -0.880 -1.584) 1.883 16.528 ( 1.407 -2.438 -0.015) 2.815 17.186 ( 0.082 -0.142 -1.063) 1.075 17.234 ( 1.509 -2.614 1.006) 3.182 18.057 ( -3.874 6.710 5.241) 9.354 18.096 ( -3.766 6.523 -0.257) 7.537 18.203 ( 2.397 -4.151 5.141) 7.028 19.225 ( 3.015 -5.223 -6.389) 8.786 ======================= Grid point 133 (17/68) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 0.000 0.000 35.182) 35.182 0.704 ( -0.000 0.000 35.182) 35.182 1.057 ( 0.000 0.000 52.477) 52.477 2.326 ( 0.000 0.000 -16.604) 16.604 2.326 ( 0.000 -0.000 -16.604) 16.604 2.913 ( 0.000 -0.000 8.408) 8.408 2.913 ( -0.000 -0.000 8.408) 8.408 3.157 ( -0.000 0.000 -13.378) 13.378 3.472 ( 0.000 0.000 -8.245) 8.245 3.472 ( 0.000 -0.000 -8.245) 8.245 3.642 ( -0.000 0.000 8.110) 8.110 4.350 ( 0.000 -0.000 5.422) 5.422 4.350 ( 0.000 -0.000 5.422) 5.422 4.560 ( 0.000 -0.000 -0.769) 0.769 4.560 ( 0.000 0.000 -0.769) 0.769 4.815 ( 0.000 0.000 -23.972) 23.972 6.892 ( 0.000 0.000 -0.175) 0.175 6.892 ( -0.000 0.000 -0.175) 0.175 6.904 ( 0.000 -0.000 -0.411) 0.411 6.904 ( 0.000 -0.000 -0.411) 0.411 6.912 ( 0.000 0.000 2.696) 2.696 7.203 ( -0.000 -0.000 -3.301) 3.301 7.246 ( -0.000 0.000 19.443) 19.443 8.103 ( 0.000 0.000 -5.320) 5.320 8.460 ( -0.000 0.000 4.317) 4.317 8.974 ( 0.000 0.000 -7.657) 7.657 9.090 ( 0.000 0.000 1.893) 1.893 9.090 ( 0.000 0.000 1.893) 1.893 9.240 ( 0.000 -0.000 -1.634) 1.634 9.240 ( -0.000 -0.000 -1.634) 1.634 10.818 ( 0.000 0.000 0.034) 0.034 10.818 ( 0.000 -0.000 0.034) 0.034 10.821 ( 0.000 0.000 -0.047) 0.047 10.821 ( -0.000 -0.000 -0.047) 0.047 10.963 ( -0.000 -0.000 3.512) 3.512 11.207 ( 0.000 0.000 -2.368) 2.368 11.936 ( 0.000 0.000 0.389) 0.389 11.968 ( -0.000 0.000 -0.357) 0.357 12.039 ( 0.000 -0.000 2.489) 2.489 12.039 ( 0.000 0.000 2.489) 2.489 12.260 ( 0.000 -0.000 -2.687) 2.687 12.260 ( 0.000 -0.000 -2.687) 2.687 12.780 ( 0.000 0.000 0.148) 0.148 12.780 ( 0.000 0.000 0.148) 0.148 12.791 ( 0.000 -0.000 -0.107) 0.107 12.791 ( 0.000 0.000 -0.107) 0.107 16.415 ( -0.000 0.000 0.957) 0.957 16.498 ( 0.000 0.000 -0.968) 0.968 17.090 ( 0.000 -0.000 2.160) 2.160 17.090 ( 0.000 0.000 2.160) 2.160 17.267 ( 0.000 -0.000 -1.998) 1.998 17.267 ( 0.000 0.000 -1.998) 1.998 20.805 ( -0.000 -0.000 0.489) 0.489 20.846 ( 0.000 0.000 -0.476) 0.476 ======================= Grid point 134 (18/68) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 17.960 24.033 9.397) 31.440 0.916 ( -4.149 25.162 35.108) 43.393 1.629 ( 43.189 2.577 33.755) 54.876 2.152 ( -4.390 -6.055 -19.524) 20.908 2.550 ( 3.288 7.933 -8.867) 12.344 2.769 ( -4.518 -5.430 3.977) 8.106 2.869 ( -0.119 -4.004 6.471) 7.610 3.149 ( -2.037 -1.170 -8.562) 8.879 3.323 ( -10.665 -3.064 1.385) 11.183 3.490 ( -2.021 6.133 -3.887) 7.537 3.514 ( 3.849 -6.202 0.600) 7.324 4.288 ( -1.669 -2.839 7.165) 7.886 4.397 ( -1.010 4.638 9.553) 10.667 4.661 ( 10.210 -1.635 -1.830) 10.501 4.756 ( -3.131 -1.230 -19.196) 19.489 4.960 ( 13.920 9.138 -14.136) 21.843 6.829 ( -3.357 -2.041 -1.226) 4.116 6.861 ( -4.495 -1.537 0.902) 4.835 6.880 ( -2.770 -2.519 -0.878) 3.846 6.908 ( -0.712 0.935 -0.912) 1.487 6.949 ( 2.428 -0.972 0.957) 2.785 7.192 ( 0.602 0.609 -3.944) 4.036 7.227 ( -1.655 -0.253 15.331) 15.423 7.725 ( -22.233 -9.969 12.737) 27.494 8.451 ( -0.238 0.378 2.140) 2.186 8.476 ( -2.869 -2.720 4.184) 5.756 9.101 ( 0.567 0.263 1.905) 2.005 9.204 ( 2.409 -3.873 -0.579) 4.597 9.248 ( -1.175 1.791 -0.559) 2.214 9.296 ( 0.106 4.189 -0.984) 4.304 10.735 ( -6.636 -4.029 -0.336) 7.770 10.774 ( -6.690 -3.047 -2.933) 7.915 10.814 ( -0.917 -0.843 0.037) 1.246 10.822 ( -0.580 -0.726 -0.081) 0.933 11.261 ( 3.708 2.974 -1.087) 4.876 11.283 ( 10.139 3.744 -5.403) 12.084 11.655 ( -6.263 -4.994 5.756) 9.864 11.737 ( -10.379 -4.971 0.792) 11.536 12.176 ( -2.594 -2.406 -3.907) 5.271 12.181 ( 0.471 -1.908 -2.539) 3.210 12.281 ( 4.330 4.576 2.855) 6.917 12.693 ( 11.081 -4.562 -11.427) 16.559 12.871 ( 7.268 2.247 0.097) 7.609 12.904 ( 7.001 5.175 0.360) 8.713 12.912 ( 8.647 7.787 0.867) 11.669 13.145 ( 22.538 28.226 -21.818) 42.198 16.433 ( 1.595 0.745 0.582) 1.854 16.499 ( -0.046 0.635 -0.972) 1.162 17.138 ( 5.341 0.074 1.804) 5.638 17.261 ( 1.267 5.727 -2.127) 6.239 17.333 ( 9.590 2.935 -5.168) 11.283 17.377 ( 9.492 2.896 -1.974) 10.118 20.292 ( -25.656 -16.202 19.376) 36.002 20.545 ( -21.049 -11.741 0.124) 24.103 ======================= Grid point 135 (19/68) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -3.049 20.026 27.686) 34.305 1.511 ( 24.012 32.788 -8.976) 41.620 2.015 ( -4.611 -5.788 -13.700) 15.571 2.317 ( 24.381 -2.625 10.508) 26.678 2.545 ( -1.239 -5.870 -5.365) 8.049 2.704 ( 2.487 6.645 5.284) 8.846 2.968 ( 5.141 -2.791 2.501) 6.362 3.090 ( -0.147 5.295 -3.292) 6.237 3.126 ( -3.911 -7.605 -5.594) 10.219 3.511 ( -2.429 5.895 6.760) 9.292 3.587 ( 9.646 -4.035 -8.664) 13.579 4.157 ( -7.840 -9.601 15.395) 19.765 4.418 ( -1.295 6.796 8.789) 11.185 4.805 ( 5.532 7.638 -9.594) 13.453 4.830 ( 10.049 -2.482 -3.152) 10.820 5.174 ( 5.005 3.913 -8.802) 10.855 6.703 ( -7.061 -2.482 0.291) 7.490 6.735 ( -5.862 -2.665 0.468) 6.456 6.780 ( -3.623 -3.618 0.946) 5.207 6.876 ( -2.824 -1.227 -1.385) 3.376 6.985 ( 2.404 -1.436 0.417) 2.831 7.198 ( -1.635 0.719 6.187) 6.440 7.203 ( -1.221 -2.780 -0.111) 3.039 7.397 ( -9.138 -0.252 -0.099) 9.142 8.493 ( 3.488 2.607 0.475) 4.380 8.527 ( 5.409 2.437 -0.336) 5.942 9.100 ( -1.038 0.160 1.530) 1.856 9.203 ( 2.037 -4.879 0.661) 5.328 9.227 ( -3.130 1.528 -0.567) 3.529 9.301 ( -2.518 0.542 -0.718) 2.674 10.521 ( -10.294 -6.390 -0.408) 12.123 10.552 ( -11.551 -5.263 -1.987) 12.848 10.784 ( -1.483 -1.297 0.497) 2.032 10.801 ( -1.193 -0.671 -0.039) 1.369 11.362 ( 3.388 3.278 -0.013) 4.714 11.409 ( 2.346 0.639 -2.338) 3.373 11.516 ( -4.623 -4.464 1.864) 6.692 11.560 ( -4.234 -1.724 2.177) 5.063 12.110 ( -1.507 -1.053 -2.973) 3.495 12.149 ( 0.471 -2.090 -2.418) 3.230 12.410 ( 3.862 3.877 4.573) 7.132 12.769 ( 4.336 -3.883 -5.787) 8.208 13.045 ( 9.689 0.715 1.202) 9.789 13.094 ( 6.003 7.629 0.963) 9.755 13.209 ( 14.574 6.287 1.818) 15.976 13.583 ( 3.650 17.169 -10.225) 20.313 16.480 ( 2.169 1.051 0.069) 2.411 16.520 ( 1.155 2.049 -0.932) 2.530 17.267 ( 6.232 2.987 1.146) 7.005 17.305 ( 0.781 1.135 2.477) 2.834 17.468 ( 3.601 -0.628 -0.707) 3.723 17.617 ( 12.049 4.711 -2.279) 13.136 19.861 ( -10.597 -8.371 3.528) 13.957 19.879 ( -33.659 -17.829 1.214) 38.109 ======================= Grid point 136 (20/68) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -2.487 11.908 21.897) 25.049 1.833 ( -9.280 -6.859 -2.636) 11.837 2.237 ( 19.332 27.893 -8.310) 34.940 2.373 ( -3.459 -3.893 -6.529) 8.352 2.524 ( 0.986 -0.509 -7.371) 7.454 2.798 ( -3.621 -6.216 -5.269) 8.917 2.920 ( 4.908 4.253 0.895) 6.555 3.079 ( 1.178 -1.556 -12.461) 12.613 3.401 ( 19.242 0.676 13.773) 23.673 3.512 ( -2.613 1.697 7.618) 8.231 3.764 ( 11.314 -1.221 -8.301) 14.085 3.899 ( -4.558 -8.695 18.939) 21.332 4.490 ( 0.505 6.932 8.675) 11.116 4.950 ( 4.717 0.654 -4.255) 6.386 5.031 ( 7.491 8.587 -2.946) 11.770 5.310 ( 8.115 4.008 -6.031) 10.876 6.554 ( -8.418 -4.678 3.268) 10.170 6.612 ( -2.726 0.079 0.068) 2.728 6.681 ( -3.507 -5.617 1.331) 6.755 6.787 ( -5.323 0.019 -1.405) 5.506 6.976 ( -2.466 -1.682 0.823) 3.096 7.063 ( -4.268 -5.576 1.298) 7.141 7.215 ( 1.348 0.963 -0.992) 1.931 7.343 ( -1.600 2.630 -5.178) 6.024 8.618 ( 6.017 3.848 0.506) 7.160 8.673 ( 6.586 3.383 -0.759) 7.443 9.073 ( -2.087 0.609 1.276) 2.521 9.141 ( -4.717 -3.539 0.914) 5.967 9.184 ( 0.399 -4.385 -1.118) 4.543 9.214 ( -6.812 -0.837 -0.693) 6.898 10.269 ( -9.500 -5.925 -0.368) 11.202 10.304 ( -9.550 -4.107 -1.233) 10.469 10.736 ( -1.615 -2.139 0.714) 2.774 10.767 ( -1.877 -0.384 -0.146) 1.921 11.365 ( -4.078 -2.025 1.490) 4.790 11.406 ( -3.217 -1.549 -0.236) 3.578 11.451 ( 1.682 2.524 0.773) 3.130 11.549 ( 2.206 -0.793 0.012) 2.345 12.110 ( 1.325 1.228 -3.177) 3.655 12.177 ( 3.886 -0.336 -3.393) 5.169 12.503 ( 2.630 3.060 5.229) 6.605 12.780 ( 0.264 -1.698 -2.668) 3.174 13.214 ( 8.882 -0.892 1.589) 9.067 13.261 ( 3.477 8.216 0.927) 8.969 13.520 ( 14.391 2.548 1.799) 14.725 13.733 ( -1.413 10.166 -2.055) 10.468 16.524 ( 1.411 1.365 0.168) 1.971 16.580 ( 2.508 2.343 -1.306) 3.672 17.262 ( -2.935 -2.724 5.861) 7.098 17.435 ( 6.874 3.486 1.188) 7.799 17.521 ( 3.472 0.411 -0.089) 3.498 17.852 ( 7.860 2.366 -7.483) 11.107 19.073 ( -33.404 -15.622 8.253) 37.788 19.661 ( -5.121 -5.462 -6.701) 10.048 ======================= Grid point 137 (21/68) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 3.640 8.227 15.958) 18.319 1.532 ( -13.037 -9.370 9.782) 18.800 2.257 ( -8.804 -6.008 2.790) 11.018 2.400 ( -1.689 -3.922 -5.431) 6.909 2.726 ( 8.629 11.102 -1.686) 14.162 2.820 ( 0.300 8.733 -8.955) 12.512 3.057 ( 2.901 5.266 -8.216) 10.181 3.142 ( 7.244 0.699 -11.461) 13.576 3.338 ( -5.901 -5.835 13.965) 16.244 3.689 ( 9.668 1.291 1.393) 9.853 3.819 ( 6.371 -5.662 1.270) 8.618 3.995 ( 6.813 1.901 0.116) 7.074 4.561 ( 1.085 3.293 9.057) 9.698 5.022 ( 1.795 2.236 -3.805) 4.765 5.247 ( 8.653 6.869 2.110) 11.248 5.544 ( 9.952 5.406 -3.819) 11.952 6.361 ( -7.091 -3.548 2.444) 8.297 6.479 ( -7.266 -8.527 1.929) 11.368 6.620 ( -0.437 1.455 -0.526) 1.607 6.729 ( -2.282 1.508 -1.000) 2.913 6.873 ( -4.941 -1.541 1.006) 5.272 6.993 ( -0.091 -3.175 -1.086) 3.357 7.243 ( 0.511 0.538 -1.210) 1.420 7.353 ( 0.044 1.691 -3.622) 3.998 8.749 ( 3.626 2.686 0.563) 4.548 8.799 ( 3.704 1.556 -0.583) 4.060 8.976 ( -7.482 -4.621 0.568) 8.812 9.038 ( -4.521 -6.049 -0.926) 7.609 9.072 ( -3.254 3.105 1.370) 4.701 9.165 ( 1.040 -1.310 -0.991) 1.944 10.094 ( -4.470 -3.159 0.138) 5.475 10.143 ( -5.040 -1.747 -0.869) 5.405 10.692 ( -0.799 -1.644 0.867) 2.023 10.731 ( -1.713 -0.179 -0.157) 1.730 11.272 ( -3.736 -1.815 2.102) 4.655 11.331 ( -3.563 -0.436 1.127) 3.763 11.496 ( 1.279 0.166 1.058) 1.668 11.581 ( 1.996 -0.368 -1.013) 2.269 12.171 ( 1.611 4.337 -5.297) 7.032 12.262 ( 6.089 -1.820 -5.964) 8.716 12.571 ( 1.691 2.954 6.199) 7.071 12.749 ( -2.113 -0.689 0.900) 2.398 13.338 ( 6.661 -2.194 0.724) 7.050 13.391 ( 1.767 7.868 0.149) 8.065 13.735 ( -1.839 9.713 0.930) 9.929 13.796 ( 10.043 -4.978 2.133) 11.410 16.559 ( 1.276 0.542 0.197) 1.400 16.643 ( 1.549 2.351 -1.981) 3.442 17.183 ( -1.343 -2.929 4.734) 5.727 17.566 ( 3.766 1.558 0.778) 4.149 17.600 ( 3.788 1.954 -0.467) 4.288 17.813 ( -11.640 -8.184 -15.883) 21.325 18.545 ( -11.128 -1.384 20.186) 23.092 19.541 ( -2.840 -4.242 -9.502) 10.786 ======================= Grid point 138 (22/68) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -4.576 -9.918 20.765) 23.462 1.553 ( 9.889 8.104 8.233) 15.207 1.944 ( -15.110 -4.942 9.613) 18.578 2.434 ( 4.111 -1.269 0.915) 4.399 2.812 ( -1.736 2.592 -6.358) 7.082 2.928 ( 1.976 4.743 0.150) 5.140 3.005 ( -5.917 -1.596 -2.763) 6.723 3.236 ( 5.663 -4.161 2.721) 7.536 3.393 ( 2.718 7.146 -10.935) 13.342 3.754 ( 0.112 -2.772 -0.804) 2.889 3.949 ( 6.775 3.629 -2.850) 8.197 4.071 ( 1.855 -2.242 -6.539) 7.157 4.587 ( -0.287 0.778 11.096) 11.127 5.064 ( 0.787 1.226 -3.357) 3.659 5.436 ( 5.262 1.715 3.300) 6.444 5.705 ( 2.306 3.286 -2.943) 4.978 6.261 ( -1.581 -0.721 1.594) 2.358 6.299 ( -2.243 -6.661 2.321) 7.401 6.625 ( -1.472 2.656 -2.038) 3.657 6.716 ( -0.816 0.709 -1.964) 2.242 6.803 ( -2.003 0.402 3.052) 3.673 6.971 ( 0.875 -2.548 -1.347) 3.012 7.247 ( -0.787 1.191 0.297) 1.458 7.371 ( 0.432 0.351 -2.974) 3.025 8.794 ( -1.652 3.562 0.161) 3.930 8.825 ( 2.462 -7.568 -0.645) 7.984 8.847 ( -2.226 0.684 0.543) 2.391 8.876 ( -5.642 -0.861 -0.274) 5.713 9.120 ( 2.508 1.619 0.869) 3.108 9.176 ( 0.283 -0.376 -0.618) 0.777 10.030 ( -0.675 -1.335 0.605) 1.614 10.078 ( -1.678 0.115 -0.470) 1.746 10.680 ( 0.239 0.220 0.712) 0.782 10.701 ( -1.110 -0.740 0.140) 1.341 11.208 ( -1.673 -0.551 2.095) 2.737 11.279 ( -1.915 0.357 1.973) 2.773 11.506 ( 0.823 -1.327 1.412) 2.105 11.608 ( 0.974 -0.091 -1.371) 1.684 12.231 ( -1.696 6.455 -7.536) 10.067 12.333 ( 5.902 -6.214 -8.407) 12.005 12.630 ( 0.527 4.706 6.429) 7.984 12.696 ( -2.338 -1.646 4.602) 5.418 13.404 ( 3.956 -3.655 -0.539) 5.413 13.481 ( -0.102 5.593 -1.355) 5.756 13.727 ( -6.897 9.651 4.543) 12.702 13.926 ( 9.671 -9.266 0.782) 13.416 16.577 ( 1.072 -1.051 -0.254) 1.523 16.681 ( 0.009 2.083 -2.553) 3.295 17.187 ( 3.871 0.213 0.780) 3.955 17.424 ( -12.911 -6.982 -5.029) 15.515 17.635 ( 1.367 -0.657 0.057) 1.518 17.675 ( 0.624 2.739 -1.536) 3.202 18.499 ( -0.754 2.902 16.046) 16.323 19.473 ( -0.383 -2.857 -9.710) 10.129 ======================= Grid point 145 (23/68) ======================= q-point: ( 0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 16.090 27.869 4.043) 32.433 1.562 ( 13.489 23.364 26.899) 38.097 1.789 ( 12.157 21.056 11.569) 26.926 2.047 ( -1.599 -2.769 -16.458) 16.766 2.511 ( -4.960 -8.590 -10.447) 14.406 2.778 ( 1.528 2.647 6.340) 7.039 2.847 ( 1.537 2.663 7.150) 7.783 3.091 ( -4.198 -7.271 -6.322) 10.510 3.265 ( -0.445 -0.770 -15.751) 15.776 3.386 ( -0.550 -0.952 -1.228) 1.648 3.589 ( 1.010 1.749 7.301) 7.575 4.177 ( -5.253 -9.099 14.859) 18.198 4.518 ( 2.864 4.960 10.047) 11.565 4.627 ( 1.469 2.544 -8.788) 9.266 4.843 ( 4.903 8.492 -11.036) 14.763 5.134 ( 3.675 6.366 -8.100) 10.938 6.771 ( -3.942 -6.828 1.270) 7.986 6.772 ( -2.944 -5.099 -0.131) 5.890 6.784 ( -2.483 -4.301 -1.093) 5.086 6.911 ( -0.369 -0.639 1.473) 1.647 6.938 ( 0.154 0.267 -2.170) 2.192 7.196 ( -1.114 -1.930 -0.826) 2.376 7.222 ( -0.011 -0.020 8.998) 8.998 7.498 ( -5.177 -8.966 3.209) 10.840 8.482 ( 1.711 2.963 1.068) 3.585 8.489 ( 2.347 4.064 -0.280) 4.702 9.107 ( -0.480 -0.832 1.522) 1.800 9.125 ( -2.046 -3.543 -0.415) 4.113 9.262 ( -0.097 -0.167 -0.084) 0.211 9.357 ( 0.774 1.340 0.034) 1.548 10.582 ( -5.824 -10.088 -0.554) 11.662 10.635 ( -5.520 -9.560 -1.997) 11.218 10.796 ( -0.766 -1.327 0.381) 1.579 10.810 ( -0.220 -0.381 -0.053) 0.443 11.358 ( 2.945 5.100 0.631) 5.923 11.366 ( 2.246 3.890 -3.557) 5.729 11.538 ( -3.220 -5.577 3.542) 7.350 11.616 ( -3.182 -5.511 1.397) 6.515 12.100 ( -1.421 -2.462 -5.686) 6.357 12.132 ( -2.409 -4.173 -0.646) 4.862 12.406 ( 3.670 6.357 4.518) 8.619 12.666 ( 1.033 1.789 -6.406) 6.730 12.965 ( 3.287 5.693 0.323) 6.582 13.070 ( 6.005 10.401 -1.018) 12.053 13.115 ( 6.010 10.410 0.788) 12.046 13.660 ( 9.621 16.665 -10.459) 21.901 16.464 ( 1.258 2.178 -0.147) 2.519 16.521 ( 0.831 1.439 -0.238) 1.679 17.219 ( 4.050 7.014 0.431) 8.111 17.329 ( 0.490 0.849 2.228) 2.434 17.416 ( 1.703 2.949 -1.396) 3.680 17.516 ( 5.916 10.246 -3.311) 12.286 19.920 ( -8.903 -15.421 7.474) 19.312 20.096 ( -17.312 -29.986 1.120) 34.643 ======================= Grid point 146 (24/68) ======================= q-point: ( 0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -13.659 19.311 22.419) 32.590 1.983 ( -5.526 5.214 -10.500) 12.960 2.136 ( 21.133 16.930 10.375) 28.998 2.364 ( -0.602 -6.743 -10.189) 12.233 2.380 ( 18.786 16.236 -15.391) 29.213 2.764 ( -2.447 -8.842 0.616) 9.195 2.854 ( -5.035 -9.229 -7.240) 12.765 2.998 ( 11.840 6.182 5.805) 14.564 3.287 ( -3.571 8.250 -7.266) 11.559 3.507 ( 11.498 -1.325 0.179) 11.576 3.587 ( -0.432 0.383 5.132) 5.164 3.916 ( -8.688 -12.952 17.717) 23.603 4.593 ( -1.491 9.750 8.170) 12.808 4.786 ( 10.548 0.838 -2.512) 10.875 5.060 ( 4.922 13.555 -7.311) 16.168 5.227 ( 4.128 0.955 -5.310) 6.793 6.612 ( -5.598 -7.277 3.181) 9.717 6.653 ( -2.786 -3.466 1.612) 4.730 6.707 ( -3.633 -2.803 -2.667) 5.307 6.877 ( -3.377 1.086 0.102) 3.549 6.954 ( 1.783 -1.449 -1.337) 2.659 7.072 ( -5.059 -9.073 3.068) 10.832 7.227 ( -0.384 1.609 1.854) 2.485 7.390 ( -2.092 -0.895 -4.858) 5.364 8.579 ( 3.969 5.602 0.757) 6.907 8.615 ( 5.048 5.704 -0.986) 7.680 9.034 ( -1.886 -6.301 0.826) 6.629 9.061 ( 0.134 -7.898 -0.317) 7.905 9.257 ( -2.289 2.820 0.240) 3.640 9.353 ( -3.199 2.301 -0.145) 3.943 10.351 ( -7.918 -9.228 -0.827) 12.187 10.409 ( -8.383 -8.297 -0.565) 11.808 10.760 ( -1.944 -0.819 -0.109) 2.112 10.797 ( -1.105 0.161 0.359) 1.173 11.406 ( -2.575 -1.695 0.797) 3.184 11.428 ( -0.013 0.881 -0.173) 0.898 11.460 ( 1.138 0.843 -0.006) 1.416 11.539 ( -1.854 0.309 1.841) 2.631 12.032 ( -0.808 -3.531 -2.797) 4.577 12.126 ( 5.165 -2.973 -3.091) 6.714 12.509 ( 0.892 5.553 4.351) 7.111 12.726 ( 3.289 0.220 -3.736) 4.983 13.075 ( 4.487 1.850 2.061) 5.273 13.305 ( 4.775 6.796 0.259) 8.309 13.319 ( 9.851 8.804 -3.466) 13.659 13.868 ( 0.565 9.263 2.480) 9.606 16.515 ( 1.535 2.074 -0.474) 2.623 16.560 ( 1.778 1.670 0.152) 2.444 17.289 ( -3.205 -3.101 5.486) 7.070 17.395 ( 5.549 8.933 0.246) 10.519 17.483 ( 2.929 3.026 -0.201) 4.216 17.739 ( 7.906 5.969 -5.670) 11.414 19.390 ( -25.434 -27.459 6.069) 37.918 19.675 ( -5.260 -8.977 -5.449) 11.745 ======================= Grid point 147 (25/68) ======================= q-point: ( 0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -9.803 14.922 16.013) 23.983 1.807 ( -18.479 4.263 1.176) 19.001 2.296 ( -1.222 -2.437 -6.180) 6.755 2.453 ( -5.201 -4.072 -0.805) 6.654 2.643 ( 10.810 6.790 3.666) 13.282 2.821 ( 11.965 -6.792 -3.369) 14.165 2.875 ( 7.496 10.996 -15.694) 20.577 3.197 ( -0.512 10.438 -13.600) 17.152 3.387 ( 3.627 -2.123 11.080) 11.850 3.472 ( 0.595 -5.755 2.756) 6.408 3.671 ( 5.087 -3.373 4.925) 7.843 3.839 ( 10.589 0.317 7.118) 12.763 4.644 ( -3.523 7.393 5.439) 9.831 4.965 ( 7.180 1.209 -1.714) 7.480 5.199 ( 2.881 4.523 1.358) 5.532 5.420 ( 10.409 7.543 -5.498) 13.981 6.430 ( -6.067 -6.495 3.227) 9.456 6.562 ( -8.396 -4.719 -0.808) 9.665 6.615 ( -0.005 -0.390 0.631) 0.742 6.828 ( -4.227 3.270 -0.175) 5.347 6.909 ( -1.728 -7.802 0.545) 8.010 6.954 ( -0.413 -1.283 -0.607) 1.478 7.243 ( 0.294 1.658 -1.649) 2.357 7.365 ( -0.353 -0.482 -3.231) 3.286 8.709 ( 3.335 3.471 0.730) 4.869 8.746 ( 3.681 2.059 -0.684) 4.273 8.927 ( -0.499 -7.827 0.477) 7.858 8.996 ( 1.522 -5.686 -0.533) 5.910 9.223 ( -6.069 5.266 0.610) 8.058 9.296 ( -6.483 3.956 -0.496) 7.611 10.138 ( -5.966 -6.538 -0.786) 8.886 10.198 ( -5.879 -6.538 0.039) 8.793 10.719 ( -2.289 0.692 -0.500) 2.444 10.775 ( -1.887 1.081 0.909) 2.357 11.315 ( -3.660 -2.428 1.844) 4.763 11.388 ( -3.102 -1.130 1.107) 3.482 11.514 ( 0.154 3.314 0.765) 3.405 11.539 ( 1.034 0.413 -0.975) 1.480 12.036 ( 5.769 -4.552 -3.904) 8.321 12.218 ( 6.151 -0.149 -4.148) 7.421 12.554 ( -0.372 2.326 3.811) 4.480 12.768 ( 0.845 0.672 0.513) 1.195 13.171 ( 6.458 -2.052 2.901) 7.371 13.415 ( 3.631 -0.007 -0.149) 3.635 13.581 ( 8.386 9.056 -6.025) 13.735 13.920 ( -2.995 6.580 7.384) 10.334 16.550 ( 0.525 0.999 0.082) 1.131 16.616 ( 2.779 0.810 -0.671) 2.971 17.188 ( -2.993 -3.695 4.387) 6.470 17.561 ( 1.880 6.479 0.407) 6.758 17.592 ( 3.796 8.297 -0.589) 9.143 17.840 ( -0.425 -4.848 -12.680) 13.582 18.746 ( -17.959 -13.768 17.458) 28.581 19.519 ( -2.594 -8.104 -10.493) 13.509 ======================= Grid point 148 (26/68) ======================= q-point: ( 0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -17.866 3.787 10.326) 20.980 1.618 ( -4.045 13.713 11.228) 18.179 2.158 ( -11.394 -2.006 6.354) 13.200 2.395 ( 2.080 3.240 -6.119) 7.229 2.860 ( 1.869 3.643 -2.762) 4.939 2.949 ( 1.040 3.640 -0.668) 3.844 2.978 ( 10.437 -7.880 -8.280) 15.479 3.125 ( -8.822 -4.947 9.335) 13.764 3.401 ( 3.708 6.323 -8.612) 11.309 3.606 ( 10.061 -6.589 -1.680) 12.144 3.843 ( 9.760 6.948 -0.641) 11.997 3.997 ( 5.700 -1.902 0.216) 6.013 4.636 ( -3.086 4.361 5.569) 7.718 5.034 ( 2.032 -2.243 -2.505) 3.929 5.345 ( 6.938 2.962 3.266) 8.220 5.637 ( 6.894 2.168 -2.469) 7.637 6.291 ( -3.478 -2.662 2.068) 4.843 6.344 ( -8.684 -4.239 -1.220) 9.740 6.631 ( 1.618 -0.124 0.081) 1.625 6.796 ( -3.825 4.270 -1.150) 5.847 6.852 ( 0.087 -1.379 1.652) 2.154 6.920 ( -0.998 -2.194 -1.015) 2.615 7.267 ( 0.323 1.638 -0.324) 1.700 7.359 ( 0.345 -0.999 -2.318) 2.548 8.721 ( 0.317 -6.621 0.343) 6.637 8.735 ( 0.758 -6.290 -0.323) 6.343 8.928 ( 0.196 3.709 0.223) 3.720 8.989 ( -1.621 2.641 -0.536) 3.145 9.180 ( -4.325 6.118 1.274) 7.600 9.229 ( -4.980 4.664 -0.835) 6.874 10.016 ( -1.409 -4.501 -0.383) 4.732 10.074 ( -1.137 -5.320 0.323) 5.449 10.701 ( -1.539 2.699 -0.722) 3.189 10.754 ( -2.336 2.034 1.473) 3.430 11.235 ( -2.695 -1.485 1.918) 3.626 11.319 ( -2.715 -1.165 2.000) 3.568 11.521 ( -1.610 2.356 0.017) 2.854 11.578 ( 1.737 0.486 -0.636) 1.913 12.119 ( 8.117 -5.419 -6.257) 11.593 12.316 ( 2.915 2.248 -6.470) 7.444 12.548 ( 0.901 -3.822 5.216) 6.529 12.780 ( -1.189 2.660 4.130) 5.054 13.263 ( 6.979 -3.699 1.649) 8.069 13.437 ( 3.092 -6.880 0.003) 7.543 13.787 ( 4.174 8.109 -7.013) 11.505 13.919 ( -4.143 6.179 8.045) 10.957 16.553 ( 0.031 -1.162 -0.643) 1.328 16.666 ( 2.394 -0.487 -0.714) 2.545 17.137 ( 0.790 -1.232 1.136) 1.853 17.542 ( -9.494 -8.546 -6.716) 14.431 17.684 ( -3.008 4.355 -1.613) 5.533 17.734 ( 0.104 8.242 -1.143) 8.321 18.531 ( -1.791 -0.586 19.094) 19.186 19.413 ( 0.261 -8.132 -11.449) 14.045 ======================= Grid point 149 (27/68) ======================= q-point: ( 0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -6.333 10.969 16.843) 21.074 1.711 ( -4.077 7.061 1.640) 8.317 1.999 ( -5.231 9.061 15.258) 18.501 2.459 ( -1.817 3.148 -1.376) 3.887 2.848 ( -0.387 0.671 -9.598) 9.629 2.943 ( 1.588 -2.750 -3.131) 4.459 3.021 ( -2.011 3.484 1.879) 4.440 3.087 ( 5.109 -8.848 3.926) 10.946 3.457 ( 0.754 -1.306 -5.016) 5.238 3.677 ( 3.078 -5.331 -0.335) 6.164 3.979 ( 2.809 -4.865 -5.603) 7.934 4.038 ( -1.621 2.808 -3.951) 5.111 4.633 ( -2.507 4.343 8.132) 9.554 5.035 ( 2.533 -4.388 -2.639) 5.712 5.429 ( 0.888 -1.538 1.712) 2.467 5.707 ( 1.987 -3.442 -1.135) 4.133 6.232 ( -0.313 0.542 -1.188) 1.342 6.251 ( -0.094 0.163 1.234) 1.249 6.650 ( 0.362 -0.627 -0.253) 0.767 6.782 ( -2.622 4.541 -1.745) 5.526 6.856 ( -2.705 4.685 3.997) 6.726 6.891 ( 2.719 -4.709 -2.485) 5.978 7.280 ( -0.990 1.715 1.240) 2.337 7.356 ( 0.892 -1.545 -2.612) 3.163 8.672 ( 3.315 -5.742 -0.480) 6.648 8.710 ( 3.005 -5.205 0.487) 6.030 8.939 ( -3.565 6.175 -0.228) 7.134 8.985 ( -3.226 5.587 -0.111) 6.452 9.194 ( -3.149 5.455 0.755) 6.344 9.205 ( -1.858 3.218 -0.201) 3.721 9.982 ( 1.840 -3.188 -0.138) 3.683 10.038 ( 2.327 -4.031 0.463) 4.677 10.709 ( -1.845 3.195 -1.607) 4.024 10.738 ( -1.749 3.029 2.590) 4.352 11.201 ( -0.048 0.083 1.807) 1.810 11.285 ( -0.073 0.127 2.209) 2.214 11.518 ( -1.393 2.412 -0.249) 2.797 11.597 ( 0.223 -0.386 -0.321) 0.550 12.173 ( 4.673 -8.094 -8.166) 12.411 12.354 ( -1.770 3.066 -7.577) 8.363 12.531 ( 4.063 -7.037 7.136) 10.814 12.783 ( -2.187 3.789 5.171) 6.773 13.321 ( 2.306 -3.994 -0.656) 4.658 13.414 ( 6.253 -10.830 1.747) 12.627 13.880 ( -2.703 4.682 -9.742) 11.142 13.904 ( -3.886 6.731 10.225) 12.843 16.543 ( 1.072 -1.857 -1.418) 2.571 16.686 ( 1.015 -1.759 -0.460) 2.082 17.173 ( 1.235 -2.140 -3.341) 4.156 17.336 ( 0.514 -0.890 -0.734) 1.263 17.699 ( -3.853 6.674 -0.773) 7.745 17.783 ( -4.096 7.094 0.090) 8.192 18.527 ( 0.081 -0.141 16.420) 16.421 19.371 ( 3.958 -6.855 -11.399) 13.877 ======================= Grid point 158 (28/68) ======================= q-point: ( 0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 1.016 1.760 11.002) 11.188 2.148 ( 4.186 7.250 -10.173) 13.175 2.218 ( -2.679 -4.640 -5.204) 7.469 2.421 ( 5.120 8.868 15.855) 18.874 2.525 ( -6.023 -10.432 0.394) 12.053 2.671 ( 0.381 0.660 -3.246) 3.334 2.864 ( 10.199 17.665 -18.614) 27.614 3.211 ( 6.499 11.257 -2.248) 13.192 3.346 ( -0.575 -0.995 -14.924) 14.968 3.501 ( -3.236 -5.606 7.365) 9.805 3.594 ( 1.189 2.060 15.723) 15.902 3.716 ( -0.209 -0.362 8.044) 8.055 4.800 ( 4.163 7.211 8.595) 11.967 4.817 ( 1.755 3.040 -3.891) 5.241 5.210 ( -0.010 -0.017 0.467) 0.467 5.357 ( 7.315 12.669 -6.403) 15.969 6.450 ( -4.345 -7.525 3.287) 9.290 6.596 ( -1.566 -2.712 1.708) 3.567 6.652 ( -1.598 -2.767 -3.847) 5.001 6.852 ( -5.085 -8.807 0.065) 10.170 6.911 ( -0.182 -0.315 3.582) 3.601 6.938 ( 0.065 0.112 -2.667) 2.670 7.258 ( 0.694 1.202 -0.720) 1.563 7.361 ( -0.888 -1.539 -3.592) 4.007 8.707 ( 3.102 5.373 0.881) 6.267 8.714 ( 0.959 1.661 -0.619) 2.016 8.890 ( -3.558 -6.163 0.254) 7.121 8.944 ( -0.391 -0.678 -0.569) 0.968 9.314 ( 1.104 1.912 0.516) 2.267 9.378 ( 0.182 0.316 -0.136) 0.389 10.161 ( -5.122 -8.871 -1.272) 10.322 10.217 ( -5.695 -9.865 0.743) 11.415 10.752 ( 0.018 0.032 -1.341) 1.342 10.801 ( 0.080 0.139 1.409) 1.418 11.341 ( -2.021 -3.500 2.217) 4.610 11.407 ( -1.567 -2.714 0.323) 3.150 11.514 ( 1.955 3.387 -0.448) 3.936 11.567 ( 0.871 1.508 0.417) 1.791 11.969 ( -1.427 -2.472 1.179) 3.088 12.095 ( 0.858 1.486 -8.258) 8.434 12.611 ( 1.962 3.399 4.004) 5.607 12.743 ( 0.294 0.509 -0.304) 0.661 13.100 ( 0.441 0.764 2.674) 2.816 13.353 ( 0.478 0.829 -1.142) 1.490 13.581 ( 7.518 13.021 -7.532) 16.816 13.981 ( 1.467 2.540 10.115) 10.532 16.556 ( 0.906 1.569 -0.706) 1.945 16.586 ( 0.532 0.921 0.873) 1.376 17.199 ( -2.677 -4.637 3.935) 6.645 17.592 ( 4.041 6.999 0.158) 8.083 17.605 ( 6.124 10.607 -0.383) 12.254 17.801 ( -1.075 -1.861 -11.359) 11.560 18.843 ( -12.926 -22.389 15.817) 30.307 19.495 ( -4.871 -8.437 -10.742) 14.501 ======================= Grid point 159 (29/68) ======================= q-point: ( 0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -7.526 9.072 4.072) 12.471 1.947 ( -18.447 5.162 5.461) 19.919 2.276 ( -2.263 2.140 -0.022) 3.114 2.402 ( -0.461 0.537 -7.870) 7.902 2.560 ( 18.341 -9.101 -0.349) 20.478 2.915 ( 4.679 12.239 4.421) 13.828 2.980 ( -0.938 -0.492 -8.696) 8.760 3.258 ( -10.393 -8.488 11.718) 17.815 3.350 ( 8.099 -3.832 -5.323) 10.421 3.415 ( 0.957 4.020 -4.483) 6.097 3.769 ( 9.023 12.411 0.152) 15.345 3.837 ( 8.423 -0.036 4.657) 9.625 4.781 ( -6.165 5.822 0.351) 8.487 4.942 ( 4.742 -4.169 -1.578) 6.509 5.263 ( 4.855 3.089 5.511) 7.968 5.559 ( 4.489 3.865 -3.583) 6.923 6.323 ( -3.057 -3.235 2.254) 4.989 6.476 ( -8.621 -3.759 -2.969) 9.862 6.608 ( -0.291 -0.226 -1.130) 1.188 6.740 ( 2.788 -7.561 -1.097) 8.133 6.907 ( -2.377 3.936 1.009) 4.707 6.950 ( 0.090 0.709 1.280) 1.466 7.276 ( 0.219 1.297 -1.585) 2.060 7.340 ( 0.198 -1.326 -0.905) 1.617 8.673 ( -1.407 -4.742 0.190) 4.949 8.680 ( -2.036 -6.352 -0.330) 6.678 8.924 ( 4.093 5.853 0.896) 7.198 9.013 ( 2.484 4.807 -0.736) 5.461 9.325 ( -3.321 4.448 0.719) 5.597 9.372 ( -3.140 3.663 -0.141) 4.827 9.997 ( -3.446 -7.196 -1.265) 8.079 10.028 ( -3.312 -9.692 1.116) 10.303 10.764 ( -0.698 3.489 -2.191) 4.178 10.802 ( -0.714 1.302 2.443) 2.859 11.269 ( -2.713 -2.187 2.118) 4.078 11.336 ( -2.023 -3.679 0.902) 4.294 11.579 ( 0.681 3.627 1.094) 3.849 11.590 ( -1.079 3.775 -1.982) 4.398 11.959 ( 3.495 -2.651 -1.269) 4.566 12.167 ( 7.105 -3.652 -6.971) 10.603 12.611 ( -5.455 2.709 3.116) 6.841 12.756 ( 3.267 -3.116 4.067) 6.077 13.128 ( 3.366 -1.464 2.056) 4.207 13.340 ( 0.205 -4.601 -1.556) 4.861 13.830 ( 4.998 12.365 -10.478) 16.961 14.004 ( -0.877 2.101 11.692) 11.912 16.558 ( -1.499 -0.262 -0.105) 1.526 16.606 ( 2.190 -1.897 0.137) 2.901 17.127 ( -1.043 -1.879 0.921) 2.338 17.609 ( -8.957 -11.156 -9.787) 17.334 17.758 ( 3.028 8.266 -1.140) 8.877 17.808 ( 3.406 10.984 0.199) 11.502 18.554 ( -3.978 -5.328 20.305) 21.366 19.329 ( -2.644 -10.099 -12.618) 16.377 ======================= Grid point 160 (30/68) ======================= q-point: ( 0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -15.856 10.772 4.808) 19.763 1.881 ( -3.816 10.056 3.042) 11.177 2.213 ( -7.347 7.545 10.411) 14.809 2.503 ( 4.007 6.086 -7.330) 10.336 2.737 ( 8.604 -12.158 -10.220) 18.063 2.862 ( -0.652 -2.736 -6.428) 7.016 3.033 ( -4.768 -3.309 10.235) 11.765 3.102 ( -0.878 7.340 2.794) 7.902 3.404 ( 1.235 -3.520 1.200) 3.919 3.510 ( 9.023 -2.506 0.354) 9.371 3.865 ( 2.617 -7.095 -1.457) 7.701 4.071 ( 4.756 9.318 -1.900) 10.633 4.767 ( -3.199 8.329 2.188) 9.187 4.912 ( 1.150 -8.410 -1.763) 8.670 5.386 ( 4.277 1.225 1.745) 4.779 5.597 ( 2.575 -6.118 -0.275) 6.643 6.279 ( -1.532 1.769 0.246) 2.354 6.307 ( -6.286 0.714 -4.776) 7.927 6.613 ( 1.415 -1.859 0.643) 2.423 6.739 ( 4.400 -6.853 -4.198) 9.162 6.909 ( -2.605 4.863 0.982) 5.603 6.954 ( -2.016 3.709 3.679) 5.600 7.300 ( 1.034 1.024 -0.147) 1.462 7.327 ( -0.333 -1.304 -0.282) 1.375 8.592 ( -0.025 -4.482 -0.098) 4.483 8.631 ( 0.839 -3.392 0.036) 3.494 9.031 ( 0.461 5.117 0.535) 5.165 9.072 ( -1.110 4.067 -0.517) 4.247 9.309 ( -4.137 6.408 0.504) 7.644 9.349 ( -5.235 7.303 0.375) 8.993 9.903 ( 1.122 -6.518 -0.878) 6.672 9.919 ( 2.426 -9.430 1.122) 9.801 10.790 ( -1.351 4.442 0.378) 4.658 10.804 ( -1.921 3.464 0.028) 3.961 11.209 ( -1.392 -1.234 1.948) 2.694 11.277 ( -0.387 -2.709 0.990) 2.910 11.599 ( -2.690 5.208 -3.478) 6.816 11.616 ( -1.009 3.369 2.933) 4.579 12.016 ( 5.311 -4.006 -5.301) 8.506 12.229 ( 6.914 -9.786 -2.978) 12.347 12.537 ( -4.043 2.465 3.013) 5.613 12.779 ( 2.968 -3.822 4.601) 6.678 13.186 ( 5.476 -3.342 0.620) 6.445 13.275 ( -0.661 -5.886 -0.760) 5.972 13.986 ( -0.326 7.510 -2.560) 7.941 14.009 ( -1.600 4.254 1.755) 4.872 16.518 ( -0.829 -1.830 -1.156) 2.318 16.619 ( 2.517 -3.817 0.758) 4.634 17.131 ( 1.792 0.519 -1.997) 2.733 17.349 ( -5.736 -7.823 -2.565) 10.034 17.872 ( -3.035 11.691 -0.940) 12.115 17.935 ( -1.887 10.001 1.053) 10.232 18.502 ( 0.721 -2.298 17.137) 17.306 19.212 ( 2.414 -10.770 -13.007) 17.059 ======================= Grid point 166 (31/68) ======================= q-point: (-0.09 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -11.634 20.151 5.225) 23.848 0.994 ( -8.278 14.338 12.532) 20.764 2.137 ( 0.831 -1.440 -20.130) 20.199 2.346 ( -11.130 19.277 16.111) 27.478 2.483 ( -4.292 7.433 10.863) 13.844 2.746 ( 5.207 -9.019 -2.430) 10.694 2.913 ( -5.412 9.374 -5.718) 12.241 3.094 ( 3.104 -5.376 -4.076) 7.426 3.239 ( -0.242 0.419 16.093) 16.100 3.393 ( 0.934 -1.619 -11.108) 11.264 3.647 ( -3.301 5.717 -6.279) 9.111 4.298 ( -0.498 0.863 5.361) 5.453 4.313 ( 4.059 -7.030 16.575) 18.456 4.693 ( -1.135 1.966 -7.015) 7.373 4.910 ( -6.218 10.771 -4.774) 13.322 5.110 ( -2.592 4.490 -11.960) 13.035 6.727 ( 4.138 -7.167 -0.481) 8.290 6.769 ( 3.406 -5.899 1.787) 7.042 6.811 ( 2.288 -3.962 -2.739) 5.333 6.900 ( 0.324 -0.561 0.932) 1.135 7.004 ( -1.203 2.083 1.305) 2.737 7.189 ( 0.878 -1.521 8.439) 8.620 7.219 ( -1.011 1.750 -4.924) 5.323 7.405 ( 7.656 -13.260 5.978) 16.437 8.467 ( -1.534 2.656 0.339) 3.086 8.507 ( -2.404 4.163 0.493) 4.832 9.100 ( 1.043 -1.807 0.817) 2.241 9.156 ( 2.622 -4.541 0.971) 5.333 9.275 ( -0.840 1.454 1.001) 1.955 9.313 ( -1.460 2.528 -1.854) 3.458 10.589 ( 5.517 -9.556 -0.188) 11.036 10.610 ( 6.264 -10.850 -2.428) 12.762 10.803 ( 0.363 -0.629 0.352) 0.807 10.811 ( 0.543 -0.940 -0.016) 1.086 11.325 ( -2.453 4.249 -0.848) 4.980 11.400 ( -1.628 2.820 -1.712) 3.679 11.580 ( 1.853 -3.209 4.515) 5.841 11.586 ( 4.043 -7.003 0.117) 8.087 12.095 ( 2.792 -4.836 -2.860) 6.273 12.211 ( -0.389 0.673 -2.092) 2.232 12.363 ( -3.062 5.303 2.576) 6.643 12.815 ( -0.261 0.452 -3.710) 3.746 12.990 ( -2.926 5.067 2.271) 6.277 13.051 ( -5.545 9.605 -2.055) 11.279 13.162 ( -10.008 17.334 3.976) 20.407 13.321 ( -5.739 9.941 -16.947) 20.468 16.473 ( -1.523 2.638 0.418) 3.074 16.491 ( 0.018 -0.031 -1.210) 1.210 17.257 ( -0.892 1.545 -0.677) 1.908 17.273 ( -4.244 7.351 2.520) 8.855 17.478 ( -2.437 4.221 -2.140) 5.323 17.567 ( -6.388 11.065 -1.279) 12.841 19.964 ( 7.984 -13.828 8.794) 18.228 20.071 ( 18.347 -31.778 -0.051) 36.694 ======================= Grid point 170 (32/68) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -2.903 -5.029 -0.641) 5.842 1.920 ( 2.436 4.219 -1.567) 5.117 2.387 ( 1.499 2.596 8.617) 9.123 2.467 ( 2.947 5.104 -0.676) 5.932 2.506 ( 3.741 6.479 -7.550) 10.629 2.858 ( -3.875 -6.712 -10.131) 12.756 3.068 ( -4.925 -8.530 8.329) 12.899 3.232 ( 7.232 12.526 9.184) 17.134 3.250 ( -2.348 -4.067 -5.700) 7.385 3.461 ( 0.975 1.688 1.393) 2.396 3.780 ( -2.648 -4.587 3.165) 6.170 4.076 ( 7.289 12.624 -1.245) 14.630 4.801 ( -3.301 -5.717 -2.212) 6.962 4.917 ( 2.846 4.930 -0.559) 5.720 5.326 ( 1.662 2.879 4.347) 5.472 5.543 ( -2.858 -4.951 -1.384) 5.882 6.310 ( 0.964 1.670 -0.453) 1.981 6.400 ( -2.012 -3.484 -5.944) 7.178 6.597 ( -0.787 -1.364 -4.753) 5.007 6.619 ( -2.024 -3.506 1.218) 4.228 6.970 ( 1.112 1.927 1.602) 2.742 6.987 ( 1.364 2.362 3.847) 4.716 7.288 ( 0.051 0.088 -1.635) 1.639 7.329 ( 0.086 0.148 1.407) 1.418 8.571 ( -1.915 -3.318 0.031) 3.831 8.607 ( -1.011 -1.751 -0.121) 2.025 9.049 ( 3.003 5.202 0.875) 6.070 9.105 ( 1.781 3.085 -0.495) 3.596 9.408 ( 2.160 3.741 0.820) 4.397 9.456 ( 2.529 4.380 0.167) 5.061 9.822 ( -5.274 -9.136 1.238) 10.621 9.844 ( -4.110 -7.119 -1.193) 8.306 10.824 ( 0.480 0.831 3.960) 4.075 10.851 ( 2.488 4.309 -4.059) 6.422 11.221 ( -1.345 -2.330 1.865) 3.273 11.256 ( -2.004 -3.471 0.304) 4.020 11.666 ( 2.370 4.105 4.880) 6.804 11.670 ( 2.055 3.560 -5.942) 7.225 11.931 ( 0.030 0.052 -0.162) 0.173 12.086 ( -2.492 -4.317 -4.938) 7.017 12.649 ( -1.551 -2.687 4.335) 5.331 12.651 ( -1.025 -1.776 1.594) 2.597 13.129 ( 0.726 1.257 0.730) 1.624 13.251 ( -2.210 -3.828 -0.918) 4.515 14.027 ( 0.270 0.467 12.616) 12.627 14.048 ( 4.554 7.888 -13.698) 16.450 16.539 ( -1.578 -2.733 -0.793) 3.254 16.548 ( -0.985 -1.705 0.980) 2.200 17.119 ( 0.666 1.154 -1.044) 1.692 17.361 ( -5.852 -10.136 -3.736) 12.286 17.974 ( 5.803 10.051 -0.669) 11.625 18.014 ( 4.721 8.177 1.175) 9.515 18.478 ( -1.572 -2.723 17.793) 18.069 19.121 ( -5.274 -9.134 -14.020) 17.544 ======================= Grid point 171 (33/68) ======================= q-point: ( 0.36 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -6.079 10.529 -4.000) 12.799 1.981 ( 0.968 -1.677 -4.198) 4.623 2.412 ( -5.238 9.072 12.468) 16.285 2.542 ( 2.570 -4.452 -1.312) 5.305 2.617 ( -2.068 3.583 -7.895) 8.913 2.767 ( 3.410 -5.906 -4.321) 8.073 2.956 ( 1.790 -3.100 6.622) 7.528 3.179 ( 0.033 -0.056 -6.192) 6.193 3.427 ( -3.076 5.328 3.682) 7.170 3.483 ( -0.153 0.264 6.708) 6.714 3.687 ( 4.870 -8.435 1.217) 9.816 4.219 ( -2.304 3.991 0.041) 4.609 4.728 ( 3.278 -5.677 -2.465) 7.004 4.984 ( -5.176 8.964 1.596) 10.473 5.396 ( 0.596 -1.032 -0.117) 1.197 5.428 ( 4.075 -7.059 1.049) 8.218 6.344 ( -1.850 3.204 -2.652) 4.552 6.355 ( -1.680 2.910 -7.274) 8.013 6.562 ( 1.240 -2.147 0.841) 2.618 6.597 ( 3.338 -5.782 -3.978) 7.772 6.993 ( -1.575 2.729 2.762) 4.190 7.013 ( -0.725 1.255 4.143) 4.389 7.290 ( 0.415 -0.719 -1.359) 1.593 7.332 ( -0.307 0.531 1.968) 2.061 8.538 ( 0.606 -1.049 0.186) 1.226 8.592 ( 0.424 -0.735 -0.172) 0.865 9.112 ( -1.300 2.252 0.593) 2.667 9.130 ( -0.769 1.331 -0.153) 1.545 9.461 ( -4.587 7.945 0.873) 9.215 9.520 ( -4.714 8.166 0.210) 9.431 9.709 ( 5.572 -9.651 1.028) 11.192 9.749 ( 4.480 -7.760 -0.835) 8.999 10.833 ( -0.596 1.032 4.511) 4.665 10.907 ( -2.139 3.704 -5.143) 6.689 11.188 ( 0.195 -0.337 1.570) 1.618 11.218 ( 1.500 -2.599 0.380) 3.025 11.711 ( -2.378 4.119 -7.042) 8.498 11.716 ( -3.293 5.703 6.860) 9.510 11.957 ( 1.172 -2.029 -3.541) 4.246 12.008 ( 5.169 -8.953 0.189) 10.339 12.589 ( -1.239 2.146 1.287) 2.792 12.657 ( 3.214 -5.567 2.277) 6.820 13.156 ( -0.107 0.186 0.037) 0.218 13.198 ( 1.253 -2.171 0.040) 2.507 14.031 ( -0.356 0.617 12.521) 12.542 14.134 ( -2.102 3.640 -14.808) 15.393 16.496 ( -0.041 0.071 -0.447) 0.454 16.535 ( 1.951 -3.380 0.839) 3.992 17.154 ( -0.878 1.520 -1.833) 2.538 17.234 ( 1.973 -3.418 -0.852) 4.037 18.095 ( -4.363 7.557 0.019) 8.726 18.109 ( -3.238 5.608 1.059) 6.561 18.444 ( 1.502 -2.601 16.988) 17.251 19.010 ( 3.947 -6.837 -14.994) 16.946 ======================= Grid point 177 (34/68) ======================= q-point: (-0.18 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 2.056 17.525 9.373) 19.980 1.625 ( -35.285 5.740 -7.620) 36.552 2.050 ( 10.723 4.592 -8.342) 14.341 2.397 ( -3.836 -2.538 -0.265) 4.608 2.540 ( 5.434 -6.353 -5.419) 9.962 2.783 ( -6.199 3.292 0.931) 7.080 2.928 ( 8.036 -6.972 -2.356) 10.896 3.144 ( -1.858 7.314 -8.360) 11.262 3.371 ( -6.228 8.734 1.143) 10.788 3.450 ( -7.918 8.205 17.412) 20.813 3.777 ( -3.896 7.844 -4.457) 9.827 4.080 ( 10.684 -5.809 16.795) 20.736 4.374 ( -5.519 1.893 7.572) 9.559 4.809 ( -7.847 1.614 -2.668) 8.443 5.069 ( 3.060 7.264 -7.083) 10.597 5.211 ( -9.103 4.228 -5.931) 11.659 6.607 ( 2.210 -3.889 0.670) 4.523 6.618 ( 5.592 -7.176 3.005) 9.581 6.737 ( 1.902 -2.296 -3.531) 4.622 6.853 ( 4.906 -0.677 2.226) 5.430 7.007 ( 1.903 -1.168 1.160) 2.516 7.134 ( 5.849 -7.633 4.283) 10.527 7.199 ( -1.687 1.372 0.632) 2.265 7.281 ( -1.469 -1.647 -8.480) 8.763 8.566 ( -4.441 5.286 0.161) 6.906 8.629 ( -4.556 6.082 -0.373) 7.609 9.021 ( 2.176 -6.052 0.356) 6.441 9.069 ( -0.100 -8.782 0.004) 8.783 9.289 ( 2.602 3.112 1.550) 4.342 9.338 ( 2.344 3.458 -1.109) 4.323 10.361 ( 8.375 -9.923 -1.675) 13.092 10.374 ( 7.499 -8.358 -0.104) 11.229 10.778 ( 1.801 -0.874 -0.295) 2.023 10.790 ( 1.290 0.624 0.679) 1.585 11.390 ( 2.164 -2.765 0.567) 3.557 11.417 ( -2.370 2.564 -0.139) 3.495 11.459 ( 4.063 -1.686 -0.760) 4.465 11.557 ( -0.612 0.493 2.440) 2.563 12.023 ( -0.904 -4.539 -2.289) 5.163 12.239 ( -0.138 4.543 -1.955) 4.948 12.460 ( -2.336 3.633 2.306) 4.896 12.788 ( 0.576 -3.788 -1.818) 4.241 13.091 ( -5.059 0.579 3.669) 6.276 13.244 ( -6.546 5.582 -2.219) 8.884 13.448 ( -4.302 8.375 -4.573) 10.467 13.580 ( -12.123 11.326 1.795) 16.688 16.502 ( -1.088 0.683 -0.888) 1.562 16.537 ( -2.560 1.691 -0.121) 3.070 17.281 ( 0.093 -0.382 2.975) 3.001 17.430 ( -3.448 8.577 1.730) 9.404 17.529 ( -1.265 3.150 1.431) 3.684 17.798 ( -6.939 8.464 -4.101) 11.687 19.315 ( 26.195 -32.383 3.084) 41.765 19.740 ( 6.044 -6.312 -2.637) 9.129 ======================= Grid point 189 (35/68) ======================= q-point: (-0.27 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 1.332 14.657 10.004) 17.796 1.838 ( 17.209 4.967 3.445) 18.240 2.240 ( -22.807 -3.470 -2.671) 23.224 2.393 ( -0.878 4.853 -2.549) 5.551 2.542 ( -1.624 3.434 -12.348) 12.919 2.699 ( 2.501 -8.097 -1.157) 8.553 2.906 ( -6.693 -1.800 -7.490) 10.205 3.180 ( 1.281 4.379 -6.268) 7.753 3.426 ( 0.266 -4.746 7.055) 8.507 3.664 ( -0.677 6.485 11.705) 13.398 3.932 ( 1.562 3.129 2.493) 4.295 3.948 ( -5.088 4.887 4.303) 8.264 4.516 ( -3.849 6.154 8.128) 10.897 4.950 ( -5.822 -1.607 -3.596) 7.029 5.105 ( -6.633 3.356 -2.541) 7.856 5.454 ( -8.299 8.102 -3.374) 12.079 6.426 ( 6.656 -6.499 2.869) 9.734 6.569 ( -0.432 -2.002 0.691) 2.162 6.689 ( 10.465 0.323 2.251) 10.710 6.714 ( 0.598 -1.436 -2.772) 3.179 6.915 ( 4.344 -3.450 -0.702) 5.591 7.017 ( 0.576 -4.176 1.525) 4.483 7.244 ( -0.203 1.291 -1.828) 2.247 7.300 ( -2.625 -0.923 -4.793) 5.542 8.699 ( -3.525 3.205 0.316) 4.775 8.756 ( -3.324 2.123 -0.256) 3.952 8.931 ( -0.425 -6.267 0.668) 6.316 8.990 ( -1.187 -6.593 -0.788) 6.745 9.232 ( 7.702 4.781 0.828) 9.103 9.309 ( 5.658 4.916 -0.284) 7.501 10.140 ( 5.431 -7.313 -1.069) 9.172 10.175 ( 5.662 -6.090 -0.033) 8.316 10.732 ( 2.228 -0.809 -0.561) 2.436 10.776 ( 2.275 3.056 1.174) 3.987 11.303 ( 3.336 -3.370 1.609) 5.007 11.351 ( 3.200 -2.858 0.158) 4.293 11.506 ( -1.271 4.346 -0.170) 4.531 11.581 ( -0.976 0.489 0.817) 1.364 12.036 ( -5.031 -3.974 -3.667) 7.386 12.312 ( -1.793 5.951 -3.863) 7.318 12.513 ( -0.936 0.484 2.627) 2.831 12.739 ( -0.761 -5.028 1.858) 5.414 13.185 ( -6.973 -2.880 3.648) 8.379 13.385 ( -4.647 1.762 -1.214) 5.116 13.552 ( -3.554 -0.599 -6.261) 7.224 13.898 ( -5.916 16.970 6.436) 19.089 16.539 ( -1.861 1.006 -0.292) 2.136 16.590 ( -2.392 -0.262 -0.936) 2.582 17.235 ( 2.806 -1.490 5.179) 6.076 17.566 ( -2.170 8.066 0.602) 8.374 17.618 ( -1.888 6.915 0.603) 7.193 17.912 ( 2.791 -1.776 -14.929) 15.291 18.598 ( 16.257 -21.783 15.529) 31.304 19.595 ( 4.165 -4.709 -7.026) 9.428 ======================= Grid point 190 (36/68) ======================= q-point: (-0.18 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -6.543 11.332 2.520) 13.326 1.785 ( -7.806 13.520 -8.677) 17.861 2.154 ( -1.474 2.554 -0.081) 2.950 2.401 ( -2.609 4.519 1.995) 5.586 2.450 ( -0.199 0.344 -4.077) 4.096 2.774 ( 4.246 -7.354 -1.552) 8.632 2.795 ( 0.110 -0.191 -9.992) 9.995 3.278 ( -2.427 4.203 -1.040) 4.964 3.306 ( 2.822 -4.888 -3.895) 6.858 3.735 ( -3.790 6.564 15.802) 17.526 3.925 ( -3.787 6.559 0.310) 7.580 3.943 ( 3.262 -5.651 13.637) 15.117 4.535 ( -6.540 11.327 4.337) 13.780 4.850 ( -1.130 1.957 -1.423) 2.671 5.081 ( -0.131 0.227 -6.127) 6.132 5.419 ( -6.410 11.103 -2.729) 13.108 6.455 ( 4.580 -7.934 3.603) 9.844 6.552 ( 0.940 -1.627 0.427) 1.927 6.706 ( 0.305 -0.528 -5.132) 5.168 6.842 ( 0.589 -1.021 4.298) 4.457 6.934 ( 5.268 -9.124 1.743) 10.679 6.955 ( 2.120 -3.673 -1.160) 4.397 7.255 ( -1.789 3.099 -0.999) 3.715 7.266 ( 0.413 -0.716 -6.040) 6.097 8.688 ( -2.860 4.954 -0.003) 5.721 8.734 ( -0.890 1.542 0.281) 1.802 8.895 ( 2.651 -4.591 0.553) 5.330 8.935 ( 0.745 -1.290 -0.962) 1.773 9.340 ( -0.798 1.382 1.344) 2.086 9.384 ( -0.594 1.030 -0.337) 1.236 10.150 ( 5.732 -9.928 -1.741) 11.595 10.200 ( 4.856 -8.411 0.685) 9.736 10.750 ( 0.874 -1.514 -0.979) 2.004 10.820 ( -1.116 1.933 1.361) 2.614 11.318 ( 2.278 -3.946 1.318) 4.744 11.369 ( 2.163 -3.746 -0.283) 4.335 11.545 ( -3.357 5.814 -0.927) 6.777 11.547 ( 0.536 -0.928 1.149) 1.571 11.963 ( 0.510 -0.883 -0.543) 1.155 12.322 ( -2.092 3.624 -4.674) 6.274 12.546 ( -2.114 3.661 1.776) 4.585 12.654 ( 4.263 -7.385 1.807) 8.716 13.109 ( -0.696 1.205 3.450) 3.720 13.312 ( -1.091 1.889 -2.898) 3.628 13.551 ( -2.256 3.907 -7.624) 8.858 13.932 ( -10.002 17.324 8.846) 21.873 16.525 ( -0.945 1.636 -1.194) 2.235 16.566 ( -0.460 0.797 0.307) 0.971 17.251 ( 1.388 -2.404 4.545) 5.326 17.610 ( -4.659 8.069 -0.200) 9.320 17.633 ( -4.142 7.174 1.737) 8.464 17.919 ( -0.597 1.033 -12.324) 12.381 18.638 ( 16.998 -29.441 11.756) 35.971 19.605 ( 3.858 -6.682 -5.684) 9.583 ======================= Grid point 201 (37/68) ======================= q-point: (-0.36 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -4.945 13.479 8.473) 16.671 1.578 ( 18.532 11.303 14.277) 25.981 2.131 ( 14.979 -5.786 5.236) 16.890 2.502 ( 0.504 8.543 0.250) 8.562 2.722 ( -9.046 -2.429 -5.558) 10.892 2.768 ( -9.903 0.184 -8.218) 12.870 2.964 ( -2.615 -5.716 -9.052) 11.021 3.240 ( -5.809 0.170 -4.823) 7.552 3.328 ( 4.431 0.992 10.234) 11.196 3.739 ( -3.672 -2.122 3.919) 5.774 3.926 ( 0.402 1.529 -1.942) 2.505 4.072 ( -3.705 2.117 -4.803) 6.425 4.594 ( 0.471 3.142 8.114) 8.714 5.003 ( -3.836 -2.008 -3.839) 5.786 5.342 ( -10.582 4.205 3.328) 11.863 5.618 ( -4.352 0.268 -2.913) 5.244 6.283 ( 3.298 -2.455 1.271) 4.303 6.481 ( 10.597 1.402 2.776) 11.044 6.571 ( -1.382 -1.269 -0.565) 1.959 6.729 ( -0.432 1.159 -2.533) 2.819 6.819 ( 3.123 -1.277 -0.749) 3.456 6.988 ( -0.450 -1.794 1.032) 2.118 7.237 ( 0.525 -0.521 -1.262) 1.463 7.344 ( -2.080 -0.131 -2.400) 3.179 8.706 ( -0.632 -5.445 -0.108) 5.483 8.753 ( -0.468 -7.328 0.167) 7.345 8.940 ( -0.321 3.316 0.740) 3.413 8.983 ( 1.797 3.007 -0.918) 3.621 9.165 ( 4.481 6.527 0.664) 7.945 9.252 ( 5.499 4.682 -0.077) 7.223 10.027 ( 0.306 -4.922 -0.265) 4.938 10.055 ( 1.610 -4.780 0.062) 5.044 10.689 ( 1.701 -0.293 -0.522) 1.803 10.775 ( 2.844 5.593 1.411) 6.431 11.218 ( 2.134 -2.639 1.781) 3.833 11.277 ( 1.812 -2.426 0.788) 3.129 11.559 ( -0.051 3.578 0.418) 3.602 11.594 ( 0.045 0.346 0.388) 0.522 12.097 ( -5.309 -3.396 -6.990) 9.412 12.403 ( -2.458 2.347 -7.133) 7.901 12.510 ( -1.057 -2.868 4.158) 5.161 12.720 ( -0.842 -1.881 6.096) 6.435 13.284 ( -8.452 -4.777 2.380) 9.996 13.439 ( -2.674 -4.489 0.573) 5.256 13.581 ( -0.742 -0.262 -5.608) 5.663 14.126 ( 0.099 16.178 5.547) 17.103 16.580 ( -1.306 0.940 0.632) 1.729 16.619 ( -2.463 -2.271 -2.456) 4.154 17.192 ( 0.533 0.353 3.299) 3.360 17.579 ( 15.614 -12.494 -9.487) 22.134 17.675 ( -0.033 5.319 -3.043) 6.128 17.708 ( 1.190 8.144 0.803) 8.270 18.411 ( -3.436 -4.582 15.842) 16.846 19.493 ( 1.776 -4.277 -7.743) 9.022 ======================= Grid point 202 (38/68) ======================= q-point: (-0.27 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 6.110 18.485 2.368) 19.612 1.960 ( 4.266 3.354 0.868) 5.496 2.194 ( -1.213 1.779 6.607) 6.949 2.542 ( -5.567 -1.517 0.436) 5.787 2.578 ( -4.356 7.822 -1.590) 9.093 2.665 ( -1.791 7.132 -8.713) 11.402 2.842 ( -5.609 -2.797 -12.780) 14.234 3.177 ( 2.361 -4.947 0.632) 5.518 3.363 ( -2.412 -0.337 4.811) 5.393 3.713 ( 4.650 -1.066 10.574) 11.600 3.908 ( -2.660 -3.529 5.555) 7.099 4.013 ( -1.688 -0.338 -1.979) 2.623 4.684 ( 1.724 8.545 -0.632) 8.740 4.895 ( -4.651 -3.133 -3.320) 6.517 5.200 ( -8.394 5.295 3.291) 10.456 5.576 ( -2.138 2.203 -2.284) 3.827 6.318 ( 3.279 -3.155 1.636) 4.835 6.535 ( 0.004 -1.273 -1.757) 2.169 6.682 ( 5.456 -0.009 3.202) 6.326 6.735 ( 3.729 1.943 -3.465) 5.448 6.864 ( 2.370 -1.375 -2.162) 3.490 6.906 ( -4.367 -5.264 2.617) 7.323 7.246 ( 0.721 -0.434 -3.038) 3.153 7.312 ( -1.737 1.286 -0.654) 2.258 8.668 ( 2.189 -4.522 -0.039) 5.024 8.688 ( 1.017 -6.098 -0.043) 6.183 8.932 ( -3.921 5.248 1.250) 6.669 9.008 ( -2.708 5.251 -1.033) 5.998 9.333 ( 4.572 4.835 0.866) 6.710 9.390 ( 2.616 3.147 0.229) 4.099 9.971 ( 2.730 -8.795 -1.022) 9.266 10.038 ( 3.504 -7.511 0.573) 8.308 10.721 ( 1.424 -0.036 -1.042) 1.764 10.868 ( -0.076 5.492 1.820) 5.786 11.235 ( 2.743 -2.977 1.213) 4.226 11.290 ( 2.456 -3.129 -0.064) 3.978 11.523 ( -0.555 -2.781 -1.107) 3.044 11.662 ( -1.100 7.544 0.544) 7.643 11.986 ( -3.588 -0.691 -1.130) 3.824 12.363 ( 0.355 -2.515 -9.930) 10.250 12.510 ( 1.366 -1.309 6.438) 6.710 12.633 ( -3.994 -2.549 3.994) 6.197 13.143 ( -3.112 -1.127 2.602) 4.211 13.323 ( -1.542 -4.716 -2.274) 5.458 13.616 ( -0.489 3.967 -5.533) 6.825 14.240 ( -5.355 14.744 7.049) 17.197 16.563 ( -1.314 0.998 -0.097) 1.653 16.568 ( -0.588 -1.644 -0.602) 1.846 17.203 ( 1.201 -1.412 3.588) 4.038 17.693 ( 13.443 -17.687 -15.536) 27.110 17.750 ( -0.926 8.805 -0.458) 8.866 17.800 ( -2.916 10.208 1.315) 10.698 18.309 ( -0.437 -6.157 15.871) 17.029 19.470 ( 2.938 -7.020 -6.057) 9.726 ======================= Grid point 211 (39/68) ======================= q-point: (-0.45 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 10.229 17.717 19.102) 27.990 1.767 ( 5.392 9.340 3.706) 11.404 1.790 ( 1.450 2.511 9.379) 9.816 2.570 ( 4.814 8.338 5.916) 11.300 2.761 ( -1.676 -2.903 -7.139) 7.887 2.865 ( -3.793 -6.570 -8.000) 11.025 2.936 ( -0.681 -1.179 -2.334) 2.702 3.303 ( 0.517 0.896 7.117) 7.192 3.328 ( -3.151 -5.458 -7.014) 9.429 3.726 ( -1.584 -2.743 0.163) 3.172 3.965 ( -1.133 -1.963 -6.638) 7.014 4.115 ( -0.266 -0.460 -4.428) 4.460 4.594 ( 1.153 1.997 9.081) 9.369 5.037 ( -1.555 -2.694 -2.787) 4.176 5.471 ( -0.402 -0.696 3.772) 3.857 5.640 ( -3.369 -5.836 -3.542) 7.613 6.250 ( 0.154 0.267 0.609) 0.683 6.385 ( 3.363 5.825 2.565) 7.199 6.581 ( -0.211 -0.366 -0.437) 0.607 6.735 ( 1.230 2.131 -3.194) 4.032 6.787 ( -0.253 -0.438 0.048) 0.508 6.985 ( -0.309 -0.535 1.158) 1.313 7.229 ( -0.125 -0.217 -0.438) 0.505 7.362 ( -0.562 -0.974 -1.892) 2.201 8.683 ( -2.686 -4.652 -0.741) 5.422 8.701 ( -3.540 -6.132 0.765) 7.121 8.959 ( 2.920 5.057 0.573) 5.868 8.969 ( 4.028 6.977 -0.816) 8.098 9.191 ( 2.799 4.848 0.540) 5.624 9.215 ( 2.210 3.828 0.145) 4.422 10.009 ( -1.330 -2.303 1.093) 2.875 10.011 ( -2.802 -4.854 -0.787) 5.659 10.671 ( 0.249 0.432 -0.549) 0.741 10.781 ( 3.853 6.674 1.577) 7.866 11.184 ( -0.614 -1.064 1.723) 2.116 11.246 ( -0.776 -1.344 1.093) 1.898 11.581 ( 3.320 5.750 2.172) 6.986 11.592 ( -1.561 -2.703 -1.242) 3.359 12.132 ( -2.343 -4.059 -9.464) 10.561 12.430 ( -3.220 -5.578 -4.666) 7.953 12.512 ( 0.478 0.828 1.709) 1.958 12.719 ( -0.316 -0.548 7.960) 7.985 13.365 ( -4.125 -7.145 -0.920) 8.301 13.408 ( -4.599 -7.965 4.097) 10.069 13.586 ( 0.808 1.400 -5.339) 5.578 14.212 ( 7.317 12.673 4.737) 15.382 16.597 ( 0.091 0.157 1.201) 1.215 16.632 ( -1.910 -3.309 -3.529) 5.201 17.245 ( 0.055 0.095 -0.343) 0.360 17.284 ( -1.511 -2.618 -3.275) 4.457 17.712 ( 2.442 4.229 -2.335) 5.413 17.741 ( 4.515 7.821 1.264) 9.119 18.432 ( -2.587 -4.481 12.513) 13.540 19.453 ( -1.662 -2.878 -7.646) 8.337 ======================= Grid point 213 (40/68) ======================= q-point: (-0.36 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 4.164 13.261 2.082) 14.055 1.916 ( 7.090 17.129 10.328) 21.221 2.081 ( 12.946 2.233 6.653) 14.726 2.579 ( -8.065 -8.869 -11.833) 16.844 2.742 ( 0.757 8.894 6.668) 11.142 2.803 ( -1.020 3.319 -6.822) 7.655 2.923 ( -2.585 4.702 -5.252) 7.508 3.167 ( -6.028 -6.057 -1.002) 8.604 3.347 ( 2.984 0.608 8.665) 9.185 3.649 ( -1.448 -5.553 4.662) 7.393 3.911 ( -1.642 -3.102 -8.303) 9.014 4.010 ( -4.413 -8.574 1.916) 9.831 4.700 ( 4.650 7.489 0.547) 8.832 4.960 ( -4.139 -1.475 -0.787) 4.464 5.385 ( -8.472 -0.213 2.351) 8.795 5.540 ( 1.662 -7.527 -1.964) 7.955 6.280 ( 1.290 2.257 -0.446) 2.637 6.476 ( 3.259 -1.214 -4.402) 5.610 6.636 ( 2.568 5.529 8.336) 10.327 6.744 ( -1.547 0.518 -5.188) 5.438 6.797 ( 2.455 -1.805 -4.259) 5.237 6.952 ( -2.638 -0.859 4.371) 5.177 7.236 ( 0.479 0.448 -1.405) 1.551 7.340 ( -0.823 -0.244 -0.136) 0.869 8.608 ( -0.581 -3.708 0.324) 3.767 8.622 ( -0.057 -3.957 -0.263) 3.966 9.032 ( -0.410 4.510 0.505) 4.557 9.077 ( 0.864 4.532 -0.391) 4.630 9.315 ( 3.898 7.805 0.679) 8.750 9.353 ( 6.067 5.636 0.377) 8.290 9.884 ( -2.881 -8.510 -0.414) 8.994 9.937 ( -1.034 -7.055 0.653) 7.160 10.701 ( 1.518 1.479 -0.755) 2.250 10.930 ( 2.176 8.589 2.091) 9.104 11.169 ( 1.229 -2.093 0.977) 2.616 11.226 ( 0.849 -2.484 0.052) 2.626 11.511 ( -2.202 -4.399 -2.406) 5.476 11.728 ( 3.463 9.127 2.142) 9.994 12.054 ( -3.926 -1.033 -5.156) 6.563 12.279 ( -0.896 -9.138 -1.177) 9.256 12.541 ( -1.754 1.431 -1.057) 2.498 12.656 ( -2.605 -4.258 6.212) 7.969 13.199 ( -5.560 -3.067 1.107) 6.445 13.273 ( -0.565 -7.724 -0.897) 7.797 13.650 ( 1.186 3.723 -4.233) 5.761 14.414 ( 1.199 10.984 4.735) 12.021 16.564 ( -1.668 -2.515 -1.620) 3.425 16.584 ( -0.770 -0.913 1.180) 1.679 17.195 ( -1.760 0.008 0.836) 1.948 17.321 ( 8.313 -9.982 -5.180) 13.985 17.828 ( 2.442 8.199 -1.643) 8.712 17.917 ( 2.802 10.948 1.305) 11.376 18.318 ( -4.143 -4.953 9.101) 11.159 19.374 ( -0.741 -6.736 -5.560) 8.766 ======================= Grid point 214 (41/68) ======================= q-point: (-0.27 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -1.833 3.174 -7.245) 8.119 1.996 ( -5.491 9.510 4.058) 11.707 2.242 ( -0.081 0.141 10.326) 10.327 2.440 ( 3.622 -6.273 -5.581) 9.144 2.768 ( -3.835 6.643 4.846) 9.073 2.864 ( -6.055 10.487 -2.079) 12.287 2.893 ( -3.411 5.908 -11.514) 13.383 3.082 ( 0.030 -0.052 1.501) 1.502 3.372 ( -0.197 0.342 5.771) 5.785 3.631 ( 3.488 -6.042 8.838) 11.260 3.817 ( 2.768 -4.795 6.705) 8.696 3.932 ( 3.769 -6.528 -9.907) 12.449 4.857 ( -0.945 1.637 -3.170) 3.691 4.862 ( -3.755 6.503 -0.431) 7.522 5.276 ( -1.149 1.991 3.417) 4.118 5.522 ( 3.906 -6.765 -1.558) 7.965 6.311 ( -1.189 2.059 -0.960) 2.564 6.495 ( 1.640 -2.840 -4.360) 5.455 6.685 ( 0.028 -0.049 1.277) 1.278 6.780 ( 2.301 -3.986 -3.139) 5.571 6.788 ( -1.638 2.836 -0.273) 3.286 6.903 ( -1.319 2.285 4.724) 5.411 7.244 ( -0.128 0.222 -1.794) 1.812 7.332 ( -0.306 0.530 0.759) 0.975 8.586 ( 1.708 -2.958 0.576) 3.464 8.601 ( 1.163 -2.015 -0.487) 2.377 9.049 ( -2.858 4.950 0.887) 5.784 9.106 ( -1.921 3.327 -0.494) 3.874 9.421 ( -2.043 3.539 1.241) 4.271 9.459 ( -2.202 3.814 0.077) 4.404 9.792 ( 4.518 -7.825 -0.005) 9.035 9.871 ( 4.605 -7.977 -0.020) 9.211 10.729 ( -0.345 0.597 -0.625) 0.930 10.990 ( -3.464 6.000 1.702) 7.134 11.183 ( 1.202 -2.083 0.738) 2.515 11.221 ( 1.939 -3.358 -0.145) 3.881 11.462 ( 1.428 -2.473 -3.377) 4.423 11.825 ( -4.196 7.268 1.291) 8.491 12.003 ( -1.163 2.014 0.823) 2.466 12.221 ( 4.770 -8.263 -4.123) 10.394 12.507 ( -0.607 1.051 3.091) 3.321 12.607 ( 0.987 -1.709 1.314) 2.371 13.136 ( -0.251 0.434 1.358) 1.448 13.228 ( 2.383 -4.128 -1.805) 5.096 13.682 ( -1.290 2.234 -3.643) 4.464 14.481 ( -4.726 8.186 4.355) 10.408 16.534 ( 0.642 -1.112 0.036) 1.285 16.569 ( 0.384 -0.665 0.459) 0.895 17.182 ( 0.307 -0.532 1.627) 1.739 17.346 ( 7.453 -12.909 -6.470) 16.250 17.912 ( -3.753 6.501 -0.678) 7.537 18.011 ( -5.069 8.780 1.249) 10.214 18.233 ( 1.501 -2.601 7.105) 7.713 19.325 ( 3.634 -6.294 -4.530) 8.564 ======================= Grid point 225 (42/68) ======================= q-point: (-0.36 0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 5.812 10.066 -6.798) 13.465 2.136 ( 1.613 2.794 3.633) 4.859 2.218 ( 3.906 6.765 9.183) 12.056 2.352 ( -5.531 -9.580 -9.372) 14.498 2.868 ( 2.648 4.587 4.814) 7.157 2.883 ( 2.152 3.727 -2.140) 4.806 3.016 ( -4.137 -7.165 1.418) 8.394 3.171 ( 7.815 13.536 -0.470) 15.637 3.370 ( 0.682 1.181 6.941) 7.073 3.534 ( -2.645 -4.581 6.181) 8.136 3.764 ( -6.623 -11.472 7.382) 15.164 3.827 ( -2.294 -3.973 -16.349) 16.980 4.877 ( 4.407 7.633 -3.600) 9.520 4.952 ( 0.164 0.283 4.725) 4.737 5.342 ( -3.175 -5.499 -1.696) 6.572 5.371 ( -2.198 -3.808 0.054) 4.397 6.355 ( 2.267 3.926 -2.383) 5.122 6.446 ( -1.114 -1.930 -4.655) 5.161 6.686 ( 0.125 0.217 0.477) 0.539 6.726 ( -1.378 -2.386 -4.231) 5.049 6.833 ( 2.952 5.114 2.085) 6.262 6.932 ( -1.161 -2.011 5.221) 5.714 7.248 ( 0.271 0.470 -1.301) 1.410 7.337 ( -0.038 -0.065 1.129) 1.132 8.556 ( -0.633 -1.096 0.866) 1.534 8.584 ( -0.339 -0.587 -0.652) 0.940 9.108 ( 1.434 2.484 0.379) 2.894 9.136 ( 0.524 0.908 0.074) 1.051 9.472 ( 4.211 7.294 1.314) 8.525 9.512 ( 5.026 8.705 -0.145) 10.053 9.697 ( -4.954 -8.580 0.440) 9.917 9.765 ( -5.093 -8.821 -0.181) 10.188 10.737 ( 0.779 1.349 -0.218) 1.572 11.087 ( 2.816 4.877 1.793) 5.910 11.137 ( -0.097 -0.168 0.203) 0.280 11.180 ( -1.194 -2.068 -0.237) 2.400 11.435 ( -1.268 -2.196 -4.158) 4.870 11.916 ( 4.248 7.357 2.531) 8.864 12.035 ( -0.379 -0.656 -1.408) 1.599 12.114 ( -3.340 -5.785 0.856) 6.734 12.537 ( -0.751 -1.300 -0.928) 1.765 12.564 ( -1.818 -3.149 2.064) 4.181 13.156 ( -0.945 -1.637 0.418) 1.936 13.168 ( -1.039 -1.800 -0.978) 2.297 13.705 ( 0.827 1.433 -2.819) 3.269 14.567 ( 2.159 3.739 2.707) 5.096 16.529 ( -0.385 -0.666 -0.178) 0.789 16.550 ( -0.970 -1.681 1.574) 2.499 17.192 ( -0.839 -1.453 -0.238) 1.695 17.196 ( -0.708 -1.226 -2.619) 2.977 17.991 ( 3.865 6.695 0.591) 7.753 18.106 ( 3.397 5.884 0.695) 6.829 18.203 ( -3.238 -5.608 3.463) 7.343 19.251 ( -2.275 -3.941 -3.697) 5.863 ======================= Grid point 266 (43/68) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.000 0.000 31.412) 31.412 1.359 ( -0.000 0.000 31.412) 31.412 1.915 ( 0.000 -0.000 -25.110) 25.110 1.915 ( 0.000 -0.000 -25.110) 25.110 2.014 ( 0.000 0.000 44.338) 44.338 2.743 ( -0.000 -0.000 -29.387) 29.387 3.090 ( 0.000 0.000 9.593) 9.593 3.090 ( 0.000 0.000 9.593) 9.593 3.285 ( 0.000 0.000 -10.142) 10.142 3.285 ( 0.000 -0.000 -10.142) 10.142 3.884 ( -0.000 0.000 16.837) 16.837 4.302 ( 0.000 0.000 -25.506) 25.506 4.457 ( 0.000 -0.000 4.891) 4.891 4.457 ( 0.000 0.000 4.891) 4.891 4.530 ( 0.000 -0.000 -2.524) 2.524 4.530 ( 0.000 0.000 -2.524) 2.524 6.890 ( 0.000 0.000 0.051) 0.051 6.890 ( 0.000 -0.000 0.051) 0.051 6.895 ( 0.000 0.000 -0.413) 0.413 6.895 ( 0.000 0.000 -0.413) 0.413 7.000 ( 0.000 0.000 5.694) 5.694 7.114 ( -0.000 -0.000 -5.536) 5.536 7.637 ( -0.000 0.000 18.720) 18.720 7.938 ( 0.000 0.000 -11.810) 11.810 8.587 ( -0.000 -0.000 8.611) 8.611 8.784 ( 0.000 0.000 -10.832) 10.832 9.139 ( 0.000 0.000 2.917) 2.917 9.139 ( -0.000 -0.000 2.917) 2.917 9.196 ( 0.000 0.000 -2.758) 2.758 9.196 ( 0.000 -0.000 -2.758) 2.758 10.819 ( 0.000 0.000 0.062) 0.062 10.819 ( 0.000 0.000 0.062) 0.062 10.820 ( 0.000 0.000 -0.070) 0.070 10.820 ( 0.000 -0.000 -0.070) 0.070 11.049 ( -0.000 0.000 4.900) 4.900 11.141 ( 0.000 0.000 -4.231) 4.231 11.947 ( 0.000 0.000 0.613) 0.613 11.959 ( -0.000 -0.000 -0.593) 0.593 12.105 ( 0.000 -0.000 4.117) 4.117 12.105 ( -0.000 0.000 4.117) 4.117 12.190 ( 0.000 -0.000 -4.239) 4.239 12.190 ( -0.000 0.000 -4.239) 4.239 12.784 ( 0.000 -0.000 0.238) 0.238 12.784 ( -0.000 0.000 0.238) 0.238 12.788 ( 0.000 0.000 -0.213) 0.213 12.788 ( 0.000 -0.000 -0.213) 0.213 16.441 ( -0.000 -0.000 1.553) 1.553 16.472 ( 0.000 0.000 -1.561) 1.561 17.146 ( 0.000 0.000 3.407) 3.407 17.146 ( -0.000 -0.000 3.407) 3.407 17.214 ( 0.000 0.000 -3.308) 3.308 17.214 ( 0.000 -0.000 -3.308) 3.308 20.817 ( -0.000 0.000 0.784) 0.784 20.833 ( 0.000 0.000 -0.776) 0.776 ======================= Grid point 267 (44/68) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 1.329 2.359 26.291) 26.430 1.602 ( -3.149 19.022 33.340) 38.514 1.707 ( -4.063 -3.452 -25.151) 25.710 2.188 ( 11.652 -2.236 -25.399) 28.034 2.280 ( 25.576 -0.678 30.765) 40.014 2.775 ( -0.065 8.670 -17.696) 19.706 2.948 ( -10.551 -0.702 8.935) 13.844 3.074 ( -1.819 -5.133 3.315) 6.376 3.173 ( -3.071 -8.437 -7.423) 11.649 3.280 ( -0.284 0.422 -10.675) 10.687 3.840 ( -3.097 3.807 21.064) 21.628 4.291 ( 1.755 -2.021 -23.659) 23.810 4.454 ( -0.384 4.840 6.987) 8.508 4.561 ( 6.910 -0.479 1.516) 7.091 4.617 ( 9.738 -0.550 1.681) 9.898 4.752 ( 9.317 10.560 -8.175) 16.283 6.821 ( -3.669 -3.102 0.421) 4.823 6.843 ( -4.352 -1.546 -1.634) 4.899 6.890 ( -2.090 -0.094 0.988) 2.313 6.904 ( -1.177 -0.802 -0.300) 1.456 7.003 ( 1.977 -1.180 4.527) 5.079 7.103 ( -0.195 1.116 -5.161) 5.284 7.533 ( -8.145 -4.414 14.638) 17.324 7.754 ( -15.033 -7.793 -6.834) 18.260 8.502 ( -3.969 -1.114 2.608) 4.878 8.530 ( -6.645 -5.355 0.431) 8.545 9.147 ( -0.084 0.498 2.487) 2.538 9.186 ( 2.165 -2.840 -1.378) 3.828 9.242 ( 1.449 1.937 0.306) 2.438 9.266 ( 1.591 4.064 -1.821) 4.729 10.727 ( -6.785 -4.179 -0.278) 7.973 10.732 ( -6.841 -3.619 -1.026) 7.807 10.816 ( -0.494 -0.271 0.162) 0.587 10.819 ( -0.264 -0.411 -0.155) 0.513 11.228 ( 9.861 3.455 -0.550) 10.463 11.238 ( 5.415 4.815 -1.187) 7.342 11.735 ( -8.235 -6.112 2.281) 10.506 11.751 ( -9.979 -4.463 0.311) 10.935 12.116 ( -0.538 -4.291 -1.179) 4.483 12.132 ( -2.726 0.668 -2.203) 3.568 12.355 ( 7.976 7.642 4.823) 12.053 12.480 ( 14.074 3.671 -8.416) 16.804 12.878 ( 9.398 1.824 0.692) 9.598 12.896 ( 6.998 7.535 -0.944) 10.326 12.931 ( 10.378 7.261 0.982) 12.704 12.961 ( 14.208 12.050 -2.884) 18.852 16.450 ( 1.120 0.195 1.139) 1.609 16.475 ( 0.107 0.802 -1.338) 1.564 17.183 ( 5.162 -0.534 2.754) 5.875 17.238 ( 1.319 4.592 -2.141) 5.236 17.288 ( 8.149 6.724 0.943) 10.607 17.333 ( 9.832 2.161 -2.646) 10.408 20.498 ( -23.310 -14.595 4.617) 27.887 20.542 ( -21.845 -11.826 -0.707) 24.851 ======================= Grid point 268 (45/68) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 14.367 19.134 5.679) 24.592 1.686 ( -7.224 17.118 25.042) 31.182 1.702 ( 4.029 0.395 -10.788) 11.522 2.228 ( 3.791 -13.382 -22.967) 26.851 2.586 ( 6.089 -7.147 12.836) 15.904 2.810 ( -5.688 5.048 -5.127) 9.171 2.875 ( 0.731 0.530 1.118) 1.438 2.968 ( -1.845 -2.387 -4.080) 5.075 3.182 ( 11.548 0.625 4.659) 12.468 3.337 ( 6.212 2.952 -10.864) 12.858 3.886 ( 3.117 3.806 23.338) 23.851 4.307 ( -2.063 -1.479 -14.660) 14.879 4.504 ( 2.591 4.018 10.830) 11.838 4.704 ( 7.073 1.854 -5.799) 9.333 4.783 ( 9.244 1.369 5.638) 10.914 4.973 ( 5.596 6.655 -10.923) 13.961 6.706 ( -5.353 -1.888 0.666) 5.715 6.731 ( -3.658 -2.757 -1.421) 4.796 6.814 ( -5.637 -0.914 2.211) 6.124 6.848 ( -2.361 -3.845 -1.355) 4.711 7.037 ( 2.784 -2.237 4.645) 5.859 7.143 ( 0.951 3.194 -5.292) 6.253 7.319 ( -9.387 -3.498 5.364) 11.363 7.389 ( -13.688 -7.473 -1.633) 15.680 8.505 ( 3.077 2.762 0.692) 4.192 8.518 ( 4.457 1.541 -0.598) 4.753 9.139 ( -1.798 1.020 2.289) 3.084 9.183 ( 1.083 -3.689 -2.060) 4.362 9.246 ( -1.518 -0.935 1.779) 2.518 9.279 ( -2.598 0.838 -1.476) 3.103 10.514 ( -10.045 -6.719 -0.194) 12.087 10.520 ( -10.984 -4.943 -1.005) 12.087 10.793 ( -1.342 -1.055 0.400) 1.753 10.799 ( -1.332 -0.687 -0.206) 1.513 11.364 ( 3.188 3.718 0.296) 4.906 11.377 ( 4.389 0.768 -1.068) 4.582 11.554 ( -6.273 -3.176 1.934) 7.292 11.580 ( -4.495 -3.388 -0.363) 5.641 12.073 ( -0.641 -1.085 -0.268) 1.288 12.098 ( -0.277 -0.923 -2.418) 2.603 12.518 ( 3.329 5.599 6.160) 8.965 12.644 ( 6.463 -2.071 -6.611) 9.474 13.075 ( 9.623 1.990 1.584) 9.953 13.098 ( 7.029 6.508 -0.565) 9.597 13.269 ( 18.111 2.962 4.520) 18.900 13.393 ( 9.300 20.025 -8.256) 23.572 16.486 ( 2.231 0.526 0.531) 2.353 16.501 ( 1.143 2.119 -0.934) 2.583 17.299 ( 5.543 3.118 2.001) 6.667 17.330 ( 4.310 2.931 -0.564) 5.243 17.484 ( 5.726 2.903 2.700) 6.965 17.554 ( 9.766 3.187 -3.850) 10.970 19.904 ( -30.294 -14.785 1.118) 33.728 19.909 ( -21.251 -15.314 0.993) 26.213 ======================= Grid point 269 (46/68) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -7.732 9.596 23.247) 26.312 1.809 ( 5.178 -2.384 1.619) 5.925 1.986 ( 15.839 22.282 -10.848) 29.412 2.142 ( 2.772 -7.829 -17.174) 19.077 2.582 ( -2.527 5.564 7.768) 9.884 2.712 ( 0.303 -8.788 -4.190) 9.740 2.891 ( 3.617 -4.707 -3.556) 6.920 2.905 ( -5.263 3.739 -3.896) 7.540 3.464 ( 13.783 1.716 1.649) 13.987 3.536 ( 8.287 6.247 -5.863) 11.920 3.943 ( -0.677 -4.670 18.432) 19.026 4.147 ( -7.773 -5.788 1.529) 9.811 4.636 ( 5.420 3.897 7.833) 10.292 4.821 ( 3.746 3.536 -9.055) 10.418 5.025 ( 10.350 10.054 3.896) 14.946 5.160 ( 11.107 4.124 -8.461) 14.558 6.622 ( -5.780 -2.481 2.775) 6.875 6.641 ( -2.813 -1.254 2.268) 3.825 6.690 ( -4.090 -4.709 0.026) 6.238 6.737 ( -5.509 -1.793 -3.302) 6.668 7.011 ( -3.134 -2.678 3.073) 5.142 7.079 ( -8.143 -5.076 -1.866) 9.775 7.193 ( 1.570 -0.477 0.540) 1.727 7.246 ( -1.224 2.675 -3.980) 4.949 8.633 ( 6.071 4.133 0.966) 7.408 8.654 ( 6.712 3.218 -1.133) 7.529 9.107 ( -2.799 1.065 2.049) 3.629 9.146 ( -2.940 -1.608 -1.553) 3.693 9.171 ( -0.323 -8.723 0.914) 8.777 9.195 ( -7.661 1.036 -1.195) 7.822 10.266 ( -8.938 -5.916 0.257) 10.721 10.280 ( -9.421 -4.146 -1.096) 10.351 10.751 ( -1.267 -2.206 0.693) 2.637 10.762 ( -2.214 -0.068 -0.407) 2.252 11.392 ( -2.317 -1.053 0.920) 2.707 11.402 ( -1.774 -1.070 -0.257) 2.088 11.481 ( -0.301 2.732 2.364) 3.626 11.530 ( 1.697 -2.090 -2.089) 3.408 12.073 ( 0.691 0.729 0.026) 1.005 12.108 ( 1.978 -0.278 -3.163) 3.741 12.614 ( 2.178 3.961 5.643) 7.231 12.712 ( 3.276 -1.047 -4.270) 5.483 13.247 ( 8.213 -0.304 1.557) 8.365 13.268 ( 3.832 7.171 -0.441) 8.142 13.580 ( 15.607 -2.090 4.150) 16.283 13.668 ( 1.785 15.274 -4.364) 15.985 16.533 ( 1.772 1.467 0.833) 2.446 16.554 ( 2.239 1.679 -1.253) 3.066 17.392 ( -0.083 1.455 6.088) 6.260 17.453 ( 6.170 2.139 -0.295) 6.537 17.539 ( 1.654 -1.218 3.302) 3.889 17.677 ( 0.628 -0.499 -9.382) 9.416 19.271 ( -23.634 -8.849 11.201) 27.611 19.487 ( -10.725 -10.408 -10.475) 18.251 ======================= Grid point 270 (47/68) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -2.114 2.203 14.998) 15.306 1.742 ( -5.843 -4.115 7.313) 10.225 2.253 ( 13.019 -2.169 -2.642) 13.461 2.317 ( -1.132 3.680 -3.836) 5.434 2.644 ( 3.654 12.224 -4.186) 13.427 2.692 ( -1.285 4.949 -4.390) 6.739 2.885 ( 0.045 4.174 -1.635) 4.483 2.973 ( 9.798 -4.763 -7.770) 13.381 3.606 ( -4.856 -0.361 8.920) 10.162 3.704 ( 8.067 -4.387 -2.347) 9.478 3.820 ( 2.084 -2.862 6.701) 7.579 3.984 ( -6.516 -0.694 -5.345) 8.456 4.747 ( 4.156 0.675 9.536) 10.424 4.915 ( 1.939 3.704 -7.215) 8.339 5.321 ( 10.868 8.497 5.462) 14.838 5.442 ( 11.962 5.630 -6.266) 14.631 6.429 ( -8.747 -3.278 4.113) 10.206 6.495 ( -7.094 -9.081 -1.554) 11.628 6.623 ( -0.983 0.512 1.840) 2.148 6.684 ( -2.126 1.036 -3.378) 4.124 6.913 ( -4.904 1.085 2.780) 5.740 6.964 ( -0.146 -4.843 -2.065) 5.267 7.232 ( 1.862 0.727 0.640) 2.099 7.276 ( 0.856 2.090 -3.602) 4.251 8.764 ( 3.366 2.913 0.930) 4.547 8.783 ( 4.045 1.376 -0.950) 4.377 8.992 ( -7.562 -4.621 1.064) 8.925 9.016 ( -7.065 -4.925 -1.245) 8.701 9.104 ( -1.414 2.904 1.807) 3.701 9.139 ( 1.621 -2.087 -1.624) 3.102 10.103 ( -3.808 -3.328 0.768) 5.115 10.122 ( -4.883 -1.355 -1.145) 5.195 10.711 ( -0.566 -1.962 0.903) 2.233 10.725 ( -1.908 0.341 -0.519) 2.007 11.320 ( -2.835 -2.162 2.383) 4.288 11.346 ( -3.127 0.021 -0.086) 3.128 11.520 ( 1.026 1.520 1.373) 2.291 11.552 ( 2.103 -1.164 -1.789) 2.996 12.104 ( -0.036 3.591 -0.569) 3.636 12.150 ( 3.675 -2.114 -4.740) 6.359 12.682 ( 1.271 3.247 4.676) 5.833 12.745 ( 1.490 -0.719 -1.668) 2.349 13.359 ( 6.020 -2.647 1.311) 6.706 13.383 ( 0.961 6.992 -0.983) 7.126 13.774 ( -0.124 11.260 2.598) 11.556 13.812 ( 10.108 -5.214 -0.765) 11.400 16.571 ( 1.294 0.115 1.148) 1.734 16.603 ( 0.867 1.834 -1.953) 2.816 17.314 ( -4.106 -4.515 8.636) 10.575 17.516 ( -6.382 -3.846 -11.241) 13.486 17.585 ( 3.386 1.362 1.041) 3.795 17.608 ( 0.190 1.021 -1.986) 2.241 18.934 ( -9.416 -0.120 19.333) 21.504 19.285 ( -3.216 -6.362 -16.069) 17.579 ======================= Grid point 271 (48/68) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -1.702 -4.343 12.905) 13.722 1.677 ( 0.842 0.148 2.661) 2.795 2.221 ( -6.048 1.989 17.151) 18.295 2.486 ( 12.102 0.062 -0.563) 12.116 2.643 ( -2.323 -4.300 -4.501) 6.644 2.830 ( -2.631 10.459 -12.355) 16.400 2.965 ( -0.008 5.853 2.780) 6.480 3.094 ( 6.976 -2.999 -11.086) 13.438 3.459 ( -2.310 -4.330 12.202) 13.152 3.677 ( -3.259 -2.541 -8.221) 9.201 3.913 ( 3.281 2.627 0.252) 4.211 3.960 ( 1.570 -0.269 -4.332) 4.615 4.800 ( 1.404 0.046 9.975) 10.074 4.965 ( 0.670 1.556 -6.803) 7.011 5.523 ( 5.149 0.725 5.248) 7.388 5.626 ( 2.377 3.954 -4.939) 6.758 6.301 ( -3.056 -0.020 2.208) 3.770 6.328 ( -1.375 -6.179 -0.008) 6.330 6.610 ( -1.361 1.348 1.044) 2.182 6.660 ( -1.112 0.362 -3.352) 3.550 6.873 ( -2.189 2.506 3.670) 4.954 6.934 ( 1.432 -3.617 -2.481) 4.614 7.261 ( -0.096 1.632 1.367) 2.131 7.306 ( 0.987 -0.027 -3.137) 3.289 8.799 ( -3.621 5.050 0.452) 6.230 8.811 ( 2.452 -7.057 -0.701) 7.503 8.858 ( -1.068 -2.863 0.579) 3.110 8.869 ( -4.621 0.829 -0.491) 4.720 9.141 ( 1.504 1.351 1.083) 2.294 9.160 ( 1.034 -0.094 -0.927) 1.391 10.046 ( -0.201 -1.753 0.960) 2.008 10.064 ( -1.723 0.725 -0.863) 2.059 10.694 ( 0.024 -0.322 0.619) 0.699 10.702 ( -0.825 -0.114 -0.142) 0.845 11.262 ( -1.296 -1.005 3.109) 3.515 11.302 ( -1.735 0.484 -0.336) 1.833 11.539 ( 1.086 -1.205 1.839) 2.452 11.575 ( 0.586 0.400 -1.814) 1.948 12.134 ( -2.968 6.843 -1.407) 7.591 12.184 ( 4.612 -6.140 -5.980) 9.733 12.725 ( -1.336 5.109 3.261) 6.206 12.752 ( 1.770 -3.371 0.748) 3.880 13.411 ( 3.941 -4.410 1.299) 6.056 13.446 ( -1.472 5.770 -2.019) 6.288 13.831 ( -8.002 15.927 5.400) 18.624 13.913 ( 11.595 -14.658 -2.506) 18.857 16.581 ( 1.336 -2.260 0.978) 2.801 16.621 ( -1.231 2.675 -2.972) 4.184 17.229 ( 0.112 -3.295 3.635) 4.908 17.319 ( -7.092 -1.495 -5.262) 8.957 17.641 ( 2.340 -1.392 0.490) 2.767 17.653 ( 0.006 3.162 -0.809) 3.264 18.856 ( -3.010 3.038 19.134) 19.606 19.211 ( 0.534 -4.144 -16.496) 17.017 ======================= Grid point 278 (49/68) ======================= q-point: ( 0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 11.232 19.454 6.573) 23.406 1.673 ( 1.487 2.575 -19.608) 19.832 2.071 ( 3.713 6.431 -3.173) 8.075 2.103 ( 4.267 7.391 -1.440) 8.655 2.228 ( -0.879 -1.522 23.368) 23.434 2.899 ( -6.471 -11.209 -7.170) 14.796 2.937 ( 1.012 1.752 8.800) 9.030 2.990 ( -2.374 -4.111 -6.240) 7.841 3.088 ( 7.962 13.791 4.143) 16.455 3.237 ( -1.572 -2.723 -8.179) 8.762 3.915 ( 1.301 2.254 20.731) 20.894 4.296 ( 0.449 0.778 -19.523) 19.544 4.520 ( 1.879 3.254 13.685) 14.191 4.638 ( 3.956 6.852 -8.663) 11.732 4.688 ( 3.717 6.437 6.854) 10.111 4.960 ( 4.825 8.357 -9.542) 13.571 6.735 ( -2.511 -4.350 -1.006) 5.123 6.786 ( -2.783 -4.821 -1.290) 5.714 6.791 ( -3.298 -5.712 0.663) 6.629 6.927 ( 0.063 0.110 0.199) 0.236 6.968 ( -0.804 -1.393 5.131) 5.377 7.150 ( 1.601 2.773 -3.897) 5.044 7.391 ( -4.523 -7.833 7.300) 11.623 7.488 ( -8.950 -15.502 -4.115) 18.367 8.484 ( 1.304 2.258 -0.275) 2.622 8.503 ( 1.273 2.205 0.916) 2.706 9.119 ( -1.936 -3.353 -0.212) 3.878 9.143 ( -1.179 -2.042 1.868) 3.008 9.262 ( 0.439 0.761 0.241) 0.911 9.342 ( 1.109 1.920 -1.508) 2.682 10.572 ( -5.923 -10.258 -0.377) 11.851 10.598 ( -5.051 -8.748 -1.312) 10.187 10.804 ( -0.798 -1.382 0.366) 1.637 10.809 ( -0.150 -0.261 -0.043) 0.304 11.320 ( 2.752 4.767 -1.166) 5.627 11.368 ( 3.205 5.552 0.406) 6.423 11.590 ( -3.999 -6.927 1.354) 8.112 11.641 ( -2.777 -4.810 0.965) 5.637 12.023 ( -1.792 -3.103 -1.525) 3.894 12.123 ( -1.200 -2.078 0.179) 2.406 12.516 ( 3.839 6.650 6.717) 10.202 12.545 ( 2.121 3.674 -5.960) 7.315 12.980 ( 4.045 7.005 1.190) 8.176 13.054 ( 5.022 8.699 -0.773) 10.074 13.125 ( 5.886 10.194 0.342) 11.776 13.434 ( 14.187 24.573 -10.621) 30.297 16.464 ( 0.699 1.211 0.134) 1.405 16.506 ( 1.212 2.099 -1.055) 2.644 17.241 ( 3.304 5.724 1.404) 6.756 17.348 ( 2.551 4.418 -0.573) 5.134 17.442 ( 3.630 6.288 3.603) 8.105 17.452 ( 5.398 9.350 -2.646) 11.116 20.032 ( -15.031 -26.035 3.522) 30.268 20.112 ( -15.746 -27.273 0.176) 31.493 ======================= Grid point 279 (50/68) ======================= q-point: ( 0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 4.863 6.583 -12.861) 15.245 1.969 ( 7.099 17.782 1.508) 19.206 2.011 ( 3.398 -4.127 -20.680) 21.360 2.026 ( -8.402 12.860 5.894) 16.454 2.543 ( 13.040 7.249 13.642) 20.216 2.675 ( -4.781 -8.664 -3.901) 10.637 2.829 ( -4.361 -8.085 2.258) 9.459 3.028 ( -2.118 3.025 -3.468) 5.066 3.198 ( 7.595 -0.387 0.033) 7.605 3.439 ( 12.433 8.154 0.029) 14.868 3.935 ( -0.960 0.623 19.943) 19.976 4.191 ( -6.319 -9.769 4.309) 12.407 4.631 ( 2.491 6.410 1.872) 7.127 4.805 ( 3.228 7.390 -3.241) 8.691 4.898 ( 13.021 9.839 -3.646) 16.723 5.099 ( 3.655 5.796 -6.377) 9.360 6.659 ( -2.685 -3.332 0.091) 4.280 6.665 ( -2.965 -4.150 -0.013) 5.100 6.691 ( -2.813 -5.136 0.707) 5.899 6.864 ( -6.307 1.621 0.478) 6.529 6.969 ( 2.080 -4.003 2.695) 5.255 7.142 ( -5.559 -10.015 3.098) 11.866 7.219 ( -4.326 0.667 -5.718) 7.201 7.277 ( -1.162 -2.226 -2.618) 3.628 8.592 ( 4.697 5.695 -0.641) 7.410 8.598 ( 4.275 5.764 0.530) 7.196 9.044 ( -0.065 -7.503 -0.163) 7.505 9.058 ( -2.018 -7.816 0.264) 8.077 9.274 ( -2.236 3.479 1.426) 4.374 9.344 ( -3.289 2.676 -0.825) 4.320 10.336 ( -7.851 -9.645 -0.554) 12.449 10.391 ( -8.079 -7.289 -0.977) 10.925 10.763 ( -1.890 -1.532 0.343) 2.457 10.802 ( -1.002 0.808 0.120) 1.293 11.411 ( 1.324 2.534 0.037) 2.859 11.418 ( -0.712 0.463 -0.667) 1.080 11.471 ( -1.469 -3.789 0.194) 4.068 11.572 ( -2.980 1.431 1.452) 3.611 11.974 ( -0.410 -2.966 -1.757) 3.471 12.115 ( 4.001 -2.890 1.407) 5.132 12.585 ( 0.038 3.444 0.957) 3.575 12.665 ( 5.271 2.701 -0.289) 5.929 13.125 ( 5.830 2.629 2.850) 7.001 13.255 ( 8.244 6.617 -2.951) 10.975 13.311 ( 6.279 3.345 0.349) 7.123 13.830 ( 4.996 18.262 -5.356) 19.676 16.502 ( 2.053 1.191 -0.710) 2.478 16.554 ( 1.159 2.533 -0.615) 2.853 17.391 ( 4.646 5.999 -0.408) 7.598 17.420 ( 0.859 3.460 4.450) 5.702 17.513 ( 1.108 0.850 5.049) 5.238 17.626 ( 4.776 2.850 -5.095) 7.542 19.524 ( -19.534 -19.981 7.106) 28.832 19.549 ( -11.968 -17.390 -7.013) 22.244 ======================= Grid point 280 (51/68) ======================= q-point: ( 0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -6.491 2.585 7.027) 9.909 1.901 ( -7.603 8.519 6.961) 13.373 2.050 ( 7.625 -0.794 -13.156) 15.227 2.399 ( -0.354 10.188 -6.598) 12.143 2.595 ( 6.972 2.077 -9.380) 11.871 2.747 ( 7.143 -7.284 -2.697) 10.552 2.807 ( 2.989 14.534 7.163) 16.477 2.943 ( -4.060 0.487 -7.581) 8.613 3.417 ( 14.672 -3.474 1.370) 15.140 3.695 ( 7.319 6.329 1.269) 9.759 3.791 ( -11.367 -8.836 17.481) 22.647 4.028 ( -0.941 -4.960 5.158) 7.217 4.705 ( 1.231 2.716 2.341) 3.791 4.907 ( 2.455 2.527 -4.760) 5.922 5.252 ( 6.830 8.671 4.417) 11.889 5.276 ( 13.759 9.258 -8.486) 18.629 6.507 ( -6.049 -7.267 3.299) 10.014 6.555 ( -7.521 -5.511 0.512) 9.337 6.625 ( -0.366 -1.236 0.346) 1.335 6.785 ( -4.814 3.627 -3.305) 6.874 6.904 ( -1.346 -7.819 -0.645) 7.960 6.983 ( -2.001 -2.273 2.494) 3.923 7.209 ( 0.470 1.625 -1.280) 2.122 7.288 ( 0.863 1.320 -3.770) 4.086 8.722 ( 3.513 2.408 0.087) 4.260 8.734 ( 3.412 3.397 -0.034) 4.815 8.940 ( -0.330 -7.813 0.693) 7.851 8.982 ( 1.605 -6.032 -0.835) 6.298 9.240 ( -6.390 5.398 0.950) 8.418 9.289 ( -6.663 4.478 -0.158) 8.029 10.125 ( -5.202 -7.133 -0.413) 8.838 10.190 ( -6.169 -5.357 -0.640) 8.195 10.716 ( -1.856 -0.695 0.126) 1.986 10.790 ( -2.081 2.517 0.514) 3.306 11.343 ( -3.257 -2.499 0.634) 4.154 11.395 ( -2.329 -1.589 -0.569) 2.876 11.511 ( 2.372 2.194 -0.828) 3.336 11.552 ( -1.474 2.077 1.944) 3.204 11.965 ( 3.753 -4.249 -2.256) 6.102 12.179 ( 4.053 -0.226 0.205) 4.065 12.608 ( 0.848 -0.284 0.702) 1.137 12.767 ( 2.551 3.404 0.087) 4.255 13.235 ( 5.499 -0.966 3.040) 6.357 13.413 ( 4.844 -2.437 0.387) 5.436 13.466 ( 8.728 3.881 -5.553) 11.049 14.017 ( -1.568 13.702 2.067) 13.946 16.548 ( 1.456 0.466 -0.332) 1.564 16.596 ( 1.429 1.408 -1.057) 2.267 17.335 ( -4.624 -5.992 10.262) 12.751 17.526 ( 0.121 0.018 -6.342) 6.343 17.587 ( 2.816 7.534 0.513) 8.060 17.655 ( -1.222 1.003 -4.108) 4.402 19.087 ( -11.664 -8.200 16.867) 22.086 19.258 ( -4.549 -11.300 -15.618) 19.806 ======================= Grid point 281 (52/68) ======================= q-point: ( 0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -6.495 4.013 12.309) 14.485 1.812 ( -10.113 7.826 6.663) 14.420 2.216 ( 8.249 -1.683 -2.714) 8.845 2.371 ( -0.393 3.444 6.961) 7.776 2.641 ( -1.978 -6.322 -13.580) 15.110 2.859 ( 7.144 -2.788 -3.287) 8.343 2.980 ( 3.354 8.943 -11.232) 14.744 3.058 ( 2.388 13.610 -0.782) 13.840 3.490 ( -7.436 -7.354 14.893) 18.198 3.594 ( 7.879 -5.215 -0.147) 9.449 3.856 ( 5.479 3.780 2.047) 6.964 3.971 ( -2.648 -1.225 -4.327) 5.219 4.760 ( 2.769 1.246 7.019) 7.648 4.948 ( 1.607 -1.319 -6.284) 6.619 5.427 ( 5.793 1.989 4.470) 7.582 5.563 ( 8.369 4.118 -4.597) 10.398 6.329 ( -5.878 -5.759 -0.185) 8.232 6.357 ( -5.695 -3.872 3.976) 7.952 6.628 ( 0.953 0.298 -0.004) 0.999 6.747 ( -4.292 4.189 -3.301) 6.846 6.849 ( 2.161 -5.368 -1.766) 6.050 6.945 ( -2.485 2.056 2.777) 4.256 7.253 ( 2.176 1.261 -1.130) 2.757 7.309 ( -0.199 1.087 -1.967) 2.256 8.717 ( -0.341 -7.078 -0.530) 7.106 8.741 ( 1.523 -5.911 0.600) 6.134 8.939 ( -0.512 3.781 0.885) 3.917 8.975 ( -1.410 2.771 -0.834) 3.219 9.198 ( -3.554 5.392 -0.123) 6.459 9.223 ( -5.770 5.883 0.623) 8.263 10.013 ( -0.499 -5.142 0.096) 5.167 10.074 ( -1.424 -4.184 -0.367) 4.435 10.688 ( -1.177 0.712 -0.466) 1.452 10.784 ( -2.606 4.339 1.205) 5.203 11.270 ( -1.937 -2.176 1.330) 3.203 11.331 ( -2.154 -2.133 -1.145) 3.240 11.533 ( -0.298 0.150 0.895) 0.955 11.582 ( 0.369 3.579 1.133) 3.773 12.007 ( 5.621 -5.078 -4.018) 8.574 12.235 ( 0.879 1.988 -1.387) 2.578 12.615 ( 2.542 -3.960 1.142) 4.843 12.827 ( 0.030 3.646 0.882) 3.752 13.302 ( 4.185 -3.000 1.793) 5.452 13.446 ( 5.345 -8.021 1.212) 9.714 13.630 ( 5.416 2.391 -8.027) 9.974 14.086 ( -4.431 10.924 7.296) 13.863 16.547 ( -0.273 -2.025 0.190) 2.052 16.639 ( 1.581 1.049 -1.758) 2.587 17.200 ( -2.431 -5.489 5.465) 8.118 17.402 ( -5.968 -5.820 -6.776) 10.742 17.662 ( -1.104 6.289 -0.571) 6.410 17.731 ( -0.278 9.409 -0.006) 9.414 18.916 ( -3.269 -1.762 19.412) 19.764 19.125 ( 0.857 -9.170 -17.308) 19.606 ======================= Grid point 282 (53/68) ======================= q-point: ( 0.45 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -4.259 7.377 18.814) 20.653 1.756 ( -4.464 7.732 1.940) 9.137 2.254 ( -0.410 0.710 9.683) 9.718 2.505 ( 3.408 -5.904 -21.504) 22.559 2.509 ( 0.179 -0.310 8.164) 8.172 2.898 ( 1.367 -2.368 -1.526) 3.131 3.077 ( -2.688 4.656 4.320) 6.897 3.123 ( -2.695 4.669 -11.188) 12.419 3.398 ( 1.018 -1.763 7.798) 8.059 3.649 ( 0.882 -1.528 -4.257) 4.608 3.907 ( 2.305 -3.992 -2.085) 5.059 3.956 ( -1.116 1.933 -2.137) 3.090 4.802 ( -0.360 0.624 8.553) 8.583 4.951 ( 1.815 -3.144 -6.172) 7.160 5.484 ( 1.947 -3.372 3.721) 5.386 5.653 ( 1.074 -1.860 -4.072) 4.603 6.238 ( 1.060 -1.837 1.123) 2.400 6.291 ( 0.245 -0.424 2.938) 2.978 6.645 ( -0.479 0.830 0.345) 1.019 6.726 ( -2.736 4.739 -3.707) 6.609 6.844 ( 2.558 -4.431 -2.495) 5.692 6.934 ( -2.167 3.754 3.573) 5.617 7.294 ( 0.533 -0.924 -3.305) 3.473 7.300 ( -1.045 1.810 0.949) 2.296 8.667 ( 3.052 -5.286 -0.048) 6.104 8.716 ( 3.279 -5.680 0.066) 6.559 8.941 ( -3.932 6.810 0.375) 7.873 8.979 ( -2.899 5.021 -0.444) 5.815 9.203 ( -2.214 3.836 -0.044) 4.429 9.208 ( -3.095 5.361 0.600) 6.220 9.985 ( 2.289 -3.965 0.383) 4.595 10.041 ( 1.839 -3.186 -0.206) 3.684 10.683 ( -0.814 1.410 -1.005) 1.913 10.784 ( -2.998 5.193 1.775) 6.253 11.239 ( 0.507 -0.878 1.910) 2.162 11.296 ( 0.656 -1.136 -1.578) 2.052 11.530 ( -0.042 0.073 1.366) 1.369 11.606 ( -1.595 2.762 1.033) 3.353 12.036 ( 3.837 -6.646 -5.109) 9.219 12.252 ( -1.471 2.549 -2.000) 3.558 12.618 ( 3.241 -5.614 1.464) 6.646 12.846 ( -1.813 3.141 1.288) 3.849 13.323 ( 2.328 -4.033 0.843) 4.732 13.451 ( 6.005 -10.402 2.048) 12.184 13.694 ( 0.198 -0.343 -9.245) 9.254 14.100 ( -5.617 9.728 9.159) 14.494 16.527 ( 1.306 -2.263 0.148) 2.617 16.660 ( -0.232 0.402 -1.903) 1.959 17.151 ( 1.847 -3.199 1.380) 3.943 17.305 ( 0.248 -0.430 -2.246) 2.300 17.687 ( -3.428 5.937 -0.456) 6.870 17.779 ( -4.618 7.999 -0.504) 9.250 18.884 ( 0.092 -0.160 18.820) 18.821 19.086 ( 4.504 -7.801 -16.964) 19.207 ======================= Grid point 291 (54/68) ======================= q-point: ( 0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 1.523 2.638 -6.949) 7.588 1.955 ( 1.234 2.137 -16.407) 16.591 2.056 ( 2.953 5.114 8.111) 10.033 2.505 ( -2.937 -5.088 -3.499) 6.838 2.534 ( 13.429 23.260 -14.139) 30.352 2.585 ( -6.736 -11.667 3.745) 13.982 2.873 ( 8.950 15.502 18.464) 25.716 3.004 ( -2.408 -4.171 -14.311) 15.100 3.215 ( 1.737 3.008 -0.055) 3.474 3.627 ( 4.478 7.756 5.751) 10.644 3.932 ( -0.527 -0.912 14.975) 15.012 3.940 ( -6.947 -12.032 11.204) 17.848 4.727 ( 1.663 2.880 -4.416) 5.528 4.891 ( 0.429 0.744 -0.061) 0.861 5.190 ( 9.045 15.666 -10.104) 20.720 5.240 ( 4.528 7.842 3.610) 9.749 6.523 ( -3.888 -6.734 3.141) 8.386 6.606 ( -3.136 -5.431 -1.222) 6.390 6.614 ( -1.499 -2.596 0.339) 3.017 6.870 ( -4.308 -7.462 1.404) 8.730 6.882 ( -0.339 -0.587 -1.897) 2.015 6.952 ( -1.284 -2.225 0.568) 2.631 7.236 ( -0.237 -0.410 -1.496) 1.569 7.273 ( 1.128 1.954 -3.922) 4.525 8.702 ( 1.585 2.746 -0.580) 3.223 8.724 ( 2.579 4.467 0.787) 5.218 8.898 ( -3.025 -5.239 0.610) 6.081 8.928 ( -0.932 -1.614 -0.950) 2.092 9.336 ( 1.105 1.913 1.559) 2.704 9.375 ( 0.309 0.535 -0.284) 0.680 10.138 ( -5.277 -9.140 -0.947) 10.596 10.220 ( -5.209 -9.022 -0.281) 10.421 10.735 ( -0.578 -1.001 -0.342) 1.206 10.825 ( 0.739 1.279 0.953) 1.758 11.376 ( -2.103 -3.642 0.897) 4.300 11.392 ( -1.501 -2.600 -1.630) 3.417 11.512 ( 2.947 5.104 0.295) 5.901 11.574 ( -0.759 -1.315 0.158) 1.527 11.976 ( 0.417 0.723 -3.559) 3.655 12.027 ( -1.018 -1.763 5.049) 5.444 12.684 ( 1.096 1.898 2.947) 3.672 12.697 ( 1.791 3.101 -3.924) 5.312 13.166 ( 0.749 1.297 3.875) 4.154 13.302 ( 0.248 0.429 -4.153) 4.182 13.469 ( 5.289 9.160 -3.384) 11.105 14.105 ( 4.957 8.586 2.201) 10.155 16.536 ( 1.125 1.948 -1.219) 2.558 16.590 ( 0.392 0.679 -0.430) 0.894 17.349 ( -4.069 -7.047 11.080) 13.747 17.527 ( 1.134 1.965 -8.566) 8.862 17.605 ( 3.716 6.436 1.010) 7.499 17.666 ( 2.254 3.904 -1.242) 4.676 19.154 ( -8.323 -14.416 15.396) 22.675 19.236 ( -7.265 -12.583 -15.144) 20.987 ======================= Grid point 292 (55/68) ======================= q-point: ( 0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -4.991 3.323 3.300) 6.844 2.062 ( 6.008 0.122 -5.177) 7.932 2.133 ( -10.965 13.058 2.253) 17.199 2.415 ( 0.456 -1.437 4.488) 4.735 2.499 ( 7.708 -6.038 -4.739) 10.878 2.769 ( -0.348 -1.403 -6.442) 6.602 3.050 ( 1.893 12.026 -12.007) 17.099 3.132 ( 4.535 14.051 -0.621) 14.778 3.333 ( 11.639 -4.310 0.980) 12.450 3.559 ( -8.148 -11.318 15.877) 21.132 3.845 ( 0.651 5.556 4.577) 7.227 3.963 ( 2.730 -0.436 4.921) 5.644 4.763 ( -0.294 3.519 -1.527) 3.847 4.882 ( 1.672 -4.419 -4.098) 6.255 5.382 ( 3.019 4.403 5.409) 7.600 5.460 ( 7.396 5.633 -5.655) 10.881 6.387 ( -4.759 -4.218 3.232) 7.134 6.429 ( -7.838 -6.413 -1.318) 10.213 6.588 ( 1.799 -2.162 -0.065) 2.814 6.749 ( -0.537 -6.244 1.788) 6.517 6.875 ( -2.263 4.604 -3.618) 6.278 6.974 ( 1.515 1.450 0.475) 2.150 7.240 ( 0.533 0.986 -1.910) 2.215 7.314 ( 1.006 1.539 -1.191) 2.190 8.673 ( -1.682 -5.211 -0.253) 5.481 8.678 ( -1.643 -5.817 0.282) 6.052 8.948 ( 3.567 6.020 1.494) 7.155 8.993 ( 2.945 4.885 -1.296) 5.849 9.343 ( -3.777 4.578 0.870) 5.998 9.374 ( -2.952 3.893 0.340) 4.897 9.973 ( -2.958 -7.527 -0.985) 8.147 10.042 ( -3.361 -8.899 0.387) 9.520 10.727 ( -0.766 1.788 -1.364) 2.376 10.852 ( -0.241 3.084 2.316) 3.864 11.296 ( -3.111 -2.223 0.247) 3.832 11.330 ( -1.566 -4.147 -1.392) 4.646 11.543 ( -0.757 -0.363 -1.952) 2.125 11.619 ( 1.899 5.779 2.189) 6.465 11.941 ( -2.109 1.557 -0.463) 2.662 12.102 ( 8.978 -5.405 0.801) 10.510 12.644 ( -5.174 2.399 -0.171) 5.705 12.786 ( 5.065 -2.325 -0.675) 5.614 13.188 ( 3.018 -3.180 3.790) 5.795 13.290 ( 0.904 -4.564 -3.435) 5.784 13.649 ( 3.632 9.106 -7.284) 12.214 14.212 ( -0.248 5.594 8.455) 10.141 16.553 ( -1.656 -0.146 -0.342) 1.697 16.599 ( 2.222 -1.155 -0.805) 2.631 17.201 ( -3.703 -5.825 6.912) 9.768 17.428 ( -4.824 -7.264 -8.200) 11.970 17.746 ( 2.237 9.252 -0.220) 9.521 17.821 ( 3.057 10.984 0.570) 11.416 18.942 ( -4.113 -5.855 18.800) 20.115 19.025 ( -2.752 -11.281 -17.773) 21.230 ======================= Grid point 293 (56/68) ======================= q-point: ( 0.36 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -4.258 5.314 13.969) 15.541 1.954 ( -7.750 2.386 4.927) 9.489 2.251 ( 4.644 7.844 -9.178) 12.936 2.435 ( -4.865 -0.569 -6.156) 7.866 2.519 ( 2.088 0.992 1.690) 2.863 2.815 ( 5.179 -1.680 -0.599) 5.477 3.126 ( -0.143 2.566 -0.028) 2.570 3.246 ( -4.871 3.177 0.448) 5.833 3.358 ( 0.289 -4.362 3.766) 5.770 3.540 ( 10.788 1.339 1.651) 10.995 3.848 ( -2.331 -6.393 -0.462) 6.820 4.014 ( 0.017 6.515 -3.088) 7.210 4.819 ( 2.800 1.796 2.489) 4.155 4.868 ( 0.282 -2.163 -2.375) 3.225 5.424 ( 1.050 -1.936 1.800) 2.845 5.563 ( 4.231 -4.225 -2.901) 6.646 6.258 ( -4.462 -1.126 -0.569) 4.637 6.305 ( -2.118 -0.607 2.637) 3.436 6.619 ( 2.974 -1.607 0.507) 3.418 6.692 ( 1.553 -6.870 -0.402) 7.055 6.890 ( -2.949 6.475 -3.030) 7.733 7.010 ( -0.886 3.664 1.686) 4.129 7.267 ( 1.399 -0.051 -2.319) 2.709 7.334 ( -0.499 1.418 0.358) 1.545 8.595 ( -0.059 -3.981 0.354) 3.997 8.630 ( 0.871 -3.776 -0.189) 3.879 9.045 ( 0.032 5.196 0.721) 5.246 9.061 ( -1.039 4.264 -0.546) 4.422 9.322 ( -4.573 6.778 0.599) 8.198 9.356 ( -4.941 7.151 0.205) 8.695 9.888 ( 1.830 -6.915 -0.566) 7.176 9.938 ( 2.118 -8.782 0.712) 9.062 10.738 ( -1.569 3.728 -2.462) 4.735 10.878 ( -1.307 4.086 4.027) 5.884 11.234 ( -1.153 -1.484 0.354) 1.912 11.266 ( -0.370 -3.617 -1.991) 4.145 11.536 ( -0.399 0.592 -2.926) 3.012 11.687 ( -1.701 6.462 3.955) 7.765 11.940 ( 1.312 -1.476 -1.714) 2.615 12.187 ( 6.218 -5.797 -0.686) 8.528 12.581 ( -2.409 0.134 0.798) 2.542 12.825 ( 3.695 -4.975 -0.115) 6.198 13.208 ( 4.485 -6.211 1.619) 7.830 13.255 ( 1.118 -4.676 -1.194) 4.954 13.766 ( -0.426 6.976 -9.809) 12.044 14.238 ( -2.062 4.358 11.440) 12.414 16.506 ( -1.280 -1.481 0.042) 1.958 16.627 ( 2.372 -2.395 -0.088) 3.372 17.120 ( -0.979 -1.682 1.388) 2.390 17.293 ( -1.890 -4.598 -2.841) 5.725 17.852 ( -3.185 11.492 -1.212) 11.987 17.946 ( -2.205 10.488 0.104) 10.718 18.861 ( -0.087 -3.468 18.191) 18.519 18.907 ( 3.171 -11.690 -17.272) 21.096 ======================= Grid point 299 (57/68) ======================= q-point: (-0.09 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -4.581 7.935 19.338) 21.399 1.463 ( 0.034 -0.059 31.206) 31.206 1.735 ( -3.240 5.612 -19.204) 20.268 2.471 ( -5.326 9.225 -9.966) 14.587 2.601 ( 5.627 -9.746 -13.628) 17.674 2.694 ( -2.732 4.732 11.960) 13.150 2.844 ( -4.511 7.814 4.351) 10.017 3.054 ( 1.575 -2.728 -0.689) 3.224 3.193 ( 0.242 -0.420 -7.017) 7.033 3.280 ( -2.873 4.977 -11.014) 12.423 3.832 ( -3.070 5.318 23.934) 24.709 4.318 ( 0.721 -1.249 -17.990) 18.048 4.456 ( -2.001 3.465 9.091) 9.932 4.695 ( -3.283 5.687 9.392) 11.460 4.833 ( -2.736 4.739 -15.475) 16.414 4.843 ( -5.866 10.160 -1.686) 11.852 6.727 ( 3.511 -6.081 0.291) 7.028 6.772 ( 2.567 -4.447 -0.707) 5.183 6.793 ( 2.864 -4.960 0.479) 5.748 6.919 ( -0.013 0.022 0.932) 0.933 7.063 ( -1.701 2.947 4.290) 5.476 7.094 ( -0.131 0.226 -7.006) 7.011 7.360 ( 6.099 -10.563 8.302) 14.755 7.473 ( 8.523 -14.763 -0.450) 17.052 8.476 ( -1.071 1.855 0.497) 2.199 8.513 ( -1.428 2.474 -0.032) 2.857 9.114 ( 1.750 -3.031 0.476) 3.532 9.166 ( 2.366 -4.098 -0.253) 4.739 9.278 ( -1.405 2.434 -1.472) 3.172 9.306 ( -1.427 2.471 1.976) 3.470 10.575 ( 6.016 -10.419 -0.925) 12.067 10.586 ( 5.255 -9.101 0.048) 10.510 10.807 ( 0.205 -0.356 0.133) 0.432 10.810 ( 0.689 -1.193 -0.175) 1.389 11.313 ( -2.639 4.570 -0.254) 5.284 11.377 ( -2.823 4.889 -0.683) 5.686 11.594 ( 4.244 -7.351 0.459) 8.501 11.640 ( 2.379 -4.121 1.430) 4.969 12.038 ( 2.221 -3.847 -2.439) 5.068 12.152 ( -0.086 0.149 -2.819) 2.825 12.437 ( -2.658 4.603 4.849) 7.194 12.668 ( -2.984 5.168 -8.796) 10.629 13.011 ( -4.856 8.410 -1.911) 9.898 13.033 ( -4.079 7.065 1.648) 8.323 13.146 ( -6.400 11.085 -2.932) 13.131 13.265 ( -12.694 21.986 6.761) 26.272 16.472 ( -0.150 0.260 -0.721) 0.782 16.486 ( -1.401 2.427 0.923) 2.951 17.255 ( -2.087 3.614 0.018) 4.173 17.320 ( -3.603 6.240 2.075) 7.499 17.436 ( -4.926 8.532 -1.188) 9.923 17.518 ( -5.447 9.435 -3.542) 11.456 20.068 ( 17.425 -30.180 -0.586) 34.854 20.086 ( 13.344 -23.113 3.397) 26.904 ======================= Grid point 303 (58/68) ======================= q-point: ( 0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 0.375 0.649 -1.657) 1.819 1.971 ( -3.987 -6.906 7.474) 10.929 2.344 ( 3.466 6.003 -7.554) 10.253 2.450 ( 3.007 5.209 -1.802) 6.279 2.546 ( 3.888 6.734 7.329) 10.686 2.720 ( 0.070 0.122 -2.920) 2.923 3.155 ( -2.698 -4.673 -3.586) 6.480 3.297 ( -4.785 -8.287 13.462) 16.516 3.351 ( 5.284 9.152 -12.330) 16.239 3.399 ( 3.400 5.890 7.663) 10.245 3.838 ( -3.256 -5.639 1.979) 6.806 4.054 ( 3.509 6.078 -1.724) 7.227 4.771 ( -2.199 -3.809 -0.432) 4.419 4.887 ( 4.443 7.695 -2.094) 9.129 5.412 ( -0.835 -1.446 4.160) 4.482 5.481 ( -1.752 -3.035 -4.836) 5.972 6.317 ( -2.268 -3.929 -2.517) 5.188 6.327 ( -0.936 -1.620 2.549) 3.162 6.551 ( -0.447 -0.774 0.211) 0.918 6.645 ( -2.412 -4.178 1.756) 5.133 6.965 ( 2.156 3.735 -2.210) 4.846 7.028 ( 1.638 2.838 0.273) 3.288 7.254 ( 0.328 0.567 -1.725) 1.845 7.345 ( 0.671 1.162 0.300) 1.375 8.577 ( -1.691 -2.929 0.527) 3.423 8.603 ( -1.136 -1.968 -0.281) 2.289 9.070 ( 2.738 4.742 1.173) 5.600 9.091 ( 2.095 3.629 -0.913) 4.289 9.431 ( 2.206 3.822 1.321) 4.606 9.457 ( 2.438 4.222 -0.195) 4.879 9.820 ( -3.982 -6.897 -1.194) 8.053 9.846 ( -5.181 -8.975 1.107) 10.422 10.780 ( 1.628 2.820 -3.046) 4.459 10.909 ( 1.314 2.276 4.484) 5.198 11.242 ( -2.097 -3.632 -1.600) 4.489 11.243 ( -1.711 -2.964 0.104) 3.424 11.549 ( 0.683 1.183 -6.005) 6.158 11.751 ( 3.597 6.231 3.974) 8.219 11.975 ( -0.685 -1.186 4.564) 4.765 12.019 ( -0.138 -0.238 -1.847) 1.867 12.658 ( -1.703 -2.951 -1.200) 3.612 12.692 ( -1.988 -3.444 -0.109) 3.978 13.151 ( -0.170 -0.295 1.552) 1.589 13.220 ( -1.484 -2.570 -2.173) 3.678 13.809 ( 3.371 5.838 -10.004) 12.063 14.277 ( 0.791 1.370 12.162) 12.264 16.530 ( -1.250 -2.165 -0.098) 2.502 16.568 ( -0.613 -1.061 0.824) 1.476 17.126 ( -0.671 -1.163 2.154) 2.539 17.284 ( -3.429 -5.940 -3.780) 7.831 17.957 ( 5.817 10.075 -1.137) 11.689 18.031 ( 4.797 8.308 0.493) 9.606 18.798 ( -5.771 -9.996 -18.007) 21.388 18.839 ( -2.339 -4.051 18.027) 18.624 ======================= Grid point 304 (59/68) ======================= q-point: ( 0.36 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -0.945 1.636 7.879) 8.103 1.915 ( 2.270 -3.932 -2.122) 5.012 2.450 ( -2.563 4.438 -8.812) 10.194 2.452 ( -2.982 5.166 -5.995) 8.457 2.641 ( -4.471 7.744 10.376) 13.697 2.777 ( 1.476 -2.556 3.988) 4.961 3.071 ( 2.417 -4.186 -4.232) 6.424 3.166 ( 3.419 -5.922 14.161) 15.726 3.437 ( -4.798 8.311 -3.498) 10.214 3.583 ( 0.685 -1.186 2.074) 2.486 3.689 ( 3.319 -5.748 -1.302) 6.764 4.117 ( -1.146 1.985 -8.746) 9.041 4.742 ( 1.300 -2.251 2.798) 3.819 5.006 ( -4.445 7.699 0.730) 8.920 5.371 ( 1.167 -2.022 -2.237) 3.234 5.422 ( 4.241 -7.345 -1.417) 8.599 6.275 ( -1.268 2.196 -0.882) 2.685 6.313 ( -0.058 0.101 0.240) 0.267 6.563 ( 1.863 -3.227 0.487) 3.758 6.580 ( 1.436 -2.488 1.476) 3.230 7.009 ( -2.464 4.267 -1.282) 5.091 7.060 ( -0.294 0.509 0.477) 0.757 7.261 ( 0.138 -0.239 -1.448) 1.474 7.357 ( -0.370 0.640 0.567) 0.932 8.549 ( 0.488 -0.846 0.824) 1.278 8.586 ( 0.484 -0.839 -0.489) 1.085 9.125 ( -1.079 1.869 0.617) 2.244 9.126 ( -1.112 1.926 -0.329) 2.249 9.483 ( -4.854 8.407 1.239) 9.786 9.517 ( -4.517 7.823 -0.531) 9.049 9.731 ( 4.463 -7.731 -0.993) 8.982 9.733 ( 5.699 -9.870 1.307) 11.472 10.816 ( -1.606 2.781 -4.000) 5.130 10.936 ( -0.830 1.438 5.889) 6.119 11.201 ( 0.792 -1.371 -0.249) 1.603 11.202 ( 1.125 -1.949 -1.850) 2.913 11.568 ( -1.026 1.776 -7.288) 7.571 11.836 ( -4.153 7.193 5.563) 9.997 11.931 ( -0.323 0.559 0.987) 1.179 12.037 ( 4.556 -7.892 2.324) 9.404 12.594 ( -0.646 1.118 -0.956) 1.607 12.670 ( 3.915 -6.780 -0.983) 7.891 13.154 ( -0.049 0.085 -0.153) 0.182 13.189 ( 1.266 -2.192 -0.823) 2.662 13.873 ( -1.627 2.818 -11.125) 11.591 14.289 ( -0.569 0.986 13.189) 13.238 16.500 ( -0.594 1.029 0.747) 1.403 16.557 ( 1.999 -3.463 1.158) 4.163 17.129 ( -1.118 1.936 -0.377) 2.267 17.209 ( 1.956 -3.388 -1.354) 4.140 18.089 ( -5.273 9.133 -0.869) 10.582 18.122 ( -3.063 5.305 0.250) 6.131 18.672 ( 5.180 -8.972 -18.382) 21.101 18.792 ( 1.388 -2.403 17.441) 17.660 ======================= Grid point 310 (60/68) ======================= q-point: (-0.18 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -7.427 3.010 18.664) 20.312 1.590 ( -17.144 5.074 7.443) 19.367 1.920 ( -3.402 15.055 -2.403) 15.620 2.333 ( 10.527 -0.760 -11.820) 15.846 2.507 ( 0.090 -7.419 5.286) 9.110 2.782 ( -3.370 -0.909 -2.664) 4.391 2.921 ( 8.618 -2.243 -0.024) 8.906 2.968 ( 0.555 5.962 -7.038) 9.241 3.276 ( -10.351 -1.285 -5.614) 11.845 3.514 ( -8.152 13.002 -7.493) 17.078 3.988 ( -3.068 6.166 19.719) 20.887 4.229 ( 5.379 -5.722 -6.011) 9.890 4.576 ( -5.255 6.437 12.171) 14.737 4.795 ( -1.781 3.312 -1.505) 4.050 4.885 ( -4.521 1.722 -6.378) 8.005 5.092 ( -8.657 10.830 -5.126) 14.782 6.633 ( 1.549 -2.722 2.028) 3.731 6.679 ( 3.579 -6.376 0.276) 7.317 6.681 ( 2.509 -3.573 -0.043) 4.366 6.878 ( 6.028 1.383 0.243) 6.190 7.052 ( 4.584 -5.217 0.053) 6.945 7.101 ( -0.221 -4.422 -2.625) 5.147 7.194 ( 0.454 -2.310 -1.180) 2.633 7.237 ( 4.235 -3.955 2.957) 6.505 8.574 ( -4.742 5.389 0.715) 7.214 8.616 ( -4.229 6.112 -0.884) 7.485 9.033 ( 1.236 -6.927 0.744) 7.076 9.066 ( 1.039 -8.742 -0.321) 8.809 9.307 ( 2.500 3.516 -1.632) 4.612 9.321 ( 2.703 3.478 1.349) 4.606 10.335 ( 7.845 -9.999 -0.612) 12.724 10.377 ( 7.869 -7.421 0.402) 10.824 10.771 ( 1.820 -1.550 -0.405) 2.425 10.800 ( 1.085 1.080 0.304) 1.561 11.404 ( 1.297 -1.076 0.778) 1.857 11.414 ( -3.144 3.959 -0.208) 5.060 11.460 ( 3.756 -4.312 0.792) 5.773 11.586 ( 1.748 0.878 0.318) 1.982 11.978 ( 0.047 -3.482 -1.780) 3.911 12.170 ( -1.547 1.250 -3.914) 4.391 12.527 ( -2.706 2.480 4.159) 5.547 12.728 ( -1.629 0.812 -3.985) 4.381 13.159 ( -4.594 3.111 1.422) 5.728 13.210 ( -9.074 3.083 -0.087) 9.584 13.344 ( -6.800 2.965 -3.629) 8.258 13.698 ( -9.031 20.705 7.358) 23.757 16.493 ( -1.853 0.407 0.054) 1.898 16.541 ( -1.605 2.458 0.544) 2.986 17.347 ( -3.133 2.762 3.398) 5.384 17.453 ( -3.347 6.929 0.183) 7.698 17.558 ( -1.591 3.419 1.934) 4.238 17.670 ( -2.525 3.146 -8.457) 9.370 19.413 ( 19.683 -26.142 6.467) 33.356 19.654 ( 12.632 -12.456 -5.867) 18.685 ======================= Grid point 322 (61/68) ======================= q-point: (-0.27 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -2.420 4.331 18.906) 19.546 1.905 ( 2.134 3.087 0.263) 3.762 2.120 ( -13.804 8.689 -7.555) 17.976 2.320 ( -2.735 11.911 -2.745) 12.525 2.473 ( -0.867 -3.152 4.139) 5.274 2.701 ( 5.253 -7.217 2.262) 9.208 2.800 ( -1.983 -2.987 -2.427) 4.330 3.053 ( -0.432 8.983 -8.049) 12.069 3.460 ( -11.197 -3.791 -1.697) 11.943 3.761 ( -5.312 10.703 -5.795) 13.280 3.949 ( 7.882 -1.702 9.773) 12.670 4.034 ( 8.723 -6.521 -3.695) 11.501 4.708 ( -4.577 1.632 7.661) 9.072 4.851 ( -2.219 1.201 -4.239) 4.933 5.126 ( -14.437 7.813 5.234) 17.230 5.361 ( -8.402 9.783 -5.733) 14.113 6.494 ( 7.627 -7.113 3.286) 10.934 6.581 ( 1.383 -4.325 -0.187) 4.545 6.654 ( 0.464 -1.118 -2.602) 2.870 6.731 ( 8.970 1.471 1.790) 9.264 6.900 ( 3.346 -5.687 -0.391) 6.610 7.022 ( 1.413 -3.711 -1.153) 4.134 7.206 ( -1.224 -0.003 -1.038) 1.605 7.247 ( -2.120 2.541 -0.234) 3.317 8.710 ( -3.639 2.748 0.724) 4.617 8.746 ( -3.176 2.915 -0.716) 4.370 8.945 ( -0.488 -6.224 0.484) 6.262 8.975 ( -1.151 -7.193 -0.465) 7.300 9.246 ( 7.804 4.840 0.446) 9.194 9.296 ( 5.736 5.307 -0.833) 7.859 10.124 ( 4.723 -7.585 -0.370) 8.943 10.179 ( 6.206 -5.125 0.394) 8.058 10.721 ( 1.845 -1.266 -0.439) 2.280 10.792 ( 2.286 3.394 0.396) 4.111 11.337 ( 2.634 -3.172 1.271) 4.314 11.368 ( 2.791 -2.698 1.590) 4.195 11.503 ( -1.839 3.740 -0.035) 4.168 11.583 ( 0.165 1.254 -0.828) 1.512 11.968 ( -3.048 -3.923 -2.408) 5.521 12.223 ( -1.677 2.574 -4.025) 5.064 12.576 ( -2.047 -0.990 3.200) 3.926 12.769 ( -2.094 0.875 0.569) 2.339 13.254 ( -4.960 -1.079 1.961) 5.441 13.383 ( -8.239 -0.302 1.923) 8.466 13.452 ( -4.926 -1.839 -3.715) 6.439 14.001 ( -2.587 18.061 3.470) 18.573 16.540 ( -2.460 0.438 0.380) 2.528 16.583 ( -1.045 0.758 0.187) 1.304 17.361 ( 2.163 -2.660 7.539) 8.282 17.553 ( 0.627 2.523 -5.226) 5.836 17.627 ( -1.324 6.725 -0.379) 6.865 17.635 ( 4.179 -2.141 -8.495) 9.706 18.930 ( 8.491 -15.436 17.462) 24.805 19.389 ( 7.211 -5.343 -13.513) 16.222 ======================= Grid point 323 (62/68) ======================= q-point: (-0.18 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -5.601 9.701 10.319) 15.230 1.732 ( -5.829 10.095 3.346) 12.128 2.194 ( -3.093 5.358 0.014) 6.187 2.370 ( -6.960 12.056 -0.666) 13.937 2.434 ( -0.362 0.628 2.551) 2.652 2.666 ( 4.552 -7.884 -4.516) 10.162 2.801 ( 4.535 -7.854 5.704) 10.714 3.175 ( -5.113 8.855 -10.573) 14.709 3.241 ( 0.080 -0.139 -2.533) 2.538 3.758 ( -5.877 10.179 -7.915) 14.170 4.011 ( 2.825 -4.893 5.241) 7.707 4.098 ( 3.707 -6.421 -0.254) 7.419 4.664 ( -0.571 0.988 4.104) 4.260 4.847 ( -0.489 0.847 2.026) 2.250 5.024 ( -7.975 13.813 3.587) 16.348 5.337 ( -6.470 11.207 -5.279) 13.976 6.543 ( 4.701 -8.143 4.726) 10.524 6.558 ( 2.341 -4.054 -0.621) 4.723 6.637 ( 0.024 -0.042 -1.634) 1.635 6.891 ( 1.189 -2.059 0.049) 2.378 6.906 ( 4.235 -7.336 -3.682) 9.236 6.943 ( 2.786 -4.825 0.624) 5.607 7.209 ( 0.005 -0.009 0.466) 0.467 7.238 ( -1.986 3.441 -0.135) 3.975 8.692 ( -2.303 3.989 0.390) 4.623 8.735 ( -1.637 2.835 -0.245) 3.282 8.909 ( 1.757 -3.043 0.919) 3.632 8.914 ( 1.825 -3.161 -1.012) 3.788 9.363 ( -0.558 0.966 0.962) 1.473 9.367 ( -0.919 1.592 -1.398) 2.310 10.129 ( 5.457 -9.451 -0.248) 10.916 10.212 ( 4.908 -8.500 0.526) 9.830 10.736 ( 0.907 -1.571 -0.412) 1.860 10.835 ( -1.174 2.033 0.085) 2.349 11.353 ( 1.943 -3.365 2.121) 4.427 11.375 ( 2.199 -3.809 0.643) 4.445 11.525 ( -3.497 6.058 -0.987) 7.064 11.567 ( 1.281 -2.218 0.822) 2.690 11.950 ( 0.027 -0.047 -0.310) 0.314 12.166 ( 0.035 -0.061 -8.733) 8.733 12.610 ( -2.128 3.686 4.369) 6.099 12.704 ( 0.921 -1.595 1.280) 2.243 13.201 ( -0.390 0.675 5.547) 5.602 13.244 ( -1.053 1.824 -3.891) 4.425 13.457 ( -3.449 5.973 -2.058) 7.198 14.073 ( -8.549 14.807 5.009) 17.817 16.517 ( -1.094 1.895 0.418) 2.228 16.577 ( -0.397 0.687 0.724) 1.074 17.365 ( 1.144 -1.981 7.178) 7.534 17.575 ( -0.893 1.547 -6.703) 6.937 17.658 ( -4.001 6.930 0.606) 8.025 17.660 ( 0.826 -1.430 -9.097) 9.245 18.925 ( 10.932 -18.935 16.117) 27.163 19.427 ( 5.358 -9.280 -12.054) 16.128 ======================= Grid point 334 (63/68) ======================= q-point: (-0.36 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -2.243 7.478 11.236) 13.682 1.797 ( 10.743 8.615 5.783) 14.936 2.252 ( 9.310 -3.910 2.630) 10.435 2.451 ( -7.783 -1.990 -6.580) 10.385 2.574 ( -11.122 3.470 -5.737) 12.987 2.696 ( -2.185 6.736 6.870) 9.867 2.849 ( -5.620 -1.573 -1.523) 6.032 3.152 ( -1.611 5.095 -5.118) 7.399 3.525 ( 0.608 -2.794 7.435) 7.966 3.760 ( 8.714 -6.004 -8.601) 13.637 3.864 ( 0.296 0.472 3.146) 3.195 3.940 ( -3.710 3.869 -6.548) 8.462 4.784 ( -2.094 -0.105 9.507) 9.735 4.902 ( -4.094 -0.877 -6.223) 7.500 5.429 ( -10.351 3.771 4.814) 12.022 5.548 ( -4.516 2.021 -3.789) 6.232 6.311 ( 4.482 -4.499 1.400) 6.503 6.446 ( 6.597 -3.574 -4.318) 8.656 6.622 ( 1.170 2.636 2.301) 3.690 6.693 ( 1.796 2.078 0.397) 2.775 6.819 ( -0.022 -4.303 0.828) 4.382 6.988 ( 0.969 0.451 -1.181) 1.593 7.229 ( -1.400 -0.393 0.683) 1.606 7.304 ( -1.183 1.972 -1.277) 2.630 8.708 ( -0.159 -6.102 0.318) 6.112 8.751 ( -1.048 -6.791 -0.374) 6.881 8.955 ( -0.153 3.173 0.350) 3.196 8.963 ( 2.110 3.365 -0.669) 4.028 9.183 ( 4.109 6.086 1.009) 7.412 9.242 ( 5.619 5.433 -0.910) 7.869 10.019 ( -0.229 -5.613 -0.470) 5.637 10.063 ( 1.783 -3.648 0.619) 4.107 10.684 ( 1.262 -0.443 -0.003) 1.338 10.793 ( 2.951 5.863 0.277) 6.569 11.266 ( 1.270 -3.066 2.310) 4.043 11.298 ( 1.863 -2.583 1.157) 3.388 11.551 ( -1.258 0.210 -0.871) 1.545 11.601 ( 1.143 3.982 -0.251) 4.151 11.992 ( -3.821 -4.183 -2.700) 6.276 12.271 ( -0.711 2.298 -4.956) 5.509 12.591 ( -2.701 -3.952 3.245) 5.783 12.812 ( -0.896 1.687 2.697) 3.305 13.318 ( -4.892 -3.712 0.414) 6.155 13.482 ( -10.095 -14.223 1.067) 17.474 13.502 ( 0.846 6.840 0.824) 6.941 14.172 ( 2.440 15.139 -1.123) 15.376 16.565 ( -0.975 -1.939 -1.676) 2.742 16.608 ( -1.018 0.966 1.247) 1.877 17.270 ( 3.145 -3.082 4.089) 6.009 17.368 ( 7.516 -8.171 -9.022) 14.306 17.658 ( 0.614 5.964 -0.133) 5.997 17.724 ( 1.001 9.107 0.668) 9.186 18.763 ( -1.436 -8.556 19.026) 20.911 19.262 ( 2.784 -2.665 -15.339) 15.816 ======================= Grid point 335 (64/68) ======================= q-point: (-0.27 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 2.214 9.684 8.331) 12.965 1.962 ( -7.034 3.318 -0.170) 7.779 2.288 ( -0.502 6.948 -3.940) 8.003 2.448 ( 10.528 -2.222 -3.519) 11.321 2.507 ( -4.097 2.481 -4.131) 6.325 2.710 ( -8.294 12.619 13.749) 20.422 2.719 ( -5.988 -1.227 -0.785) 6.163 3.177 ( 2.683 0.970 -0.823) 2.969 3.389 ( -9.531 -1.088 -2.102) 9.820 3.824 ( 7.109 -9.459 -7.899) 14.227 3.904 ( -0.311 1.142 -0.697) 1.374 3.978 ( 4.290 1.483 1.118) 4.674 4.721 ( -4.757 2.043 3.321) 6.151 4.838 ( -0.488 -2.279 -1.225) 2.633 5.308 ( -8.220 7.284 7.019) 13.034 5.507 ( -3.074 3.304 -4.768) 6.565 6.364 ( 5.888 -5.166 2.759) 8.304 6.481 ( 2.624 -4.538 -3.563) 6.338 6.631 ( -0.393 -1.359 -4.250) 4.480 6.781 ( 4.015 1.776 3.464) 5.593 6.807 ( 2.728 -2.568 -1.835) 4.172 6.959 ( -3.435 -0.612 2.006) 4.025 7.215 ( -0.363 0.624 0.125) 0.733 7.304 ( -1.492 2.567 -0.090) 2.971 8.669 ( 2.118 -4.854 0.125) 5.298 8.684 ( 1.062 -5.884 -0.281) 5.986 8.960 ( -3.190 5.299 1.355) 6.332 8.983 ( -3.356 5.502 -1.306) 6.576 9.348 ( 4.768 4.940 0.434) 6.880 9.385 ( 2.410 3.460 -0.638) 4.265 9.962 ( 2.606 -8.050 0.111) 8.462 10.044 ( 3.391 -8.028 0.125) 8.716 10.712 ( 1.115 0.469 0.156) 1.220 10.882 ( -0.174 4.910 -0.516) 4.940 11.272 ( 2.876 -3.024 2.220) 4.727 11.302 ( 1.929 -3.473 1.142) 4.133 11.517 ( 0.220 -3.358 0.576) 3.415 11.655 ( -2.414 7.149 -1.209) 7.641 11.953 ( 0.757 1.901 -1.645) 2.626 12.187 ( -4.499 -4.485 -7.294) 9.673 12.603 ( 4.123 2.108 3.659) 5.902 12.735 ( -5.593 -3.881 4.559) 8.193 13.211 ( -2.140 -2.694 4.102) 5.354 13.264 ( -2.613 -4.714 -3.545) 6.451 13.568 ( -1.611 6.333 0.790) 6.582 14.306 ( -2.711 11.078 -0.683) 11.425 16.551 ( 0.386 0.192 -0.240) 0.494 16.580 ( -1.667 -0.628 0.957) 2.022 17.290 ( 2.862 -3.749 5.239) 7.049 17.402 ( 7.214 -10.907 -12.727) 18.248 17.746 ( -1.130 8.504 -0.132) 8.580 17.821 ( -2.746 10.692 0.594) 11.055 18.659 ( 2.366 -10.938 18.948) 22.006 19.269 ( 3.449 -6.058 -14.036) 15.672 ======================= Grid point 344 (65/68) ======================= q-point: (-0.45 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 6.220 10.774 7.302) 14.425 1.818 ( 6.276 10.871 -0.430) 12.560 2.088 ( -2.135 -3.698 19.689) 20.147 2.508 ( -4.806 -8.325 -16.711) 19.279 2.696 ( -2.106 -3.647 -8.919) 9.864 2.780 ( 6.011 10.411 15.015) 19.234 2.910 ( -1.403 -2.429 0.608) 2.870 3.191 ( 0.747 1.293 -6.793) 6.955 3.489 ( 1.267 2.194 10.549) 10.849 3.624 ( -1.053 -1.824 -10.933) 11.134 3.887 ( -2.397 -4.152 -0.407) 4.811 4.000 ( 1.037 1.796 -5.627) 5.997 4.792 ( -1.019 -1.765 9.812) 10.021 4.949 ( -0.693 -1.200 -6.168) 6.322 5.560 ( -0.596 -1.032 5.052) 5.191 5.564 ( -2.955 -5.118 -4.165) 7.230 6.255 ( -0.682 -1.181 -0.346) 1.407 6.360 ( 0.364 0.630 -3.612) 3.684 6.640 ( 3.092 5.356 4.838) 7.852 6.675 ( 0.760 1.317 -2.618) 3.028 6.802 ( -2.348 -4.066 1.509) 4.932 6.984 ( 1.181 2.046 -1.335) 2.714 7.242 ( -0.420 -0.727 1.786) 1.974 7.325 ( 0.434 0.752 -1.654) 1.868 8.671 ( -2.801 -4.851 -0.421) 5.618 8.713 ( -3.465 -6.002 0.394) 6.942 8.953 ( 4.094 7.092 -0.809) 8.229 8.970 ( 2.818 4.881 0.530) 5.661 9.200 ( 2.576 4.461 0.314) 5.161 9.216 ( 2.742 4.749 -0.156) 5.486 9.996 ( -2.648 -4.587 -0.697) 5.342 10.030 ( -1.458 -2.524 0.921) 3.057 10.670 ( 0.217 0.375 0.345) 0.554 10.800 ( 3.923 6.794 0.182) 7.848 11.239 ( -0.894 -1.548 3.477) 3.910 11.262 ( -1.109 -1.920 -0.053) 2.218 11.562 ( -1.217 -2.109 -1.667) 2.951 11.613 ( 3.064 5.307 0.730) 6.171 12.006 ( -2.702 -4.679 -2.616) 6.003 12.290 ( 0.682 1.182 -5.660) 5.822 12.595 ( -2.816 -4.878 3.450) 6.605 12.829 ( 0.748 1.296 3.156) 3.493 13.345 ( -3.058 -5.296 -1.173) 6.227 13.490 ( -8.438 -14.615 -0.453) 16.882 13.536 ( 2.351 4.073 4.804) 6.723 14.229 ( 7.051 12.212 -3.223) 14.465 16.559 ( -1.635 -2.832 -3.116) 4.517 16.624 ( 0.637 1.104 1.623) 2.064 17.210 ( -2.016 -3.492 -3.946) 5.642 17.260 ( 0.125 0.217 1.925) 1.941 17.685 ( 2.779 4.813 -0.476) 5.578 17.764 ( 4.723 8.180 1.023) 9.501 18.740 ( -4.105 -7.110 17.689) 19.501 19.224 ( -0.641 -1.110 -15.210) 15.264 ======================= Grid point 346 (66/68) ======================= q-point: (-0.36 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -1.422 4.689 5.820) 7.608 2.064 ( 5.322 14.652 5.130) 16.411 2.205 ( 9.908 0.555 -3.709) 10.594 2.299 ( -2.212 -7.950 -5.704) 10.032 2.662 ( -3.387 5.465 -7.633) 9.980 2.828 ( -4.967 0.395 -1.711) 5.268 2.980 ( -1.225 15.859 14.167) 21.301 3.154 ( -1.968 -4.405 -0.148) 4.827 3.506 ( -3.397 0.820 5.607) 6.607 3.614 ( 4.302 -6.810 -12.363) 14.756 3.801 ( 2.487 -6.680 2.740) 7.636 4.011 ( -1.910 0.609 -1.935) 2.786 4.762 ( 0.455 -0.689 5.009) 5.077 4.912 ( -4.686 2.922 -3.732) 6.665 5.435 ( -4.577 -3.330 1.530) 5.863 5.517 ( -0.561 -4.693 0.499) 4.752 6.265 ( 2.108 0.116 -0.894) 2.293 6.381 ( 2.941 -1.993 -4.765) 5.944 6.655 ( -3.167 -0.872 -3.420) 4.742 6.719 ( 0.734 -5.234 -2.781) 5.972 6.793 ( 3.442 7.474 6.531) 10.506 7.012 ( -0.956 1.855 1.539) 2.593 7.231 ( -0.514 0.419 0.991) 1.192 7.338 ( -0.110 1.242 -0.108) 1.251 8.604 ( -0.152 -3.278 -0.515) 3.322 8.624 ( -0.561 -4.347 0.352) 4.397 9.044 ( 0.187 4.398 0.634) 4.447 9.065 ( 0.705 4.970 -0.739) 5.074 9.326 ( 4.357 7.770 0.270) 8.912 9.357 ( 5.513 6.005 0.064) 8.152 9.881 ( -2.542 -7.634 0.128) 8.047 9.945 ( -1.625 -7.826 0.055) 7.993 10.704 ( 1.477 2.203 0.994) 2.832 10.937 ( 1.702 7.176 -1.525) 7.532 11.208 ( 0.603 -2.672 2.641) 3.805 11.236 ( 0.992 -2.936 0.697) 3.177 11.493 ( -1.701 -3.916 0.929) 4.370 11.742 ( 2.313 8.571 -1.048) 8.939 11.960 ( -0.015 0.544 -3.515) 3.557 12.216 ( -4.418 -5.918 -3.513) 8.178 12.564 ( 1.123 0.028 2.102) 2.383 12.775 ( -4.287 -5.718 4.836) 8.629 13.224 ( -4.062 -5.653 1.108) 7.049 13.249 ( -2.453 -6.297 -1.403) 6.902 13.636 ( 1.147 5.578 3.061) 6.465 14.410 ( 1.754 7.808 -5.097) 9.488 16.524 ( 0.445 -1.499 -1.759) 2.354 16.613 ( -1.774 -0.951 1.279) 2.385 17.181 ( 3.148 -4.194 -3.732) 6.437 17.251 ( 0.681 -3.420 0.570) 3.533 17.827 ( 3.194 9.995 1.033) 10.544 17.939 ( 2.643 10.686 0.829) 11.039 18.572 ( -3.870 -10.060 15.946) 19.247 19.181 ( -0.092 -4.845 -13.726) 14.557 ======================= Grid point 347 (67/68) ======================= q-point: (-0.27 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.987 1.710 -1.973) 2.792 2.078 ( -2.653 4.595 1.435) 5.497 2.289 ( 3.066 -5.311 -5.899) 8.509 2.387 ( 0.159 -0.276 4.658) 4.669 2.697 ( -5.740 9.941 -8.422) 14.237 2.734 ( -3.868 6.700 -3.245) 8.389 3.052 ( -7.796 13.504 15.689) 22.120 3.110 ( 1.379 -2.388 1.577) 3.177 3.431 ( -1.910 3.309 -0.338) 3.836 3.619 ( 5.327 -9.227 -12.565) 16.474 3.833 ( 4.865 -8.427 2.111) 9.957 3.967 ( 1.350 -2.338 7.182) 7.673 4.795 ( 0.081 -0.140 -2.672) 2.677 4.856 ( -5.516 9.555 0.580) 11.048 5.372 ( 0.537 -0.929 5.804) 5.902 5.481 ( 3.001 -5.198 -2.773) 6.611 6.296 ( 0.612 -1.059 -0.197) 1.239 6.403 ( 1.853 -3.209 -4.707) 5.990 6.604 ( 0.422 -0.730 -4.814) 4.888 6.699 ( 2.584 -4.476 -3.852) 6.446 6.885 ( -2.688 4.655 5.719) 7.848 6.996 ( -1.587 2.748 3.531) 4.748 7.230 ( -0.451 0.782 0.394) 0.985 7.344 ( -0.697 1.206 0.406) 1.451 8.589 ( 1.394 -2.414 -0.698) 2.873 8.596 ( 1.395 -2.416 0.459) 2.827 9.070 ( -2.495 4.321 1.179) 5.127 9.091 ( -2.332 4.039 -0.979) 4.766 9.445 ( -2.211 3.829 1.024) 4.539 9.453 ( -2.166 3.751 -0.773) 4.400 9.800 ( 4.107 -7.113 0.798) 8.253 9.864 ( 4.895 -8.479 -0.667) 9.814 10.736 ( -0.859 1.488 1.345) 2.182 10.983 ( -2.691 4.660 -2.503) 5.935 11.207 ( 1.844 -3.194 1.614) 4.026 11.231 ( 1.920 -3.325 0.926) 3.950 11.456 ( 0.933 -1.616 2.827) 3.387 11.816 ( -4.279 7.412 -2.230) 8.845 12.005 ( -1.030 1.785 -0.047) 2.061 12.095 ( 1.869 -3.237 -7.188) 8.102 12.599 ( 1.664 -2.882 4.596) 5.674 12.655 ( 1.460 -2.529 2.951) 4.152 13.174 ( 0.571 -0.989 2.316) 2.582 13.188 ( 1.512 -2.619 -2.116) 3.691 13.677 ( -2.262 3.918 3.293) 5.595 14.464 ( -2.630 4.555 -5.906) 7.908 16.533 ( 0.750 -1.299 -0.194) 1.512 16.575 ( 0.141 -0.244 0.047) 0.286 17.210 ( 3.602 -6.239 -6.237) 9.529 17.221 ( 1.660 -2.876 2.570) 4.199 17.929 ( -5.000 8.661 1.589) 10.126 18.031 ( -4.834 8.372 0.565) 9.684 18.460 ( 4.817 -8.344 15.431) 18.192 19.149 ( 2.923 -5.063 -12.995) 14.249 ======================= Grid point 358 (68/68) ======================= q-point: (-0.36 0.64 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 1.786 3.094 -1.992) 4.090 2.069 ( -4.809 -8.329 -11.881) 15.286 2.295 ( 3.648 6.319 5.987) 9.439 2.346 ( 2.567 4.447 5.067) 7.214 2.804 ( 4.276 7.406 -6.104) 10.507 2.868 ( 1.409 2.441 -4.085) 4.963 3.024 ( -3.849 -6.667 0.699) 7.730 3.287 ( 7.390 12.800 9.736) 17.699 3.486 ( -2.843 -4.925 -17.173) 18.090 3.531 ( -0.910 -1.575 7.053) 7.284 3.638 ( -2.841 -4.920 3.711) 6.786 3.934 ( -3.435 -5.950 9.347) 11.600 4.806 ( 2.236 3.872 -3.531) 5.697 5.007 ( 2.458 4.257 1.001) 5.016 5.333 ( -2.255 -3.906 0.932) 4.605 5.389 ( -3.616 -6.263 1.602) 7.407 6.300 ( 1.415 2.450 -2.677) 3.895 6.357 ( -0.556 -0.963 -3.927) 4.081 6.613 ( -1.219 -2.111 -4.307) 4.949 6.634 ( -1.287 -2.230 -4.100) 4.841 6.942 ( 3.286 5.692 5.465) 8.548 7.028 ( -0.560 -0.970 3.652) 3.819 7.240 ( 0.204 0.353 0.477) 0.628 7.355 ( 0.258 0.448 0.662) 0.840 8.567 ( -0.375 -0.650 -0.966) 1.223 8.573 ( -0.561 -0.971 0.778) 1.365 9.117 ( 1.355 2.348 0.504) 2.757 9.134 ( 0.769 1.332 -0.279) 1.563 9.499 ( 4.311 7.468 1.293) 8.719 9.504 ( 5.033 8.717 -0.766) 10.095 9.711 ( -4.684 -8.113 0.976) 9.418 9.755 ( -5.488 -9.505 -0.844) 11.007 10.755 ( 1.131 1.959 2.094) 3.082 11.050 ( 1.671 2.894 -5.015) 6.026 11.160 ( -0.559 -0.969 2.008) 2.298 11.187 ( -1.193 -2.067 0.872) 2.540 11.445 ( -0.315 -0.546 4.567) 4.610 11.921 ( 4.212 7.296 -2.341) 8.744 11.981 ( 0.887 1.536 -3.442) 3.872 12.087 ( -3.572 -6.186 -2.610) 7.605 12.557 ( -0.062 -0.107 2.259) 2.262 12.624 ( -3.643 -6.310 3.327) 8.010 13.155 ( -0.481 -0.833 -0.313) 1.011 13.170 ( -1.260 -2.183 0.955) 2.695 13.719 ( 1.251 2.167 4.328) 5.000 14.509 ( 1.243 2.153 -8.129) 8.501 16.518 ( 0.560 0.970 -0.885) 1.428 16.569 ( -1.535 -2.658 0.186) 3.075 17.146 ( 0.344 0.597 -2.019) 2.134 17.191 ( -1.456 -2.521 0.404) 2.939 18.050 ( 5.964 10.329 3.369) 12.394 18.119 ( 3.177 5.503 0.476) 6.372 18.352 ( -5.959 -10.322 12.675) 17.398 19.090 ( -1.712 -2.965 -12.324) 12.791 =================== 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 3/32670 10.0 713.368 713.368 790.713 -0.000 0.000 -0.000 3/32670 20.0 113.967 113.967 130.387 -0.000 -0.000 -0.000 3/32670 30.0 52.024 52.024 58.580 -0.000 -0.000 -0.000 3/32670 40.0 31.845 31.845 35.535 -0.000 -0.000 -0.000 3/32670 50.0 22.116 22.116 24.668 -0.000 -0.000 -0.000 3/32670 60.0 16.533 16.533 18.482 -0.000 -0.000 -0.000 3/32670 70.0 12.988 12.988 14.553 -0.000 -0.000 -0.000 3/32670 80.0 10.579 10.579 11.877 -0.000 -0.000 -0.000 3/32670 90.0 8.859 8.859 9.962 -0.000 -0.000 -0.000 3/32670 100.0 7.585 7.585 8.540 -0.000 -0.000 -0.000 3/32670 110.0 6.612 6.612 7.451 -0.000 -0.000 -0.000 3/32670 120.0 5.850 5.850 6.598 -0.000 -0.000 -0.000 3/32670 130.0 5.241 5.241 5.915 -0.000 -0.000 -0.000 3/32670 140.0 4.746 4.746 5.358 -0.000 -0.000 -0.000 3/32670 150.0 4.337 4.337 4.897 -0.000 -0.000 -0.000 3/32670 160.0 3.994 3.994 4.510 -0.000 -0.000 -0.000 3/32670 170.0 3.702 3.702 4.180 -0.000 -0.000 -0.000 3/32670 180.0 3.452 3.452 3.898 -0.000 -0.000 -0.000 3/32670 190.0 3.235 3.235 3.652 -0.000 -0.000 -0.000 3/32670 200.0 3.045 3.045 3.437 -0.000 -0.000 -0.000 3/32670 210.0 2.877 2.877 3.246 -0.000 -0.000 -0.000 3/32670 220.0 2.728 2.728 3.077 -0.000 -0.000 -0.000 3/32670 230.0 2.595 2.595 2.926 -0.000 -0.000 -0.000 3/32670 240.0 2.475 2.475 2.789 -0.000 -0.000 -0.000 3/32670 250.0 2.366 2.366 2.666 -0.000 -0.000 -0.000 3/32670 260.0 2.267 2.267 2.553 -0.000 -0.000 -0.000 3/32670 270.0 2.176 2.176 2.450 -0.000 -0.000 -0.000 3/32670 280.0 2.093 2.093 2.356 -0.000 -0.000 -0.000 3/32670 290.0 2.016 2.016 2.268 -0.000 -0.000 -0.000 3/32670 300.0 1.945 1.945 2.188 -0.000 -0.000 -0.000 3/32670 310.0 1.879 1.879 2.113 -0.000 -0.000 -0.000 3/32670 320.0 1.817 1.817 2.043 -0.000 -0.000 -0.000 3/32670 330.0 1.760 1.760 1.978 -0.000 -0.000 -0.000 3/32670 340.0 1.706 1.706 1.917 -0.000 -0.000 -0.000 3/32670 350.0 1.656 1.656 1.860 -0.000 -0.000 -0.000 3/32670 360.0 1.608 1.608 1.806 -0.000 -0.000 -0.000 3/32670 370.0 1.564 1.564 1.756 -0.000 -0.000 -0.000 3/32670 380.0 1.522 1.522 1.708 -0.000 -0.000 -0.000 3/32670 390.0 1.482 1.482 1.663 -0.000 -0.000 -0.000 3/32670 400.0 1.444 1.444 1.620 -0.000 -0.000 -0.000 3/32670 410.0 1.408 1.408 1.579 -0.000 -0.000 -0.000 3/32670 420.0 1.374 1.374 1.541 -0.000 -0.000 -0.000 3/32670 430.0 1.341 1.341 1.504 -0.000 -0.000 -0.000 3/32670 440.0 1.311 1.311 1.469 -0.000 -0.000 -0.000 3/32670 450.0 1.281 1.281 1.436 -0.000 -0.000 -0.000 3/32670 460.0 1.253 1.253 1.404 -0.000 -0.000 -0.000 3/32670 470.0 1.226 1.226 1.374 -0.000 -0.000 -0.000 3/32670 480.0 1.200 1.200 1.345 -0.000 -0.000 -0.000 3/32670 490.0 1.175 1.175 1.317 -0.000 -0.000 -0.000 3/32670 500.0 1.152 1.152 1.290 -0.000 -0.000 -0.000 3/32670 510.0 1.129 1.129 1.265 -0.000 -0.000 -0.000 3/32670 520.0 1.107 1.107 1.240 -0.000 -0.000 -0.000 3/32670 530.0 1.086 1.086 1.216 -0.000 -0.000 -0.000 3/32670 540.0 1.066 1.066 1.193 -0.000 -0.000 -0.000 3/32670 550.0 1.046 1.046 1.172 -0.000 -0.000 -0.000 3/32670 560.0 1.028 1.028 1.150 -0.000 -0.000 -0.000 3/32670 570.0 1.010 1.010 1.130 -0.000 -0.000 -0.000 3/32670 580.0 0.992 0.992 1.110 -0.000 -0.000 -0.000 3/32670 590.0 0.975 0.975 1.091 -0.000 -0.000 -0.000 3/32670 600.0 0.959 0.959 1.073 -0.000 -0.000 -0.000 3/32670 610.0 0.943 0.943 1.055 -0.000 -0.000 -0.000 3/32670 620.0 0.928 0.928 1.038 -0.000 -0.000 -0.000 3/32670 630.0 0.913 0.913 1.022 -0.000 -0.000 -0.000 3/32670 640.0 0.899 0.899 1.006 -0.000 -0.000 -0.000 3/32670 650.0 0.885 0.885 0.990 -0.000 -0.000 -0.000 3/32670 660.0 0.872 0.872 0.975 -0.000 -0.000 -0.000 3/32670 670.0 0.859 0.859 0.960 -0.000 -0.000 -0.000 3/32670 680.0 0.846 0.846 0.946 -0.000 -0.000 -0.000 3/32670 690.0 0.834 0.834 0.932 -0.000 -0.000 -0.000 3/32670 700.0 0.822 0.822 0.919 -0.000 -0.000 -0.000 3/32670 710.0 0.810 0.810 0.906 -0.000 -0.000 -0.000 3/32670 720.0 0.799 0.799 0.893 -0.000 -0.000 -0.000 3/32670 730.0 0.788 0.788 0.881 -0.000 -0.000 -0.000 3/32670 740.0 0.777 0.777 0.869 -0.000 -0.000 -0.000 3/32670 750.0 0.767 0.767 0.857 -0.000 -0.000 -0.000 3/32670 760.0 0.757 0.757 0.846 -0.000 -0.000 -0.000 3/32670 770.0 0.747 0.747 0.835 -0.000 -0.000 -0.000 3/32670 780.0 0.737 0.737 0.824 -0.000 -0.000 -0.000 3/32670 790.0 0.728 0.728 0.814 -0.000 -0.000 -0.000 3/32670 800.0 0.719 0.719 0.804 -0.000 -0.000 -0.000 3/32670 810.0 0.710 0.710 0.794 -0.000 -0.000 -0.000 3/32670 820.0 0.701 0.701 0.784 -0.000 -0.000 -0.000 3/32670 830.0 0.693 0.693 0.774 -0.000 -0.000 -0.000 3/32670 840.0 0.685 0.685 0.765 -0.000 -0.000 -0.000 3/32670 850.0 0.677 0.677 0.756 -0.000 -0.000 -0.000 3/32670 860.0 0.669 0.669 0.747 -0.000 -0.000 -0.000 3/32670 870.0 0.661 0.661 0.739 -0.000 -0.000 -0.000 3/32670 880.0 0.654 0.654 0.730 -0.000 -0.000 -0.000 3/32670 890.0 0.646 0.646 0.722 -0.000 -0.000 -0.000 3/32670 900.0 0.639 0.639 0.714 -0.000 -0.000 -0.000 3/32670 910.0 0.632 0.632 0.706 -0.000 -0.000 -0.000 3/32670 920.0 0.625 0.625 0.699 -0.000 -0.000 -0.000 3/32670 930.0 0.619 0.619 0.691 -0.000 -0.000 -0.000 3/32670 940.0 0.612 0.612 0.684 -0.000 -0.000 -0.000 3/32670 950.0 0.606 0.606 0.676 -0.000 -0.000 -0.000 3/32670 960.0 0.599 0.599 0.669 -0.000 -0.000 -0.000 3/32670 970.0 0.593 0.593 0.662 -0.000 -0.000 -0.000 3/32670 980.0 0.587 0.587 0.656 -0.000 -0.000 -0.000 3/32670 990.0 0.581 0.581 0.649 -0.000 -0.000 -0.000 3/32670 1000.0 0.575 0.575 0.643 -0.000 -0.000 -0.000 3/32670 Thermal conductivity related properties were written into "kappa-m11115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:52:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|