----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:24:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.337401605000000 3.337401605000000 2.200123470000000 b 3.337401605000000 -3.337401605000000 2.200123470000000 c 3.337401605000000 3.337401605000000 -2.200123470000000 Atomic positions (fractional): *1 Li 0.41608969748397 0.81448309657733 0.23057279406130 6.941 2 Li 0.81448309657733 0.58391030251603 0.39839339909337 6.941 3 Li 0.58391030251603 0.18551690342267 0.76942720593870 6.941 4 Li 0.18551690342267 0.41608969748397 0.60160660090663 6.941 *5 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 *6 O 0.71122374166072 0.91065539902692 0.62187914068764 15.999 7 O 0.28877625833928 0.08934460097308 0.37812085931236 15.999 8 O 0.08934460097308 0.71122374166072 0.80056834263381 15.999 9 O 0.91065539902692 0.28877625833928 0.19943165736619 15.999 *10 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.674803210000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.674803210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.400246940000000 Atomic positions (fractional): *1 Li 0.31448309657733 0.91608969748397 0.50000000000000 6.941 > 1 2 Li 0.58391030251603 0.81448309657733 0.00000000000000 6.941 > 2 3 Li 0.68551690342267 0.08391030251603 0.50000000000000 6.941 > 3 4 Li 0.41608969748397 0.18551690342267 0.00000000000000 6.941 > 4 5 Li 0.81448309657733 0.41608969748397 0.00000000000000 6.941 > 1 6 Li 0.08391030251603 0.31448309657733 0.50000000000000 6.941 > 2 7 Li 0.18551690342267 0.58391030251603 0.00000000000000 6.941 > 3 8 Li 0.91608969748397 0.68551690342267 0.50000000000000 6.941 > 4 *9 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 5 10 U 0.50000000000000 0.50000000000000 0.50000000000000 238.029 > 5 *11 O 0.41065539902692 0.21122374166072 0.50000000000000 15.999 > 6 12 O 0.58934460097308 0.78877625833928 0.50000000000000 15.999 > 7 13 O 0.71122374166072 0.08934460097308 0.00000000000000 15.999 > 8 14 O 0.28877625833928 0.91065539902692 0.00000000000000 15.999 > 9 *15 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 10 16 O 0.91065539902692 0.71122374166072 0.00000000000000 15.999 > 6 17 O 0.08934460097308 0.28877625833928 0.00000000000000 15.999 > 7 18 O 0.21122374166072 0.58934460097308 0.50000000000000 15.999 > 8 19 O 0.78877625833928 0.41065539902692 0.50000000000000 15.999 > 9 20 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.674803210000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.674803210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.800493879999999 Atomic positions (fractional): *1 Li 0.31448309657733 0.91608969748397 0.25000000000000 6.941 > 1 2 Li 0.31448309657733 0.91608969748397 0.75000000000000 6.941 > 1 3 Li 0.58391030251603 0.81448309657733 0.00000000000000 6.941 > 2 4 Li 0.58391030251603 0.81448309657733 0.50000000000000 6.941 > 2 5 Li 0.68551690342267 0.08391030251603 0.25000000000000 6.941 > 3 6 Li 0.68551690342267 0.08391030251603 0.75000000000000 6.941 > 3 7 Li 0.41608969748397 0.18551690342267 0.00000000000000 6.941 > 4 8 Li 0.41608969748397 0.18551690342267 0.50000000000000 6.941 > 4 9 Li 0.81448309657733 0.41608969748397 0.00000000000000 6.941 > 1 10 Li 0.81448309657733 0.41608969748397 0.50000000000000 6.941 > 1 11 Li 0.08391030251603 0.31448309657733 0.25000000000000 6.941 > 2 12 Li 0.08391030251603 0.31448309657733 0.75000000000000 6.941 > 2 13 Li 0.18551690342267 0.58391030251603 0.00000000000000 6.941 > 3 14 Li 0.18551690342267 0.58391030251603 0.50000000000000 6.941 > 3 15 Li 0.91608969748397 0.68551690342267 0.25000000000000 6.941 > 4 16 Li 0.91608969748397 0.68551690342267 0.75000000000000 6.941 > 4 *17 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 5 18 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 5 19 U 0.50000000000000 0.50000000000000 0.25000000000000 238.029 > 5 20 U 0.50000000000000 0.50000000000000 0.75000000000000 238.029 > 5 *21 O 0.41065539902692 0.21122374166072 0.25000000000000 15.999 > 6 22 O 0.41065539902692 0.21122374166072 0.75000000000000 15.999 > 6 23 O 0.58934460097308 0.78877625833928 0.25000000000000 15.999 > 7 24 O 0.58934460097308 0.78877625833928 0.75000000000000 15.999 > 7 25 O 0.71122374166072 0.08934460097308 0.00000000000000 15.999 > 8 26 O 0.71122374166072 0.08934460097308 0.50000000000000 15.999 > 8 27 O 0.28877625833928 0.91065539902692 0.00000000000000 15.999 > 9 28 O 0.28877625833928 0.91065539902692 0.50000000000000 15.999 > 9 *29 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 10 30 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 10 31 O 0.91065539902692 0.71122374166072 0.00000000000000 15.999 > 6 32 O 0.91065539902692 0.71122374166072 0.50000000000000 15.999 > 6 33 O 0.08934460097308 0.28877625833928 0.00000000000000 15.999 > 7 34 O 0.08934460097308 0.28877625833928 0.50000000000000 15.999 > 7 35 O 0.21122374166072 0.58934460097308 0.25000000000000 15.999 > 8 36 O 0.21122374166072 0.58934460097308 0.75000000000000 15.999 > 8 37 O 0.78877625833928 0.41065539902692 0.25000000000000 15.999 > 9 38 O 0.78877625833928 0.41065539902692 0.75000000000000 15.999 > 9 39 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 10 40 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2293943 0.0000009 0.0000000 -0.0000009 4.2293943 0.0000000 0.0000000 0.0000000 4.4950418 -------------------------- Born effective charges -------------------------- 1 Li 1.0031022 -0.0940372 0.0000000 -0.1496012 1.3798181 0.0000000 0.0000000 0.0000000 1.0311207 2 Li 1.3798181 0.1496012 0.0000000 0.0940372 1.0031022 0.0000000 0.0000000 0.0000000 1.0311207 3 Li 1.0031022 -0.0940372 0.0000000 -0.1496012 1.3798181 0.0000000 0.0000000 0.0000000 1.0311207 4 Li 1.3798181 0.1496012 0.0000000 0.0940372 1.0031022 0.0000000 0.0000000 0.0000000 1.0311207 5 U 5.4807222 -0.1025121 0.0000000 0.1025121 5.4807222 0.0000000 0.0000000 0.0000000 5.8614424 6 O -1.4830550 -0.6541660 0.0000000 -0.5931650 -3.0634447 0.0000000 0.0000000 0.0000000 -1.2427961 7 O -1.4830550 -0.6541660 0.0000000 -0.5931650 -3.0634447 0.0000000 0.0000000 0.0000000 -1.2427961 8 O -3.0634447 0.5931650 0.0000000 0.6541660 -1.4830550 0.0000000 0.0000000 0.0000000 -1.2427961 9 O -3.0634447 0.5931650 0.0000000 0.6541660 -1.4830550 0.0000000 0.0000000 0.0000000 -1.2427961 10 O -1.1535633 0.1133861 0.0000000 -0.1133861 -1.1535633 0.0000000 0.0000000 0.0000000 -5.0147406 ---------------------------------------------------------------------------- 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: 120/120 Permutation basis: 2208/2208 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 267 Number of blocks in projector: 267 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 93 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 75 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (267, 252), data: False |-- (48, 48), data: True |-- (51, 47), data: True |-- (75, 70), data: True |-- (93, 87), data: True ----- Solver_atoms: 1 -- 40 / 40 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 160 - Time: 0.073 Solver_block: 160 / 160 - Time: 0.035 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.110 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 120/120 Permutation basis: 2208/2208 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 267 Number of blocks in projector: 267 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 93 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 75 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (267, 252), data: False |-- (48, 48), data: True |-- (51, 47), data: True |-- (75, 70), data: True |-- (93, 87), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:24:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:24:52]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.337401605000000 3.337401605000000 2.200123470000000 b 3.337401605000000 -3.337401605000000 2.200123470000000 c 3.337401605000000 3.337401605000000 -2.200123470000000 Atomic positions (fractional): 1 Li 0.41608969748397 0.81448309657733 0.23057279406130 6.941 2 Li 0.81448309657733 0.58391030251603 0.39839339909337 6.941 3 Li 0.58391030251603 0.18551690342267 0.76942720593870 6.941 4 Li 0.18551690342267 0.41608969748397 0.60160660090663 6.941 5 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 6 O 0.71122374166072 0.91065539902692 0.62187914068764 15.999 7 O 0.28877625833928 0.08934460097308 0.37812085931236 15.999 8 O 0.08934460097308 0.71122374166072 0.80056834263381 15.999 9 O 0.91065539902692 0.28877625833928 0.19943165736619 15.999 10 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.674803210000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.674803210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.800493879999999 Atomic positions (fractional): 1 Li 0.31448309657733 0.91608969748397 0.25000000000000 6.941 > 1 2 Li 0.31448309657733 0.91608969748397 0.75000000000000 6.941 > 1 3 Li 0.58391030251603 0.81448309657733 0.00000000000000 6.941 > 3 4 Li 0.58391030251603 0.81448309657733 0.50000000000000 6.941 > 3 5 Li 0.68551690342267 0.08391030251603 0.25000000000000 6.941 > 5 6 Li 0.68551690342267 0.08391030251603 0.75000000000000 6.941 > 5 7 Li 0.41608969748397 0.18551690342267 0.00000000000000 6.941 > 7 8 Li 0.41608969748397 0.18551690342267 0.50000000000000 6.941 > 7 9 Li 0.81448309657733 0.41608969748397 0.00000000000000 6.941 > 1 10 Li 0.81448309657733 0.41608969748397 0.50000000000000 6.941 > 1 11 Li 0.08391030251603 0.31448309657733 0.25000000000000 6.941 > 3 12 Li 0.08391030251603 0.31448309657733 0.75000000000000 6.941 > 3 13 Li 0.18551690342267 0.58391030251603 0.00000000000000 6.941 > 5 14 Li 0.18551690342267 0.58391030251603 0.50000000000000 6.941 > 5 15 Li 0.91608969748397 0.68551690342267 0.25000000000000 6.941 > 7 16 Li 0.91608969748397 0.68551690342267 0.75000000000000 6.941 > 7 17 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 17 18 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 17 19 U 0.50000000000000 0.50000000000000 0.25000000000000 238.029 > 17 20 U 0.50000000000000 0.50000000000000 0.75000000000000 238.029 > 17 21 O 0.41065539902692 0.21122374166072 0.25000000000000 15.999 > 21 22 O 0.41065539902692 0.21122374166072 0.75000000000000 15.999 > 21 23 O 0.58934460097308 0.78877625833928 0.25000000000000 15.999 > 23 24 O 0.58934460097308 0.78877625833928 0.75000000000000 15.999 > 23 25 O 0.71122374166072 0.08934460097308 0.00000000000000 15.999 > 25 26 O 0.71122374166072 0.08934460097308 0.50000000000000 15.999 > 25 27 O 0.28877625833928 0.91065539902692 0.00000000000000 15.999 > 27 28 O 0.28877625833928 0.91065539902692 0.50000000000000 15.999 > 27 29 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 29 30 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 29 31 O 0.91065539902692 0.71122374166072 0.00000000000000 15.999 > 21 32 O 0.91065539902692 0.71122374166072 0.50000000000000 15.999 > 21 33 O 0.08934460097308 0.28877625833928 0.00000000000000 15.999 > 23 34 O 0.08934460097308 0.28877625833928 0.50000000000000 15.999 > 23 35 O 0.21122374166072 0.58934460097308 0.25000000000000 15.999 > 25 36 O 0.21122374166072 0.58934460097308 0.75000000000000 15.999 > 25 37 O 0.78877625833928 0.41065539902692 0.25000000000000 15.999 > 27 38 O 0.78877625833928 0.41065539902692 0.75000000000000 15.999 > 27 39 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 29 40 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 29 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2293943 0.0000009 0.0000000 -0.0000009 4.2293943 0.0000000 0.0000000 0.0000000 4.4950418 -------------------------- Born effective charges -------------------------- 1 Li 1.0031022 -0.0940372 0.0000000 -0.1496012 1.3798181 0.0000000 0.0000000 0.0000000 1.0311207 2 Li 1.3798181 0.1496012 0.0000000 0.0940372 1.0031022 0.0000000 0.0000000 0.0000000 1.0311207 3 Li 1.0031022 -0.0940372 0.0000000 -0.1496012 1.3798181 0.0000000 0.0000000 0.0000000 1.0311207 4 Li 1.3798181 0.1496012 0.0000000 0.0940372 1.0031022 0.0000000 0.0000000 0.0000000 1.0311207 5 U 5.4807222 -0.1025121 0.0000000 0.1025121 5.4807222 0.0000000 0.0000000 0.0000000 5.8614424 6 O -1.4830550 -0.6541660 0.0000000 -0.5931650 -3.0634447 0.0000000 0.0000000 0.0000000 -1.2427961 7 O -1.4830550 -0.6541660 0.0000000 -0.5931650 -3.0634447 0.0000000 0.0000000 0.0000000 -1.2427961 8 O -3.0634447 0.5931650 0.0000000 0.6541660 -1.4830550 0.0000000 0.0000000 0.0000000 -1.2427961 9 O -3.0634447 0.5931650 0.0000000 0.6541660 -1.4830550 0.0000000 0.0000000 0.0000000 -1.2427961 10 O -1.1535633 0.1133861 0.0000000 -0.1133861 -1.1535633 0.0000000 0.0000000 0.0000000 -5.0147406 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000051 (xxx) -0.00000051 (xxx) -0.00000051 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:24:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:24:55]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.337401605000000 3.337401605000000 2.200123470000000 b 3.337401605000000 -3.337401605000000 2.200123470000000 c 3.337401605000000 3.337401605000000 -2.200123470000000 Atomic positions (fractional): 1 Li 0.41608969748397 0.81448309657733 0.23057279406130 6.941 2 Li 0.81448309657733 0.58391030251603 0.39839339909337 6.941 3 Li 0.58391030251603 0.18551690342267 0.76942720593870 6.941 4 Li 0.18551690342267 0.41608969748397 0.60160660090663 6.941 5 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 6 O 0.71122374166072 0.91065539902692 0.62187914068764 15.999 7 O 0.28877625833928 0.08934460097308 0.37812085931236 15.999 8 O 0.08934460097308 0.71122374166072 0.80056834263381 15.999 9 O 0.91065539902692 0.28877625833928 0.19943165736619 15.999 10 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.674803210000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.674803210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.800493879999999 Atomic positions (fractional): 1 Li 0.31448309657733 0.91608969748397 0.25000000000000 6.941 > 1 2 Li 0.31448309657733 0.91608969748397 0.75000000000000 6.941 > 1 3 Li 0.58391030251603 0.81448309657733 0.00000000000000 6.941 > 3 4 Li 0.58391030251603 0.81448309657733 0.50000000000000 6.941 > 3 5 Li 0.68551690342267 0.08391030251603 0.25000000000000 6.941 > 5 6 Li 0.68551690342267 0.08391030251603 0.75000000000000 6.941 > 5 7 Li 0.41608969748397 0.18551690342267 0.00000000000000 6.941 > 7 8 Li 0.41608969748397 0.18551690342267 0.50000000000000 6.941 > 7 9 Li 0.81448309657733 0.41608969748397 0.00000000000000 6.941 > 1 10 Li 0.81448309657733 0.41608969748397 0.50000000000000 6.941 > 1 11 Li 0.08391030251603 0.31448309657733 0.25000000000000 6.941 > 3 12 Li 0.08391030251603 0.31448309657733 0.75000000000000 6.941 > 3 13 Li 0.18551690342267 0.58391030251603 0.00000000000000 6.941 > 5 14 Li 0.18551690342267 0.58391030251603 0.50000000000000 6.941 > 5 15 Li 0.91608969748397 0.68551690342267 0.25000000000000 6.941 > 7 16 Li 0.91608969748397 0.68551690342267 0.75000000000000 6.941 > 7 17 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 17 18 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 17 19 U 0.50000000000000 0.50000000000000 0.25000000000000 238.029 > 17 20 U 0.50000000000000 0.50000000000000 0.75000000000000 238.029 > 17 21 O 0.41065539902692 0.21122374166072 0.25000000000000 15.999 > 21 22 O 0.41065539902692 0.21122374166072 0.75000000000000 15.999 > 21 23 O 0.58934460097308 0.78877625833928 0.25000000000000 15.999 > 23 24 O 0.58934460097308 0.78877625833928 0.75000000000000 15.999 > 23 25 O 0.71122374166072 0.08934460097308 0.00000000000000 15.999 > 25 26 O 0.71122374166072 0.08934460097308 0.50000000000000 15.999 > 25 27 O 0.28877625833928 0.91065539902692 0.00000000000000 15.999 > 27 28 O 0.28877625833928 0.91065539902692 0.50000000000000 15.999 > 27 29 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 29 30 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 29 31 O 0.91065539902692 0.71122374166072 0.00000000000000 15.999 > 21 32 O 0.91065539902692 0.71122374166072 0.50000000000000 15.999 > 21 33 O 0.08934460097308 0.28877625833928 0.00000000000000 15.999 > 23 34 O 0.08934460097308 0.28877625833928 0.50000000000000 15.999 > 23 35 O 0.21122374166072 0.58934460097308 0.25000000000000 15.999 > 25 36 O 0.21122374166072 0.58934460097308 0.75000000000000 15.999 > 25 37 O 0.78877625833928 0.41065539902692 0.25000000000000 15.999 > 27 38 O 0.78877625833928 0.41065539902692 0.75000000000000 15.999 > 27 39 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 29 40 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 29 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2293943 0.0000009 0.0000000 -0.0000009 4.2293943 0.0000000 0.0000000 0.0000000 4.4950418 -------------------------- Born effective charges -------------------------- 1 Li 1.0031022 -0.0940372 0.0000000 -0.1496012 1.3798181 0.0000000 0.0000000 0.0000000 1.0311207 2 Li 1.3798181 0.1496012 0.0000000 0.0940372 1.0031022 0.0000000 0.0000000 0.0000000 1.0311207 3 Li 1.0031022 -0.0940372 0.0000000 -0.1496012 1.3798181 0.0000000 0.0000000 0.0000000 1.0311207 4 Li 1.3798181 0.1496012 0.0000000 0.0940372 1.0031022 0.0000000 0.0000000 0.0000000 1.0311207 5 U 5.4807222 -0.1025121 0.0000000 0.1025121 5.4807222 0.0000000 0.0000000 0.0000000 5.8614424 6 O -1.4830550 -0.6541660 0.0000000 -0.5931650 -3.0634447 0.0000000 0.0000000 0.0000000 -1.2427961 7 O -1.4830550 -0.6541660 0.0000000 -0.5931650 -3.0634447 0.0000000 0.0000000 0.0000000 -1.2427961 8 O -3.0634447 0.5931650 0.0000000 0.6541660 -1.4830550 0.0000000 0.0000000 0.0000000 -1.2427961 9 O -3.0634447 0.5931650 0.0000000 0.6541660 -1.4830550 0.0000000 0.0000000 0.0000000 -1.2427961 10 O -1.1535633 0.1133861 0.0000000 -0.1133861 -1.1535633 0.0000000 0.0000000 0.0000000 -5.0147406 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000051 (xxx) -0.00000051 (xxx) -0.00000051 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... Generalized regular grid: [ 1 7 154 ] Grid generation matrix: [ 0 7 7 ] [ -7 0 -7 ] [ -11 -11 0 ] 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: 0.90, Number of G-points: 303, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/156) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 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 5.945 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 6.296 ( 0.000 0.000 0.000) 0.000 6.296 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 7.408 ( 0.000 0.000 0.000) 0.000 8.189 ( 0.000 0.000 0.000) 0.000 8.189 ( 0.000 0.000 0.000) 0.000 8.457 ( 0.000 0.000 0.000) 0.000 9.468 ( 0.000 0.000 0.000) 0.000 9.468 ( 0.000 0.000 0.000) 0.000 10.387 ( 0.000 0.000 0.000) 0.000 10.387 ( 0.000 0.000 0.000) 0.000 10.430 ( 0.000 0.000 0.000) 0.000 11.289 ( 0.000 0.000 0.000) 0.000 11.868 ( 0.000 0.000 0.000) 0.000 12.457 ( 0.000 0.000 0.000) 0.000 12.706 ( 0.000 0.000 0.000) 0.000 12.706 ( 0.000 0.000 0.000) 0.000 13.365 ( 0.000 0.000 0.000) 0.000 14.703 ( 0.000 0.000 0.000) 0.000 16.026 ( 0.000 0.000 0.000) 0.000 17.777 ( 0.000 0.000 0.000) 0.000 17.777 ( 0.000 0.000 0.000) 0.000 21.284 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/156) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -1.970 29.758 0.000) 29.823 0.975 ( 22.031 21.695 -0.000) 30.920 1.460 ( 36.930 26.326 -0.000) 45.352 5.679 ( -8.448 -9.759 -0.000) 12.908 5.909 ( -1.618 -1.493 0.000) 2.201 6.225 ( -2.816 -2.956 -0.000) 4.083 6.301 ( 0.118 0.221 0.000) 0.251 6.702 ( 1.865 -1.950 -0.000) 2.698 6.867 ( 2.337 2.360 0.000) 3.321 7.099 ( 7.797 12.341 0.000) 14.598 7.385 ( -0.869 -0.725 0.000) 1.132 8.067 ( -9.158 -1.733 0.000) 9.321 8.404 ( 1.181 -6.622 -0.000) 6.727 9.056 ( -12.528 -6.227 0.000) 13.990 9.366 ( -2.815 -3.038 -0.000) 4.142 10.029 ( -12.702 -13.772 -0.000) 18.735 10.035 ( -7.909 -6.021 0.000) 9.940 10.402 ( 0.240 1.088 0.000) 1.115 10.799 ( 8.183 9.153 0.000) 12.278 11.543 ( 8.545 8.615 0.000) 12.134 11.826 ( -4.611 1.336 0.000) 4.801 12.372 ( -4.505 -4.000 0.000) 6.024 12.809 ( 14.528 -5.761 -0.000) 15.628 13.223 ( -5.215 -6.563 -0.000) 8.383 13.947 ( -11.460 0.102 0.000) 11.460 14.721 ( 0.763 0.743 -0.000) 1.065 16.243 ( 6.386 10.191 0.000) 12.027 17.830 ( 0.947 3.622 0.000) 3.744 21.313 ( 1.287 1.856 0.000) 2.258 22.712 ( 0.898 -6.261 -0.000) 6.326 ======================= Grid point 2 (3/156) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.267 25.055 0.000) 25.056 1.822 ( 17.435 16.511 -0.000) 24.012 2.609 ( 23.888 18.345 -0.000) 30.119 5.392 ( -1.280 -5.633 -0.000) 5.776 5.829 ( -2.356 -1.584 0.000) 2.839 6.086 ( -3.078 -3.476 -0.000) 4.643 6.306 ( 0.020 0.092 0.000) 0.094 6.742 ( 6.731 -1.981 -0.000) 7.016 6.950 ( 0.926 1.080 0.000) 1.423 7.383 ( 0.853 1.519 0.000) 1.742 7.470 ( -0.546 11.732 0.000) 11.744 7.754 ( -9.782 -6.395 0.000) 11.687 8.193 ( -8.369 -6.290 0.000) 10.470 8.562 ( -9.055 -13.031 -0.000) 15.868 9.289 ( -0.439 -0.625 -0.000) 0.763 9.436 ( -12.279 -14.284 -0.000) 18.837 9.838 ( -4.673 0.192 0.000) 4.677 10.435 ( 0.274 1.244 0.000) 1.274 11.067 ( -0.793 5.917 0.000) 5.970 11.780 ( -1.647 2.304 0.000) 2.832 11.875 ( 6.219 6.487 0.000) 8.987 12.136 ( -0.933 -9.783 -0.000) 9.827 12.950 ( -2.336 -9.582 -0.000) 9.863 13.010 ( 12.650 -4.706 -0.000) 13.496 13.697 ( -14.787 4.407 0.000) 15.430 14.759 ( 0.965 0.882 -0.000) 1.307 16.562 ( 0.806 9.745 0.000) 9.779 17.958 ( 3.783 3.313 -0.000) 5.029 21.434 ( 2.425 5.682 0.000) 6.178 22.549 ( 0.727 -10.156 -0.000) 10.182 ======================= Grid point 3 (4/156) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.469 10.204 0.000) 10.215 2.350 ( 7.099 6.471 -0.000) 9.606 3.221 ( 7.797 6.727 -0.000) 10.298 5.373 ( 3.007 -0.341 -0.000) 3.026 5.762 ( -1.318 -0.488 0.000) 1.405 5.974 ( -1.344 -1.794 -0.000) 2.242 6.307 ( -0.020 -0.007 0.000) 0.021 6.884 ( 7.837 -1.360 -0.000) 7.954 6.955 ( -0.337 -0.188 0.000) 0.386 7.250 ( -10.905 -5.468 0.000) 12.199 7.469 ( 1.553 2.129 0.000) 2.635 7.733 ( -3.601 4.861 0.000) 6.049 7.948 ( -5.792 5.490 0.000) 7.980 8.195 ( 0.177 -13.415 -0.000) 13.416 8.993 ( -5.496 -6.774 -0.000) 8.723 9.307 ( 1.156 0.373 -0.000) 1.215 9.808 ( -1.041 1.353 0.000) 1.707 10.459 ( 0.114 0.518 0.000) 0.531 11.021 ( -4.993 0.012 0.000) 4.993 11.851 ( 1.170 2.178 0.000) 2.473 12.003 ( 1.728 -3.629 -0.000) 4.020 12.062 ( 2.154 2.324 0.000) 3.168 12.747 ( -0.596 -5.152 -0.000) 5.187 13.106 ( 4.254 -3.076 -0.000) 5.250 13.557 ( -6.189 3.710 0.000) 7.215 14.790 ( 0.434 0.377 -0.000) 0.575 16.675 ( -1.805 3.215 0.000) 3.687 18.094 ( 2.737 1.461 -0.000) 3.103 21.617 ( 1.502 5.251 0.000) 5.461 22.352 ( 0.000 -6.905 -0.000) 6.905 ======================= Grid point 7 (5/156) ======================= q-point: ( 0.28 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -9.012 -7.427 10.600) 15.771 2.166 ( 9.169 12.325 17.845) 23.547 3.693 ( -1.170 5.460 32.555) 33.031 5.508 ( 3.240 -3.369 -9.137) 10.263 5.576 ( -2.869 2.623 -11.594) 12.228 5.982 ( -3.776 -1.247 1.010) 4.103 6.669 ( -2.778 -9.496 3.400) 10.462 6.898 ( 2.827 -4.786 6.359) 8.446 6.935 ( 1.246 -8.702 6.118) 10.710 7.308 ( 2.629 5.352 0.868) 6.026 7.743 ( 8.549 -9.638 -6.298) 14.340 7.886 ( -4.988 7.650 4.676) 10.260 8.423 ( -12.778 0.127 3.506) 13.251 8.836 ( 6.951 -3.792 -11.287) 13.788 9.046 ( -0.368 -4.185 -5.471) 6.898 9.533 ( -0.042 7.755 -4.818) 9.130 9.762 ( 8.343 -8.651 -2.979) 12.382 10.298 ( -14.238 -8.253 1.720) 16.547 10.741 ( 11.904 11.786 -10.337) 19.685 11.060 ( -2.638 12.309 -3.136) 12.973 12.026 ( 0.757 -6.702 3.412) 7.559 12.276 ( -2.469 -6.095 -1.603) 6.769 12.763 ( 7.209 -2.905 -0.048) 7.772 12.914 ( -8.275 3.155 -1.625) 9.004 13.611 ( 2.573 -3.258 7.034) 8.167 16.513 ( -11.376 -21.871 12.938) 27.841 17.165 ( 14.301 -1.734 24.651) 28.552 18.245 ( -1.266 6.523 6.709) 9.443 20.293 ( -2.039 11.496 -25.795) 28.314 22.588 ( -0.594 5.051 6.374) 8.154 ======================= Grid point 8 (6/156) ======================= q-point: ( 0.28 -0.01 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 5.487 13.205 -7.485) 16.140 2.490 ( -2.607 10.639 8.718) 13.999 3.721 ( -1.533 -0.711 25.124) 25.181 5.433 ( -1.140 -2.580 -2.165) 3.556 5.620 ( 2.618 -0.566 -11.058) 11.378 5.894 ( -5.930 2.752 -1.359) 6.677 6.483 ( 1.687 -2.032 5.910) 6.473 6.797 ( -2.190 -4.054 8.715) 9.858 6.886 ( 3.441 -4.033 3.497) 6.351 7.430 ( -2.932 5.309 0.586) 6.094 7.720 ( 9.303 -8.921 -6.718) 14.535 7.931 ( -9.891 3.615 -0.349) 10.536 8.152 ( -3.625 -2.129 8.003) 9.040 8.831 ( -2.846 -6.160 -0.641) 6.816 8.933 ( -3.425 2.491 -8.935) 9.887 9.531 ( -1.386 -4.041 3.231) 5.356 9.718 ( 6.542 -11.631 -5.064) 14.273 10.072 ( 3.460 -1.805 6.740) 7.788 11.200 ( 11.619 5.679 -13.999) 19.058 11.287 ( 2.545 8.376 -1.891) 8.956 11.767 ( -4.507 -11.647 3.794) 13.052 12.173 ( -3.295 3.416 -3.938) 6.167 12.646 ( -2.014 -7.336 2.651) 8.056 13.023 ( 5.183 2.978 -1.584) 6.184 13.564 ( -3.875 0.671 2.779) 4.816 15.898 ( -12.348 -8.759 15.896) 21.952 17.327 ( -6.327 7.375 14.112) 17.134 18.414 ( 4.087 5.397 9.668) 11.803 20.462 ( 8.010 -1.402 -21.853) 23.317 22.660 ( 1.608 0.470 6.962) 7.160 ======================= Grid point 9 (7/156) ======================= q-point: ( 0.28 -0.01 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 0.938 13.672 -5.941) 14.937 2.548 ( -5.827 4.963 -7.596) 10.784 3.635 ( -4.682 1.307 22.190) 22.716 5.423 ( -1.001 1.999 -4.479) 5.006 5.556 ( 0.277 -4.862 -3.184) 5.819 5.966 ( 2.462 7.947 -1.168) 8.401 6.582 ( -4.158 -0.186 -4.318) 5.997 6.634 ( 1.549 -0.861 12.139) 12.268 6.892 ( 3.820 -3.908 5.335) 7.637 7.427 ( -1.362 1.561 -0.083) 2.074 7.542 ( -14.464 -7.430 3.750) 16.687 7.800 ( 6.717 -0.013 -5.890) 8.934 8.229 ( 6.786 0.714 1.651) 7.020 8.653 ( -6.368 -0.422 4.748) 7.955 8.800 ( -8.570 0.145 -0.069) 8.571 9.571 ( 7.140 1.536 -5.226) 8.981 9.691 ( 7.875 -7.835 5.234) 12.280 10.087 ( 5.602 -6.168 11.267) 14.013 11.299 ( 0.416 -12.752 -0.660) 12.776 11.398 ( 5.737 -6.539 -14.465) 16.879 11.631 ( 5.117 3.624 1.595) 6.470 12.251 ( -3.877 7.620 -5.308) 10.064 12.545 ( 5.080 -1.529 4.078) 6.692 13.013 ( -5.867 -3.756 0.593) 6.991 13.563 ( -3.187 5.899 -1.832) 6.951 15.650 ( -9.192 7.017 16.479) 20.132 17.236 ( -14.344 6.449 5.848) 16.779 18.585 ( 2.236 2.849 13.256) 13.742 20.580 ( 11.877 -7.790 -20.039) 24.562 22.692 ( 2.850 -1.472 7.920) 8.545 ======================= Grid point 10 (8/156) ======================= q-point: ( 0.28 -0.01 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -9.283 2.711 4.404) 10.626 2.416 ( -11.870 -0.904 -14.421) 18.699 3.678 ( -0.220 6.673 22.087) 23.074 5.349 ( -1.677 -1.622 -4.842) 5.374 5.646 ( 4.624 3.319 -3.541) 6.704 6.240 ( 1.529 9.021 -5.243) 10.546 6.339 ( -4.801 -4.205 2.677) 6.921 6.654 ( -1.525 -1.333 7.091) 7.375 6.825 ( 2.041 -8.265 5.204) 9.977 7.231 ( -2.182 -1.297 1.492) 2.945 7.554 ( 1.875 5.842 2.065) 6.474 7.973 ( 7.254 1.084 -4.778) 8.754 8.424 ( 6.408 2.057 5.715) 8.829 8.564 ( 0.024 3.123 -0.460) 3.157 8.674 ( -9.045 5.755 1.627) 10.843 9.621 ( 2.117 -7.831 -4.403) 9.230 9.735 ( 8.005 -6.573 9.776) 14.243 10.124 ( 5.634 0.074 8.433) 10.142 11.005 ( 3.100 -13.589 0.783) 13.960 11.398 ( 4.558 -5.249 -16.209) 17.637 11.743 ( 1.916 -0.589 0.082) 2.006 12.320 ( 0.392 4.582 -0.904) 4.687 12.727 ( -10.949 -3.677 -4.529) 12.406 12.794 ( 11.168 4.602 3.689) 12.629 13.566 ( -6.743 3.193 -0.667) 7.490 15.785 ( -1.830 15.768 17.518) 23.640 17.055 ( -12.301 4.464 6.872) 14.781 18.602 ( -2.676 -0.870 12.123) 12.445 20.618 ( 8.908 -9.733 -19.357) 23.426 22.718 ( 2.392 -1.762 6.713) 7.341 ======================= Grid point 11 (9/156) ======================= q-point: ( 0.28 -0.01 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -5.282 -12.427 -1.384) 13.574 2.190 ( -15.431 11.667 8.298) 21.050 3.774 ( -0.121 0.677 24.858) 24.868 5.364 ( 2.828 1.714 -5.898) 6.762 5.708 ( -0.929 -2.817 -8.847) 9.331 6.098 ( -6.851 -0.375 -2.681) 7.366 6.520 ( 8.922 -0.794 2.207) 9.225 6.689 ( 3.025 5.052 9.337) 11.039 6.762 ( 4.542 -0.685 5.549) 7.204 7.297 ( 0.686 4.815 -0.506) 4.890 7.576 ( -1.136 -1.646 0.909) 2.197 8.069 ( 1.350 -2.973 0.546) 3.311 8.541 ( 5.636 -0.825 8.328) 10.090 8.641 ( -6.160 8.193 -6.807) 12.305 8.889 ( 6.458 9.454 -6.136) 12.990 9.464 ( 7.183 -9.475 1.351) 11.967 9.709 ( -0.378 -2.558 2.654) 3.705 10.263 ( 8.405 -2.764 2.544) 9.206 10.847 ( -3.118 -3.295 -6.123) 7.620 11.333 ( -3.986 -3.682 -7.762) 9.471 11.797 ( 5.118 2.177 -1.103) 5.670 12.368 ( -4.025 -2.799 1.501) 5.128 12.558 ( 1.599 4.344 -5.411) 7.121 13.059 ( 8.667 -5.222 -0.068) 10.119 13.483 ( -5.499 6.156 4.331) 9.322 16.181 ( 11.839 8.611 15.859) 21.583 16.952 ( -9.377 9.729 15.861) 20.836 18.452 ( -6.065 -3.565 9.456) 11.786 20.532 ( 1.125 -8.684 -21.256) 22.990 22.695 ( -0.883 -2.390 5.208) 5.798 ======================= Grid point 13 (10/156) ======================= q-point: ( 0.28 -0.01 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 16.051 5.110 20.283) 26.366 1.906 ( -13.458 -7.701 19.179) 24.663 3.611 ( -5.839 6.785 36.675) 37.752 5.491 ( 1.294 -1.899 -11.277) 11.508 5.594 ( -3.378 3.370 -13.437) 14.259 6.020 ( 6.387 -3.388 4.138) 8.330 6.778 ( 5.341 -2.818 3.935) 7.207 6.969 ( 0.779 -6.453 4.774) 8.065 7.061 ( 3.584 1.249 -0.006) 3.796 7.234 ( 1.533 -6.048 1.896) 6.521 7.723 ( 1.730 -2.033 1.680) 3.154 7.972 ( -2.934 -4.609 -0.585) 5.495 8.358 ( 8.987 6.790 -3.560) 11.813 8.990 ( 1.156 -11.999 -3.862) 12.658 9.009 ( 0.579 2.349 -7.061) 7.464 9.354 ( -10.275 11.295 -7.088) 16.835 9.999 ( -2.635 -14.042 -5.196) 15.203 10.215 ( 9.110 14.069 -10.275) 19.660 10.743 ( -10.560 -5.890 2.148) 12.281 10.869 ( -3.397 12.090 -3.334) 12.993 12.058 ( 1.623 -1.487 3.318) 3.981 12.415 ( 4.418 -3.897 -2.192) 6.285 12.718 ( 2.329 -6.034 0.190) 6.471 12.945 ( -1.922 6.937 0.210) 7.201 13.639 ( 1.965 -3.965 7.486) 8.696 16.762 ( 15.397 -2.508 21.656) 26.689 17.219 ( 11.520 -27.069 12.041) 31.787 18.188 ( -4.333 5.406 10.776) 12.811 20.123 ( -15.384 17.253 -28.407) 36.623 22.519 ( -4.415 4.787 7.838) 10.191 ======================= Grid point 14 (11/156) ======================= q-point: (-0.44 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 3.985 12.703 -1.510) 13.399 2.813 ( -3.217 -3.154 -4.660) 6.482 4.563 ( 1.012 2.849 -9.235) 9.718 5.076 ( -1.866 0.987 5.690) 6.069 5.364 ( 1.557 -2.843 2.042) 3.832 6.080 ( 1.681 0.698 -1.998) 2.703 6.546 ( -0.596 5.567 1.255) 5.738 6.947 ( 0.039 -0.184 0.869) 0.889 7.064 ( -1.970 3.167 -3.688) 5.245 7.380 ( -2.418 -0.206 0.786) 2.551 7.583 ( 2.041 -6.014 -2.506) 6.827 7.894 ( 0.413 4.026 4.864) 6.327 8.449 ( -2.014 -3.725 2.930) 5.149 8.711 ( 10.824 2.283 -6.311) 12.736 8.828 ( -5.443 -3.611 3.788) 7.551 9.345 ( -2.864 2.154 2.858) 4.584 9.813 ( 1.859 -1.094 -2.741) 3.488 10.202 ( 0.411 7.337 0.085) 7.349 10.463 ( -2.340 -8.551 6.707) 11.117 11.253 ( 0.398 -10.710 1.476) 10.818 11.789 ( -0.961 11.273 0.080) 11.314 12.374 ( 4.165 0.804 -4.021) 5.845 12.598 ( -7.200 -0.959 4.266) 8.423 12.908 ( 4.512 1.165 -0.307) 4.671 13.764 ( -1.086 2.339 -2.378) 3.508 16.470 ( 2.224 9.379 -2.612) 9.987 18.039 ( -5.148 -1.715 -10.453) 11.777 18.558 ( 2.350 -2.051 -2.447) 3.964 19.657 ( 1.010 -4.308 9.481) 10.463 22.816 ( 0.076 -1.326 -1.283) 1.847 ======================= Grid point 15 (12/156) ======================= q-point: (-0.44 -0.01 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 8.821 25.423 -4.991) 27.369 2.440 ( -20.452 -4.960 -10.290) 23.425 4.595 ( -5.007 4.613 -6.883) 9.681 5.129 ( 3.423 1.410 1.366) 3.946 5.319 ( 1.493 -4.734 3.315) 5.969 6.140 ( -3.124 3.760 -3.810) 6.198 6.715 ( 1.078 8.713 3.823) 9.575 6.892 ( -4.092 -0.952 2.675) 4.981 7.074 ( -3.119 2.591 -2.486) 4.757 7.313 ( 1.889 -3.524 -2.166) 4.547 7.538 ( 3.571 -0.426 0.003) 3.596 8.036 ( -1.182 3.158 9.747) 10.313 8.213 ( -1.046 -9.068 -1.382) 9.232 8.637 ( -9.265 3.029 3.976) 10.528 8.888 ( 2.018 0.214 -1.203) 2.359 9.565 ( 16.734 1.797 2.545) 17.021 9.684 ( -0.940 -3.031 -3.044) 4.397 10.102 ( -0.634 -19.883 6.687) 20.987 10.601 ( 10.070 9.672 2.139) 14.126 10.994 ( -2.336 -10.469 2.201) 10.949 11.988 ( -2.009 7.590 1.679) 8.028 12.341 ( -0.379 -6.976 3.189) 7.680 12.562 ( -0.975 9.779 -1.540) 9.948 13.027 ( 1.482 -2.574 0.521) 3.016 13.772 ( -5.841 7.085 -3.947) 9.994 16.815 ( -8.089 24.310 1.412) 25.660 17.565 ( -20.479 -1.068 -13.359) 24.474 18.858 ( 17.887 -3.411 -12.878) 22.303 19.505 ( 5.033 -14.123 16.590) 22.361 22.792 ( 2.651 -3.409 -1.044) 4.443 ======================= Grid point 16 (13/156) ======================= q-point: (-0.44 -0.01 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -26.538 -2.542 -10.537) 28.666 2.617 ( 5.004 14.372 -5.015) 16.023 4.582 ( -5.167 4.733 -8.311) 10.870 5.190 ( -0.750 -4.029 4.169) 5.846 5.265 ( 4.208 -0.674 1.176) 4.421 6.091 ( -5.984 3.225 -5.305) 8.623 6.732 ( -7.599 -1.662 2.323) 8.118 6.896 ( -0.084 5.174 6.088) 7.990 7.078 ( 1.146 0.798 -3.081) 3.383 7.364 ( 7.510 -1.084 -2.165) 7.891 7.622 ( -6.342 -5.000 7.420) 10.967 7.832 ( 0.374 5.125 -0.602) 5.174 8.340 ( 8.944 -0.677 6.751) 11.226 8.567 ( -4.161 5.571 -6.687) 9.647 8.847 ( -3.348 0.059 2.920) 4.443 9.654 ( -1.462 -17.897 5.960) 18.920 9.705 ( 0.350 4.448 -3.157) 5.465 10.034 ( 21.338 -0.341 1.891) 21.425 10.650 ( -6.190 -11.551 6.192) 14.494 10.964 ( 9.327 4.163 1.791) 10.370 12.003 ( -6.028 1.494 3.843) 7.303 12.297 ( 1.317 1.289 -1.605) 2.443 12.745 ( 1.938 2.894 0.263) 3.493 12.848 ( -6.171 -3.510 1.006) 7.170 13.809 ( -5.068 5.463 -3.330) 8.162 16.747 ( -25.317 8.383 -4.788) 27.095 17.657 ( 2.535 21.669 -5.789) 22.572 18.848 ( 3.602 -19.678 -12.981) 23.848 19.484 ( 13.010 -4.684 14.741) 20.211 22.791 ( 3.334 -2.644 -1.160) 4.410 ======================= Grid point 18 (14/156) ======================= q-point: (-0.44 -0.01 0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 14.544 8.170 9.529) 19.211 2.660 ( 3.017 -16.943 -2.799) 17.435 4.495 ( 1.933 -6.181 -7.344) 9.791 5.116 ( 1.282 4.922 1.489) 5.299 5.412 ( -2.066 0.886 5.623) 6.055 6.094 ( 2.597 -1.870 3.082) 4.443 6.531 ( 2.163 2.003 -3.452) 4.540 6.833 ( -3.352 -3.421 -3.596) 5.989 7.087 ( 2.970 1.100 -4.904) 5.838 7.349 ( 0.904 -0.563 -3.514) 3.672 7.591 ( -3.423 -2.718 2.479) 5.025 7.848 ( -2.730 1.131 0.129) 2.958 8.441 ( -6.830 -2.554 1.252) 7.398 8.643 ( 8.063 -6.058 5.272) 11.380 8.799 ( -3.762 -2.021 -1.258) 4.452 9.455 ( 0.401 7.393 -4.064) 8.446 9.797 ( -0.267 3.948 1.985) 4.428 10.382 ( 2.768 13.126 -7.976) 15.607 10.468 ( -9.116 4.934 7.045) 12.533 11.157 ( -13.524 -2.036 -3.547) 14.129 11.787 ( 8.156 -0.600 -0.583) 8.199 12.363 ( 1.167 -6.795 4.456) 8.209 12.631 ( 4.907 6.450 -4.873) 9.457 12.871 ( -6.643 -0.164 0.617) 6.673 13.720 ( 5.495 -6.267 -0.505) 8.351 16.428 ( 8.033 -6.340 -0.333) 10.238 17.656 ( 2.410 -22.211 -6.481) 23.262 18.933 ( 0.505 19.247 -7.374) 20.618 19.675 ( -6.467 2.808 11.952) 13.877 22.841 ( -1.743 2.561 -1.651) 3.510 ======================= Grid point 19 (15/156) ======================= q-point: ( 0.56 -0.01 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 16.809 -0.812 7.514) 18.430 2.227 ( 3.365 -18.588 3.457) 19.204 4.422 ( 5.798 -7.095 -8.186) 12.287 5.277 ( 1.512 5.390 -0.202) 5.602 5.308 ( -6.049 -1.159 4.962) 7.909 6.130 ( 5.367 -4.139 4.808) 8.310 6.585 ( 1.287 -3.018 -8.011) 8.657 6.800 ( 0.125 4.393 -1.128) 4.537 7.074 ( -0.953 -1.905 -0.681) 2.236 7.407 ( -3.094 -0.943 0.761) 3.323 7.552 ( 3.111 3.691 -4.385) 6.521 7.803 ( 5.707 -2.482 -0.155) 6.226 8.219 ( -7.041 0.990 -3.459) 7.907 8.625 ( -1.589 -4.132 6.886) 8.186 8.836 ( 5.547 2.351 -1.296) 6.162 9.487 ( 4.251 -6.321 -2.267) 7.948 9.956 ( -14.695 12.256 -9.852) 21.523 10.275 ( -8.620 9.812 10.894) 17.008 10.686 ( -9.423 6.224 -8.316) 14.024 10.960 ( -1.440 8.145 2.582) 8.666 11.877 ( 2.890 -2.545 -4.049) 5.588 12.253 ( 3.580 -5.869 1.505) 7.038 12.669 ( -7.486 -2.641 -0.047) 7.938 12.943 ( 6.645 6.584 -1.790) 9.524 13.686 ( 6.959 -9.447 1.528) 11.833 16.440 ( 14.854 -17.501 -5.707) 23.654 17.440 ( 9.480 -6.632 2.588) 11.856 19.226 ( -4.813 7.150 -18.546) 20.451 19.554 ( -11.173 8.230 20.324) 24.610 22.849 ( -3.361 3.270 -2.070) 5.126 ======================= Grid point 20 (16/156) ======================= q-point: (-0.44 -0.01 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -7.504 -20.775 2.776) 22.262 2.673 ( 16.150 2.079 3.669) 16.692 4.461 ( 6.263 -1.896 -9.575) 11.597 5.159 ( -5.484 -0.534 5.512) 7.793 5.368 ( 0.434 1.133 1.008) 1.577 6.097 ( 2.053 -5.223 -0.147) 5.615 6.522 ( -1.824 -0.527 -1.798) 2.615 6.908 ( 1.491 2.485 -1.468) 3.248 7.040 ( -0.125 0.301 -2.000) 2.026 7.382 ( 0.421 1.046 1.442) 1.831 7.614 ( 0.793 0.233 -0.183) 0.847 7.887 ( -1.486 -0.089 0.240) 1.508 8.336 ( 9.124 7.295 -6.250) 13.249 8.545 ( 0.679 -2.876 3.579) 4.642 8.930 ( 1.913 -1.788 1.697) 3.120 9.473 ( -1.057 0.058 -1.083) 1.514 9.696 ( -9.016 0.956 -4.349) 10.056 10.365 ( -9.905 0.816 -7.475) 12.436 10.532 ( -6.972 7.920 11.343) 15.492 11.225 ( -0.576 12.585 -0.701) 12.617 11.783 ( 0.936 -8.825 0.225) 8.877 12.294 ( 8.009 -4.259 -3.124) 9.594 12.549 ( -4.032 6.167 0.244) 7.372 13.024 ( -3.826 -2.976 0.795) 4.912 13.691 ( 7.334 -3.419 0.026) 8.092 16.365 ( 7.824 -9.072 -6.493) 13.626 17.734 ( 21.664 -1.053 1.720) 21.758 18.945 ( -21.315 -0.895 -7.773) 22.706 19.635 ( -1.370 6.187 9.174) 11.150 22.839 ( -2.504 1.694 -1.919) 3.581 ======================= Grid point 21 (17/156) ======================= q-point: (-0.16 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 7.296 5.863 -25.087) 26.776 1.441 ( -7.739 -12.657 -25.207) 29.248 2.623 ( 0.783 -16.206 -46.834) 49.565 5.769 ( -0.215 5.672 7.961) 9.777 5.827 ( 0.102 -0.670 14.847) 14.863 6.030 ( 0.846 1.176 1.742) 2.266 6.769 ( 2.465 4.710 -2.037) 5.693 6.892 ( -5.990 5.187 -5.949) 9.908 7.007 ( 4.903 5.131 -7.693) 10.467 7.230 ( -1.731 4.128 -3.403) 5.623 7.680 ( 1.063 10.410 -9.340) 14.026 8.050 ( -6.217 5.935 4.480) 9.693 8.407 ( 8.504 1.577 0.153) 8.651 9.032 ( -5.956 -6.299 6.360) 10.752 9.264 ( 0.405 4.174 5.850) 7.198 9.441 ( 1.369 -14.518 13.387) 19.795 10.153 ( -6.056 15.189 5.591) 17.281 10.415 ( 15.211 3.721 0.108) 15.660 10.612 ( -11.041 -8.111 -0.906) 13.730 10.897 ( 1.676 -16.272 11.660) 20.089 12.006 ( -0.165 1.309 -3.422) 3.668 12.496 ( 0.689 6.781 1.060) 6.898 12.763 ( -2.327 1.164 -3.482) 4.347 12.851 ( 2.977 -5.784 1.342) 6.642 13.517 ( -0.909 0.933 -6.556) 6.684 16.429 ( 2.520 -0.200 -16.888) 17.076 17.163 ( -3.196 46.690 -24.037) 52.611 17.976 ( -0.466 -5.050 -6.196) 8.007 20.532 ( 0.894 -22.857 32.461) 39.711 22.262 ( 0.397 -11.296 -9.031) 14.468 ======================= Grid point 23 (18/156) ======================= q-point: (-0.16 -0.02 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 5.374 1.610 -19.369) 20.165 1.645 ( 18.672 7.723 -6.917) 21.357 3.078 ( 11.472 6.886 -32.814) 35.437 5.529 ( -6.080 -5.143 1.092) 8.038 5.910 ( -0.124 3.194 11.568) 12.002 6.057 ( 3.561 -1.568 4.945) 6.292 6.559 ( -9.459 -6.569 -16.270) 19.934 6.681 ( -1.558 -5.085 1.303) 5.476 6.808 ( -11.687 8.275 -3.320) 14.700 7.232 ( 4.718 -2.156 0.224) 5.193 7.666 ( -2.254 -2.665 -1.604) 3.841 7.897 ( 2.009 2.160 -4.049) 5.010 8.469 ( -2.315 -1.621 -4.965) 5.713 8.802 ( -5.788 -11.085 4.008) 13.132 9.153 ( -4.362 -0.961 6.489) 7.878 9.669 ( -5.623 -6.616 3.053) 9.204 9.724 ( -7.285 5.589 3.078) 9.685 10.382 ( -5.645 -1.546 -2.148) 6.235 10.848 ( 6.651 9.030 4.715) 12.165 11.322 ( 13.720 5.139 12.180) 19.053 11.902 ( -5.149 -2.232 -3.459) 6.592 12.351 ( -1.502 -5.025 1.488) 5.452 12.723 ( -0.484 1.000 8.835) 8.904 13.124 ( 7.872 7.101 0.552) 10.616 13.363 ( -7.350 -5.426 -5.508) 10.667 16.040 ( -16.653 -24.454 -30.530) 42.513 16.585 ( -2.894 10.206 -10.182) 14.704 18.114 ( 7.348 0.870 -8.225) 11.064 20.935 ( 4.668 7.130 21.419) 23.053 22.537 ( 6.015 3.036 -2.133) 7.068 ======================= Grid point 24 (19/156) ======================= q-point: (-0.16 -0.02 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 7.945 4.344 -10.919) 14.185 2.331 ( 18.067 13.983 5.580) 23.518 3.260 ( -0.024 -2.064 -19.238) 19.348 5.393 ( 1.120 -1.892 1.379) 2.596 5.790 ( -4.253 -7.714 3.187) 9.367 6.165 ( 3.814 2.316 -2.708) 5.220 6.393 ( -3.460 1.480 -7.131) 8.063 6.563 ( 2.387 -4.900 10.813) 12.109 6.839 ( -5.253 9.710 -1.611) 11.156 7.271 ( -1.706 1.114 1.124) 2.327 7.489 ( -2.529 -5.239 -3.817) 6.957 8.039 ( 3.017 1.273 -7.109) 7.827 8.290 ( -6.238 -2.256 -13.177) 14.752 8.469 ( 1.664 -13.607 2.882) 14.008 8.885 ( -9.602 -6.664 9.012) 14.759 9.523 ( -0.191 1.391 -7.449) 7.580 9.806 ( -4.184 10.197 -2.305) 11.260 10.219 ( -5.783 -2.370 3.518) 7.172 11.065 ( -5.318 9.630 -2.333) 11.246 11.642 ( 5.921 3.747 9.831) 12.073 11.811 ( -0.362 1.626 3.453) 3.834 12.246 ( 2.942 -5.714 -3.350) 7.247 12.771 ( 4.366 -0.831 12.213) 12.997 13.001 ( -14.020 -4.835 -2.373) 15.019 13.425 ( 7.432 3.790 0.601) 8.365 15.404 ( -3.731 -15.650 -21.822) 27.112 16.740 ( 2.869 3.519 -6.296) 7.762 18.284 ( 5.752 0.715 -9.432) 11.071 21.113 ( -2.195 8.030 16.274) 18.279 22.610 ( 0.209 -1.202 -5.380) 5.517 ======================= Grid point 25 (20/156) ======================= q-point: (-0.16 -0.02 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 5.199 0.090 -4.681) 6.996 2.823 ( 1.415 -0.183 18.163) 18.219 3.079 ( 0.766 -3.080 -23.622) 23.835 5.488 ( 5.126 1.615 -0.430) 5.391 5.530 ( -2.263 -6.308 4.872) 8.285 6.168 ( -6.634 1.130 -5.034) 8.404 6.408 ( -1.247 2.844 -3.397) 4.603 6.593 ( 6.390 -4.566 9.061) 11.991 6.909 ( -5.062 5.830 -2.854) 8.232 7.251 ( 3.446 1.508 -2.252) 4.384 7.407 ( 1.452 -0.686 -0.945) 1.863 8.040 ( -4.733 2.267 0.398) 5.263 8.251 ( -1.612 -3.324 -6.576) 7.542 8.288 ( 7.355 -5.077 -11.875) 14.862 8.710 ( 2.567 0.190 6.758) 7.232 9.530 ( -3.510 1.580 -11.220) 11.862 9.962 ( -2.351 8.259 -6.647) 10.859 10.047 ( -6.724 0.869 11.523) 13.369 11.160 ( 0.577 7.047 -6.666) 9.717 11.711 ( -5.156 3.117 4.635) 7.601 11.872 ( -1.252 0.622 9.293) 9.398 12.215 ( 4.851 -6.475 -1.936) 8.319 12.649 ( -11.026 1.534 -1.544) 11.239 12.898 ( 8.074 -0.543 7.680) 11.156 13.562 ( 2.377 -1.209 1.774) 3.203 15.170 ( 3.448 -6.239 -15.693) 17.236 16.864 ( 8.090 -2.694 -5.302) 10.041 18.349 ( 1.037 -1.965 -9.953) 10.198 21.181 ( -6.971 6.858 16.819) 19.455 22.561 ( -1.528 -0.726 -9.022) 9.179 ======================= Grid point 27 (21/156) ======================= q-point: (-0.16 -0.02 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -2.807 -14.280 0.433) 14.559 2.398 ( -7.958 -16.726 -0.130) 18.523 3.214 ( -0.249 1.423 -19.960) 20.013 5.377 ( 0.999 -1.722 -1.830) 2.704 5.752 ( 6.972 6.381 4.645) 10.531 6.033 ( -7.804 1.694 5.596) 9.751 6.375 ( -2.236 -0.887 -7.759) 8.124 6.596 ( 2.109 -1.340 -0.744) 2.608 6.917 ( -2.577 3.666 -0.919) 4.575 7.384 ( 1.539 -3.622 0.236) 3.943 7.589 ( 15.294 2.868 -0.848) 15.583 8.031 ( -4.204 -6.489 -7.845) 11.015 8.044 ( -7.082 10.710 2.859) 13.154 8.544 ( 13.673 3.171 -7.578) 15.951 8.950 ( 9.716 6.599 6.669) 13.506 9.464 ( -3.807 2.198 -7.546) 8.733 9.935 ( -2.828 1.639 -1.337) 3.532 10.096 ( -5.036 8.203 6.258) 11.481 11.316 ( 2.494 -4.654 -5.227) 7.430 11.656 ( -3.793 8.114 1.725) 9.121 11.693 ( -7.120 -7.398 11.726) 15.586 12.181 ( 3.820 -3.315 0.353) 5.070 12.627 ( -2.590 6.922 2.698) 7.868 13.054 ( 1.682 2.359 -1.980) 3.510 13.513 ( 2.111 -5.381 4.441) 7.289 15.290 ( 9.001 5.572 -17.796) 20.707 16.943 ( 7.987 -7.354 -7.443) 13.163 18.257 ( -2.003 -4.628 -9.859) 11.074 21.099 ( -9.462 2.374 18.330) 20.765 22.538 ( -1.945 1.556 -8.341) 8.705 ======================= Grid point 28 (22/156) ======================= q-point: (-0.16 -0.02 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -7.698 -11.338 -4.302) 14.364 1.907 ( -2.295 -19.744 -15.218) 25.033 3.031 ( -7.628 -9.567 -34.474) 36.581 5.519 ( 5.682 6.996 -1.253) 9.099 5.896 ( -5.268 1.456 11.868) 13.066 5.990 ( 3.355 -0.087 8.110) 8.777 6.465 ( 4.390 11.728 -9.549) 15.748 6.659 ( 2.030 3.908 -9.906) 10.841 6.949 ( -3.418 4.091 -1.177) 5.459 7.300 ( 2.201 -6.934 0.443) 7.289 7.717 ( 0.149 -8.220 -6.382) 10.408 7.992 ( 4.622 2.780 1.508) 5.600 8.172 ( -2.541 11.115 0.689) 11.422 8.944 ( 12.301 6.020 -1.372) 13.764 9.160 ( -0.448 1.845 8.916) 9.115 9.608 ( 3.163 5.719 2.147) 6.879 9.981 ( 6.641 0.734 -2.597) 7.169 10.128 ( -9.001 10.681 7.963) 16.079 11.022 ( -6.772 -12.041 -0.856) 13.841 11.299 ( -6.059 -14.368 14.789) 21.491 11.903 ( 3.101 7.063 -2.681) 8.166 12.281 ( 4.735 4.501 1.720) 6.755 12.730 ( 0.675 3.544 1.125) 3.779 12.984 ( -5.765 -2.579 0.398) 6.328 13.508 ( 2.650 -1.193 -1.345) 3.203 15.833 ( 15.818 20.737 -23.254) 34.943 16.865 ( -1.315 -4.861 -16.296) 17.056 18.109 ( -0.293 -6.412 -7.213) 9.655 20.901 ( -7.978 -3.745 22.739) 24.387 22.486 ( -2.986 -3.260 -4.747) 6.487 ======================= Grid point 29 (23/156) ======================= q-point: ( 0.12 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -5.756 12.361 18.050) 22.622 0.936 ( 9.982 21.134 22.003) 32.100 1.641 ( -2.956 26.996 46.268) 53.650 5.813 ( -0.302 -12.041 0.905) 12.079 6.121 ( -0.730 -0.312 -12.785) 12.809 6.171 ( 0.526 1.093 -8.282) 8.370 6.577 ( 0.568 -24.075 28.514) 37.323 6.770 ( -8.909 -10.484 7.770) 15.800 6.808 ( 6.548 1.424 1.445) 6.855 7.119 ( 1.658 5.293 7.277) 9.150 7.475 ( -0.267 -3.598 8.108) 8.874 8.119 ( 5.185 -4.742 -2.201) 7.363 8.406 ( -6.181 -3.978 0.135) 7.351 9.154 ( 4.976 0.393 -4.724) 6.873 9.367 ( -0.705 -4.738 -3.843) 6.141 9.803 ( -0.594 12.149 -21.816) 24.977 10.225 ( 4.321 -13.795 -1.691) 14.554 10.367 ( -6.580 -5.504 2.675) 8.986 10.605 ( 2.800 13.409 -1.393) 13.768 11.228 ( -0.307 14.624 -16.732) 22.224 11.925 ( 1.646 -1.953 4.429) 5.113 12.504 ( 1.311 0.534 1.046) 1.760 12.709 ( -9.739 -1.273 0.813) 9.855 12.987 ( 3.919 12.657 -17.359) 21.838 13.424 ( 1.866 2.601 0.769) 3.292 16.151 ( -7.400 -0.308 10.739) 13.045 16.369 ( 8.352 -58.614 59.544) 83.969 17.874 ( 1.415 5.343 3.452) 6.517 21.143 ( -0.466 8.063 -20.664) 22.186 22.253 ( -1.871 24.923 -16.065) 29.711 ======================= Grid point 30 (24/156) ======================= q-point: ( 0.12 -0.03 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 2.129 26.469 -2.633) 26.684 1.627 ( 8.254 24.478 11.054) 28.098 2.353 ( 17.670 18.183 28.475) 38.127 5.484 ( -5.703 -7.776 1.151) 9.711 6.041 ( -4.515 -8.172 8.644) 12.723 6.105 ( -0.638 -1.750 -6.279) 6.549 6.255 ( 1.372 -1.348 2.233) 2.947 6.570 ( 2.771 -5.789 0.079) 6.418 6.933 ( 2.474 -0.032 0.245) 2.487 7.322 ( -0.306 6.404 -2.068) 6.736 7.564 ( 1.273 10.867 7.754) 13.411 8.007 ( -10.571 -3.346 -0.246) 11.091 8.191 ( 4.766 -11.898 -0.691) 12.836 8.912 ( -15.245 -7.786 1.231) 17.162 9.279 ( 0.205 -2.493 -2.330) 3.418 9.659 ( -9.225 -14.345 -3.381) 17.387 9.939 ( -4.461 -3.110 1.695) 5.696 10.284 ( 7.756 -7.484 -6.011) 12.341 10.992 ( 8.616 8.250 1.715) 12.052 11.592 ( 2.837 13.508 -12.762) 18.798 11.863 ( -0.044 -6.862 1.648) 7.057 12.306 ( -12.809 -0.086 -0.242) 12.811 12.735 ( 10.041 -4.687 1.269) 11.153 13.019 ( -2.067 -3.183 -2.709) 4.663 13.622 ( -0.850 7.298 -15.113) 16.804 15.266 ( -13.069 -13.541 31.736) 36.897 16.567 ( 9.044 8.403 11.166) 16.646 17.998 ( -2.382 7.187 3.581) 8.375 21.258 ( 5.187 0.418 -10.532) 11.748 22.466 ( 1.739 -2.418 -3.127) 4.319 ======================= Grid point 31 (25/156) ======================= q-point: ( 0.12 -0.03 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -4.367 16.682 2.463) 17.419 2.300 ( 10.604 16.675 9.568) 21.956 2.958 ( 11.563 6.755 3.862) 13.937 5.350 ( -0.874 2.493 0.445) 2.679 5.810 ( -4.838 -4.020 -0.235) 6.294 6.050 ( -0.122 -2.488 2.266) 3.368 6.285 ( 2.912 -0.805 0.728) 3.108 6.616 ( 9.468 -2.967 -1.142) 9.987 6.940 ( -0.741 -0.147 -2.831) 2.930 7.402 ( -1.428 2.455 -1.751) 3.336 7.567 ( -14.898 -6.044 1.518) 16.148 7.881 ( 1.276 11.761 5.954) 13.244 8.068 ( 4.106 -8.574 0.255) 9.510 8.398 ( -16.887 -5.477 5.599) 18.615 9.084 ( -9.206 -9.554 -5.671) 14.429 9.319 ( 2.856 -3.552 5.713) 7.309 9.852 ( 1.024 -2.960 3.859) 4.970 10.285 ( 6.977 -7.260 -8.155) 12.958 11.194 ( -3.243 0.727 5.373) 6.318 11.684 ( 8.969 -9.843 -0.810) 13.341 11.913 ( 2.077 8.776 -8.950) 12.706 12.151 ( -7.743 5.806 2.678) 10.042 12.676 ( 4.468 -12.066 -1.201) 12.923 13.029 ( 1.679 1.828 0.790) 2.605 13.652 ( -6.183 4.442 -8.553) 11.450 14.954 ( -5.108 -1.143 13.714) 14.679 16.812 ( -4.778 8.615 4.856) 10.983 18.107 ( 0.247 5.432 4.745) 7.217 21.399 ( 8.785 -2.468 -10.057) 13.580 22.392 ( 1.185 -4.744 5.154) 7.104 ======================= Grid point 32 (26/156) ======================= q-point: ( 0.12 -0.03 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -7.012 -1.097 4.651) 8.485 2.636 ( -1.599 1.912 17.306) 17.484 3.148 ( 1.809 -0.402 -11.936) 12.079 5.457 ( -3.364 5.933 0.666) 6.853 5.681 ( -0.878 0.602 -6.658) 6.742 6.025 ( 1.120 -0.469 6.318) 6.433 6.325 ( 2.155 -1.800 3.095) 4.179 6.786 ( 10.129 -2.722 -2.209) 10.719 6.902 ( -2.022 -1.053 -4.902) 5.406 7.199 ( -2.721 -0.843 2.203) 3.601 7.425 ( -2.609 -0.234 -3.353) 4.255 7.957 ( -1.365 -1.945 7.199) 7.581 8.022 ( -8.275 -2.727 10.041) 13.294 8.201 ( 0.889 12.698 1.141) 12.780 8.852 ( 0.353 -0.224 -5.919) 5.934 9.349 ( 3.361 -1.972 6.160) 7.289 9.816 ( 3.354 -5.830 5.292) 8.558 10.283 ( 6.832 -6.237 -8.846) 12.800 11.031 ( -0.552 -5.383 5.293) 7.569 11.753 ( 8.308 -5.594 -0.463) 10.026 12.049 ( -2.155 1.981 -6.594) 7.214 12.153 ( -7.306 8.132 2.855) 11.299 12.622 ( 10.610 -4.722 1.033) 11.659 13.073 ( -2.446 3.783 -7.092) 8.402 13.588 ( -5.426 0.714 -0.929) 5.551 14.906 ( -2.594 3.390 9.030) 9.988 16.775 ( -8.131 2.969 3.150) 9.211 18.197 ( -1.866 3.149 4.770) 6.013 21.456 ( 7.385 -9.199 -9.331) 15.041 22.397 ( 1.677 2.929 6.123) 6.991 ======================= Grid point 34 (27/156) ======================= q-point: ( 0.12 -0.03 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -10.457 -9.169 8.133) 16.111 2.298 ( -17.307 -11.471 7.873) 22.205 3.021 ( -8.040 -7.246 3.475) 11.367 5.419 ( -4.166 3.318 -1.419) 5.512 5.813 ( 3.830 5.400 1.537) 6.796 6.072 ( 1.673 1.602 4.141) 4.745 6.294 ( 0.630 -2.807 1.542) 3.264 6.788 ( -1.072 -5.827 -2.155) 6.305 6.864 ( 2.207 -2.106 -8.742) 9.259 7.303 ( 0.853 -1.233 -2.817) 3.191 7.430 ( 5.238 5.746 1.650) 7.948 7.857 ( -6.451 0.741 9.715) 11.685 8.040 ( 9.847 3.680 9.839) 14.398 8.501 ( 0.037 14.532 -0.532) 14.541 9.072 ( 9.038 7.144 -8.319) 14.210 9.370 ( 2.604 0.386 6.786) 7.278 9.753 ( 5.074 -6.601 2.322) 8.643 10.312 ( 6.829 -5.219 -4.177) 9.556 11.002 ( 6.776 -6.342 3.025) 9.761 11.745 ( 0.893 -3.479 -0.469) 3.622 11.935 ( -6.117 -2.897 -7.666) 10.226 12.194 ( -3.417 8.149 1.518) 8.965 12.861 ( 6.308 5.230 1.518) 8.334 13.147 ( 1.172 5.870 -12.403) 13.772 13.423 ( -4.847 -6.008 0.305) 7.725 14.986 ( 0.542 7.115 16.817) 18.268 16.635 ( -3.927 -4.320 3.755) 6.941 18.138 ( -6.963 0.744 4.693) 8.430 21.359 ( 3.510 -9.226 -7.269) 12.259 22.537 ( 1.546 4.861 1.616) 5.351 ======================= Grid point 35 (28/156) ======================= q-point: ( 0.12 -0.03 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -14.409 1.098 16.599) 22.008 1.539 ( -24.892 -14.160 3.605) 28.863 2.458 ( -21.766 -14.521 24.554) 35.882 5.525 ( 5.496 5.487 0.377) 7.775 6.047 ( 7.616 4.924 7.861) 12.001 6.133 ( 0.441 1.102 -3.950) 4.125 6.252 ( 1.558 -1.791 4.430) 5.026 6.696 ( 3.075 -2.650 2.339) 4.685 6.833 ( 1.648 -4.209 -6.775) 8.144 7.253 ( -4.702 1.326 -2.150) 5.338 7.544 ( -5.452 -0.108 9.065) 10.579 7.866 ( 6.547 3.753 -0.134) 7.547 8.364 ( 7.415 2.296 4.327) 8.887 8.853 ( 4.592 13.805 -1.131) 14.593 9.251 ( 4.891 -0.922 -2.880) 5.750 9.719 ( 13.975 11.637 -2.070) 18.303 9.805 ( 5.965 -0.416 -3.810) 7.090 10.344 ( 6.428 -4.897 1.433) 8.208 10.900 ( -2.766 -8.386 -1.038) 8.891 11.588 ( -12.344 -2.441 -11.828) 17.270 11.826 ( 3.385 -0.857 3.438) 4.900 12.360 ( 0.374 8.882 1.012) 8.947 12.991 ( 1.368 -2.807 -11.441) 11.860 13.120 ( -10.593 -2.134 0.033) 10.806 13.364 ( 5.570 2.002 -10.835) 12.346 15.325 ( 12.301 15.391 37.785) 42.613 16.403 ( -1.673 -11.443 6.892) 13.462 17.983 ( -8.019 1.051 4.377) 9.196 21.253 ( 0.367 -4.419 -8.483) 9.572 22.588 ( -2.634 -1.177 -6.553) 7.160 ======================= Grid point 37 (29/156) ======================= q-point: ( 0.40 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -6.798 -1.449 -3.076) 7.601 2.666 ( 6.324 7.377 9.437) 13.545 4.243 ( -1.660 -1.946 20.282) 20.442 5.246 ( 3.145 -2.313 -9.235) 10.026 5.462 ( -3.128 3.656 -6.987) 8.484 6.035 ( -3.896 2.425 1.924) 4.976 6.544 ( 0.084 -6.814 1.689) 7.020 6.921 ( 2.074 -3.824 3.927) 5.861 6.945 ( 2.323 -3.362 6.744) 7.885 7.416 ( 7.213 -2.543 -2.380) 8.010 7.534 ( -3.308 5.220 1.726) 6.417 7.986 ( -1.305 -2.612 -3.208) 4.337 8.541 ( -10.860 -0.052 4.571) 11.783 8.588 ( 2.169 0.432 -5.560) 5.984 8.918 ( 1.759 2.950 -4.200) 5.425 9.404 ( 6.197 -6.543 -2.351) 9.313 9.739 ( -3.532 -0.738 3.503) 5.029 10.173 ( -3.911 -6.926 2.604) 8.369 10.688 ( 6.514 6.879 -13.742) 16.691 11.257 ( 0.385 6.123 0.776) 6.184 11.807 ( 1.305 -9.692 -1.467) 9.889 12.287 ( -5.882 1.732 3.690) 7.157 12.659 ( 6.206 -5.033 -1.307) 8.096 12.922 ( -3.422 1.316 -1.698) 4.040 13.687 ( 1.525 -0.712 4.818) 5.103 16.363 ( -6.306 -9.474 7.783) 13.787 17.702 ( 10.348 4.322 20.367) 23.250 18.486 ( -2.723 4.439 4.357) 6.791 19.969 ( -2.279 2.089 -19.136) 19.384 22.759 ( -0.341 1.058 4.120) 4.268 ======================= Grid point 38 (30/156) ======================= q-point: ( 0.40 -0.03 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 4.521 23.242 -8.719) 25.232 2.709 ( -10.873 1.707 0.198) 11.008 4.164 ( -4.935 2.009 18.302) 19.062 5.286 ( 4.342 -0.770 -6.141) 7.560 5.443 ( -2.694 -0.650 -6.046) 6.651 6.064 ( -3.753 8.410 3.031) 9.695 6.508 ( 2.713 -0.772 -0.690) 2.904 6.823 ( 0.187 -5.776 6.462) 8.669 6.960 ( 1.884 -0.523 5.809) 6.130 7.412 ( 0.761 -2.716 -1.987) 3.451 7.605 ( 0.881 0.719 0.526) 1.253 7.925 ( -4.583 -0.766 -2.639) 5.344 8.198 ( -6.603 -6.110 6.459) 11.075 8.664 ( 1.836 0.531 -6.244) 6.530 8.948 ( -4.582 1.521 -0.357) 4.841 9.454 ( -1.185 -3.213 0.086) 3.425 9.594 ( 10.405 -2.367 5.577) 12.041 10.184 ( 6.608 -2.515 9.753) 12.046 10.844 ( 6.933 -5.999 -18.525) 20.669 11.219 ( 4.310 -13.023 -0.002) 13.718 11.739 ( -1.403 2.077 4.820) 5.433 12.271 ( -5.916 6.857 -1.147) 9.129 12.531 ( 2.604 -5.254 1.741) 6.117 13.045 ( 2.635 1.160 -0.900) 3.017 13.670 ( -5.596 4.881 1.720) 7.623 16.173 ( -9.681 7.745 12.119) 17.337 17.684 ( -15.980 4.960 6.114) 17.815 18.721 ( 11.458 2.609 11.183) 16.222 19.949 ( 6.681 -7.391 -18.379) 20.906 22.767 ( 2.298 -2.061 4.941) 5.826 ======================= Grid point 39 (31/156) ======================= q-point: ( 0.40 -0.03 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -6.586 14.618 -1.368) 16.091 2.385 ( -13.470 3.970 -10.504) 17.537 4.152 ( -4.919 7.197 17.328) 19.397 5.310 ( -3.106 -3.797 -3.619) 6.096 5.423 ( 6.159 1.578 -5.619) 8.485 6.211 ( -2.985 9.501 -1.282) 10.041 6.461 ( -3.467 -2.517 1.778) 4.638 6.746 ( 1.998 -4.447 4.261) 6.475 6.974 ( 1.057 -1.886 8.759) 9.022 7.405 ( -1.357 -5.493 0.618) 5.692 7.509 ( -2.930 2.765 0.256) 4.037 7.804 ( -1.157 3.052 -0.389) 3.287 8.203 ( 9.601 -0.100 -1.400) 9.703 8.706 ( -1.661 1.400 0.558) 2.243 8.829 ( -4.783 0.486 -1.162) 4.946 9.462 ( 0.940 0.539 -0.483) 1.186 9.746 ( 13.399 -10.484 10.308) 19.892 10.269 ( 3.289 0.547 11.017) 11.511 10.797 ( 8.100 -13.013 -18.155) 23.760 11.002 ( 2.995 -9.761 -1.760) 10.361 11.767 ( 1.566 -0.270 6.196) 6.396 12.276 ( 1.071 1.510 -0.369) 1.888 12.663 ( 4.501 6.055 0.043) 7.545 12.927 ( -8.583 -4.616 -0.004) 9.745 13.697 ( -5.942 7.559 0.290) 9.619 16.239 ( -10.322 16.494 13.707) 23.801 17.449 ( -14.799 7.132 1.479) 16.494 18.884 ( 2.554 -2.731 14.331) 14.810 19.970 ( 12.747 -10.181 -19.733) 25.604 22.775 ( 3.619 -3.200 5.016) 6.964 ======================= Grid point 41 (32/156) ======================= q-point: ( 0.40 -0.03 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -16.718 -8.949 -11.122) 21.984 2.579 ( -7.457 15.905 4.676) 18.178 4.221 ( -1.644 4.130 18.006) 18.547 5.200 ( -0.109 -1.734 -5.744) 6.001 5.548 ( 1.768 -0.694 -7.043) 7.295 6.175 ( -6.684 0.230 -4.957) 8.325 6.455 ( 2.065 0.473 3.709) 4.272 6.753 ( 4.052 1.679 4.391) 6.207 6.900 ( -1.174 -1.851 11.483) 11.691 7.296 ( -0.766 2.569 2.307) 3.537 7.629 ( 1.384 1.371 -0.775) 2.097 7.890 ( 5.426 -1.001 -3.795) 6.697 8.506 ( 8.501 3.040 -4.490) 10.083 8.628 ( -0.428 0.342 5.762) 5.788 8.839 ( -6.076 8.868 -3.677) 11.361 9.384 ( 3.791 -11.180 2.524) 12.072 9.767 ( 4.059 -3.661 4.817) 7.286 10.236 ( -0.069 -7.831 6.334) 10.072 10.681 ( 3.353 -3.835 -12.182) 13.204 11.109 ( 13.198 -0.686 -0.568) 13.228 11.767 ( -1.980 0.224 1.577) 2.541 12.421 ( 5.378 4.679 0.201) 7.131 12.562 ( -10.346 -6.533 -0.172) 12.237 12.888 ( 5.224 2.028 -0.675) 5.644 13.688 ( -6.702 4.904 2.329) 8.625 16.338 ( -4.384 6.146 8.736) 11.546 17.459 ( -8.505 17.698 11.599) 22.806 18.740 ( -2.548 -9.203 9.345) 13.362 20.015 ( 8.303 -7.821 -18.692) 21.898 22.778 ( 2.271 -2.551 4.314) 5.503 ======================= Grid point 43 (33/156) ======================= q-point: ( 0.40 -0.03 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 20.060 3.091 10.370) 22.792 2.466 ( -9.517 -9.408 9.708) 16.533 4.257 ( 2.678 -1.449 21.979) 22.188 5.310 ( -2.080 -1.962 -7.323) 7.862 5.395 ( -1.366 5.212 -10.311) 11.634 5.972 ( 5.954 -3.892 5.913) 9.250 6.717 ( 7.823 -0.304 3.455) 8.557 6.980 ( 2.107 -2.420 -1.272) 3.452 7.020 ( 1.709 -0.801 3.350) 3.845 7.306 ( -6.243 -2.552 1.957) 7.022 7.780 ( 1.920 4.653 -6.423) 8.160 7.826 ( 2.974 -2.996 -1.036) 4.347 8.324 ( -3.827 -3.672 6.735) 8.573 8.650 ( 3.458 -0.013 -12.412) 12.885 8.910 ( 4.021 -2.463 -3.055) 5.618 9.583 ( -6.882 4.609 3.599) 9.031 9.831 ( 9.266 4.761 -7.181) 12.652 10.082 ( -11.238 -1.084 -1.012) 11.335 10.790 ( -1.110 11.529 -8.168) 14.173 10.999 ( -12.236 -1.805 -1.564) 12.467 12.036 ( 7.102 -4.104 0.950) 8.257 12.258 ( 6.163 -0.352 1.403) 6.330 12.737 ( -2.635 -7.389 0.920) 7.899 12.903 ( 1.919 9.019 -3.576) 9.889 13.714 ( 4.047 -5.514 5.635) 8.861 16.567 ( 25.834 -9.221 12.285) 30.055 17.477 ( -4.827 -17.745 11.410) 21.642 18.554 ( -4.971 11.984 13.938) 19.042 19.887 ( -10.788 9.432 -22.703) 26.847 22.732 ( -3.392 2.697 4.446) 6.208 ======================= Grid point 44 (34/156) ======================= q-point: ( 0.40 -0.03 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -12.934 -17.284 6.341) 22.499 2.189 ( 19.182 7.699 14.001) 24.965 4.282 ( 1.590 -1.348 21.834) 21.933 5.246 ( 0.178 -1.421 -8.678) 8.796 5.445 ( -3.477 4.576 -8.745) 10.465 6.056 ( 3.607 -1.590 4.121) 5.703 6.740 ( -0.299 -7.769 1.184) 7.865 6.930 ( 4.545 -5.325 -0.397) 7.012 6.985 ( 1.477 -4.086 5.799) 7.246 7.268 ( 1.492 3.776 2.067) 4.556 7.566 ( -2.160 -3.206 -2.731) 4.733 8.114 ( -7.637 2.233 3.841) 8.836 8.301 ( 11.158 5.293 -11.194) 16.668 8.733 ( 5.956 -3.693 -2.525) 7.449 8.880 ( -1.679 -3.260 -2.400) 4.383 9.571 ( -12.340 9.904 0.457) 15.830 9.667 ( 0.012 -8.104 -1.114) 8.180 10.299 ( 6.633 12.944 -10.093) 17.703 10.613 ( -13.387 -7.041 -0.270) 15.128 11.052 ( -0.749 11.602 -3.242) 12.070 11.988 ( 4.343 -10.268 1.112) 11.204 12.372 ( -2.360 3.252 0.648) 4.070 12.561 ( 4.925 -7.185 -1.747) 8.884 13.051 ( -4.817 3.998 -1.800) 6.514 13.660 ( 6.233 -6.963 6.689) 11.493 16.778 ( 8.611 -24.704 5.131) 26.660 17.221 ( 16.039 2.459 19.348) 25.252 18.574 ( -10.020 5.296 13.473) 17.606 19.930 ( -9.169 12.730 -23.249) 28.047 22.737 ( -2.729 3.730 4.133) 6.200 ======================= Grid point 45 (35/156) ======================= q-point: (-0.32 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 7.730 20.439 -9.999) 24.031 2.497 ( -7.259 -7.949 -13.849) 17.541 4.281 ( 0.987 0.487 -23.777) 23.803 5.286 ( -3.251 1.034 10.706) 11.237 5.376 ( 2.750 -3.901 7.481) 8.874 6.056 ( 2.987 4.431 -4.832) 7.204 6.727 ( 0.583 9.129 -1.552) 9.278 7.002 ( -0.879 4.678 -0.440) 4.780 7.006 ( -0.860 1.281 -4.415) 4.677 7.323 ( -2.245 -6.761 -0.387) 7.135 7.608 ( -5.845 8.683 5.964) 12.047 7.968 ( 6.043 -4.128 -2.723) 7.808 8.433 ( 1.365 -6.977 5.663) 9.089 8.662 ( 5.355 6.779 1.181) 8.719 8.931 ( -2.273 2.586 5.538) 6.521 9.455 ( -3.281 -5.527 3.387) 7.265 9.712 ( -3.885 -0.622 1.346) 4.158 10.273 ( 11.867 -6.180 5.798) 14.582 10.544 ( -9.745 2.948 5.646) 11.642 11.041 ( 1.093 -9.860 0.402) 9.928 12.056 ( -1.651 9.151 0.423) 9.308 12.292 ( 3.062 0.702 -2.063) 3.758 12.713 ( -7.803 2.812 3.803) 9.125 12.913 ( 7.580 0.059 -1.109) 7.661 13.752 ( -1.728 4.217 -6.166) 7.667 16.736 ( 6.618 24.271 -8.526) 26.562 17.643 ( -10.467 -0.439 -21.213) 23.659 18.383 ( 2.749 -4.993 -6.446) 8.605 19.796 ( 1.682 -14.472 21.573) 26.032 22.703 ( 0.175 -3.859 -4.393) 5.849 ======================= Grid point 46 (36/156) ======================= q-point: (-0.32 -0.04 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -19.716 -1.552 -16.563) 25.796 2.254 ( 8.996 12.117 -14.260) 20.763 4.272 ( 1.148 -1.878 -26.578) 26.669 5.275 ( 0.610 1.314 8.676) 8.796 5.353 ( 2.298 -3.788 9.373) 10.367 6.127 ( -6.527 4.269 -5.503) 9.545 6.855 ( -4.001 3.031 -2.858) 5.776 7.008 ( -0.450 2.370 1.871) 3.053 7.055 ( -2.188 0.413 -0.621) 2.312 7.235 ( 1.421 1.604 1.307) 2.510 7.705 ( -0.371 7.716 2.381) 8.084 7.978 ( -1.259 -5.540 -0.206) 5.685 8.259 ( -0.788 -1.317 5.841) 6.039 8.807 ( -9.480 1.695 7.656) 12.303 8.961 ( 0.537 5.041 2.938) 5.860 9.310 ( 14.429 -11.277 -3.240) 18.598 9.835 ( 10.394 0.661 10.394) 14.714 9.990 ( -4.877 -7.897 10.507) 14.019 10.800 ( 6.009 7.454 -2.076) 9.797 10.839 ( -4.217 -7.245 -0.015) 8.383 12.110 ( -0.346 0.804 -1.311) 1.576 12.325 ( -0.433 -0.404 6.483) 6.510 12.742 ( -3.502 8.618 -1.866) 9.488 12.946 ( -0.793 -4.851 -0.229) 4.921 13.789 ( -2.810 4.121 -6.652) 8.314 17.189 ( -24.408 1.855 -18.272) 30.546 17.406 ( -3.534 28.836 -6.905) 29.861 18.435 ( 6.492 -8.137 -13.140) 16.763 19.580 ( 16.261 -17.743 23.830) 33.869 22.655 ( 3.236 -3.340 -4.994) 6.824 ======================= Grid point 48 (37/156) ======================= q-point: (-0.32 -0.04 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -4.596 14.365 4.861) 15.846 2.388 ( 9.838 -17.980 -9.586) 22.627 4.233 ( -2.273 -3.085 -18.772) 19.159 5.216 ( -1.301 0.555 7.383) 7.518 5.532 ( 2.993 3.164 7.813) 8.945 6.070 ( 2.882 -1.330 -0.091) 3.175 6.559 ( -7.591 1.081 -1.135) 7.751 6.843 ( -3.546 -4.479 -4.703) 7.399 6.903 ( -2.539 -0.426 -7.539) 7.966 7.299 ( -0.528 -3.791 -1.003) 3.957 7.597 ( 3.811 2.467 -0.958) 4.639 8.029 ( -6.856 2.526 4.164) 8.410 8.479 ( 7.141 -4.839 5.177) 10.060 8.714 ( 3.114 -6.912 -0.371) 7.590 8.768 ( -7.641 -1.469 0.548) 7.800 9.483 ( -5.964 8.462 -0.467) 10.363 9.760 ( 4.483 3.594 -1.806) 6.023 10.312 ( -6.172 4.095 -2.236) 7.738 10.663 ( 5.594 6.762 9.495) 12.930 11.262 ( 3.735 1.201 0.884) 4.022 11.763 ( -6.644 -2.694 1.304) 7.287 12.421 ( 1.609 6.386 -2.120) 6.919 12.479 ( -0.364 -9.497 2.057) 9.724 13.042 ( -5.952 6.473 1.249) 8.881 13.581 ( 1.499 -7.972 -4.738) 9.394 16.395 ( -10.310 -5.477 -5.656) 12.972 17.309 ( 5.630 -18.293 -17.114) 25.675 18.672 ( 3.871 10.114 -11.665) 15.917 20.087 ( 1.853 7.658 21.084) 22.508 22.792 ( 1.066 2.492 -3.891) 4.742 ======================= Grid point 49 (38/156) ======================= q-point: (-0.32 -0.04 0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 9.433 7.165 7.331) 13.931 2.202 ( 7.777 -16.222 3.721) 18.371 4.086 ( 0.856 -7.295 -16.650) 18.199 5.267 ( 1.054 3.661 2.763) 4.706 5.548 ( -4.796 0.070 5.951) 7.644 6.103 ( 6.819 -7.135 5.127) 11.122 6.444 ( -2.812 0.584 -5.636) 6.326 6.782 ( -1.207 4.919 -3.691) 6.268 6.976 ( 1.339 3.625 -8.602) 9.430 7.275 ( 5.142 1.211 -2.967) 6.058 7.552 ( -3.816 -5.812 1.953) 7.222 7.875 ( -5.913 -3.728 4.149) 8.128 8.407 ( -8.564 -3.676 3.618) 9.997 8.625 ( 8.097 1.039 -3.402) 8.844 8.716 ( 2.260 -3.517 -1.238) 4.360 9.493 ( -1.566 -1.066 5.677) 5.985 9.961 ( -6.107 11.878 -10.483) 16.979 10.330 ( -1.877 3.064 -10.055) 10.678 10.921 ( -3.036 16.345 8.757) 18.790 11.171 ( -11.764 5.077 4.436) 13.559 11.747 ( 3.730 -1.958 -0.307) 4.224 12.259 ( 1.779 -9.842 4.385) 10.921 12.712 ( 9.701 7.033 -2.055) 12.157 12.861 ( -12.884 -1.030 -2.591) 13.182 13.550 ( 7.788 -7.211 0.814) 10.645 16.071 ( 4.005 -16.430 -9.743) 19.516 17.201 ( 8.300 -6.583 -6.826) 12.602 18.897 ( 0.963 5.217 -16.282) 17.124 20.193 ( -7.112 7.932 21.351) 23.862 22.839 ( -1.986 2.716 -4.678) 5.763 ======================= Grid point 50 (39/156) ======================= q-point: (-0.32 -0.04 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -5.474 -18.126 6.096) 19.891 2.405 ( 15.500 0.868 6.912) 16.993 4.048 ( 5.309 -1.757 -17.163) 18.051 5.338 ( 0.563 -0.694 3.096) 3.223 5.459 ( -5.290 4.359 5.826) 8.996 5.989 ( 3.354 -10.164 -2.491) 10.989 6.531 ( 1.556 3.956 0.480) 4.278 6.836 ( -2.386 2.253 -6.233) 7.044 6.995 ( -1.403 0.454 -4.498) 4.733 7.407 ( 0.347 0.177 1.595) 1.642 7.619 ( 10.755 7.619 -3.014) 13.520 7.695 ( 1.240 -5.831 2.988) 6.669 8.253 ( -6.741 3.861 -0.792) 7.808 8.673 ( 0.637 0.042 2.647) 2.723 8.819 ( 7.486 -3.048 -1.486) 8.218 9.410 ( -0.331 -1.667 5.246) 5.514 9.905 ( -13.836 4.666 -10.747) 18.130 10.328 ( -6.225 3.918 -11.489) 13.642 11.024 ( -10.152 7.463 15.902) 20.289 11.295 ( -2.364 15.048 2.864) 15.499 11.707 ( 1.609 -5.976 -3.675) 7.198 12.149 ( 5.507 -8.160 3.937) 10.603 12.624 ( -6.308 1.755 -3.374) 7.366 13.037 ( 4.065 5.057 -1.317) 6.620 13.529 ( 6.599 -7.173 1.577) 9.873 15.949 ( 10.392 -8.161 -12.060) 17.890 17.336 ( 14.195 -4.202 -3.453) 15.202 18.906 ( -5.274 -0.621 -17.557) 18.342 20.148 ( -10.291 5.810 21.444) 24.485 22.830 ( -3.098 1.683 -5.193) 6.277 ======================= Grid point 51 (40/156) ======================= q-point: (-0.32 -0.04 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -5.260 -1.230 2.214) 5.838 2.633 ( 8.762 -5.712 -4.776) 11.498 4.183 ( 3.806 3.190 -19.111) 19.746 5.321 ( -2.122 1.501 7.724) 8.150 5.425 ( -1.399 -1.772 7.100) 7.451 5.934 ( 4.961 -2.769 -4.393) 7.182 6.570 ( -2.370 5.154 -2.384) 6.153 6.923 ( 2.240 3.404 -2.706) 4.892 6.982 ( -1.244 1.638 -5.149) 5.544 7.454 ( 3.543 -4.384 -2.146) 6.031 7.586 ( -7.770 5.721 6.009) 11.367 7.913 ( 7.767 -2.662 1.448) 8.338 8.317 ( 4.593 4.097 -7.879) 9.998 8.672 ( -2.996 -1.353 10.825) 11.314 8.857 ( 5.407 -2.198 1.009) 5.923 9.571 ( 9.117 6.722 -0.740) 11.352 9.669 ( -15.292 4.362 0.130) 15.903 10.218 ( -5.758 -1.065 -6.923) 9.067 10.870 ( -9.681 -3.470 15.221) 18.370 11.276 ( -1.686 -10.345 1.365) 10.570 11.808 ( 1.568 11.418 -0.246) 11.527 12.168 ( 5.176 0.063 -3.015) 5.991 12.694 ( 1.684 6.880 -1.842) 7.319 12.963 ( -6.276 -5.918 3.924) 9.476 13.639 ( 6.014 1.956 -3.849) 7.403 16.182 ( 9.976 9.275 -11.444) 17.790 17.581 ( 15.904 -4.806 -9.716) 19.246 18.651 ( -12.493 -3.981 -12.954) 18.432 20.017 ( -6.563 -1.283 20.482) 21.546 22.781 ( -2.229 -0.888 -4.565) 5.158 ======================= Grid point 52 (41/156) ======================= q-point: (-0.05 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 0.000 0.000 -31.674) 31.674 0.668 ( 0.000 0.000 -31.674) 31.674 1.248 ( 0.000 0.000 -58.938) 58.938 5.995 ( 0.000 0.000 -2.431) 2.431 6.124 ( -0.000 -0.000 13.377) 13.377 6.124 ( -0.000 -0.000 13.377) 13.377 6.800 ( 0.000 0.000 -8.155) 8.155 6.800 ( 0.000 0.000 -8.155) 8.155 6.811 ( 0.000 0.000 -0.664) 0.664 7.301 ( 0.000 0.000 -0.140) 0.140 8.172 ( -0.000 -0.000 1.737) 1.737 8.172 ( -0.000 -0.000 1.737) 1.737 8.449 ( -0.000 -0.000 0.860) 0.860 8.696 ( -0.000 -0.000 0.446) 0.446 9.423 ( -0.000 -0.000 4.131) 4.131 9.423 ( -0.000 -0.000 4.131) 4.131 10.397 ( -0.000 -0.000 3.180) 3.180 10.442 ( 0.000 0.000 -5.041) 5.041 10.442 ( 0.000 0.000 -5.041) 5.041 11.033 ( -0.000 -0.000 20.575) 20.575 11.949 ( 0.000 0.000 -4.749) 4.749 12.515 ( 0.000 0.000 -4.583) 4.583 12.725 ( 0.000 0.000 -1.763) 1.763 12.725 ( 0.000 0.000 -1.763) 1.763 13.407 ( 0.000 0.000 -3.976) 3.976 16.127 ( 0.000 0.000 -9.763) 9.763 17.814 ( 0.000 0.000 -3.536) 3.536 17.814 ( 0.000 0.000 -3.536) 3.536 20.691 ( -0.000 -0.000 28.215) 28.215 21.730 ( 0.000 0.000 -21.023) 21.023 ======================= Grid point 53 (42/156) ======================= q-point: (-0.05 -0.05 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 8.629 8.731 -17.893) 21.699 1.098 ( 12.238 23.179 -13.949) 29.692 1.937 ( 24.483 19.293 -37.502) 48.764 5.690 ( -8.688 -9.744 -1.007) 13.094 6.129 ( 0.666 -0.776 8.994) 9.052 6.174 ( -1.720 -0.878 7.004) 7.266 6.374 ( -12.136 -12.369 -26.882) 31.983 6.688 ( 0.474 -5.323 0.322) 5.354 6.926 ( -0.727 2.939 -4.678) 5.572 7.125 ( 3.825 7.065 -1.926) 8.262 7.463 ( 0.960 0.413 -6.900) 6.978 8.051 ( -9.194 -1.217 1.488) 9.393 8.410 ( 3.018 -7.255 -0.351) 7.866 9.037 ( -11.627 -3.997 1.583) 12.396 9.329 ( -2.192 -2.448 3.787) 5.014 9.853 ( 0.211 -0.935 13.551) 13.585 10.054 ( -14.395 -9.592 -0.706) 17.312 10.396 ( 2.477 -2.901 0.943) 3.929 10.757 ( 8.944 12.676 2.422) 15.702 11.336 ( 9.773 9.257 15.155) 20.270 11.905 ( -3.398 0.322 -4.340) 5.522 12.397 ( -3.957 -6.128 -1.934) 7.547 12.836 ( 13.423 -4.949 -1.418) 14.377 13.019 ( -0.680 6.300 17.484) 18.597 13.453 ( -0.897 6.037 4.998) 7.888 15.712 ( -23.468 -28.025 -43.497) 56.817 16.430 ( -2.319 5.376 -18.755) 19.648 17.872 ( 1.491 3.526 -4.058) 5.579 21.212 ( 3.925 3.499 13.568) 14.551 22.428 ( 11.895 7.250 14.489) 20.099 ======================= Grid point 54 (43/156) ======================= q-point: (-0.05 -0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 2.766 19.880 -7.780) 21.527 1.912 ( 17.429 18.907 -5.970) 26.399 2.752 ( 16.782 12.195 -14.793) 25.479 5.393 ( -1.890 -5.452 -0.578) 5.799 5.919 ( -5.818 -5.990 -4.862) 9.662 6.098 ( -0.702 -2.000 -0.504) 2.179 6.287 ( 1.185 0.853 -0.613) 1.583 6.673 ( 6.237 -2.324 6.001) 8.962 6.942 ( -1.942 1.732 0.143) 2.606 7.302 ( -0.806 5.831 3.477) 6.837 7.577 ( -3.153 3.287 -4.997) 6.761 7.796 ( -4.227 -2.776 -4.602) 6.837 8.246 ( -3.884 -7.495 -4.150) 9.407 8.575 ( -10.923 -11.136 -1.394) 15.661 9.240 ( -4.944 -3.302 5.311) 7.972 9.458 ( -7.224 -10.649 -2.891) 13.189 9.850 ( -4.146 2.341 -1.085) 4.884 10.382 ( 0.644 -1.503 4.804) 5.075 11.094 ( -0.239 7.943 -2.000) 8.194 11.681 ( 5.074 6.262 8.637) 11.813 11.864 ( 0.846 0.812 1.170) 1.656 12.160 ( -1.443 -7.766 -2.190) 8.197 12.902 ( 2.263 -8.404 5.988) 10.564 13.047 ( 6.901 -3.811 -3.485) 8.619 13.510 ( -8.405 8.843 10.941) 16.387 15.055 ( -6.301 -8.682 -22.742) 25.146 16.629 ( -1.220 9.105 -6.000) 10.972 18.010 ( 4.063 3.345 -5.043) 7.289 21.359 ( 3.067 4.696 8.265) 9.989 22.526 ( 2.407 -6.108 0.762) 6.610 ======================= Grid point 55 (44/156) ======================= q-point: (-0.05 -0.05 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.824 9.444 -5.134) 10.780 2.521 ( 8.791 8.533 -13.832) 18.478 3.126 ( 4.105 2.711 7.473) 8.947 5.378 ( 3.129 0.534 -0.590) 3.229 5.715 ( -3.547 -3.383 4.401) 6.588 6.043 ( -0.579 -1.134 -6.282) 6.410 6.335 ( 1.247 0.856 -3.084) 3.435 6.800 ( 5.622 -0.314 10.469) 11.887 6.938 ( -0.117 0.271 -0.315) 0.432 7.276 ( -9.409 -5.641 -1.964) 11.145 7.388 ( -0.714 3.410 2.938) 4.557 7.896 ( 0.145 4.458 -11.134) 11.994 8.028 ( -4.935 2.733 -7.226) 9.168 8.212 ( -0.656 -12.005 -1.596) 12.129 8.919 ( -5.742 -5.826 6.550) 10.479 9.371 ( 1.220 -0.166 -5.989) 6.115 9.859 ( -0.656 1.992 -4.735) 5.179 10.360 ( -0.128 -0.771 8.916) 8.950 11.083 ( -4.987 0.730 -5.303) 7.316 11.827 ( 1.944 1.655 2.576) 3.627 11.984 ( 4.334 1.601 5.082) 6.868 12.061 ( -0.297 -1.241 -3.342) 3.577 12.753 ( 0.542 -5.654 -0.357) 5.691 13.039 ( -0.258 -2.016 6.571) 6.878 13.541 ( -2.137 3.949 1.174) 4.641 14.887 ( -1.054 -1.894 -9.445) 9.691 16.712 ( -2.135 3.068 -3.406) 5.057 18.148 ( 2.651 1.468 -5.199) 6.018 21.519 ( 1.629 3.744 9.542) 10.379 22.413 ( 0.305 -4.749 -5.716) 7.438 ======================= Grid point 59 (45/156) ======================= q-point: ( 0.23 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -6.790 10.712 7.347) 14.657 1.782 ( 10.136 17.909 18.581) 27.726 2.961 ( -2.154 13.486 37.446) 39.859 5.597 ( -0.014 -8.478 -0.031) 8.478 5.843 ( -1.265 0.793 -13.531) 13.613 6.050 ( -2.035 2.079 -6.328) 6.965 6.590 ( -6.827 -15.653 7.781) 18.766 6.667 ( 1.798 -7.574 11.889) 14.211 6.843 ( 5.792 -2.731 2.353) 6.822 7.294 ( 2.462 4.985 0.407) 5.574 7.729 ( 0.650 6.944 7.338) 10.124 7.896 ( 4.915 -6.644 -5.039) 9.680 8.351 ( -11.046 -3.480 3.156) 12.004 9.017 ( 6.310 -4.299 -5.129) 9.198 9.158 ( -0.833 -4.501 -5.643) 7.266 9.652 ( -1.617 -1.558 -5.900) 6.313 9.845 ( 10.510 -9.265 -5.701) 15.126 10.250 ( -11.788 -9.852 2.567) 15.576 10.845 ( 7.307 9.669 -0.333) 12.124 11.255 ( -1.092 16.564 -14.603) 22.109 11.933 ( 0.341 -6.307 4.892) 7.989 12.380 ( -2.793 -2.229 -8.421) 9.148 12.720 ( 1.146 -3.179 3.515) 4.876 12.971 ( -4.814 4.138 -3.615) 7.305 13.486 ( 4.270 -1.055 4.220) 6.096 16.180 ( -14.081 -24.972 21.357) 35.749 16.653 ( 16.855 2.726 23.091) 28.718 18.116 ( 0.150 7.648 5.511) 9.428 20.821 ( -1.704 5.395 -23.859) 24.521 22.472 ( -1.885 6.618 3.529) 7.734 ======================= Grid point 60 (46/156) ======================= q-point: ( 0.23 -0.05 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 3.822 21.858 -8.554) 23.782 2.293 ( 3.656 15.970 9.708) 19.044 3.171 ( 2.503 3.713 27.146) 27.513 5.425 ( -2.824 -1.196 1.533) 3.428 5.861 ( 0.259 -1.811 -11.620) 11.763 5.947 ( -3.715 -3.289 -1.476) 5.176 6.341 ( 0.917 -0.594 7.232) 7.314 6.600 ( 1.145 -1.650 9.140) 9.358 6.869 ( 2.095 -3.029 -2.111) 4.245 7.417 ( -0.765 4.213 0.683) 4.336 7.846 ( 8.539 -8.524 -4.912) 13.027 7.931 ( -7.934 5.156 0.210) 9.464 7.989 ( -6.233 -2.640 7.440) 10.058 8.795 ( -8.053 -6.967 3.053) 11.078 9.112 ( -3.860 -3.185 -7.733) 9.211 9.429 ( -0.942 -8.077 5.984) 10.096 9.874 ( 3.607 -10.679 -7.472) 13.524 9.955 ( 5.137 -5.377 3.055) 8.039 11.202 ( 11.995 4.082 4.458) 13.432 11.569 ( 1.767 5.202 -14.424) 15.435 11.683 ( -3.150 -8.022 2.452) 8.960 12.306 ( -7.375 6.650 -7.423) 12.398 12.593 ( 0.864 -9.092 2.143) 9.381 13.026 ( 2.504 1.357 1.077) 3.045 13.559 ( -0.825 3.693 -3.299) 5.020 15.529 ( -12.545 -7.670 19.795) 24.659 17.035 ( 1.889 10.654 13.303) 17.148 18.252 ( -1.652 6.856 6.084) 9.314 20.890 ( 8.201 -4.793 -18.731) 21.002 22.508 ( 0.300 -0.612 7.132) 7.165 ======================= Grid point 61 (47/156) ======================= q-point: ( 0.23 -0.05 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -6.616 8.420 0.306) 10.713 2.719 ( 6.971 12.673 -7.024) 16.079 3.173 ( -4.389 -1.074 20.142) 20.642 5.479 ( 1.444 6.857 -0.939) 7.070 5.641 ( -7.715 -3.859 -5.768) 10.377 6.011 ( 6.364 0.611 -1.657) 6.604 6.390 ( 1.125 -0.303 10.132) 10.199 6.651 ( 1.787 2.647 1.283) 3.442 6.832 ( 0.725 -3.226 -2.992) 4.460 7.410 ( -6.163 0.052 1.589) 6.365 7.473 ( -8.799 -8.102 2.585) 12.237 7.902 ( 7.624 -1.822 -3.131) 8.441 8.186 ( 3.840 5.605 2.377) 7.198 8.507 ( -11.408 0.910 8.348) 14.165 8.831 ( -7.378 -4.264 -2.873) 8.993 9.417 ( 5.953 -2.738 9.813) 11.800 9.857 ( 8.829 -3.779 -2.239) 9.861 9.890 ( 5.761 -11.854 -0.691) 13.197 11.226 ( -4.841 -12.692 5.908) 14.813 11.510 ( 12.978 -2.807 1.165) 13.329 11.821 ( 2.985 2.539 -15.245) 15.741 12.338 ( -6.075 6.091 -2.431) 8.940 12.465 ( 5.334 -3.578 3.386) 7.261 13.033 ( -3.628 0.061 -2.653) 4.495 13.613 ( -2.436 4.036 -3.415) 5.821 15.295 ( -7.780 5.153 17.001) 19.394 17.112 ( -13.099 8.579 5.723) 16.672 18.363 ( -0.701 5.293 8.245) 9.823 20.958 ( 12.805 -10.488 -16.120) 23.105 22.515 ( 2.406 -0.701 8.813) 9.162 ======================= Grid point 62 (48/156) ======================= q-point: ( 0.23 -0.05 -0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -12.708 2.148 7.237) 14.781 2.693 ( -14.133 -8.561 -9.425) 19.022 3.224 ( 2.167 6.353 19.057) 20.205 5.453 ( -4.361 -0.708 -5.026) 6.692 5.711 ( 3.417 8.212 -3.067) 9.409 6.164 ( 4.015 0.720 7.163) 8.243 6.336 ( -0.369 -3.216 3.733) 4.941 6.672 ( -3.755 0.799 -7.247) 8.201 6.750 ( 1.116 -6.299 -0.085) 6.397 7.211 ( 1.442 -1.539 0.383) 2.143 7.481 ( 0.127 5.559 4.164) 6.947 8.030 ( 3.618 0.495 0.475) 3.683 8.215 ( 0.310 -1.901 11.964) 12.118 8.546 ( -3.189 14.172 2.406) 14.724 8.742 ( 2.160 2.741 -7.187) 7.990 9.483 ( 4.414 -2.542 10.239) 11.436 9.701 ( 5.146 -14.650 1.557) 15.605 10.041 ( 10.299 -0.513 -1.012) 10.361 10.949 ( 4.147 -11.168 3.824) 12.511 11.655 ( 5.374 -1.902 -2.567) 6.252 11.819 ( -1.131 -3.831 -11.903) 12.556 12.301 ( -0.554 1.013 1.951) 2.267 12.713 ( 9.777 6.904 3.534) 12.480 12.906 ( -7.140 -0.377 -11.475) 13.520 13.577 ( -6.237 0.691 -0.518) 6.297 15.384 ( -1.599 12.076 20.111) 23.513 16.929 ( -14.455 3.593 5.238) 15.789 18.398 ( -4.688 2.646 7.649) 9.353 20.974 ( 10.659 -11.449 -14.509) 21.336 22.576 ( 3.096 0.054 6.539) 7.235 ======================= Grid point 63 (49/156) ======================= q-point: ( 0.23 -0.05 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -13.513 2.238 8.896) 16.332 2.099 ( -21.750 -4.990 0.957) 22.335 3.244 ( -4.239 -3.137 25.116) 25.664 5.442 ( 1.899 2.058 -2.065) 3.479 5.889 ( 1.638 0.686 -7.924) 8.120 6.126 ( -2.468 -1.052 1.086) 2.895 6.390 ( 6.427 0.049 11.236) 12.944 6.600 ( 4.404 -6.572 -0.150) 7.913 6.708 ( -1.220 4.592 -3.445) 5.869 7.304 ( -0.656 3.859 -0.106) 3.916 7.563 ( 3.617 2.440 0.474) 4.389 8.010 ( -4.790 -1.774 4.952) 7.115 8.338 ( 7.563 1.353 9.855) 12.496 8.771 ( -1.245 12.069 -3.821) 12.720 9.018 ( 7.907 5.450 -6.550) 11.625 9.436 ( 8.183 -6.256 0.978) 10.347 9.667 ( 5.192 -0.607 1.195) 5.362 10.207 ( 9.672 -4.519 2.797) 11.036 10.890 ( 3.104 -4.148 0.771) 5.238 11.584 ( -9.821 -1.827 -14.419) 17.542 11.780 ( 6.044 -1.208 2.472) 6.641 12.362 ( -1.133 4.801 -0.153) 4.935 12.741 ( -2.690 -3.856 -12.924) 13.753 13.041 ( 10.973 -1.808 1.515) 11.224 13.420 ( -9.167 3.904 1.451) 10.069 15.735 ( 10.358 11.591 26.399) 30.635 16.692 ( -11.400 1.220 9.404) 14.828 18.285 ( -8.210 0.595 6.658) 10.587 20.932 ( 4.811 -8.012 -16.484) 18.949 22.599 ( 0.119 -2.268 3.442) 4.124 ======================= Grid point 65 (50/156) ======================= q-point: ( 0.23 -0.05 -0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 8.571 9.653 22.119) 25.610 1.483 ( -18.653 -1.166 21.000) 28.113 2.787 ( -11.770 13.669 42.115) 45.815 5.675 ( 6.544 -6.633 -4.464) 10.332 5.883 ( -2.787 2.744 -13.847) 14.389 6.009 ( 2.257 0.218 -4.743) 5.257 6.709 ( 6.746 -2.454 2.443) 7.582 6.803 ( 8.360 -11.333 12.791) 19.024 7.023 ( 2.155 -0.287 3.853) 4.424 7.173 ( -1.322 -4.053 3.003) 5.214 7.623 ( 0.372 1.070 7.325) 7.412 8.009 ( -0.570 -8.910 -2.372) 9.238 8.406 ( 9.042 6.595 -1.087) 11.244 9.007 ( -1.056 -10.412 -1.005) 10.513 9.204 ( 2.809 -0.818 -8.295) 8.796 9.566 ( -7.245 8.409 -12.800) 16.942 10.058 ( 5.000 -17.046 -0.872) 17.785 10.357 ( 11.224 8.948 -3.367) 14.744 10.729 ( -14.401 2.020 -0.435) 14.549 11.029 ( -9.994 12.621 -12.620) 20.456 11.984 ( 1.858 -2.368 3.654) 4.734 12.428 ( 6.673 -4.636 0.667) 8.152 12.752 ( -0.649 -2.140 -4.301) 4.848 12.925 ( -2.982 8.440 1.700) 9.112 13.498 ( 0.299 -3.503 5.632) 6.639 16.314 ( 17.487 -7.990 22.079) 29.276 16.887 ( 10.391 -22.153 20.478) 31.907 17.995 ( -3.528 3.064 7.759) 9.057 20.730 ( -11.699 13.559 -29.178) 34.236 22.365 ( -7.165 8.532 5.392) 12.378 ======================= Grid point 66 (51/156) ======================= q-point: ( 0.51 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.040 19.585 -6.680) 20.693 2.856 ( 0.285 0.840 0.439) 0.990 4.551 ( -1.356 2.013 9.776) 10.073 5.076 ( 1.528 1.010 -4.984) 5.310 5.387 ( -1.248 -1.006 -4.031) 4.338 6.114 ( 0.149 3.705 -1.429) 3.974 6.505 ( -0.258 1.902 2.399) 3.072 6.901 ( 2.157 -4.034 3.508) 5.765 7.057 ( -1.423 2.438 4.442) 5.263 7.375 ( 1.102 -1.196 0.278) 1.650 7.624 ( 0.362 -2.907 -1.224) 3.175 7.833 ( 1.085 -0.881 -0.031) 1.398 8.449 ( -0.930 -3.853 -2.248) 4.556 8.678 ( -7.931 0.217 5.881) 9.876 8.891 ( 6.543 0.853 -6.424) 9.209 9.298 ( 1.689 -1.985 1.760) 3.145 9.805 ( -5.402 -1.564 3.998) 6.900 10.176 ( 1.920 5.240 2.289) 6.031 10.456 ( 1.340 -9.116 -6.605) 11.337 11.201 ( 1.734 -13.068 3.257) 13.579 11.792 ( -0.044 8.562 0.126) 8.563 12.432 ( -2.208 7.068 -0.948) 7.465 12.508 ( -2.292 -8.864 3.284) 9.727 12.928 ( 4.467 2.326 -1.440) 5.238 13.780 ( -0.755 3.689 0.779) 3.845 16.467 ( -1.807 8.906 3.048) 9.585 18.074 ( 3.852 1.479 7.064) 8.181 18.586 ( -1.351 0.527 -0.229) 1.468 19.635 ( -1.030 -6.238 -7.345) 9.691 22.811 ( -0.072 -1.772 1.770) 2.505 ======================= Grid point 67 (52/156) ======================= q-point: (-0.49 -0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 5.035 28.737 -5.082) 29.614 2.616 ( -18.696 -2.722 -6.776) 20.071 4.556 ( -5.926 6.388 9.087) 12.590 5.186 ( 4.905 1.787 -5.192) 7.363 5.307 ( -1.227 -4.083 -2.053) 4.732 6.220 ( -2.424 5.876 -3.978) 7.498 6.598 ( -0.210 5.713 6.605) 8.735 6.821 ( -1.228 -3.898 4.484) 6.067 7.075 ( -1.077 1.943 2.740) 3.527 7.350 ( 2.712 -3.613 -1.114) 4.653 7.546 ( 1.166 -3.399 -0.355) 3.611 7.894 ( 1.282 0.781 2.758) 3.141 8.192 ( -6.007 -6.322 3.811) 9.517 8.630 ( -2.407 4.702 -3.106) 6.127 8.902 ( -0.759 -2.888 -0.113) 2.988 9.483 ( 12.407 -0.223 4.885) 13.335 9.668 ( 1.373 -3.466 5.858) 6.944 10.148 ( 3.945 -16.898 -11.255) 20.683 10.509 ( 6.122 6.418 5.636) 10.509 10.968 ( -0.729 -8.809 0.450) 8.851 11.899 ( 0.274 0.384 7.018) 7.034 12.277 ( 0.863 -6.405 2.675) 6.995 12.604 ( -1.236 10.749 -2.319) 11.066 13.027 ( -0.613 -1.648 -0.389) 1.801 13.819 ( -5.103 7.001 -0.645) 8.687 16.714 ( -9.068 21.899 8.571) 25.204 17.761 ( -20.184 1.963 -5.571) 21.030 18.949 ( 20.496 -0.606 6.957) 21.653 19.406 ( 2.247 -14.918 -9.872) 18.029 22.779 ( 2.677 -3.505 2.232) 4.943 ======================= Grid point 68 (53/156) ======================= q-point: (-0.49 -0.06 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -27.487 -3.080 -10.202) 29.480 2.682 ( 0.815 16.834 -1.594) 16.929 4.578 ( -5.309 6.252 7.885) 11.378 5.161 ( -2.659 -4.655 -1.382) 5.536 5.328 ( 5.065 0.510 -5.939) 7.822 6.198 ( -6.562 2.358 -5.558) 8.917 6.618 ( -5.034 -0.321 7.947) 9.413 6.783 ( 1.235 2.360 4.585) 5.302 7.110 ( 0.553 1.070 2.761) 3.012 7.333 ( 3.722 -4.659 3.527) 6.928 7.545 ( 0.444 0.532 -0.412) 0.806 7.831 ( -2.148 0.630 0.731) 2.354 8.242 ( 10.081 2.881 1.487) 10.589 8.732 ( 1.900 4.823 -5.330) 7.435 8.795 ( -5.009 -0.562 0.102) 5.041 9.478 ( -0.801 -12.720 8.753) 15.462 9.723 ( 7.392 -0.854 4.405) 8.648 10.146 ( 17.144 -3.872 -14.434) 22.743 10.507 ( -7.572 -7.617 7.939) 13.356 10.923 ( 6.371 2.013 2.255) 7.051 11.890 ( -0.605 -0.340 6.867) 6.902 12.299 ( 7.478 -0.982 1.564) 7.702 12.749 ( -5.529 0.296 -1.219) 5.669 12.854 ( -4.988 1.806 -0.916) 5.383 13.846 ( -5.552 4.897 -0.232) 7.407 16.749 ( -20.406 8.892 4.960) 22.805 17.717 ( -3.811 19.798 -0.237) 20.163 18.934 ( 0.378 -19.202 5.970) 20.112 19.433 ( 15.803 -3.021 -11.040) 19.513 22.780 ( 3.574 -2.684 2.116) 4.945 ======================= Grid point 70 (54/156) ======================= q-point: ( 0.51 -0.06 -0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 8.960 6.255 4.538) 11.832 2.686 ( -1.236 -14.140 0.471) 14.201 4.481 ( 3.495 -5.976 8.637) 11.069 5.166 ( 1.017 5.601 -6.003) 8.273 5.349 ( -2.818 0.272 -0.142) 2.834 6.027 ( -0.450 -3.111 3.882) 4.995 6.582 ( 5.623 2.705 -1.131) 6.342 6.906 ( -1.004 -3.614 -3.136) 4.889 7.084 ( 1.426 -0.035 3.835) 4.092 7.451 ( 6.029 3.810 -5.319) 8.897 7.532 ( -6.639 -2.420 2.958) 7.660 7.874 ( -1.529 -2.969 -2.057) 3.923 8.453 ( 0.526 -7.335 1.455) 7.496 8.521 ( 1.124 1.941 1.023) 2.465 8.833 ( -4.066 -3.296 -1.410) 5.421 9.538 ( 5.708 0.251 -3.516) 6.709 9.719 ( 0.562 8.824 4.285) 9.825 10.345 ( -4.902 7.939 5.388) 10.774 10.591 ( -0.939 10.390 -11.727) 15.696 11.228 ( -12.610 -1.631 -3.071) 13.081 11.799 ( 11.118 -0.239 -0.685) 11.142 12.261 ( 1.679 -6.740 5.195) 8.674 12.706 ( 7.230 1.934 -1.411) 7.616 12.886 ( -8.768 3.721 -2.620) 9.879 13.703 ( 3.911 -6.687 2.107) 8.028 16.365 ( 9.325 -7.726 6.130) 13.573 17.705 ( -1.806 -21.952 1.919) 22.110 18.910 ( -2.320 21.220 9.932) 23.544 19.664 ( -3.550 1.930 -11.351) 12.049 22.844 ( -1.271 2.477 1.455) 3.141 ======================= Grid point 71 (55/156) ======================= q-point: ( 0.51 -0.06 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 21.942 6.710 9.141) 24.699 2.200 ( -5.944 -21.476 0.518) 22.290 4.459 ( 6.841 -6.185 5.439) 10.707 5.225 ( -4.470 0.235 1.158) 4.624 5.345 ( -1.239 5.237 -5.709) 7.845 6.031 ( 5.828 -2.179 5.038) 8.006 6.740 ( 1.212 -7.379 -6.343) 9.806 6.796 ( 2.357 3.106 1.605) 4.216 7.049 ( -0.863 -1.918 2.230) 3.065 7.357 ( -3.088 -2.143 3.634) 5.228 7.643 ( -4.438 -1.077 -2.367) 5.143 7.843 ( 13.092 3.528 -5.131) 14.497 8.334 ( -8.868 -0.308 -5.360) 10.366 8.493 ( 3.584 -1.707 3.412) 5.234 8.855 ( 4.387 0.352 -0.376) 4.417 9.534 ( 6.875 -7.705 -1.947) 10.509 10.053 ( -14.269 9.822 8.585) 19.333 10.140 ( -9.842 13.842 -7.110) 18.413 10.869 ( -14.285 -3.635 -3.375) 15.121 10.939 ( 2.244 14.585 -5.307) 15.682 11.918 ( 4.794 -7.246 0.235) 8.691 12.236 ( 8.059 -4.056 -0.269) 9.027 12.649 ( -6.985 -2.917 1.959) 7.819 13.009 ( 2.342 8.443 -4.426) 9.817 13.628 ( 7.036 -10.756 4.128) 13.499 16.473 ( 19.956 -15.750 2.572) 25.553 17.338 ( 2.784 -7.496 7.107) 10.698 19.138 ( -8.523 7.664 19.600) 22.706 19.645 ( -6.957 8.966 -21.719) 24.505 22.858 ( -3.090 3.192 1.175) 4.595 ======================= Grid point 72 (56/156) ======================= q-point: ( 0.51 -0.06 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -11.305 -14.165 -2.582) 18.306 2.562 ( 18.758 5.702 7.019) 20.824 4.506 ( 5.951 -2.830 6.180) 9.034 5.108 ( -4.444 -0.430 -1.761) 4.800 5.403 ( -1.798 2.631 -4.291) 5.345 6.085 ( 1.716 -1.301 0.934) 2.347 6.558 ( -1.693 -4.893 -1.148) 5.304 6.903 ( 3.600 -1.697 1.532) 4.265 7.026 ( 0.762 0.594 3.606) 3.733 7.339 ( 1.936 0.197 2.491) 3.161 7.611 ( -0.501 2.695 0.426) 2.775 7.931 ( -2.454 -5.036 -4.231) 7.020 8.414 ( 2.082 8.457 -1.821) 8.898 8.581 ( 11.160 -2.234 -6.532) 13.123 8.868 ( -1.415 -2.086 4.423) 5.091 9.486 ( -6.196 -3.353 -0.167) 7.047 9.763 ( -4.776 3.021 -1.726) 5.909 10.372 ( -6.999 0.617 4.446) 8.315 10.501 ( -9.389 3.603 -6.378) 11.909 11.245 ( 0.833 9.386 -1.026) 9.479 11.761 ( 1.651 -10.051 1.037) 10.238 12.375 ( 7.631 -3.311 -4.108) 9.278 12.516 ( -3.671 5.543 2.758) 7.197 13.021 ( -5.328 -4.375 -0.540) 6.915 13.662 ( 8.168 -1.388 2.781) 8.740 16.442 ( 5.976 -9.501 -0.862) 11.257 17.605 ( 22.387 2.294 10.699) 24.918 18.910 ( -18.997 1.667 9.839) 21.459 19.702 ( -3.199 4.021 -14.309) 15.204 22.846 ( -2.536 1.310 1.185) 3.091 ======================= Grid point 73 (57/156) ======================= q-point: (-0.21 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 6.205 13.469 -21.916) 26.462 1.938 ( -6.234 -8.161 -22.334) 24.582 3.527 ( 0.344 -8.786 -39.901) 40.859 5.529 ( -0.222 -0.802 12.733) 12.761 5.532 ( 0.052 -1.388 13.159) 13.232 6.083 ( 0.899 6.461 -4.840) 8.122 6.821 ( 1.020 4.890 -3.105) 5.882 6.987 ( -2.739 4.526 -3.173) 6.169 7.093 ( 2.289 0.497 -1.449) 2.755 7.263 ( -1.360 0.607 0.233) 1.508 7.822 ( 4.154 6.610 -4.578) 9.050 7.940 ( -8.388 7.846 5.795) 12.864 8.387 ( 8.048 -2.938 2.324) 8.877 8.915 ( -2.766 -1.489 4.645) 5.607 9.125 ( -4.038 2.724 7.663) 9.080 9.236 ( 3.086 -11.903 6.064) 13.710 9.977 ( -3.875 8.700 11.599) 15.008 10.269 ( 6.959 -10.738 11.744) 17.368 10.658 ( -5.237 4.838 -4.045) 8.197 10.831 ( 1.931 -8.355 -2.437) 8.915 12.066 ( 0.129 -1.190 -2.315) 2.606 12.456 ( -0.136 7.780 3.503) 8.533 12.811 ( -5.042 2.107 -0.779) 5.520 12.859 ( 5.600 -1.666 -2.100) 6.209 13.670 ( -0.569 1.675 -7.889) 8.085 16.826 ( 2.815 4.692 -20.725) 21.435 17.538 ( -4.240 32.811 -14.230) 36.015 18.122 ( 0.743 -4.499 -7.757) 8.998 19.892 ( 0.767 -25.135 29.014) 38.394 22.464 ( 0.101 -5.505 -9.147) 10.676 ======================= Grid point 75 (58/156) ======================= q-point: (-0.21 -0.06 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -7.222 17.086 -9.560) 20.869 1.872 ( 13.216 -15.634 -15.528) 25.695 3.739 ( 3.933 1.943 -29.974) 30.293 5.434 ( -3.357 -3.033 8.094) 9.272 5.665 ( 2.945 4.649 11.845) 13.061 5.997 ( 1.939 -3.100 -0.481) 3.688 6.692 ( -5.448 -2.893 -2.646) 6.712 6.835 ( -7.611 -3.684 -9.314) 12.580 6.890 ( -10.659 0.715 -3.919) 11.379 7.237 ( 4.800 -2.492 -0.770) 5.463 7.635 ( -5.689 -1.202 3.295) 6.683 8.009 ( 5.784 5.716 -5.783) 9.978 8.497 ( 5.729 -9.295 4.906) 11.970 8.730 ( -10.922 -1.187 0.592) 11.002 9.002 ( -3.003 -2.639 7.546) 8.539 9.597 ( 9.339 3.294 2.937) 10.329 9.690 ( -13.271 3.605 0.946) 13.785 10.415 ( -1.948 -8.578 0.209) 8.799 10.698 ( 6.536 12.895 8.285) 16.663 11.137 ( 12.243 5.091 5.711) 14.437 11.957 ( -7.881 -5.001 -1.895) 9.524 12.343 ( -1.598 1.961 -1.102) 2.759 12.615 ( -3.637 -5.326 3.234) 7.215 13.094 ( 5.526 7.373 2.058) 9.441 13.507 ( -6.911 -6.249 -7.669) 12.068 16.561 ( -21.621 -20.998 -18.124) 35.169 16.833 ( 0.158 1.183 -15.444) 15.490 18.317 ( 6.382 4.527 -11.270) 13.720 20.438 ( 10.107 9.258 25.287) 28.763 22.631 ( 4.755 2.944 -5.677) 7.969 ======================= Grid point 76 (59/156) ======================= q-point: (-0.21 -0.06 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 5.234 -1.886 -8.813) 10.423 2.145 ( 10.904 9.265 10.501) 17.748 3.708 ( -2.305 -5.255 -22.052) 22.786 5.341 ( -0.850 -0.215 3.753) 3.854 5.723 ( -2.738 -2.015 3.489) 4.872 6.063 ( 10.752 -2.801 9.306) 14.493 6.489 ( -11.247 -1.461 -5.033) 12.409 6.606 ( 1.771 -1.612 -8.973) 9.287 6.884 ( -3.407 7.489 -2.714) 8.663 7.248 ( -2.122 0.493 0.790) 2.317 7.568 ( -0.173 -3.386 -3.334) 4.755 8.117 ( -5.197 0.230 0.871) 5.275 8.396 ( 9.743 -9.619 2.335) 13.889 8.537 ( -2.961 -1.369 -9.255) 9.814 8.728 ( -10.251 -5.788 5.620) 13.045 9.612 ( 2.073 3.479 1.090) 4.194 9.861 ( -3.333 8.552 -4.955) 10.431 10.220 ( -2.767 -3.433 -3.806) 5.825 11.063 ( -0.687 13.892 3.357) 14.309 11.443 ( 1.888 6.329 7.692) 10.138 11.739 ( -0.061 -2.972 3.531) 4.615 12.301 ( 1.662 -7.720 -0.487) 7.912 12.566 ( 2.658 3.764 5.013) 6.809 13.095 ( -15.434 -3.674 -5.052) 16.650 13.395 ( 9.062 -0.004 1.953) 9.270 15.825 ( -5.578 -19.552 -17.712) 26.965 16.895 ( 2.255 1.433 -8.713) 9.113 18.526 ( 4.322 3.242 -13.878) 14.893 20.715 ( 0.177 7.401 21.535) 22.772 22.737 ( 0.792 1.303 -6.265) 6.448 ======================= Grid point 77 (60/156) ======================= q-point: (-0.21 -0.06 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 2.633 -3.650 0.227) 4.507 2.445 ( 4.319 -0.344 17.281) 17.816 3.560 ( 1.422 -2.790 -22.109) 22.330 5.380 ( 1.879 0.631 4.964) 5.345 5.590 ( -2.026 -0.863 -4.286) 4.819 6.074 ( -5.351 -5.425 12.038) 14.247 6.416 ( 6.969 2.555 -2.473) 7.824 6.693 ( -0.884 0.803 -12.143) 12.202 6.965 ( -2.740 4.309 -2.267) 5.587 7.285 ( 6.195 2.522 -1.364) 6.826 7.431 ( -0.289 -3.517 -0.641) 3.587 7.949 ( -6.166 0.123 7.478) 9.693 8.372 ( -5.311 -2.336 -4.700) 7.467 8.530 ( 3.953 -0.650 -9.578) 10.382 8.611 ( 7.486 -0.745 2.072) 7.803 9.720 ( -3.611 0.971 15.436) 15.883 9.804 ( -4.321 2.106 -14.949) 15.703 10.191 ( -3.527 4.363 -11.306) 12.621 11.286 ( -0.120 10.085 -5.002) 11.258 11.518 ( -4.542 5.266 12.873) 14.631 11.730 ( -2.311 -1.852 4.732) 5.583 12.178 ( 2.743 -7.118 5.547) 9.432 12.699 ( -8.093 -3.226 -3.749) 9.485 12.830 ( 8.466 5.253 -0.970) 10.011 13.506 ( 2.521 -2.565 3.715) 5.171 15.505 ( 3.745 -8.019 -15.531) 17.876 16.988 ( 7.545 -2.422 -6.477) 10.234 18.608 ( 0.050 -0.346 -15.084) 15.088 20.784 ( -6.126 5.073 21.153) 22.599 22.743 ( -1.541 0.634 -8.108) 8.278 ======================= Grid point 79 (61/156) ======================= q-point: (-0.21 -0.06 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -9.986 -8.868 5.699) 14.520 2.388 ( 4.883 -10.485 0.489) 11.577 3.670 ( 3.473 3.621 -22.171) 22.732 5.385 ( 2.216 -1.160 2.052) 3.236 5.687 ( 0.120 7.196 1.245) 7.304 5.843 ( -4.269 -3.785 9.656) 11.215 6.541 ( -3.458 -1.314 -6.563) 7.534 6.684 ( 8.045 2.567 -7.381) 11.215 6.955 ( -2.501 2.035 -2.139) 3.869 7.383 ( 0.948 -4.859 -0.182) 4.954 7.611 ( 13.617 1.903 -1.464) 13.827 7.934 ( -7.406 10.712 7.331) 14.945 8.197 ( -4.732 -2.368 -7.666) 9.315 8.676 ( 9.090 1.119 -4.604) 10.251 8.820 ( 8.026 2.997 6.161) 10.552 9.548 ( -4.567 0.139 2.329) 5.129 9.865 ( -5.000 7.675 -0.463) 9.171 10.166 ( -4.036 0.557 -8.053) 9.025 11.315 ( -3.050 -8.960 8.024) 12.408 11.480 ( -9.930 -8.069 6.902) 14.538 11.650 ( 4.819 10.552 -2.106) 11.789 12.134 ( 0.564 0.952 3.503) 3.673 12.611 ( 0.724 1.912 -1.368) 2.460 13.104 ( 0.102 4.557 -2.177) 5.051 13.451 ( 4.462 -4.136 1.812) 6.348 15.654 ( 9.783 8.317 -16.708) 21.072 17.104 ( 11.224 -6.059 -7.759) 14.930 18.513 ( -4.282 -3.884 -14.811) 15.899 20.673 ( -9.819 0.730 22.222) 24.305 22.709 ( -2.533 0.001 -7.658) 8.066 ======================= Grid point 80 (62/156) ======================= q-point: (-0.21 -0.06 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -5.606 6.925 -8.763) 12.496 2.218 ( 3.675 -14.425 -14.064) 20.479 3.710 ( -2.159 -2.533 -30.360) 30.542 5.470 ( 4.146 0.908 6.615) 7.860 5.642 ( -6.334 -0.038 12.720) 14.210 5.887 ( 4.065 3.491 -0.538) 5.385 6.613 ( 2.331 8.873 -6.078) 11.005 6.887 ( 3.615 4.833 -9.635) 11.369 6.975 ( -2.058 4.081 -1.117) 4.705 7.294 ( 3.721 -6.181 0.155) 7.217 7.802 ( 4.908 -6.426 -1.715) 8.266 7.928 ( -7.481 7.638 4.979) 11.794 8.200 ( 3.707 3.631 -4.124) 6.628 8.912 ( 5.570 1.831 9.851) 11.464 8.969 ( 1.046 5.036 4.116) 6.588 9.561 ( -1.625 -4.097 1.415) 4.629 9.967 ( -0.595 10.490 6.154) 12.176 10.058 ( -1.481 -0.883 -2.658) 3.169 11.004 ( -3.317 -11.980 10.959) 16.572 11.027 ( -8.545 -11.730 2.514) 14.729 11.976 ( 5.162 6.448 -3.970) 9.164 12.253 ( 0.043 8.817 0.769) 8.850 12.721 ( 6.983 -0.374 -0.349) 7.002 12.965 ( -9.325 -1.255 2.001) 9.620 13.592 ( 4.752 2.331 -5.690) 7.772 16.254 ( 12.221 23.646 -17.794) 32.017 17.198 ( 9.004 -4.353 -15.293) 18.273 18.296 ( -5.301 -5.533 -10.843) 13.277 20.390 ( -9.844 -8.210 25.367) 28.421 22.614 ( -2.867 -3.695 -6.633) 8.116 ======================= Grid point 81 (63/156) ======================= q-point: ( 0.07 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 28.141 28.658 0.000) 40.164 0.695 ( -0.125 31.821 0.000) 31.822 0.937 ( -17.880 41.942 0.000) 45.594 5.801 ( -0.429 -11.851 -0.000) 11.859 5.926 ( 0.032 -1.709 -0.000) 1.710 6.270 ( -0.157 -2.280 -0.000) 2.285 6.287 ( 0.149 -0.870 -0.000) 0.882 6.657 ( -1.701 -4.655 -0.000) 4.956 6.840 ( 0.006 3.099 0.000) 3.099 7.005 ( 2.013 16.032 0.000) 16.158 7.395 ( 0.039 -1.074 -0.000) 1.075 8.142 ( 4.821 -4.372 -0.000) 6.508 8.404 ( -5.021 -4.740 0.000) 6.905 9.205 ( 4.178 -3.880 -0.000) 5.701 9.409 ( -0.548 -4.979 -0.000) 5.009 10.126 ( 0.656 -11.528 -0.000) 11.547 10.234 ( -1.025 -12.258 -0.000) 12.301 10.337 ( 0.966 -4.579 -0.000) 4.679 10.667 ( 0.204 10.569 0.000) 10.571 11.445 ( 0.018 12.413 0.000) 12.413 11.856 ( 3.364 -1.519 -0.000) 3.691 12.476 ( 6.058 1.453 -0.000) 6.230 12.708 ( -16.164 0.602 0.000) 16.175 13.291 ( -0.390 -6.485 -0.000) 6.497 14.070 ( 5.636 -2.277 -0.000) 6.079 14.713 ( -0.006 0.960 0.000) 0.961 16.062 ( 1.599 3.841 0.000) 4.161 17.838 ( 1.795 5.431 0.000) 5.719 21.294 ( 0.138 0.651 0.000) 0.666 22.727 ( -3.742 -3.886 -0.000) 5.395 ======================= Grid point 82 (64/156) ======================= q-point: ( 0.07 -0.07 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -10.669 31.536 0.000) 33.292 1.486 ( 12.478 24.407 0.000) 27.412 2.017 ( 29.834 24.883 -0.000) 38.848 5.478 ( -5.871 -7.320 -0.000) 9.383 5.867 ( -1.136 -2.263 -0.000) 2.532 6.156 ( -3.311 -3.394 -0.000) 4.742 6.290 ( 1.432 -1.189 -0.000) 1.862 6.579 ( 6.906 -8.078 -0.000) 10.628 6.933 ( 0.591 3.683 0.000) 3.730 7.376 ( 0.047 0.200 0.000) 0.205 7.444 ( 2.336 17.776 0.000) 17.929 8.009 ( -11.427 -4.289 0.000) 12.205 8.197 ( 4.109 -11.290 -0.000) 12.015 8.900 ( -16.399 -8.720 0.000) 18.573 9.292 ( -0.086 -3.970 -0.000) 3.971 9.711 ( -13.123 -15.403 -0.000) 20.235 9.915 ( -1.955 -5.437 -0.000) 5.778 10.348 ( 7.350 -5.835 -0.000) 9.385 10.970 ( 8.590 6.026 -0.000) 10.493 11.775 ( 3.058 12.120 0.000) 12.500 11.813 ( -0.523 -5.522 -0.000) 5.547 12.300 ( -15.507 -0.791 0.000) 15.527 12.711 ( 12.096 -2.459 -0.000) 12.343 13.049 ( -4.226 -8.119 -0.000) 9.153 13.971 ( -9.347 0.304 0.000) 9.352 14.748 ( 0.167 1.949 0.000) 1.956 16.447 ( 11.096 10.413 -0.000) 15.217 17.961 ( -3.169 7.484 0.000) 8.128 21.353 ( 4.307 0.975 -0.000) 4.416 22.529 ( -0.397 -9.458 -0.000) 9.467 ======================= Grid point 83 (65/156) ======================= q-point: ( 0.07 -0.07 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -7.215 17.475 0.000) 18.905 2.162 ( 9.693 14.538 0.000) 17.473 2.945 ( 17.900 12.255 -0.000) 21.693 5.350 ( -1.165 2.939 0.000) 3.161 5.799 ( -1.656 -1.075 0.000) 1.974 6.016 ( -2.617 -2.984 -0.000) 3.969 6.292 ( 1.333 -1.352 -0.000) 1.899 6.625 ( 12.732 -7.122 -0.000) 14.589 6.981 ( -1.763 1.927 0.000) 2.612 7.436 ( 1.457 3.322 0.000) 3.627 7.539 ( -14.893 -9.806 0.000) 17.831 7.813 ( -1.889 15.220 0.000) 15.337 8.060 ( 1.703 -6.831 -0.000) 7.040 8.338 ( -17.453 -7.156 0.000) 18.863 9.152 ( -9.342 -11.837 -0.000) 15.079 9.253 ( 3.184 -2.524 -0.000) 4.063 9.809 ( 0.809 -3.813 -0.000) 3.898 10.376 ( 7.405 -6.558 -0.000) 9.892 11.132 ( -3.239 -0.333 0.000) 3.256 11.691 ( 10.296 -10.693 -0.000) 14.844 12.033 ( 0.649 7.686 0.000) 7.714 12.098 ( -9.200 7.167 0.000) 11.662 12.684 ( 4.429 -13.521 -0.000) 14.228 13.018 ( 3.286 3.691 0.000) 4.942 13.770 ( -10.766 1.936 0.000) 10.938 14.792 ( -0.574 2.298 0.000) 2.369 16.759 ( -3.506 9.291 0.000) 9.931 18.058 ( -0.398 5.770 0.000) 5.784 21.503 ( 8.493 -1.471 -0.000) 8.619 22.339 ( 0.757 -7.216 -0.000) 7.255 ======================= Grid point 84 (66/156) ======================= q-point: ( 0.07 -0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -7.771 -1.217 0.000) 7.866 2.443 ( -1.409 2.043 0.000) 2.481 3.277 ( 2.562 -1.511 -0.000) 2.974 5.453 ( -3.886 7.176 0.000) 8.161 5.756 ( -0.817 -0.103 0.000) 0.824 5.956 ( 0.392 0.126 -0.000) 0.412 6.292 ( 1.348 -1.357 -0.000) 1.913 6.781 ( 13.913 -6.925 -0.000) 15.541 6.973 ( -2.041 1.893 0.000) 2.784 7.174 ( -2.977 -0.926 0.000) 3.117 7.500 ( -1.266 0.614 0.000) 1.407 7.842 ( -8.324 1.849 0.000) 8.527 7.914 ( -6.003 -6.757 -0.000) 9.038 8.191 ( 0.831 13.126 0.000) 13.152 8.919 ( 1.296 0.075 -0.000) 1.298 9.283 ( 3.376 -2.544 -0.000) 4.227 9.760 ( 3.438 -5.657 -0.000) 6.620 10.380 ( 7.221 -7.650 -0.000) 10.520 10.969 ( -0.601 -4.643 -0.000) 4.681 11.754 ( 9.016 -6.735 -0.000) 11.254 12.121 ( -3.120 2.959 0.000) 4.299 12.121 ( -7.700 9.201 0.000) 11.998 12.611 ( 10.549 -5.498 -0.000) 11.896 13.148 ( 0.329 4.916 0.000) 4.927 13.599 ( -8.247 0.541 0.000) 8.265 14.813 ( -1.699 1.755 0.000) 2.442 16.742 ( -8.141 3.117 0.000) 8.717 18.149 ( -2.186 3.571 0.000) 4.187 21.554 ( 7.373 -10.608 -0.000) 12.918 22.331 ( 1.883 4.336 0.000) 4.728 ======================= Grid point 86 (67/156) ======================= q-point: ( 0.07 -0.07 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -11.657 -11.120 0.000) 16.111 2.180 ( -15.126 -8.884 0.000) 17.543 3.008 ( -13.131 -12.702 0.000) 18.269 5.440 ( -5.670 4.541 0.000) 7.264 5.778 ( 1.984 0.961 -0.000) 2.204 6.027 ( 2.488 2.952 0.000) 3.860 6.292 ( 1.351 -1.388 -0.000) 1.937 6.790 ( 3.544 -9.731 -0.000) 10.356 6.977 ( -1.796 1.647 0.000) 2.437 7.364 ( 8.230 4.546 -0.000) 9.402 7.420 ( -2.628 -2.146 0.000) 3.393 7.717 ( -6.536 3.457 0.000) 7.393 7.930 ( 11.154 4.218 -0.000) 11.925 8.504 ( 0.141 14.867 0.000) 14.867 9.192 ( 10.392 11.402 0.000) 15.427 9.268 ( 1.730 -3.372 -0.000) 3.790 9.727 ( 5.650 -4.870 -0.000) 7.459 10.359 ( 7.064 -8.496 -0.000) 11.049 10.966 ( 6.972 -4.930 -0.000) 8.539 11.741 ( 2.897 -5.201 -0.000) 5.954 12.028 ( -7.557 -0.860 0.000) 7.606 12.179 ( -3.403 8.821 0.000) 9.455 12.840 ( 7.767 4.974 -0.000) 9.223 13.286 ( -6.659 12.494 0.000) 14.158 13.431 ( 3.549 -8.228 -0.000) 8.961 14.794 ( -2.348 0.645 0.000) 2.435 16.594 ( -4.556 -4.538 0.000) 6.430 18.090 ( -7.432 1.188 0.000) 7.526 21.428 ( 3.476 -9.926 -0.000) 10.517 22.526 ( 2.977 6.777 0.000) 7.402 ======================= Grid point 87 (68/156) ======================= q-point: ( 0.07 -0.07 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -19.908 0.946 0.000) 19.930 1.498 ( -25.055 -12.480 0.000) 27.992 2.184 ( -29.470 -20.988 0.000) 36.180 5.528 ( 4.368 5.697 0.000) 7.179 5.860 ( 2.807 1.227 -0.000) 3.064 6.161 ( 3.121 3.348 0.000) 4.577 6.288 ( 1.247 -1.521 -0.000) 1.967 6.658 ( 4.912 -8.535 -0.000) 9.848 6.932 ( -3.582 -0.570 0.000) 3.627 7.336 ( -12.212 -0.656 0.000) 12.230 7.369 ( 0.320 -0.005 -0.000) 0.320 7.870 ( 8.322 5.414 -0.000) 9.928 8.316 ( 9.041 3.394 -0.000) 9.657 8.862 ( 5.097 14.025 0.000) 14.922 9.279 ( 5.040 -0.879 -0.000) 5.116 9.744 ( 13.604 13.855 0.000) 19.417 9.850 ( 8.777 1.939 -0.000) 8.988 10.327 ( 6.868 -8.160 -0.000) 10.665 10.909 ( -1.005 -7.619 -0.000) 7.685 11.742 ( 3.315 0.074 -0.000) 3.316 11.772 ( -11.934 -3.042 0.000) 12.315 12.339 ( 0.049 7.783 0.000) 7.783 13.052 ( -1.602 -0.429 0.000) 1.658 13.131 ( -2.557 -0.071 0.000) 2.558 13.702 ( 10.093 9.906 -0.000) 14.142 14.749 ( -2.010 -0.172 0.000) 2.017 16.327 ( -4.145 -11.350 -0.000) 12.083 17.937 ( -8.248 1.610 0.000) 8.404 21.325 ( 0.793 -3.711 -0.000) 3.795 22.689 ( 3.278 1.527 -0.000) 3.616 ======================= Grid point 89 (69/156) ======================= q-point: ( 0.35 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -6.322 11.678 -6.075) 14.603 2.434 ( 8.256 12.056 12.664) 19.337 3.754 ( -1.750 1.078 26.599) 26.679 5.410 ( 2.368 -4.669 -5.490) 7.586 5.637 ( -3.107 2.719 -9.793) 10.628 6.028 ( -5.722 4.485 -1.725) 7.472 6.476 ( -1.234 -6.425 4.775) 8.100 6.783 ( 3.084 -4.053 9.758) 11.007 6.819 ( 3.253 -4.756 3.909) 6.963 7.433 ( 5.429 4.153 1.332) 6.964 7.556 ( 2.094 -6.130 -4.162) 7.700 8.013 ( -1.919 2.838 0.558) 3.471 8.393 ( -12.654 -2.629 6.969) 14.684 8.777 ( 5.394 -3.288 -8.503) 10.593 9.005 ( -1.184 2.093 -4.651) 5.236 9.425 ( 7.166 -10.993 0.417) 13.130 9.696 ( -0.520 -3.496 0.243) 3.543 10.108 ( -7.589 -7.826 3.410) 11.423 10.945 ( 10.191 5.109 -7.318) 13.546 11.283 ( -1.124 5.646 -6.728) 8.854 11.819 ( -0.439 -9.468 1.262) 9.562 12.268 ( -5.169 5.384 -3.225) 8.131 12.653 ( 2.524 -7.822 1.489) 8.353 12.967 ( -1.427 1.417 -2.266) 3.030 13.582 ( 2.244 1.571 4.800) 5.527 16.143 ( -9.090 -10.756 13.855) 19.756 17.256 ( 12.820 8.238 21.609) 26.441 18.387 ( -1.733 6.580 5.004) 8.447 20.397 ( -2.463 -1.177 -21.370) 21.544 22.653 ( -1.051 0.876 5.846) 6.004 ======================= Grid point 90 (70/156) ======================= q-point: ( 0.35 -0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 2.037 22.112 -11.488) 25.001 2.670 ( -3.991 6.308 3.350) 8.181 3.728 ( -3.679 2.345 23.355) 23.759 5.393 ( 2.744 -0.417 -3.903) 4.789 5.605 ( -3.696 -1.609 -9.252) 10.092 5.992 ( -4.687 6.630 3.280) 8.757 6.512 ( 4.810 3.208 3.336) 6.675 6.702 ( -2.360 -4.384 2.533) 5.586 6.809 ( 3.789 -3.274 7.462) 8.986 7.460 ( -0.674 -2.841 -2.041) 3.563 7.601 ( 5.956 -2.074 -0.407) 6.320 7.947 ( -16.515 -1.437 1.882) 16.683 8.103 ( 3.853 -2.209 1.528) 4.696 8.740 ( -0.615 -1.745 -0.229) 1.865 8.961 ( -6.482 -1.624 -1.204) 6.790 9.460 ( 9.797 -5.872 6.907) 13.348 9.505 ( 1.261 -4.376 -5.102) 6.839 9.978 ( 3.726 -5.301 9.737) 11.696 11.183 ( 10.621 -8.633 -2.799) 13.970 11.299 ( 2.714 -4.001 -17.390) 18.050 11.597 ( -1.903 -4.260 7.635) 8.948 12.329 ( -2.782 1.922 -3.521) 4.882 12.494 ( -0.603 0.895 1.098) 1.539 13.054 ( 1.469 0.103 0.042) 1.473 13.637 ( -3.145 5.605 0.923) 6.493 15.868 ( -10.392 4.948 17.197) 20.693 17.511 ( -8.333 9.876 9.820) 16.230 18.526 ( 2.438 5.043 7.607) 9.447 20.339 ( 8.830 -9.787 -18.690) 22.871 22.639 ( 1.737 -2.226 7.318) 7.844 ======================= Grid point 91 (71/156) ======================= q-point: ( 0.35 -0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -10.031 11.434 1.553) 15.289 2.623 ( -7.872 2.772 -12.116) 14.712 3.730 ( -4.285 6.675 23.026) 24.354 5.420 ( -5.002 -2.900 -6.765) 8.899 5.533 ( 5.436 3.418 -4.964) 8.116 6.162 ( 2.284 9.340 4.107) 10.456 6.509 ( -6.650 -4.115 0.185) 7.823 6.647 ( 1.656 -0.098 0.889) 1.882 6.786 ( 2.060 -5.802 7.602) 9.783 7.356 ( -7.113 -7.383 4.053) 11.024 7.512 ( 0.380 5.518 0.454) 5.549 7.842 ( 3.789 1.954 -3.461) 5.491 8.241 ( 8.934 0.803 -1.118) 9.039 8.647 ( -5.841 -0.778 3.379) 6.793 8.828 ( -4.104 3.269 1.950) 5.597 9.514 ( 6.671 -9.206 -2.520) 11.645 9.538 ( 10.556 -6.568 8.226) 14.908 10.012 ( 3.811 1.787 12.065) 12.778 10.968 ( 0.551 -14.945 1.393) 15.020 11.289 ( 4.852 -4.465 -22.884) 23.815 11.639 ( 7.271 -2.617 5.186) 9.307 12.263 ( 4.624 -4.416 1.524) 6.573 12.669 ( 0.600 10.302 -0.168) 10.320 12.948 ( -8.161 -2.513 -2.407) 8.872 13.685 ( -4.564 5.189 0.546) 6.932 15.887 ( -7.005 13.086 19.747) 24.704 17.393 ( -18.199 8.656 3.560) 20.465 18.638 ( -0.597 2.073 9.578) 9.818 20.358 ( 14.480 -12.313 -17.511) 25.844 22.647 ( 3.841 -2.670 7.102) 8.504 ======================= Grid point 93 (72/156) ======================= q-point: ( 0.35 -0.08 -0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -17.180 -3.911 -6.114) 18.650 2.497 ( -12.590 8.139 1.952) 15.118 3.786 ( -1.790 2.626 23.405) 23.619 5.326 ( 0.301 -0.273 -6.059) 6.073 5.696 ( 2.177 0.715 -7.297) 7.648 6.261 ( -7.488 -2.872 -0.351) 8.028 6.389 ( 3.014 2.095 2.024) 4.191 6.646 ( 2.746 0.869 6.279) 6.908 6.698 ( 0.202 -0.825 4.666) 4.743 7.254 ( 1.501 3.388 1.461) 3.983 7.616 ( -0.855 -0.107 1.847) 2.038 7.982 ( 5.617 0.165 -4.283) 7.066 8.440 ( 5.341 -1.024 10.288) 11.637 8.644 ( 4.104 3.148 -7.073) 8.763 8.879 ( -4.614 12.873 0.083) 13.676 9.352 ( 4.590 -14.536 0.706) 15.259 9.629 ( 7.049 -3.030 7.589) 10.792 10.111 ( 4.985 -4.147 5.841) 8.727 10.816 ( 4.309 -1.602 0.187) 4.601 11.309 ( 4.088 -2.929 -18.632) 19.298 11.714 ( 4.848 -2.000 3.645) 6.387 12.367 ( 7.074 0.415 3.356) 7.841 12.651 ( -11.169 -3.717 -7.296) 13.849 12.892 ( 4.393 4.409 0.249) 6.229 13.636 ( -7.363 2.984 2.340) 8.282 16.056 ( 0.533 6.907 18.479) 19.735 17.222 ( -15.748 11.742 10.502) 22.275 18.572 ( -5.088 -1.975 6.884) 8.785 20.401 ( 10.768 -9.540 -18.020) 23.058 22.670 ( 2.904 -2.464 5.883) 7.008 ======================= Grid point 97 (73/156) ======================= q-point: (-0.37 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 5.051 27.775 -8.790) 29.568 2.730 ( -4.697 -4.312 -8.596) 10.703 4.643 ( 0.606 3.714 -9.906) 10.597 5.111 ( -1.996 2.029 4.973) 5.730 5.283 ( 1.636 -4.231 1.246) 4.704 6.150 ( 1.725 5.707 -4.104) 7.238 6.711 ( -0.483 8.804 3.240) 9.394 6.946 ( -0.547 0.508 4.714) 4.773 7.105 ( 1.419 -0.320 -4.186) 4.431 7.314 ( -3.009 -7.497 1.616) 8.238 7.526 ( -2.211 4.100 1.385) 4.859 7.963 ( 5.433 1.680 4.179) 7.057 8.293 ( -3.580 -9.631 3.599) 10.887 8.743 ( 9.439 1.554 -5.965) 11.273 8.822 ( -4.290 2.698 4.852) 7.016 9.371 ( -3.726 -0.407 4.784) 6.077 9.733 ( -1.580 -7.258 -3.220) 8.096 10.096 ( 3.024 -18.706 8.445) 20.746 10.491 ( -1.563 14.250 1.705) 14.436 11.018 ( 0.555 -8.150 1.914) 8.390 12.012 ( -0.352 6.610 3.951) 7.709 12.314 ( 1.075 -8.230 0.665) 8.326 12.655 ( -6.019 8.896 1.006) 10.788 12.942 ( 6.043 1.306 -1.477) 6.356 13.853 ( -1.235 4.915 -3.387) 6.096 16.854 ( 2.233 25.528 -2.459) 25.744 18.004 ( -5.543 -1.377 -12.321) 13.580 18.502 ( 2.954 -2.974 -4.927) 6.469 19.445 ( 0.609 -15.600 10.920) 19.051 22.761 ( 0.038 -3.481 -1.117) 3.656 ======================= Grid point 98 (74/156) ======================= q-point: (-0.37 -0.08 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -20.691 0.437 -12.220) 24.034 2.495 ( 4.875 15.306 -9.196) 18.510 4.670 ( -2.556 2.087 -10.683) 11.181 5.164 ( 2.256 1.698 1.275) 3.098 5.220 ( 0.413 -4.065 3.305) 5.255 6.233 ( -5.759 4.364 -4.758) 8.652 6.864 ( -3.413 2.320 2.227) 4.689 6.909 ( -1.722 4.582 7.632) 9.066 7.075 ( -1.525 -2.460 -1.481) 3.251 7.218 ( 6.427 -3.372 -0.093) 7.259 7.641 ( 0.624 7.485 4.322) 8.665 7.948 ( -8.193 -7.261 2.904) 11.327 8.146 ( 8.778 -0.199 4.182) 9.725 8.713 ( -8.907 4.251 1.322) 9.958 8.900 ( -0.744 1.036 2.645) 2.937 9.475 ( 16.020 -7.699 -11.932) 21.408 9.610 ( 9.670 -11.705 9.784) 18.062 9.775 ( -0.351 -2.676 10.685) 11.021 10.780 ( -3.191 3.194 3.209) 5.539 10.871 ( -1.522 1.449 -1.553) 2.613 12.067 ( -0.777 0.815 7.535) 7.619 12.192 ( 6.061 -6.066 4.062) 9.489 12.789 ( -3.867 9.785 -2.549) 10.826 12.959 ( -3.375 -3.187 -0.969) 4.742 13.900 ( -3.224 4.143 -3.826) 6.496 17.362 ( -26.721 18.607 2.191) 32.635 17.625 ( -3.072 12.799 -14.024) 19.234 18.728 ( 9.594 -10.997 -15.152) 21.037 19.153 ( 15.048 -15.417 17.133) 27.526 22.720 ( 2.840 -2.863 -1.215) 4.212 ======================= Grid point 101 (75/156) ======================= q-point: (-0.37 -0.08 0.66) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 10.066 10.042 10.373) 17.600 2.212 ( 2.593 -22.529 -2.806) 22.851 4.335 ( 1.920 -7.592 -6.635) 10.264 5.247 ( 1.134 6.363 -0.943) 6.532 5.421 ( -3.616 0.115 5.488) 6.573 6.027 ( 3.405 -4.448 2.940) 6.326 6.557 ( 0.562 -0.474 -4.972) 5.026 6.824 ( -2.110 4.054 -0.941) 4.666 7.096 ( -0.060 0.042 -1.993) 1.994 7.374 ( 8.533 2.461 -6.807) 11.189 7.505 ( -4.858 -5.146 1.999) 7.354 7.800 ( -3.228 -6.784 3.314) 8.211 8.351 ( -3.781 -2.712 1.062) 4.773 8.634 ( 6.251 3.154 2.365) 7.390 8.739 ( -2.664 -2.817 -1.370) 4.112 9.415 ( 2.013 -5.942 1.975) 6.578 10.130 ( -2.972 19.631 -4.536) 20.366 10.471 ( -5.826 2.309 -2.434) 6.723 10.803 ( -1.644 18.358 0.119) 18.432 11.136 ( -13.390 0.656 -0.403) 13.412 11.757 ( 7.972 -2.591 -0.612) 8.405 12.163 ( 3.190 -11.264 4.502) 12.543 12.755 ( 6.265 4.903 -0.816) 7.998 12.918 ( -11.099 3.972 -3.683) 12.350 13.529 ( 7.408 -10.834 1.354) 13.194 16.185 ( 6.834 -14.792 -1.469) 16.360 17.313 ( 3.373 -9.358 -3.486) 10.541 19.260 ( 0.196 10.592 -17.785) 20.702 19.757 ( -6.044 4.636 19.801) 21.215 22.905 ( -1.606 3.041 -1.710) 3.841 ======================= Grid point 102 (76/156) ======================= q-point: (-0.37 -0.08 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -7.793 -17.631 -0.326) 19.279 2.252 ( 20.704 4.226 7.648) 22.473 4.316 ( 6.473 -2.207 -8.024) 10.543 5.287 ( -5.693 -0.575 3.040) 6.479 5.370 ( -1.000 2.869 0.792) 3.140 6.022 ( 4.710 -5.377 -0.171) 7.151 6.555 ( -0.280 1.136 -2.317) 2.596 6.886 ( -1.077 0.800 0.331) 1.382 7.063 ( -1.983 1.728 -1.433) 2.995 7.365 ( 0.798 0.469 2.582) 2.743 7.610 ( -0.596 -2.159 1.326) 2.603 7.745 ( 13.980 -0.911 -5.275) 14.969 8.278 ( -3.186 4.192 -2.274) 5.736 8.583 ( -3.640 0.551 4.872) 6.106 8.844 ( 5.735 -3.099 -0.567) 6.544 9.371 ( 4.641 -2.674 -0.734) 5.406 10.093 ( -19.861 2.578 -6.734) 21.129 10.499 ( -3.839 6.406 -2.149) 7.771 10.789 ( -15.478 5.139 4.197) 16.840 11.230 ( 0.012 12.639 2.499) 12.884 11.746 ( 2.734 -8.486 0.189) 8.918 12.111 ( 9.075 -5.214 -0.474) 10.477 12.670 ( -7.282 2.342 -0.686) 7.680 13.066 ( 0.422 2.949 -1.783) 3.472 13.492 ( 10.195 -6.476 2.118) 12.262 16.138 ( 12.429 -8.330 -6.056) 16.141 17.362 ( 12.055 -1.926 1.333) 12.281 19.290 ( -9.701 0.209 -18.258) 20.677 19.715 ( -6.250 5.239 19.020) 20.695 22.903 ( -3.125 1.537 -1.932) 3.982 ======================= Grid point 104 (77/156) ======================= q-point: (-0.09 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 0.000 0.000 -28.803) 28.803 1.296 ( 0.000 0.000 -28.803) 28.803 2.408 ( 0.000 0.000 -52.820) 52.820 5.819 ( -0.000 -0.000 15.325) 15.325 5.819 ( -0.000 -0.000 15.325) 15.325 6.066 ( 0.000 0.000 -4.344) 4.344 6.834 ( 0.000 0.000 -1.617) 1.617 6.957 ( 0.000 0.000 -6.619) 6.619 6.957 ( 0.000 0.000 -6.619) 6.619 7.290 ( -0.000 -0.000 1.473) 1.473 8.118 ( -0.000 -0.000 3.385) 3.385 8.118 ( -0.000 -0.000 3.385) 3.385 8.415 ( -0.000 -0.000 2.663) 2.663 8.694 ( 0.000 0.000 -0.650) 0.650 9.312 ( -0.000 -0.000 6.268) 6.268 9.312 ( -0.000 -0.000 6.268) 6.268 10.300 ( -0.000 -0.000 6.193) 6.193 10.551 ( -0.000 -0.000 24.736) 24.736 10.576 ( 0.000 0.000 -7.506) 7.506 10.576 ( 0.000 0.000 -7.506) 7.506 12.018 ( 0.000 0.000 -2.021) 2.021 12.588 ( 0.000 0.000 -1.269) 1.269 12.775 ( 0.000 0.000 -2.962) 2.962 12.775 ( 0.000 0.000 -2.962) 2.962 13.523 ( 0.000 0.000 -7.034) 7.034 16.420 ( 0.000 0.000 -18.228) 18.228 17.918 ( 0.000 0.000 -6.405) 6.405 17.918 ( 0.000 0.000 -6.405) 6.405 20.090 ( -0.000 -0.000 29.661) 29.661 22.115 ( 0.000 0.000 -16.193) 16.193 ======================= Grid point 106 (78/156) ======================= q-point: (-0.09 -0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 8.556 7.865 -9.187) 14.814 2.007 ( 9.943 19.478 -3.768) 22.191 3.196 ( 6.099 3.398 -25.963) 26.885 5.415 ( -3.248 -4.595 -0.857) 5.691 5.892 ( -4.879 -5.521 5.665) 9.294 6.042 ( 6.850 0.836 7.557) 10.234 6.413 ( -0.528 -5.244 -9.001) 10.431 6.600 ( -3.344 -1.732 -2.245) 4.384 6.950 ( -3.758 2.077 -0.695) 4.350 7.259 ( 0.281 5.525 0.939) 5.612 7.631 ( -8.556 -1.325 -0.902) 8.705 7.941 ( 3.908 2.318 -8.459) 9.602 8.301 ( 5.033 -11.842 0.318) 12.871 8.630 ( -14.581 -5.222 -3.893) 15.970 9.088 ( -7.623 -5.387 8.473) 12.606 9.537 ( -2.047 -4.961 -3.629) 6.479 9.877 ( -3.006 6.596 -1.263) 7.358 10.266 ( 2.024 -7.458 5.269) 9.353 11.111 ( 1.565 12.812 1.355) 12.978 11.476 ( 8.706 9.070 10.090) 16.120 11.833 ( -2.380 -5.007 1.384) 5.714 12.219 ( -0.796 -5.731 -3.120) 6.574 12.721 ( 0.508 -1.857 9.066) 9.268 13.135 ( 5.225 -4.578 -4.347) 8.195 13.384 ( -6.666 6.132 1.921) 9.259 15.551 ( -10.119 -18.588 -23.855) 31.890 16.784 ( -5.536 7.982 -8.491) 12.901 18.166 ( 4.760 3.696 -10.004) 11.679 21.069 ( 5.945 4.547 19.221) 20.626 22.566 ( 3.593 -0.441 -4.690) 5.924 ======================= Grid point 107 (79/156) ======================= q-point: (-0.09 -0.09 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 1.909 7.055 -5.117) 8.922 2.633 ( 12.456 13.389 9.010) 20.386 3.161 ( -4.826 -6.432 -16.276) 18.154 5.396 ( 2.796 2.886 -0.465) 4.045 5.616 ( -5.351 -7.419 3.408) 9.761 6.191 ( 5.025 -0.270 -5.054) 7.132 6.442 ( 3.601 0.792 -7.166) 8.059 6.506 ( -4.553 1.399 13.776) 14.576 6.962 ( 0.662 1.316 -1.471) 2.082 7.318 ( -9.095 -2.112 -0.890) 9.379 7.378 ( 0.947 0.034 -1.954) 2.172 8.089 ( 0.526 3.335 -4.819) 5.884 8.178 ( 5.142 -7.322 -5.254) 10.376 8.305 ( -6.638 -1.675 -9.715) 11.885 8.760 ( -6.772 -4.445 7.714) 11.186 9.542 ( 2.292 0.395 -10.060) 10.325 9.977 ( 0.813 4.604 -3.913) 6.097 10.137 ( -1.323 -4.972 9.299) 10.627 11.211 ( -4.911 2.643 -6.538) 8.593 11.732 ( 2.474 2.936 6.942) 7.933 11.844 ( 4.593 1.802 7.284) 8.798 12.148 ( 0.901 -1.873 -3.411) 3.994 12.719 ( 6.105 -3.576 5.156) 8.754 12.912 ( -10.532 -2.454 1.930) 10.985 13.513 ( 1.838 3.462 1.921) 4.365 15.162 ( -2.811 -5.826 -16.162) 17.409 16.807 ( -2.775 2.770 -5.613) 6.846 18.311 ( 2.439 1.589 -10.605) 10.998 21.233 ( 2.227 2.154 17.567) 17.838 22.570 ( 0.701 -1.691 -8.832) 9.019 ======================= Grid point 111 (80/156) ======================= q-point: ( 0.19 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 4.305 26.314 -2.203) 26.755 1.444 ( 8.165 24.766 12.526) 28.930 2.203 ( -5.868 23.614 33.742) 41.600 5.577 ( -1.421 -8.568 0.779) 8.720 6.082 ( -0.903 -6.002 -0.897) 6.136 6.139 ( -0.634 -2.422 -2.636) 3.636 6.242 ( 0.161 -4.695 11.189) 12.135 6.575 ( -3.934 -8.696 3.555) 10.185 6.860 ( 3.641 3.267 -3.963) 6.296 7.301 ( 2.162 5.376 -1.445) 5.972 7.550 ( 0.373 9.584 9.352) 13.396 7.982 ( 6.967 -7.545 -2.867) 10.663 8.297 ( -8.274 -5.777 2.001) 10.287 9.064 ( 2.578 -7.768 -0.438) 8.196 9.258 ( 1.595 -4.511 -3.304) 5.815 9.777 ( -1.781 -10.917 -6.788) 12.978 9.958 ( 7.299 -9.098 -2.910) 12.021 10.203 ( -5.326 -9.555 1.499) 11.042 10.832 ( 3.373 6.156 0.687) 7.053 11.563 ( -0.007 15.587 -13.476) 20.604 11.842 ( 1.719 -6.231 3.670) 7.433 12.529 ( 6.818 0.555 -0.296) 6.847 12.693 ( -18.692 0.712 -4.191) 19.169 13.070 ( -2.122 -2.663 -5.247) 6.256 13.536 ( 8.308 6.358 -14.304) 17.721 15.514 ( -4.226 -22.301 43.003) 48.626 16.311 ( 8.177 10.137 9.773) 16.282 18.025 ( 1.222 8.370 3.110) 9.013 21.196 ( -0.178 -1.018 -10.864) 10.913 22.501 ( -4.757 2.400 -6.512) 8.414 ======================= Grid point 112 (81/156) ======================= q-point: ( 0.19 -0.10 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -3.396 23.467 -5.667) 24.379 2.110 ( 7.307 20.397 8.137) 23.144 2.672 ( 12.373 11.102 18.485) 24.861 5.410 ( -4.044 1.427 -0.311) 4.300 5.898 ( -2.945 -4.869 5.153) 7.676 6.061 ( -1.503 -2.458 -5.363) 6.088 6.228 ( 2.194 -1.336 1.716) 3.089 6.457 ( 4.892 -4.140 4.437) 7.794 6.955 ( -0.247 2.077 -5.010) 5.430 7.407 ( 0.809 3.311 0.211) 3.415 7.822 ( 2.356 1.643 6.019) 6.670 7.923 ( -13.619 1.211 0.125) 13.673 7.947 ( 4.573 -7.201 -2.082) 8.781 8.731 ( -11.167 -8.441 2.644) 14.246 9.222 ( -0.475 -2.928 -0.886) 3.095 9.347 ( -8.262 -13.763 -0.542) 16.061 9.832 ( 0.279 -7.240 4.376) 8.464 10.084 ( 10.878 -10.988 -7.355) 17.122 11.099 ( 11.796 1.761 4.741) 12.834 11.594 ( -1.328 -15.477 2.371) 15.714 11.885 ( 0.765 11.848 -11.806) 16.743 12.389 ( -13.651 5.580 0.619) 14.761 12.590 ( 3.236 -8.479 -1.976) 9.288 12.995 ( 0.861 1.681 1.504) 2.414 13.732 ( -0.346 3.098 -13.087) 13.453 15.095 ( -7.509 -3.318 21.079) 22.621 16.809 ( 6.129 14.281 7.878) 17.423 18.160 ( -4.379 7.904 2.923) 9.497 21.198 ( 8.280 -6.805 -10.362) 14.908 22.390 ( -1.703 -3.570 3.826) 5.503 ======================= Grid point 113 (82/156) ======================= q-point: ( 0.19 -0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -11.484 6.887 2.264) 13.581 2.604 ( 3.686 11.341 14.727) 18.949 3.046 ( 7.832 1.902 -5.049) 9.511 5.503 ( -1.302 10.617 -1.662) 10.825 5.751 ( -4.803 -1.576 -3.741) 6.289 5.998 ( 1.126 -2.070 2.484) 3.424 6.263 ( 3.058 -1.050 2.166) 3.891 6.554 ( 9.405 -2.643 5.203) 11.069 6.965 ( -2.937 2.524 -6.412) 7.491 7.358 ( -11.067 -7.438 2.942) 13.655 7.470 ( -1.755 -0.617 -2.395) 3.033 7.904 ( 4.627 -4.800 2.791) 7.228 8.149 ( 1.236 7.172 0.894) 7.332 8.349 ( -15.274 3.874 5.995) 16.860 8.904 ( -5.042 -6.616 -3.544) 9.042 9.250 ( 4.931 -3.299 5.999) 8.437 9.725 ( 4.576 -8.239 5.134) 10.733 10.083 ( 11.370 -11.229 -7.776) 17.772 11.098 ( -5.141 -9.772 5.472) 12.323 11.481 ( 16.632 -7.404 1.281) 18.251 12.084 ( -0.919 5.801 -9.276) 10.979 12.345 ( -10.541 10.496 1.191) 14.923 12.416 ( 7.250 -10.371 1.356) 12.726 13.096 ( 0.477 3.560 -2.466) 4.357 13.711 ( -4.914 1.389 -5.478) 7.489 14.988 ( -4.756 3.796 11.720) 13.205 17.014 ( -11.890 10.359 3.507) 16.155 18.240 ( -2.788 7.050 3.766) 8.465 21.225 ( 13.209 -13.146 -9.193) 20.780 22.353 ( 1.999 0.495 6.143) 6.478 ======================= Grid point 114 (83/156) ======================= q-point: ( 0.19 -0.10 -0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -16.030 1.099 5.386) 16.947 2.610 ( -11.234 -3.736 13.411) 17.889 3.106 ( -0.383 -3.858 -4.678) 6.076 5.554 ( -7.780 2.162 -4.534) 9.261 5.760 ( 1.320 6.163 -1.007) 6.383 6.029 ( 2.234 1.110 4.933) 5.528 6.265 ( 1.585 -3.512 1.960) 4.323 6.655 ( 8.157 -8.152 2.731) 11.851 6.939 ( -5.005 3.318 -9.163) 10.955 7.212 ( 4.223 0.859 -0.140) 4.311 7.436 ( -2.275 2.690 -1.270) 3.745 7.904 ( 2.095 0.159 9.979) 10.198 8.024 ( -6.950 0.172 6.312) 9.390 8.512 ( -1.446 15.119 0.732) 15.205 8.901 ( 6.423 4.229 -7.250) 10.569 9.297 ( 4.704 -2.516 7.464) 9.175 9.636 ( 5.585 -9.835 3.205) 11.756 10.108 ( 11.773 -9.692 -3.643) 15.678 10.870 ( 4.459 -8.868 3.311) 10.463 11.634 ( 9.450 -5.508 1.951) 11.111 12.071 ( -5.648 0.327 -9.722) 11.248 12.263 ( -1.498 1.058 1.537) 2.393 12.654 ( 9.048 7.941 2.085) 12.217 13.137 ( -0.861 0.992 -9.048) 9.143 13.593 ( -8.101 0.588 -1.164) 8.205 15.014 ( -2.768 6.125 14.099) 15.619 16.843 ( -15.518 3.481 2.941) 16.173 18.283 ( -6.259 4.743 3.593) 8.636 21.200 ( 11.327 -12.991 -7.175) 18.669 22.468 ( 4.445 2.211 3.597) 6.130 ======================= Grid point 115 (84/156) ======================= q-point: ( 0.19 -0.10 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -20.518 10.791 8.687) 24.757 2.066 ( -23.267 -9.270 3.638) 25.309 2.820 ( -11.776 -10.982 13.733) 21.163 5.481 ( -1.456 1.912 -2.309) 3.333 5.918 ( 4.075 3.587 6.854) 8.743 6.111 ( 1.564 1.857 0.077) 2.429 6.224 ( 1.611 -3.344 1.287) 3.929 6.566 ( 6.022 -10.591 1.978) 12.343 6.896 ( -4.939 2.490 -10.256) 11.653 7.319 ( -1.611 2.287 -2.064) 3.477 7.539 ( 5.351 5.117 2.453) 7.800 7.885 ( -7.038 1.063 6.189) 9.432 8.161 ( 9.886 5.785 6.677) 13.258 8.800 ( 1.494 11.254 0.138) 11.354 9.134 ( 5.836 -1.073 -3.892) 7.096 9.438 ( 11.236 5.602 -1.088) 12.603 9.659 ( 7.998 -0.128 -0.303) 8.005 10.152 ( 11.013 -9.103 2.317) 14.475 10.859 ( 5.851 -5.223 1.585) 8.001 11.692 ( 4.926 -1.857 2.991) 6.055 11.886 ( -10.061 -1.367 -11.343) 15.223 12.351 ( 1.380 6.283 1.301) 6.563 12.955 ( 3.543 2.081 -1.003) 4.230 13.098 ( 5.569 -10.801 -10.248) 15.896 13.454 ( -10.016 9.223 -6.550) 15.110 15.159 ( 3.931 7.454 26.989) 28.274 16.549 ( -12.528 -2.165 4.616) 13.526 18.179 ( -9.791 2.723 3.469) 10.739 21.181 ( 6.720 -6.572 -7.402) 11.964 22.569 ( 3.586 -2.136 -0.376) 4.190 ======================= Grid point 118 (85/156) ======================= q-point: ( 0.47 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -2.530 22.496 -10.781) 25.074 2.799 ( 3.353 4.879 4.957) 7.721 4.242 ( -1.906 2.435 19.043) 19.293 5.209 ( 2.414 -0.657 -6.957) 7.393 5.509 ( -2.824 0.242 -7.227) 7.763 6.142 ( -3.065 7.040 -1.136) 7.762 6.461 ( 1.074 -0.820 1.725) 2.191 6.800 ( 1.884 -6.197 5.955) 8.799 6.914 ( 2.201 -0.349 8.447) 8.736 7.362 ( 3.253 -1.561 0.579) 3.654 7.622 ( -1.423 0.831 1.339) 2.123 7.897 ( 2.255 -4.467 -5.190) 7.210 8.458 ( -10.790 -6.862 4.608) 13.592 8.612 ( 1.689 2.146 -2.339) 3.596 9.006 ( 1.347 1.973 -4.505) 5.099 9.261 ( 6.093 -6.061 2.125) 8.854 9.684 ( -7.113 -3.354 6.472) 10.185 10.098 ( -0.888 0.564 5.073) 5.181 10.716 ( 4.865 -3.590 -16.824) 17.878 11.136 ( 2.938 -13.328 2.251) 13.832 11.762 ( -0.664 0.831 3.175) 3.348 12.400 ( -5.828 1.697 2.316) 6.497 12.500 ( 0.671 -1.583 -1.339) 2.179 12.960 ( 4.405 1.842 -1.578) 5.028 13.738 ( -0.457 4.914 3.016) 5.783 16.337 ( -4.927 6.453 9.813) 12.736 17.816 ( 8.788 6.319 15.720) 19.086 18.569 ( -2.486 3.295 1.716) 4.471 19.900 ( -2.098 -8.271 -16.501) 18.576 22.745 ( -0.327 -2.277 4.527) 5.078 ======================= Grid point 119 (86/156) ======================= q-point: ( 0.47 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 1.313 26.806 -5.978) 27.496 2.722 ( -13.761 -0.120 -3.550) 14.212 4.269 ( -5.250 7.203 18.045) 20.126 5.303 ( 4.701 2.222 -5.955) 7.906 5.396 ( -4.348 -3.409 -6.194) 8.300 6.261 ( -2.332 9.364 2.077) 9.871 6.518 ( -0.664 1.054 -1.460) 1.919 6.704 ( 1.579 -4.486 6.699) 8.216 6.944 ( 1.725 -1.421 9.628) 9.884 7.366 ( 2.480 -3.389 -0.854) 4.285 7.560 ( -0.870 -2.730 -0.986) 3.031 7.909 ( -0.578 -0.069 -2.689) 2.751 8.087 ( -4.824 -4.033 5.069) 8.077 8.715 ( 1.122 3.324 -3.722) 5.115 8.894 ( -2.488 -4.384 0.741) 5.095 9.377 ( 11.983 -4.436 5.099) 13.758 9.518 ( 1.681 -7.993 7.254) 10.924 10.218 ( 0.973 7.803 8.896) 11.873 10.655 ( 4.500 -10.269 -22.968) 25.559 10.962 ( 2.193 -8.780 0.370) 9.057 11.712 ( 2.629 -5.145 10.666) 12.130 12.224 ( 2.600 -7.548 2.575) 8.388 12.656 ( -2.636 12.092 -2.811) 12.691 13.037 ( -1.405 -1.185 -0.491) 1.903 13.805 ( -4.024 6.529 1.694) 7.855 16.456 ( -8.908 16.683 16.416) 25.043 17.807 ( -16.787 7.041 0.666) 18.216 18.762 ( 8.960 1.144 8.305) 12.271 19.715 ( 9.167 -13.947 -16.946) 23.784 22.702 ( 2.698 -3.679 5.128) 6.863 ======================= Grid point 120 (87/156) ======================= q-point: ( 0.47 -0.10 -0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -24.441 -2.581 -8.761) 26.091 2.694 ( -3.351 15.121 -0.004) 15.488 4.303 ( -5.498 5.436 17.990) 19.581 5.233 ( -3.123 -2.410 -5.285) 6.595 5.469 ( 4.979 1.719 -7.295) 8.998 6.334 ( -7.194 1.115 -7.399) 10.380 6.454 ( -1.698 2.165 7.191) 7.700 6.688 ( 2.031 -0.978 4.842) 5.341 6.915 ( 0.156 -2.637 13.189) 13.451 7.314 ( 0.505 -1.626 0.385) 1.746 7.576 ( 2.377 1.628 -1.781) 3.387 7.823 ( -0.299 -0.363 -0.697) 0.841 8.258 ( 11.965 4.234 -1.882) 12.831 8.690 ( -3.253 -1.462 3.956) 5.326 8.904 ( 0.516 4.947 -4.747) 6.875 9.313 ( 2.898 -13.233 6.701) 15.113 9.585 ( 12.374 -2.900 7.808) 14.917 10.315 ( -6.728 -0.204 9.950) 12.013 10.568 ( 6.427 -4.689 -22.926) 24.268 10.880 ( 6.024 -2.201 0.408) 6.426 11.728 ( 5.754 -2.535 8.547) 10.610 12.244 ( 9.259 -2.888 3.422) 10.285 12.799 ( -8.308 1.024 -3.492) 9.070 12.871 ( -4.152 3.238 -0.631) 5.303 13.824 ( -5.532 3.924 2.102) 7.101 16.534 ( -12.225 8.702 15.784) 21.778 17.685 ( -12.993 15.244 2.750) 20.218 18.778 ( -0.830 -7.335 6.932) 10.127 19.750 ( 15.786 -9.146 -16.967) 24.914 22.707 ( 3.991 -2.726 4.866) 6.859 ======================= Grid point 123 (88/156) ======================= q-point: ( 0.47 -0.10 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 17.466 10.809 7.236) 21.778 2.173 ( -11.688 -15.605 2.583) 19.667 4.202 ( 5.511 -3.766 18.434) 19.605 5.273 ( -2.189 -1.241 -5.145) 5.727 5.517 ( -3.025 5.515 -10.743) 12.449 5.920 ( 7.490 -0.432 5.233) 9.147 6.720 ( 2.381 0.431 5.586) 6.087 6.829 ( 3.591 -10.339 -1.113) 11.002 6.993 ( -1.413 -1.771 2.924) 3.699 7.285 ( -3.609 -0.436 2.720) 4.540 7.650 ( -3.636 -4.352 0.595) 5.702 8.009 ( 14.464 7.222 -9.652) 18.829 8.284 ( -7.052 0.145 6.555) 9.630 8.605 ( 3.263 -3.244 -9.063) 10.164 8.856 ( 4.153 -3.417 -0.248) 5.383 9.563 ( 5.382 -3.658 -0.972) 6.579 9.928 ( -10.806 5.452 3.555) 12.615 10.227 ( -2.206 8.696 -0.925) 9.019 10.904 ( -12.534 0.792 -3.740) 13.103 11.117 ( -6.558 11.844 -8.773) 16.132 11.880 ( 5.783 -9.814 2.838) 11.739 12.258 ( 10.303 -0.088 -1.345) 10.391 12.602 ( -5.313 -4.606 2.076) 7.332 13.110 ( -0.799 9.722 -4.821) 10.881 13.521 ( 5.816 -11.869 5.930) 14.487 16.330 ( 23.882 -12.522 11.443) 29.293 17.162 ( -3.547 -9.067 9.379) 13.519 18.752 ( -6.594 6.505 17.607) 19.895 20.117 ( -7.063 9.876 -23.749) 26.673 22.801 ( -2.747 3.202 4.290) 6.017 ======================= Grid point 125 (89/156) ======================= q-point: (-0.25 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 4.903 18.067 -16.898) 25.219 2.349 ( -4.901 -5.303 -17.229) 18.681 4.245 ( 0.246 -3.287 -28.988) 29.175 5.290 ( -1.789 -0.372 9.611) 9.783 5.308 ( 1.660 -2.277 8.280) 8.746 6.192 ( 0.674 6.722 -5.288) 8.579 6.887 ( 0.335 5.404 -2.633) 6.021 7.019 ( -0.911 1.279 0.142) 1.577 7.085 ( 1.680 1.518 1.758) 2.866 7.224 ( -1.883 -3.503 3.312) 5.176 7.805 ( -3.199 9.054 5.622) 11.127 7.908 ( 2.068 1.352 -2.829) 3.756 8.282 ( 2.014 -7.469 8.141) 11.230 8.849 ( 5.074 8.777 1.687) 10.278 8.981 ( -5.077 1.910 5.650) 7.833 9.187 ( -0.827 -14.434 -1.477) 14.533 9.703 ( -1.108 -3.120 13.575) 13.973 10.026 ( 1.739 -9.845 11.655) 15.355 10.744 ( -0.851 9.778 -3.615) 10.460 10.896 ( 0.393 -3.716 -2.793) 4.665 12.099 ( -0.021 -3.460 -0.711) 3.533 12.329 ( 0.021 2.477 9.005) 9.340 12.829 ( -3.371 6.453 -1.381) 7.410 12.912 ( 3.629 -0.168 -2.576) 4.453 13.827 ( -0.374 2.304 -6.855) 7.242 17.243 ( 3.377 15.759 -18.239) 24.339 17.791 ( -5.799 19.291 -10.689) 22.804 18.287 ( 1.970 -3.606 -7.960) 8.958 19.349 ( 0.558 -26.561 22.933) 35.096 22.617 ( 0.028 -3.567 -5.462) 6.524 ======================= Grid point 128 (90/156) ======================= q-point: (-0.25 -0.11 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -6.889 12.029 5.244) 14.821 1.991 ( 11.631 -15.951 -2.342) 19.880 4.117 ( -3.367 -6.947 -16.525) 18.239 5.258 ( -0.148 2.767 3.424) 4.405 5.595 ( 0.913 3.065 8.511) 9.092 5.967 ( 4.828 -7.870 -0.154) 9.234 6.580 ( -9.439 0.501 -2.717) 9.835 6.775 ( 1.985 -0.349 -6.440) 6.748 6.955 ( -0.839 4.248 -4.212) 6.041 7.252 ( -1.710 -0.170 -1.339) 2.179 7.610 ( -1.298 -2.133 -0.584) 2.564 8.009 ( -5.470 -7.124 7.404) 11.640 8.407 ( 9.827 1.133 -1.945) 10.081 8.540 ( -3.329 -4.620 6.323) 8.509 8.753 ( -4.893 -2.633 -5.348) 7.712 9.517 ( -0.941 -2.971 5.725) 6.519 10.009 ( 1.262 13.613 -7.933) 15.806 10.336 ( 1.667 1.369 -6.148) 6.516 10.940 ( 1.394 16.109 6.944) 17.597 11.324 ( 2.887 4.808 4.897) 7.445 11.691 ( -3.833 -4.079 0.513) 5.621 12.245 ( -0.691 -11.645 4.430) 12.479 12.572 ( 2.544 6.951 -3.498) 8.187 13.160 ( -12.212 3.313 -0.186) 12.655 13.378 ( 6.316 -9.341 -1.287) 11.349 16.102 ( -6.931 -18.576 -8.793) 21.690 17.093 ( 1.590 -3.012 -9.967) 10.533 18.852 ( 3.222 6.509 -17.445) 18.897 20.251 ( 1.976 6.681 22.896) 23.932 22.850 ( 1.018 2.481 -4.345) 5.106 ======================= Grid point 129 (91/156) ======================= q-point: (-0.25 -0.11 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -0.026 -10.108 3.389) 10.661 2.137 ( 7.822 2.967 12.733) 15.235 3.966 ( 1.775 -2.874 -16.517) 16.859 5.317 ( 0.836 0.692 1.016) 1.487 5.599 ( -6.562 5.255 5.400) 9.992 5.903 ( 5.245 -10.166 1.738) 11.570 6.481 ( 0.852 2.542 -3.229) 4.197 6.919 ( -3.253 4.729 -6.337) 8.550 7.017 ( -0.506 0.589 -4.673) 4.737 7.325 ( 9.716 2.019 -2.773) 10.303 7.422 ( -1.364 -4.045 1.273) 4.454 7.774 ( -3.925 -2.914 8.450) 9.762 8.399 ( -6.297 1.909 1.955) 6.865 8.630 ( 7.360 -1.505 -3.765) 8.403 8.671 ( 1.277 -0.812 -3.410) 3.731 9.440 ( -1.419 -1.998 10.500) 10.782 10.124 ( -6.010 3.362 -15.322) 16.798 10.427 ( -2.538 4.249 -10.776) 11.859 11.251 ( -7.776 9.371 11.456) 16.719 11.336 ( -3.969 12.355 1.212) 13.033 11.659 ( 3.573 -7.018 1.746) 8.066 12.039 ( 4.083 -8.725 6.662) 11.712 12.789 ( -6.068 -2.084 -4.030) 7.576 12.897 ( 4.525 6.695 -4.841) 9.420 13.412 ( 4.568 -5.281 5.153) 8.678 15.776 ( 4.681 -8.412 -10.141) 13.983 17.119 ( 5.891 -2.197 -5.765) 8.530 18.965 ( -0.782 1.218 -19.219) 19.274 20.325 ( -5.186 3.841 22.925) 23.816 22.883 ( -1.525 1.214 -5.224) 5.576 ======================= Grid point 131 (92/156) ======================= q-point: (-0.25 -0.11 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -10.972 -0.526 2.643) 11.298 2.362 ( 14.371 -5.391 2.427) 15.539 4.083 ( 5.247 4.505 -17.017) 18.368 5.316 ( 0.894 -1.501 3.273) 3.710 5.543 ( -7.771 1.921 10.088) 12.879 5.837 ( 4.045 -2.050 -5.792) 7.356 6.630 ( -1.604 5.120 -2.218) 5.806 6.823 ( 4.779 -1.990 -3.785) 6.413 7.004 ( -0.783 0.268 -3.271) 3.374 7.400 ( 2.185 -4.780 -1.698) 5.523 7.645 ( 8.427 3.730 -0.982) 9.268 7.767 ( -2.491 6.592 7.560) 10.335 8.333 ( -4.038 2.499 -5.044) 6.928 8.662 ( 4.686 -6.667 6.950) 10.711 8.749 ( 3.520 3.785 -1.059) 5.276 9.446 ( 1.975 4.543 4.216) 6.505 9.978 ( -12.244 2.225 -7.433) 14.495 10.344 ( -5.291 -3.599 -8.315) 10.493 11.081 ( -9.767 -2.954 11.840) 15.631 11.348 ( -5.131 -11.974 6.983) 14.780 11.721 ( 6.552 9.208 -3.454) 11.817 12.075 ( 3.473 3.541 1.501) 5.182 12.665 ( 0.257 0.275 -3.343) 3.364 13.106 ( -5.775 1.113 2.465) 6.377 13.445 ( 11.008 0.307 -1.381) 11.098 15.956 ( 10.501 9.360 -12.032) 18.512 17.249 ( 12.531 -4.109 -5.916) 14.453 18.860 ( -6.605 -3.595 -18.478) 19.950 20.203 ( -9.163 -0.764 22.840) 24.622 22.840 ( -2.883 -0.732 -4.890) 5.723 ======================= Grid point 141 (93/156) ======================= q-point: ( 0.31 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -1.158 22.244 -7.033) 23.358 2.166 ( 7.850 17.219 12.531) 22.696 3.167 ( -2.630 6.068 29.308) 30.045 5.464 ( -0.317 -3.478 -0.722) 3.567 5.859 ( -1.649 0.691 -10.992) 11.136 6.070 ( -5.058 -0.879 -0.536) 5.162 6.348 ( -2.045 -5.365 7.729) 9.628 6.563 ( 1.873 -3.016 9.917) 10.533 6.810 ( 3.781 -0.548 -3.563) 5.224 7.395 ( 3.137 4.463 1.816) 5.749 7.652 ( 7.134 -9.253 -4.045) 12.364 7.967 ( -1.777 7.084 3.611) 8.148 8.265 ( -9.695 -4.355 5.306) 11.879 8.877 ( -0.595 -7.727 -1.186) 7.840 9.119 ( 2.655 0.715 -5.478) 6.129 9.413 ( 3.334 -13.782 -0.513) 14.188 9.732 ( 6.026 -7.078 -3.215) 9.836 10.034 ( -9.338 -9.844 3.745) 14.076 10.949 ( 9.068 -0.421 3.826) 9.852 11.560 ( -0.440 10.674 -16.477) 19.637 11.747 ( -2.233 -9.856 4.930) 11.245 12.422 ( -0.789 3.928 -9.207) 10.041 12.623 ( -5.127 -4.535 -0.172) 6.847 12.999 ( -0.569 -0.770 -0.595) 1.127 13.523 ( 4.044 4.687 -0.276) 6.196 15.769 ( -7.628 -12.296 22.714) 26.932 16.858 ( 11.990 14.164 15.959) 24.476 18.289 ( -0.781 8.354 4.235) 9.398 20.815 ( -1.696 -5.369 -18.071) 18.927 22.536 ( -2.731 -0.072 4.860) 5.575 ======================= Grid point 142 (94/156) ======================= q-point: ( 0.31 -0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -3.443 18.295 -8.370) 20.412 2.593 ( 4.948 12.321 3.485) 13.727 3.227 ( -1.290 2.721 23.981) 24.169 5.456 ( 0.780 3.448 -2.817) 4.520 5.802 ( -6.084 -3.261 -8.711) 11.114 5.940 ( -0.854 3.107 1.457) 3.536 6.354 ( 2.094 0.597 9.084) 9.341 6.583 ( 3.260 -0.496 9.234) 9.805 6.836 ( -0.120 0.391 -8.161) 8.171 7.482 ( -2.836 0.778 -0.363) 2.963 7.614 ( 6.280 -10.083 0.189) 11.880 7.873 ( -11.595 -2.873 3.568) 12.467 8.114 ( 2.234 4.372 -1.160) 5.045 8.686 ( -4.007 -2.402 4.429) 6.438 8.999 ( -8.004 -7.169 -2.476) 11.027 9.307 ( 4.606 -4.318 7.298) 9.650 9.658 ( 8.524 -9.273 -8.491) 15.190 9.793 ( 2.242 -8.074 8.036) 11.609 11.160 ( 15.794 -9.006 2.930) 18.416 11.373 ( -5.680 -9.478 8.195) 13.757 11.762 ( 2.310 3.759 -18.881) 19.389 12.354 ( 2.242 -11.475 1.344) 11.769 12.530 ( -8.391 11.755 -4.240) 15.052 13.051 ( 1.513 1.081 -0.041) 1.860 13.654 ( -1.001 4.773 -3.065) 5.760 15.480 ( -8.715 2.132 19.749) 21.692 17.313 ( -3.308 15.305 8.607) 17.868 18.403 ( -3.311 7.301 4.398) 9.144 20.697 ( 9.765 -12.958 -15.444) 22.400 22.477 ( 0.706 -2.131 7.937) 8.249 ======================= Grid point 143 (95/156) ======================= q-point: ( 0.31 -0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -14.325 8.278 3.521) 16.916 2.866 ( -1.376 0.386 -10.875) 10.968 3.230 ( -3.361 6.192 24.424) 25.420 5.576 ( -7.031 -2.510 -7.909) 10.876 5.632 ( 3.897 7.050 -4.892) 9.425 6.076 ( 3.030 4.935 4.421) 7.285 6.362 ( -0.881 -1.832 8.034) 8.287 6.625 ( 3.641 -4.814 5.848) 8.404 6.831 ( -3.579 2.035 -10.789) 11.548 7.262 ( -5.756 -7.790 4.398) 10.638 7.484 ( -1.476 5.276 1.532) 5.689 7.916 ( 5.977 1.774 -2.202) 6.612 8.205 ( 2.206 -2.666 4.395) 5.594 8.609 ( -4.653 6.838 0.621) 8.295 8.777 ( -2.631 -0.411 1.425) 3.020 9.339 ( 8.006 -4.418 8.838) 12.717 9.588 ( 6.342 -15.605 -0.647) 16.857 9.824 ( 8.093 0.981 4.472) 9.298 10.910 ( -0.178 -14.851 3.785) 15.327 11.451 ( 12.602 -3.619 5.157) 14.089 11.827 ( 0.547 -1.268 -20.031) 20.079 12.224 ( 6.192 -7.400 1.981) 9.850 12.655 ( -3.227 11.591 1.434) 12.117 13.036 ( -4.130 -0.242 -5.767) 7.098 13.686 ( -3.964 2.852 -0.937) 4.972 15.459 ( -5.018 8.763 20.561) 22.906 17.316 ( -20.024 10.528 3.587) 22.906 18.484 ( -3.548 5.966 5.415) 8.803 20.680 ( 15.889 -14.647 -13.268) 25.358 22.494 ( 4.122 -1.518 7.285) 8.506 ======================= Grid point 145 (96/156) ======================= q-point: ( 0.31 -0.12 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -18.166 8.773 3.821) 20.532 2.526 ( -17.235 -5.868 -3.272) 18.498 3.295 ( -1.570 0.246 22.515) 22.571 5.445 ( -2.102 -0.211 -5.614) 5.998 5.844 ( 2.721 3.583 -6.265) 7.713 6.162 ( -0.860 -1.836 6.886) 7.178 6.303 ( 0.973 -0.348 6.856) 6.934 6.539 ( 1.995 -5.446 3.915) 6.998 6.777 ( -4.616 3.012 -10.391) 11.762 7.240 ( 4.715 4.742 -0.095) 6.688 7.563 ( -1.998 1.124 3.044) 3.810 8.040 ( 2.067 0.154 -0.919) 2.267 8.206 ( 4.361 0.834 11.728) 12.540 8.785 ( 2.563 0.616 -3.574) 4.441 8.868 ( 3.508 14.644 -2.070) 15.200 9.338 ( 1.917 -12.413 1.575) 12.659 9.492 ( 10.583 -1.370 4.470) 11.569 9.995 ( 9.283 -4.660 5.359) 11.688 10.766 ( 6.742 -3.619 3.337) 8.347 11.610 ( 9.339 -3.204 4.124) 10.700 11.741 ( -3.913 -2.486 -18.627) 19.195 12.307 ( 7.281 0.218 2.452) 7.686 12.835 ( -2.925 -1.067 -7.558) 8.174 12.891 ( -1.066 3.144 -2.866) 4.386 13.605 ( -7.589 1.970 0.305) 7.846 15.604 ( 2.226 6.633 23.963) 24.964 17.043 ( -20.885 7.657 6.784) 23.256 18.455 ( -7.562 2.274 4.468) 9.072 20.736 ( 13.335 -9.764 -13.798) 21.530 22.550 ( 3.997 -2.432 5.395) 7.141 ======================= Grid point 149 (97/156) ======================= q-point: (-0.42 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 2.159 29.983 -8.500) 31.239 2.853 ( -1.877 -1.012 -3.361) 3.981 4.640 ( -1.022 5.651 8.943) 10.628 5.116 ( 0.988 2.530 -4.185) 4.989 5.327 ( -0.555 -4.059 -5.125) 6.561 6.233 ( 0.801 7.114 -4.222) 8.311 6.606 ( -0.522 6.548 6.196) 9.030 6.827 ( 0.956 -2.427 6.579) 7.077 7.107 ( -1.335 1.246 5.962) 6.235 7.295 ( 1.367 -6.706 -1.327) 6.972 7.540 ( -0.471 -2.683 -1.882) 3.311 7.849 ( 1.420 2.299 4.189) 4.985 8.287 ( -0.493 -10.175 -0.996) 10.236 8.724 ( -4.501 3.189 3.749) 6.669 8.871 ( 4.156 -1.735 -5.364) 7.005 9.266 ( 0.082 -1.299 5.231) 5.391 9.724 ( -2.197 -6.754 6.843) 9.863 10.100 ( 0.204 -17.887 -11.644) 21.344 10.433 ( 0.645 13.984 3.645) 14.465 10.965 ( 1.198 -6.915 3.037) 7.647 11.888 ( 0.357 -1.029 8.058) 8.131 12.269 ( -0.801 -11.158 3.130) 11.617 12.674 ( -4.355 12.826 -2.314) 13.742 12.972 ( 5.320 1.622 -1.347) 5.723 13.888 ( -0.918 5.360 0.026) 5.439 16.820 ( -1.176 22.816 6.112) 23.649 18.104 ( 2.423 1.472 2.427) 3.732 18.585 ( -0.647 -0.473 -3.062) 3.165 19.397 ( -0.727 -15.780 -6.149) 16.952 22.749 ( -0.034 -3.627 2.200) 4.242 ======================= Grid point 150 (98/156) ======================= q-point: (-0.42 -0.13 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -18.080 2.958 -7.718) 19.880 2.646 ( 0.070 14.952 -5.815) 16.043 4.695 ( -4.856 5.542 7.093) 10.228 5.216 ( -2.094 -3.754 -2.937) 5.206 5.224 ( 4.115 1.382 -5.497) 7.004 6.334 ( -5.087 4.379 -5.340) 8.578 6.714 ( -3.237 3.533 10.406) 11.456 6.779 ( -0.803 0.487 5.651) 5.729 7.092 ( 0.579 -0.167 2.273) 2.351 7.220 ( 5.745 -6.568 0.097) 8.727 7.529 ( 0.972 0.406 4.189) 4.319 7.917 ( -3.026 0.878 -0.296) 3.165 8.082 ( 3.241 -2.837 2.556) 5.009 8.730 ( -2.220 4.449 -2.060) 5.382 8.855 ( -0.799 -0.954 1.609) 2.035 9.394 ( 11.671 -10.988 8.953) 18.360 9.545 ( 3.905 -3.421 11.441) 12.564 9.862 ( 8.295 -8.393 -23.489) 26.287 10.675 ( -6.924 6.963 7.026) 12.074 10.881 ( -1.204 0.258 0.695) 1.414 11.836 ( 4.263 -4.491 13.066) 14.459 12.137 ( 6.165 -5.649 2.546) 8.741 12.842 ( -3.711 9.715 -2.528) 10.702 12.982 ( -4.459 -2.270 -1.169) 5.138 13.942 ( -3.272 3.946 -0.243) 5.132 17.184 ( -16.389 17.773 14.507) 28.194 17.874 ( -12.796 10.939 -9.499) 19.330 18.881 ( 9.210 -10.273 9.143) 16.551 19.056 ( 13.816 -12.214 -16.300) 24.612 22.707 ( 2.841 -2.821 2.357) 4.646 ======================= Grid point 153 (99/156) ======================= q-point: ( 0.58 -0.13 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 6.670 10.154 5.105) 13.178 2.289 ( -1.254 -20.470 -4.153) 20.925 4.336 ( 3.860 -6.797 6.598) 10.230 5.278 ( -0.681 3.995 -0.885) 4.148 5.384 ( -1.558 3.312 -3.784) 5.265 5.954 ( 0.217 -3.519 4.667) 5.849 6.632 ( 5.485 -0.118 -1.988) 5.835 6.839 ( -3.437 0.252 -0.681) 3.513 7.079 ( -1.079 -0.026 2.893) 3.088 7.448 ( -1.874 -4.202 2.234) 5.115 7.549 ( 6.938 3.053 -7.949) 10.984 7.737 ( -1.351 -8.959 2.593) 9.424 8.369 ( 3.636 -0.561 -1.612) 4.016 8.582 ( -5.688 2.280 0.812) 6.181 8.759 ( 1.051 -2.431 -0.264) 2.662 9.401 ( 4.725 -6.119 -0.549) 7.751 10.116 ( -0.173 19.615 4.995) 20.241 10.468 ( -9.743 4.102 2.794) 10.934 10.881 ( 2.906 15.225 -6.803) 16.927 11.204 ( -14.324 -0.099 -6.053) 15.551 11.763 ( 9.286 -3.704 0.503) 10.010 12.086 ( 3.635 -8.966 2.532) 10.001 12.731 ( 1.314 1.678 2.643) 3.396 13.018 ( -4.578 7.112 -5.339) 10.002 13.490 ( 5.036 -12.659 2.358) 13.826 16.140 ( 8.791 -12.396 5.680) 16.223 17.332 ( -0.952 -11.624 1.736) 11.792 19.257 ( -3.267 10.296 18.757) 21.645 19.750 ( -2.018 5.844 -19.877) 20.816 22.907 ( -1.202 3.048 1.569) 3.633 ======================= Grid point 154 (100/156) ======================= q-point: ( 0.58 -0.13 -0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -10.259 -12.644 -5.905) 17.320 2.103 ( 21.473 6.905 6.499) 23.474 4.350 ( 7.564 -3.293 5.134) 9.717 5.230 ( -6.097 0.457 1.094) 6.211 5.434 ( -1.185 2.321 -6.082) 6.617 6.000 ( 5.665 -0.551 1.916) 6.006 6.595 ( -0.628 -4.645 -0.971) 4.787 6.859 ( -0.985 0.375 2.213) 2.451 7.042 ( -2.165 2.869 3.298) 4.878 7.302 ( 0.851 -1.505 3.186) 3.625 7.604 ( 1.173 -3.404 -0.506) 3.636 7.865 ( 10.893 -1.756 -6.282) 12.697 8.364 ( -0.393 2.249 -5.708) 6.147 8.498 ( -2.450 3.089 2.986) 4.945 8.831 ( 3.930 -3.149 2.033) 5.431 9.418 ( 6.031 -2.728 -3.640) 7.554 10.139 ( -21.183 1.638 3.029) 21.461 10.440 ( -2.141 8.721 4.189) 9.909 10.824 ( -17.223 -0.782 -4.179) 17.740 11.232 ( 0.152 9.369 -3.064) 9.859 11.714 ( 2.897 -8.389 2.087) 9.117 12.158 ( 11.546 -2.480 -3.632) 12.356 12.646 ( -7.232 2.685 2.850) 8.224 13.118 ( -3.557 -2.355 -3.040) 5.238 13.436 ( 12.174 -2.679 3.271) 12.888 16.196 ( 15.358 -7.833 0.603) 17.250 17.275 ( 8.181 0.130 6.937) 10.727 19.234 ( -10.769 2.344 18.758) 21.756 19.788 ( -4.377 3.139 -21.103) 21.779 22.909 ( -2.958 1.266 1.346) 3.488 ======================= Grid point 156 (101/156) ======================= q-point: (-0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.000 0.000 -24.252) 24.252 1.846 ( 0.000 0.000 -24.252) 24.252 3.410 ( 0.000 0.000 -43.731) 43.731 5.516 ( -0.000 -0.000 13.438) 13.438 5.516 ( -0.000 -0.000 13.438) 13.438 6.167 ( 0.000 0.000 -5.259) 5.259 6.880 ( 0.000 0.000 -2.794) 2.794 7.064 ( 0.000 0.000 -3.435) 3.435 7.064 ( 0.000 0.000 -3.435) 3.435 7.231 ( -0.000 -0.000 4.239) 4.239 8.037 ( -0.000 -0.000 4.180) 4.180 8.037 ( -0.000 -0.000 4.180) 4.180 8.328 ( -0.000 -0.000 6.169) 6.169 8.738 ( 0.000 0.000 -4.012) 4.012 9.177 ( -0.000 -0.000 6.542) 6.542 9.177 ( -0.000 -0.000 6.542) 6.542 10.048 ( -0.000 -0.000 23.291) 23.291 10.143 ( -0.000 -0.000 8.884) 8.884 10.733 ( 0.000 0.000 -7.224) 7.224 10.733 ( 0.000 0.000 -7.224) 7.224 12.043 ( 0.000 0.000 -0.537) 0.537 12.543 ( -0.000 -0.000 5.706) 5.706 12.842 ( 0.000 0.000 -3.370) 3.370 12.842 ( 0.000 0.000 -3.370) 3.370 13.685 ( 0.000 0.000 -8.299) 8.299 16.859 ( 0.000 0.000 -23.552) 23.552 18.071 ( 0.000 0.000 -8.132) 8.132 18.071 ( 0.000 0.000 -8.132) 8.132 19.476 ( -0.000 -0.000 29.641) 29.641 22.397 ( 0.000 0.000 -11.106) 11.106 ======================= Grid point 158 (102/156) ======================= q-point: (-0.14 -0.14 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 13.081 -6.542 -6.640) 16.062 2.094 ( -5.073 16.560 -4.578) 17.914 3.741 ( -0.065 -2.029 -25.316) 25.397 5.386 ( -3.286 -1.279 4.279) 5.544 5.759 ( 1.027 3.645 10.242) 10.920 5.866 ( 5.397 -7.812 2.831) 9.908 6.579 ( -0.586 -4.919 -7.517) 9.003 6.745 ( -9.919 -3.468 -8.192) 13.324 6.962 ( -3.308 2.239 -0.429) 4.018 7.254 ( 0.954 4.666 -0.423) 4.781 7.640 ( -7.238 0.092 -0.291) 7.245 8.110 ( 8.134 2.744 -6.630) 10.846 8.219 ( 3.084 -12.654 6.111) 14.387 8.699 ( -10.473 -1.474 -1.117) 10.635 8.922 ( -6.226 -5.179 6.790) 10.569 9.576 ( 0.589 -2.137 -0.113) 2.219 9.893 ( -1.051 8.044 -0.503) 8.128 10.213 ( 4.307 -7.376 -0.400) 8.551 11.023 ( 2.690 15.757 6.465) 17.242 11.289 ( 11.064 8.836 8.173) 16.349 11.830 ( -7.300 -6.783 -1.386) 10.061 12.267 ( 1.247 -8.051 -1.018) 8.211 12.597 ( -4.338 2.231 2.516) 5.489 13.180 ( 10.202 -0.646 1.027) 10.274 13.407 ( -12.086 -1.210 -4.132) 12.831 16.006 ( -10.586 -23.586 -19.471) 32.365 16.968 ( -8.822 6.821 -9.217) 14.467 18.419 ( 5.604 4.788 -14.364) 16.145 20.613 ( 8.823 6.078 23.836) 26.133 22.688 ( 3.408 1.960 -6.266) 7.398 ======================= Grid point 159 (103/156) ======================= q-point: (-0.14 -0.14 0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 4.795 2.360 0.534) 5.371 2.358 ( 2.582 7.867 13.680) 15.991 3.587 ( -3.427 -4.726 -21.360) 22.144 5.360 ( -0.073 1.746 3.312) 3.745 5.638 ( -2.625 -4.600 -5.060) 7.325 6.021 ( 9.115 -0.265 16.458) 18.816 6.459 ( -9.445 -1.717 -4.943) 10.798 6.648 ( 4.128 4.151 -11.723) 13.103 6.987 ( 0.536 1.923 -0.925) 2.200 7.310 ( -6.676 3.052 0.725) 7.376 7.441 ( -1.206 -6.145 -2.915) 6.908 8.025 ( 0.121 -6.492 8.294) 10.533 8.327 ( 7.074 1.448 -7.831) 10.652 8.523 ( -3.745 -0.036 -8.803) 9.567 8.634 ( -7.971 -2.858 4.049) 9.386 9.675 ( 5.670 3.017 6.338) 9.024 9.895 ( -2.235 -4.230 -5.307) 7.145 10.221 ( 0.773 1.666 -9.803) 9.974 11.325 ( -2.433 7.524 -3.067) 8.482 11.562 ( 0.036 2.718 7.703) 8.168 11.693 ( 5.436 -0.144 7.652) 9.388 12.139 ( 0.965 -4.928 4.633) 6.832 12.642 ( 4.352 2.805 -0.262) 5.184 12.959 ( -11.276 -6.899 -4.714) 14.035 13.446 ( 2.670 3.102 4.645) 6.191 15.505 ( -3.736 -8.340 -15.816) 18.266 16.939 ( -3.094 2.257 -7.006) 7.984 18.584 ( 2.236 1.982 -15.659) 15.942 20.819 ( 2.923 1.845 21.940) 22.211 22.750 ( 0.957 0.024 -7.999) 8.056 ======================= Grid point 163 (104/156) ======================= q-point: ( 0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 26.679 26.679 -0.000) 37.730 1.347 ( -0.431 28.768 0.000) 28.771 1.755 ( -15.696 33.549 0.000) 37.039 5.579 ( -1.805 -7.470 -0.000) 7.685 5.876 ( 0.227 -2.758 -0.000) 2.767 6.209 ( -0.293 -3.194 -0.000) 3.208 6.259 ( 0.220 -1.745 -0.000) 1.759 6.514 ( -2.222 -7.670 -0.000) 7.985 6.926 ( 0.043 4.696 0.000) 4.696 7.374 ( 0.251 -0.619 -0.000) 0.668 7.379 ( 3.334 17.108 0.000) 17.430 8.011 ( 7.276 -7.428 -0.000) 10.398 8.275 ( -7.085 -6.730 0.000) 9.772 9.064 ( 2.098 -9.253 -0.000) 9.488 9.291 ( 1.177 -5.311 -0.000) 5.440 9.907 ( 2.410 -9.245 -0.000) 9.554 9.932 ( -2.339 -15.145 -0.000) 15.325 10.193 ( 1.961 -8.802 -0.000) 9.018 10.825 ( 1.837 3.753 0.000) 4.179 11.742 ( 0.108 14.246 0.000) 14.247 11.782 ( 2.792 -5.718 -0.000) 6.364 12.490 ( 7.323 -0.891 -0.000) 7.377 12.757 ( -22.027 4.179 0.000) 22.420 13.120 ( -1.791 -8.488 -0.000) 8.675 13.997 ( 9.224 -4.231 -0.000) 10.148 14.748 ( -0.033 2.356 0.000) 2.356 16.215 ( 4.590 10.886 0.000) 11.814 17.993 ( 1.641 8.624 0.000) 8.779 21.292 ( 0.753 -1.480 -0.000) 1.661 22.613 ( -6.515 -6.476 0.000) 9.186 ======================= Grid point 164 (105/156) ======================= q-point: ( 0.14 -0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -11.109 21.307 0.000) 24.029 1.978 ( 6.546 20.936 0.000) 21.936 2.484 ( 23.198 17.851 -0.000) 29.271 5.421 ( -4.958 2.812 0.000) 5.700 5.821 ( -0.417 -1.786 -0.000) 1.834 6.083 ( -3.407 -3.380 0.000) 4.799 6.252 ( 2.285 -2.300 -0.000) 3.242 6.411 ( 6.534 -6.532 -0.000) 9.239 7.018 ( -1.421 4.106 0.000) 4.345 7.406 ( 1.294 2.839 0.000) 3.120 7.747 ( 1.193 1.421 0.000) 1.855 7.921 ( -12.601 3.710 0.000) 13.136 7.970 ( 4.698 -8.662 -0.000) 9.854 8.702 ( -12.350 -9.180 0.000) 15.388 9.205 ( 0.597 -3.980 -0.000) 4.025 9.387 ( -12.183 -14.637 -0.000) 19.044 9.777 ( 2.134 -7.784 -0.000) 8.071 10.166 ( 11.386 -10.939 -0.000) 15.789 11.043 ( 11.417 0.719 -0.000) 11.440 11.568 ( 0.023 -15.593 -0.000) 15.594 12.027 ( 0.056 10.875 0.000) 10.876 12.355 ( -12.089 3.476 0.000) 12.578 12.618 ( -0.613 -6.428 -0.000) 6.458 12.977 ( 0.442 2.278 0.000) 2.321 13.943 ( -4.200 -2.665 0.000) 4.974 14.808 ( -0.703 3.633 0.000) 3.700 16.726 ( 7.131 15.919 0.000) 17.443 18.130 ( -5.121 8.279 0.000) 9.735 21.304 ( 8.433 -6.674 -0.000) 10.754 22.353 ( -2.882 -6.113 -0.000) 6.758 ======================= Grid point 165 (106/156) ======================= q-point: ( 0.14 -0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -13.314 6.687 0.000) 14.899 2.424 ( 2.537 9.722 0.000) 10.047 3.115 ( 12.361 3.824 -0.000) 12.939 5.528 ( -3.144 12.571 0.000) 12.958 5.785 ( -1.348 -0.234 0.000) 1.368 5.963 ( -1.330 -1.780 -0.000) 2.222 6.251 ( 2.363 -2.415 -0.000) 3.379 6.494 ( 11.070 -4.358 -0.000) 11.897 7.036 ( -3.506 3.264 0.000) 4.791 7.322 ( -10.121 -9.334 0.000) 13.768 7.516 ( -0.087 3.843 0.000) 3.844 7.853 ( 1.604 -8.319 -0.000) 8.472 8.141 ( 0.158 6.256 0.000) 6.258 8.284 ( -16.260 6.413 0.000) 17.479 8.947 ( -4.143 -6.908 -0.000) 8.055 9.185 ( 4.865 -3.821 -0.000) 6.186 9.671 ( 4.447 -8.530 -0.000) 9.619 10.169 ( 12.033 -12.402 -0.000) 17.280 11.035 ( -4.784 -8.760 -0.000) 9.982 11.466 ( 17.344 -8.957 -0.000) 19.520 12.184 ( -2.593 6.176 0.000) 6.698 12.325 ( -10.445 12.466 0.000) 16.263 12.402 ( 6.540 -12.035 -0.000) 13.697 13.120 ( 1.998 4.832 0.000) 5.229 13.782 ( -7.143 -0.522 0.000) 7.162 14.857 ( -2.281 3.670 0.000) 4.321 16.976 ( -11.477 11.109 0.000) 15.973 18.202 ( -3.513 7.666 0.000) 8.432 21.322 ( 13.267 -14.360 -0.000) 19.551 22.286 ( 1.863 1.175 -0.000) 2.203 ======================= Grid point 166 (107/156) ======================= q-point: ( 0.14 -0.14 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -17.484 0.836 0.000) 17.504 2.443 ( -9.146 -1.720 0.000) 9.306 3.172 ( -2.361 -8.022 -0.000) 8.362 5.613 ( -9.644 6.203 0.000) 11.467 5.758 ( -0.274 0.288 0.000) 0.398 5.979 ( 1.982 1.909 -0.000) 2.751 6.251 ( 2.394 -2.389 -0.000) 3.382 6.622 ( 9.998 -7.665 -0.000) 12.598 7.032 ( -3.418 3.429 0.000) 4.841 7.210 ( 5.156 3.526 -0.000) 6.246 7.494 ( -4.150 -1.015 0.000) 4.272 7.769 ( 3.726 0.181 -0.000) 3.731 7.942 ( -11.256 2.146 0.000) 11.459 8.506 ( -0.650 14.982 0.000) 14.996 8.995 ( 7.854 6.760 -0.000) 10.363 9.204 ( 4.379 -4.786 -0.000) 6.487 9.600 ( 5.985 -7.856 -0.000) 9.877 10.150 ( 12.055 -13.330 -0.000) 17.973 10.832 ( 4.505 -7.717 -0.000) 8.936 11.611 ( 10.138 -6.693 -0.000) 12.148 12.180 ( -6.344 2.421 0.000) 6.791 12.243 ( -1.369 0.708 0.000) 1.541 12.631 ( 8.678 8.285 -0.000) 11.998 13.233 ( 2.677 1.410 -0.000) 3.026 13.612 ( -9.851 1.835 0.000) 10.020 14.859 ( -3.615 2.346 0.000) 4.310 16.812 ( -15.911 3.538 0.000) 16.300 18.246 ( -6.843 5.404 0.000) 8.720 21.272 ( 11.185 -13.615 -0.000) 17.620 22.432 ( 5.377 3.193 -0.000) 6.254 ======================= Grid point 167 (108/156) ======================= q-point: ( 0.14 -0.14 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -23.746 13.151 0.000) 27.144 2.001 ( -21.285 -7.047 0.000) 22.421 2.691 ( -17.610 -16.603 0.000) 24.203 5.522 ( -3.972 2.396 0.000) 4.639 5.800 ( 2.429 1.048 -0.000) 2.645 6.094 ( 3.074 3.154 0.000) 4.404 6.250 ( 2.273 -2.355 -0.000) 3.273 6.543 ( 5.110 -11.444 -0.000) 12.533 7.014 ( -4.076 1.558 0.000) 4.364 7.386 ( -2.190 -0.873 0.000) 2.357 7.470 ( 3.242 6.160 0.000) 6.961 7.810 ( -5.441 4.135 0.000) 6.834 8.087 ( 10.794 7.885 -0.000) 13.367 8.794 ( 2.250 9.935 0.000) 10.187 9.172 ( 4.383 -3.655 -0.000) 5.707 9.456 ( 13.193 12.335 -0.000) 18.061 9.666 ( 8.463 0.040 -0.000) 8.463 10.125 ( 11.658 -12.219 -0.000) 16.888 10.840 ( 6.573 -5.368 -0.000) 8.486 11.656 ( 5.622 -2.827 -0.000) 6.293 12.021 ( -10.825 0.088 0.000) 10.825 12.327 ( 1.918 5.190 0.000) 5.533 12.948 ( 6.340 3.726 -0.000) 7.353 13.200 ( 0.970 -13.320 -0.000) 13.355 13.611 ( -2.473 16.678 0.000) 16.860 14.810 ( -3.662 0.656 0.000) 3.720 16.501 ( -13.162 -2.832 0.000) 13.463 18.143 ( -10.376 3.351 0.000) 10.904 21.252 ( 6.604 -5.833 -0.000) 8.812 22.582 ( 6.374 -2.003 -0.000) 6.682 ======================= Grid point 170 (109/156) ======================= q-point: ( 0.42 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -2.342 23.124 -12.273) 26.284 2.663 ( 5.034 9.066 7.876) 13.022 3.789 ( -1.829 3.095 24.331) 24.595 5.342 ( 1.698 -1.209 -5.632) 6.005 5.674 ( -2.423 0.315 -8.715) 9.051 6.141 ( -8.034 5.858 1.925) 10.127 6.419 ( 3.302 0.181 3.303) 4.674 6.714 ( 1.326 -3.703 0.160) 3.936 6.726 ( 3.875 -2.432 9.634) 10.665 7.369 ( 6.818 -5.041 -1.345) 8.586 7.581 ( -2.221 3.046 2.329) 4.431 8.003 ( 2.201 -3.029 -4.213) 5.636 8.312 ( -12.165 -5.130 7.822) 15.346 8.700 ( 2.821 -2.463 -4.013) 5.489 9.081 ( -4.003 1.285 -3.007) 5.169 9.204 ( 10.296 -8.797 3.118) 13.897 9.570 ( -3.481 -6.812 4.168) 8.712 9.979 ( -4.746 -3.232 6.206) 8.455 10.935 ( 10.561 -5.252 0.713) 11.817 11.275 ( -0.259 -3.858 -19.399) 19.781 11.659 ( -3.044 -7.207 6.486) 10.163 12.361 ( -0.705 -7.528 1.757) 7.762 12.560 ( -4.498 8.942 -5.058) 11.215 12.986 ( 4.191 0.783 -0.732) 4.326 13.673 ( 0.086 5.952 2.781) 6.570 16.054 ( -5.831 1.670 17.521) 18.541 17.491 ( 9.817 13.685 14.650) 22.322 18.522 ( -2.037 6.005 2.625) 6.863 20.263 ( -2.127 -11.062 -17.733) 21.009 22.630 ( -0.937 -2.772 6.384) 7.023 ======================= Grid point 171 (110/156) ======================= q-point: ( 0.42 -0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -3.688 20.458 -5.214) 21.432 2.772 ( -5.655 3.567 -1.770) 6.916 3.831 ( -4.481 6.762 23.760) 25.106 5.429 ( 3.949 3.742 -6.144) 8.207 5.551 ( -6.346 -3.013 -8.542) 11.060 6.161 ( -2.506 8.429 5.610) 10.431 6.537 ( 3.869 -1.600 8.549) 9.519 6.653 ( -2.120 0.004 -8.469) 8.730 6.732 ( 2.860 -4.335 9.274) 10.629 7.377 ( 3.211 -4.481 0.343) 5.524 7.575 ( -2.344 0.087 -0.243) 2.358 7.911 ( -11.120 -1.580 3.060) 11.641 8.062 ( 7.483 -1.286 -3.005) 8.166 8.746 ( -0.643 1.159 0.866) 1.583 8.871 ( -3.037 -4.966 1.701) 6.064 9.281 ( 12.470 -8.094 4.417) 15.509 9.403 ( 3.365 -10.589 3.050) 11.521 9.990 ( -1.737 8.352 11.565) 14.371 10.938 ( 3.705 -11.377 1.452) 12.053 11.214 ( 1.997 -3.848 -26.604) 26.955 11.480 ( 5.766 -7.620 10.058) 13.873 12.168 ( 3.405 -9.262 2.812) 10.261 12.718 ( -4.075 11.881 -3.055) 12.927 13.047 ( -1.132 -0.527 -0.590) 1.381 13.764 ( -2.784 5.539 1.797) 6.455 16.050 ( -7.323 10.334 22.254) 25.606 17.758 ( -13.256 13.451 3.449) 19.198 18.631 ( 0.749 4.709 4.567) 6.603 20.059 ( 11.584 -15.849 -15.838) 25.224 22.574 ( 2.587 -3.592 7.113) 8.378 ======================= Grid point 172 (111/156) ======================= q-point: ( 0.42 -0.15 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -19.156 3.586 -2.991) 19.716 2.713 ( -7.573 6.060 -2.711) 10.071 3.863 ( -5.045 4.481 23.951) 24.883 5.366 ( -4.207 -1.414 -7.362) 8.597 5.623 ( 4.233 3.617 -7.486) 9.330 6.319 ( 0.707 4.774 6.304) 7.939 6.449 ( -6.432 -3.600 0.463) 7.386 6.586 ( 2.341 -2.432 4.772) 5.845 6.709 ( 0.142 -0.816 1.441) 1.662 7.268 ( -2.310 -0.880 3.711) 4.459 7.605 ( 0.954 2.205 -0.741) 2.514 7.871 ( 3.654 1.348 -3.675) 5.354 8.263 ( 9.958 0.266 2.798) 10.347 8.640 ( -3.008 1.069 -0.352) 3.212 8.925 ( 1.379 4.893 2.983) 5.894 9.228 ( 6.780 -14.239 1.210) 15.817 9.423 ( 12.055 -4.080 7.574) 14.810 10.096 ( -4.030 2.568 10.816) 11.824 10.739 ( 1.722 -4.395 3.016) 5.601 11.215 ( 4.132 -2.297 -27.706) 28.106 11.547 ( 10.676 -5.242 8.488) 14.612 12.170 ( 9.394 -3.404 3.456) 10.572 12.873 ( -1.587 8.096 -0.611) 8.272 12.892 ( -9.508 -2.969 -4.369) 10.877 13.773 ( -5.190 2.764 2.482) 6.382 16.120 ( -5.428 7.011 23.384) 25.009 17.620 ( -21.075 12.316 3.276) 24.629 18.666 ( -3.564 0.234 4.081) 5.423 20.091 ( 17.549 -11.381 -15.533) 26.053 22.586 ( 4.469 -2.669 6.565) 8.378 ======================= Grid point 177 (112/156) ======================= q-point: (-0.30 -0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 3.405 20.663 -11.828) 24.052 2.646 ( -3.419 -3.145 -11.444) 12.351 4.691 ( 0.181 0.595 -13.113) 13.127 5.153 ( -1.381 1.610 3.123) 3.775 5.203 ( 1.265 -2.869 1.672) 3.553 6.292 ( 0.413 6.294 -4.464) 7.727 6.884 ( 0.435 6.760 3.846) 7.789 6.962 ( -1.971 0.966 5.941) 6.334 7.073 ( 4.440 -1.855 -1.683) 5.098 7.153 ( -3.136 -6.580 2.547) 7.721 7.684 ( -3.464 9.098 6.747) 11.844 7.958 ( 7.598 -1.345 -0.856) 7.763 8.097 ( -4.515 -8.397 6.844) 11.736 8.829 ( 5.345 6.439 0.873) 8.413 8.889 ( -3.367 3.238 3.361) 5.754 9.300 ( -3.673 -6.693 -5.940) 9.673 9.479 ( 1.679 -14.064 3.793) 14.663 9.779 ( 0.291 -9.089 12.325) 15.317 10.790 ( 0.324 11.849 -0.468) 11.862 10.929 ( -0.249 -0.899 -0.277) 0.973 12.069 ( 0.013 -0.264 8.993) 8.997 12.118 ( -0.049 -8.097 5.555) 9.819 12.868 ( -3.013 8.637 -2.215) 9.412 12.961 ( 3.228 0.556 -2.120) 3.902 13.940 ( -0.264 2.802 -3.863) 4.779 17.498 ( 1.970 32.095 -4.008) 32.404 17.993 ( -4.120 1.377 -9.111) 10.093 18.443 ( 2.231 -2.261 -7.001) 7.688 18.992 ( -0.037 -26.362 9.912) 28.164 22.687 ( 0.006 -2.945 -1.331) 3.231 ======================= Grid point 181 (113/156) ======================= q-point: (-0.30 -0.16 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -1.688 -12.619 -2.377) 12.952 1.902 ( 9.383 4.870 9.888) 14.475 4.214 ( 2.506 -2.965 -6.756) 7.792 5.342 ( -0.114 1.492 -3.449) 3.760 5.443 ( -4.124 2.390 7.405) 8.806 5.919 ( 4.008 -4.661 -0.682) 6.185 6.541 ( 0.473 0.067 -2.353) 2.401 6.951 ( -3.068 4.180 0.320) 5.195 7.125 ( -3.593 3.288 -2.633) 5.537 7.365 ( 0.966 -3.076 1.015) 3.380 7.433 ( 9.953 -1.758 -4.558) 11.087 7.632 ( -0.859 -5.178 4.731) 7.066 8.347 ( -2.226 1.223 1.592) 2.998 8.682 ( -4.601 0.498 1.374) 4.827 8.711 ( 5.886 -0.220 -2.755) 6.502 9.306 ( 1.528 -3.077 2.755) 4.404 10.408 ( -7.761 4.402 -11.379) 14.460 10.564 ( -2.099 5.573 0.116) 5.956 11.116 ( -11.126 6.926 -0.681) 13.123 11.243 ( -3.279 10.964 6.432) 13.128 11.653 ( 6.093 -7.079 -0.213) 9.342 11.932 ( 5.870 -8.042 3.188) 10.454 12.835 ( -5.401 2.061 -0.116) 5.782 13.019 ( 0.684 5.356 -6.784) 8.671 13.303 ( 7.090 -8.931 5.253) 12.555 15.915 ( 6.303 -7.733 -3.385) 10.535 17.205 ( 3.450 -2.142 -2.040) 4.544 19.392 ( -1.367 2.403 -21.905) 22.079 19.847 ( -4.310 2.982 23.048) 23.637 22.955 ( -1.421 1.351 -1.808) 2.667 ======================= Grid point 193 (114/156) ======================= q-point: ( 0.26 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 12.720 25.305 -4.386) 28.660 1.957 ( 1.710 22.517 6.472) 23.491 2.605 ( -6.576 13.567 22.912) 27.427 5.483 ( -1.944 0.017 -1.753) 2.618 5.941 ( -1.149 -4.866 7.158) 8.732 6.113 ( -2.385 -1.312 -7.219) 7.715 6.192 ( 0.994 -1.790 5.254) 5.639 6.421 ( -2.160 -4.932 4.243) 6.856 6.942 ( 1.526 4.226 -7.418) 8.673 7.373 ( 2.251 3.073 0.013) 3.809 7.679 ( 7.920 -4.609 2.094) 9.400 7.899 ( 0.600 4.155 1.856) 4.590 8.177 ( -6.252 -4.815 3.143) 8.494 8.862 ( -2.947 -9.914 1.717) 10.484 9.187 ( 4.124 -2.310 -1.172) 4.870 9.488 ( -2.338 -13.853 -6.504) 15.482 9.776 ( 8.413 -9.401 0.769) 12.639 9.969 ( -5.315 -11.941 1.597) 13.168 10.863 ( 6.751 -2.847 3.625) 8.174 11.648 ( -2.512 -10.642 3.859) 11.595 11.875 ( 0.110 12.023 -12.705) 17.492 12.467 ( 4.535 -6.615 3.005) 8.565 12.763 ( -16.189 5.155 -9.103) 19.275 12.995 ( -0.460 -2.539 0.697) 2.673 13.654 ( 7.439 4.517 -13.282) 15.879 15.222 ( -2.522 -6.963 28.446) 29.395 16.616 ( 8.554 18.354 7.503) 21.595 18.219 ( -0.088 9.564 2.404) 9.862 21.104 ( 0.026 -7.979 -9.298) 12.253 22.473 ( -5.446 -3.556 1.158) 6.606 ======================= Grid point 194 (115/156) ======================= q-point: ( 0.26 -0.17 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -11.233 13.759 -2.325) 17.913 2.504 ( 6.408 16.460 7.453) 19.171 2.837 ( 9.349 5.083 10.171) 14.720 5.531 ( -1.422 8.575 -4.441) 9.761 5.845 ( -3.448 0.259 2.869) 4.493 6.000 ( -1.858 -3.165 -4.010) 5.436 6.207 ( 2.188 -0.294 3.858) 4.445 6.408 ( 4.235 -0.492 6.691) 7.934 7.017 ( -1.723 3.457 -7.855) 8.753 7.491 ( -0.706 4.378 -0.637) 4.480 7.569 ( -2.369 -14.382 3.493) 14.988 7.830 ( -2.014 -3.666 0.864) 4.271 8.129 ( 0.105 6.418 -0.272) 6.425 8.594 ( -6.007 -2.960 3.806) 7.702 9.058 ( -8.917 -11.177 -2.899) 14.589 9.179 ( 1.375 -3.212 4.688) 5.847 9.651 ( 1.665 -8.507 5.243) 10.131 9.820 ( 12.382 -13.360 -6.278) 19.267 11.070 ( 18.183 -4.668 5.071) 19.445 11.241 ( -5.745 -16.165 3.833) 17.578 12.087 ( 0.449 6.639 -11.713) 13.471 12.313 ( 2.676 -10.653 2.140) 11.191 12.604 ( -13.113 8.385 -2.170) 15.715 13.060 ( 2.628 3.403 -0.657) 4.350 13.770 ( -0.389 0.834 -7.402) 7.459 15.093 ( -4.660 2.476 16.177) 17.016 17.173 ( -1.342 19.484 4.708) 20.090 18.338 ( -5.922 8.790 2.008) 10.787 20.954 ( 10.318 -15.706 -8.909) 20.797 22.333 ( -0.546 -1.970 5.430) 5.802 ======================= Grid point 195 (116/156) ======================= q-point: ( 0.26 -0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -17.515 7.230 2.792) 19.153 2.773 ( -4.235 4.316 17.607) 18.617 3.054 ( 5.009 -1.183 -6.424) 8.231 5.726 ( -7.388 3.648 -6.189) 10.305 5.738 ( 0.615 4.898 -4.628) 6.767 5.982 ( 2.018 1.066 3.806) 4.438 6.243 ( 0.543 -0.994 4.018) 4.175 6.505 ( 5.388 -2.057 5.177) 7.750 7.037 ( -3.429 3.557 -7.662) 9.117 7.192 ( -2.861 -6.491 2.315) 7.462 7.494 ( -3.628 3.139 -3.482) 5.928 7.864 ( 2.768 0.539 7.241) 7.771 8.131 ( -2.315 -4.400 1.891) 5.319 8.578 ( -3.991 11.915 2.046) 12.731 8.813 ( 1.551 -1.881 -3.978) 4.665 9.177 ( 5.730 -3.270 6.541) 9.291 9.533 ( 3.411 -8.974 3.683) 10.282 9.830 ( 13.541 -11.354 -2.512) 17.848 10.830 ( -0.614 -13.551 3.373) 13.978 11.346 ( 16.882 -6.191 4.101) 18.443 12.165 ( -2.897 0.509 -10.369) 10.778 12.191 ( 6.478 -6.414 -0.070) 9.117 12.623 ( -5.338 12.425 1.356) 13.591 13.148 ( 0.380 0.756 -4.103) 4.189 13.728 ( -4.300 0.585 -2.745) 5.136 15.091 ( -4.061 5.213 13.741) 15.247 17.255 ( -20.973 12.006 2.150) 24.262 18.406 ( -5.495 8.223 2.342) 10.164 20.892 ( 16.522 -16.622 -7.061) 24.477 22.366 ( 4.623 -0.134 4.660) 6.565 ======================= Grid point 197 (117/156) ======================= q-point: ( 0.26 -0.17 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -21.012 14.342 4.517) 25.838 2.505 ( -17.256 -5.543 7.035) 19.442 2.975 ( -3.333 -8.126 6.103) 10.696 5.570 ( -6.092 -0.093 -6.661) 9.027 5.876 ( 0.178 3.548 4.294) 5.574 6.072 ( 1.926 2.447 2.310) 3.877 6.184 ( 1.307 -3.744 2.087) 4.482 6.479 ( 2.235 -7.391 1.941) 7.962 7.006 ( -5.037 2.336 -9.489) 10.994 7.263 ( 6.597 5.188 -2.303) 8.703 7.501 ( -2.814 1.954 2.646) 4.328 7.984 ( 5.524 5.079 8.759) 11.534 8.016 ( -3.114 0.503 2.830) 4.238 8.765 ( 2.168 4.327 1.934) 5.212 8.999 ( 6.872 5.505 -7.147) 11.341 9.264 ( 5.128 0.147 4.800) 7.026 9.472 ( 8.685 -3.412 -1.539) 9.457 9.893 ( 12.553 -9.662 4.272) 16.407 10.703 ( 7.387 -4.933 2.395) 9.200 11.513 ( 11.700 -5.930 3.980) 13.707 12.071 ( -6.217 -0.073 -11.962) 13.481 12.265 ( 6.527 0.194 1.627) 6.730 12.850 ( 2.948 8.262 0.728) 8.802 13.082 ( -1.759 -6.279 -8.549) 10.752 13.640 ( -6.879 3.821 -3.754) 8.719 15.133 ( -1.068 4.081 19.611) 20.060 16.939 ( -23.400 5.887 3.337) 24.359 18.386 ( -9.310 4.286 2.215) 10.485 20.953 ( 14.672 -9.171 -7.011) 18.669 22.462 ( 5.855 -2.656 2.816) 7.019 ======================= Grid point 201 (118/156) ======================= q-point: ( 0.54 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -0.008 27.895 -8.852) 29.266 2.874 ( 0.605 2.262 1.064) 2.572 4.347 ( -1.327 6.808 18.573) 19.826 5.229 ( 1.947 2.499 -6.312) 7.063 5.470 ( -1.922 -3.479 -8.134) 9.054 6.315 ( -2.241 8.600 -2.365) 9.196 6.495 ( 1.783 3.331 3.410) 5.090 6.685 ( 0.346 -4.246 6.381) 7.672 6.905 ( 1.449 -0.887 11.742) 11.864 7.320 ( 1.612 -3.597 -0.030) 3.942 7.579 ( -0.797 -3.339 -1.691) 3.826 7.839 ( 2.680 -0.024 -2.896) 3.946 8.274 ( -5.438 -9.605 2.933) 11.421 8.680 ( 0.965 3.633 0.321) 3.773 8.958 ( -2.253 -5.070 -3.100) 6.355 9.154 ( 3.849 -4.265 5.625) 8.040 9.541 ( -1.908 -11.134 9.191) 14.562 10.240 ( -3.272 12.009 6.020) 13.826 10.587 ( 2.698 -6.897 -24.374) 25.474 10.896 ( 3.098 -6.869 3.509) 8.312 11.688 ( -0.662 -8.157 10.939) 13.662 12.200 ( -0.602 -10.536 3.376) 11.080 12.734 ( -4.042 12.728 -3.379) 13.776 12.996 ( 4.814 1.478 -0.938) 5.122 13.858 ( -0.662 5.491 2.524) 6.079 16.588 ( -2.756 15.264 16.364) 22.547 17.982 ( 5.867 9.724 7.286) 13.493 18.629 ( -2.091 2.331 -1.281) 3.383 19.629 ( -1.285 -16.645 -14.414) 22.056 22.673 ( -0.160 -3.990 4.994) 6.394 ======================= Grid point 202 (119/156) ======================= q-point: (-0.46 -0.18 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -11.596 9.123 -2.804) 15.019 2.752 ( -5.905 8.037 -4.711) 11.029 4.426 ( -5.209 6.179 18.172) 19.889 5.323 ( -4.535 -2.714 -7.112) 8.861 5.364 ( 4.307 2.769 -7.768) 9.304 6.436 ( -2.800 6.177 -0.892) 6.840 6.531 ( -4.489 0.460 3.189) 5.526 6.649 ( 2.000 -1.064 6.368) 6.758 6.895 ( 1.437 -2.609 14.222) 14.531 7.256 ( 3.703 -4.964 -2.667) 6.743 7.531 ( 1.835 -0.941 -3.144) 3.760 7.919 ( -5.929 -0.450 1.143) 6.055 8.048 ( 5.787 1.597 0.135) 6.005 8.751 ( -2.349 -0.397 0.676) 2.476 8.847 ( 3.212 0.800 -0.805) 3.406 9.228 ( 7.730 -12.234 7.130) 16.133 9.314 ( 8.415 -5.107 10.432) 14.343 10.433 ( 3.471 1.513 -25.557) 25.836 10.499 ( -7.612 4.673 4.749) 10.116 10.845 ( -0.968 -2.834 2.327) 3.792 11.556 ( 8.689 -7.906 13.694) 18.043 12.075 ( 5.963 -5.681 3.359) 8.894 12.891 ( -3.155 8.886 -2.133) 9.667 13.005 ( -4.446 -1.792 -1.062) 4.909 13.916 ( -3.029 3.511 2.439) 5.240 16.783 ( -9.483 11.495 23.629) 27.936 18.018 ( -17.227 13.087 -4.713) 22.142 18.758 ( 3.537 -2.282 3.432) 5.431 19.391 ( 15.643 -14.634 -15.785) 26.609 22.627 ( 3.014 -2.918 5.211) 6.690 ======================= Grid point 208 (120/156) ======================= q-point: (-0.18 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 0.000 0.000 -18.529) 18.529 2.290 ( 0.000 0.000 -18.529) 18.529 4.196 ( 0.000 0.000 -31.732) 31.732 5.283 ( -0.000 -0.000 8.656) 8.656 5.283 ( -0.000 -0.000 8.656) 8.656 6.274 ( 0.000 0.000 -4.899) 4.899 6.949 ( 0.000 0.000 -3.832) 3.832 7.086 ( -0.000 -0.000 1.588) 1.588 7.086 ( -0.000 -0.000 1.588) 1.588 7.128 ( -0.000 -0.000 5.205) 5.205 7.962 ( -0.000 -0.000 2.580) 2.580 7.962 ( -0.000 -0.000 2.580) 2.580 8.147 ( -0.000 -0.000 11.560) 11.560 8.878 ( 0.000 0.000 -9.967) 9.967 9.049 ( -0.000 -0.000 5.769) 5.769 9.049 ( -0.000 -0.000 5.769) 5.769 9.613 ( -0.000 -0.000 18.379) 18.379 9.936 ( -0.000 -0.000 11.151) 11.151 10.861 ( 0.000 0.000 -4.936) 4.936 10.861 ( 0.000 0.000 -4.936) 4.936 12.043 ( -0.000 -0.000 0.520) 0.520 12.357 ( -0.000 -0.000 12.059) 12.059 12.910 ( 0.000 0.000 -3.096) 3.096 12.910 ( 0.000 0.000 -3.096) 3.096 13.850 ( 0.000 0.000 -7.225) 7.225 17.367 ( 0.000 0.000 -25.123) 25.123 18.245 ( 0.000 0.000 -8.564) 8.564 18.245 ( 0.000 0.000 -8.564) 8.564 18.869 ( -0.000 -0.000 29.033) 29.033 22.575 ( 0.000 0.000 -6.115) 6.115 ======================= Grid point 211 (121/156) ======================= q-point: (-0.18 -0.18 0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 7.389 -4.074 3.035) 8.967 2.116 ( -6.379 5.445 10.100) 13.128 3.984 ( -3.291 -4.347 -16.207) 17.100 5.307 ( 0.081 1.452 1.104) 1.826 5.688 ( 1.629 4.599 12.106) 13.052 5.783 ( 2.193 -6.650 -5.236) 8.744 6.545 ( -6.268 -3.126 -2.784) 7.537 6.868 ( 6.441 7.084 -7.561) 12.200 7.016 ( 0.320 0.958 -2.939) 3.107 7.307 ( -5.767 4.390 -0.655) 7.277 7.483 ( -4.581 -8.721 -1.260) 9.932 7.820 ( 0.291 -6.892 10.429) 12.504 8.448 ( 5.843 -1.864 -0.859) 6.193 8.541 ( -4.821 5.743 -0.090) 7.499 8.689 ( -2.079 -2.469 -4.628) 5.642 9.447 ( 0.677 -2.533 10.014) 10.352 10.151 ( 3.513 0.853 -14.208) 14.661 10.428 ( 2.261 4.402 -9.369) 10.596 11.254 ( 4.872 9.761 7.726) 13.368 11.464 ( 1.464 8.466 7.118) 11.157 11.577 ( -2.539 -7.388 -0.410) 7.823 12.015 ( -1.718 -7.486 5.956) 9.719 12.706 ( 4.491 5.218 -4.565) 8.261 13.073 ( -10.785 -9.070 -5.905) 15.279 13.324 ( 2.572 2.896 6.905) 7.918 15.778 ( -4.909 -8.868 -10.159) 14.351 17.085 ( -2.828 1.046 -6.686) 7.334 18.950 ( 2.213 2.645 -19.535) 19.837 20.346 ( 3.242 1.885 23.456) 23.754 22.887 ( 1.147 0.833 -5.101) 5.294 ======================= Grid point 222 (122/156) ======================= q-point: ( 0.38 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 2.416 22.528 -9.883) 24.719 2.495 ( 3.183 13.201 7.609) 15.566 3.263 ( -2.231 4.041 25.593) 26.006 5.445 ( 0.250 1.492 -4.777) 5.010 5.864 ( -0.947 -0.703 -9.148) 9.224 6.057 ( -7.423 1.213 5.511) 9.324 6.310 ( 1.627 0.137 6.637) 6.835 6.523 ( 2.204 -1.191 9.289) 9.621 6.824 ( 1.324 1.894 -9.340) 9.621 7.406 ( 9.980 -6.810 -1.636) 12.193 7.541 ( -2.402 2.771 1.271) 3.881 8.038 ( -0.615 -0.948 1.887) 2.199 8.172 ( -6.068 -4.264 4.581) 8.717 8.734 ( -2.945 -4.978 1.001) 5.870 9.141 ( -3.289 -8.726 -1.964) 9.530 9.157 ( 8.105 -1.410 -0.016) 8.227 9.523 ( 3.827 -11.481 0.316) 12.106 9.849 ( -6.987 -6.099 6.284) 11.203 10.850 ( 10.863 -7.455 5.484) 14.271 11.506 ( -6.006 -11.639 6.856) 14.783 11.728 ( 0.815 4.183 -20.377) 20.818 12.320 ( 1.041 -11.085 2.164) 11.343 12.713 ( -7.949 9.934 -9.121) 15.655 12.989 ( 3.990 0.292 0.360) 4.017 13.648 ( 1.498 6.071 -0.980) 6.329 15.628 ( -3.999 -1.803 22.904) 23.321 17.237 ( 8.676 21.111 9.714) 24.806 18.469 ( -1.533 8.295 2.398) 8.770 20.603 ( -1.472 -14.260 -14.599) 20.461 22.494 ( -2.150 -3.433 6.399) 7.573 ======================= Grid point 223 (123/156) ======================= q-point: ( 0.38 -0.19 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -10.853 12.967 -1.744) 16.999 2.812 ( 4.862 7.400 -2.214) 9.127 3.317 ( -3.622 5.675 24.961) 25.853 5.558 ( 2.717 5.970 -6.522) 9.249 5.735 ( -6.918 -2.944 -8.933) 11.676 6.051 ( -0.933 6.112 5.407) 8.214 6.358 ( 1.030 0.201 7.403) 7.477 6.557 ( 2.823 -1.919 7.352) 8.106 6.866 ( -0.109 0.722 -10.737) 10.762 7.345 ( 0.067 -7.998 2.434) 8.361 7.574 ( -4.856 2.782 -0.052) 5.597 7.852 ( -2.755 0.620 2.322) 3.656 8.125 ( 4.363 -2.432 -1.900) 5.344 8.690 ( 0.386 1.821 4.030) 4.439 8.838 ( -5.563 -7.240 0.700) 9.157 9.181 ( 6.564 -7.560 5.086) 11.230 9.402 ( 9.760 -14.682 -2.131) 17.758 9.770 ( -2.599 6.484 9.341) 11.664 10.895 ( 4.874 -13.094 2.444) 14.184 11.201 ( 6.808 -8.173 11.546) 15.699 11.803 ( 1.372 0.630 -23.909) 23.956 12.114 ( 3.521 -10.185 2.232) 11.005 12.772 ( -6.588 9.908 -1.813) 12.035 13.070 ( 0.862 0.546 -1.772) 2.045 13.747 ( -1.718 3.712 -0.425) 4.113 15.575 ( -5.140 5.669 22.558) 23.820 17.684 ( -11.689 19.082 3.340) 22.625 18.563 ( -4.114 7.456 2.219) 8.800 20.353 ( 12.736 -18.566 -12.290) 25.651 22.421 ( 2.323 -3.056 7.318) 8.264 ======================= Grid point 224 (124/156) ======================= q-point: ( 0.38 -0.19 -0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -16.998 11.255 2.718) 20.567 2.805 ( -8.434 -4.597 -4.974) 10.816 3.348 ( -3.743 3.480 24.565) 25.091 5.532 ( -5.953 -1.436 -8.581) 10.542 5.771 ( 3.781 5.291 -6.575) 9.248 6.160 ( 0.743 1.314 8.569) 8.701 6.343 ( -3.182 0.214 5.947) 6.749 6.507 ( 0.705 -4.591 2.943) 5.498 6.852 ( -0.891 -0.076 -10.542) 10.580 7.192 ( -1.506 1.392 2.843) 3.506 7.602 ( -1.747 4.153 0.876) 4.590 7.951 ( 5.054 1.419 -3.230) 6.164 8.136 ( 3.041 -2.939 8.348) 9.358 8.705 ( 2.110 0.447 -4.239) 4.756 8.825 ( 3.063 5.107 4.686) 7.577 9.229 ( 11.524 -7.754 1.224) 13.944 9.291 ( 6.113 -8.109 3.197) 10.646 9.879 ( -0.177 2.714 10.021) 10.384 10.658 ( 2.655 -6.725 4.143) 8.333 11.347 ( 14.683 -5.908 8.181) 17.817 11.794 ( -1.270 -1.339 -23.967) 24.038 12.108 ( 9.547 -3.339 2.311) 10.374 12.868 ( -2.707 8.036 0.524) 8.496 13.006 ( -4.952 -2.742 -5.932) 8.199 13.737 ( -4.685 1.827 0.705) 5.078 15.616 ( -2.564 4.891 24.089) 24.714 17.557 ( -26.200 11.459 2.707) 28.724 18.602 ( -6.065 4.405 2.209) 7.814 20.376 ( 19.621 -12.427 -11.735) 26.021 22.448 ( 5.011 -2.524 6.462) 8.558 ======================= Grid point 229 (125/156) ======================= q-point: (-0.34 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 1.851 20.928 -7.720) 22.383 2.825 ( -1.842 -1.254 -6.058) 6.454 4.756 ( -0.223 4.317 6.108) 7.483 5.172 ( 0.217 2.355 -4.343) 4.945 5.240 ( -0.077 -3.431 -4.974) 6.043 6.387 ( 0.216 6.233 -4.964) 7.971 6.742 ( 0.142 5.348 8.766) 10.269 6.801 ( -0.196 -0.140 8.904) 8.908 7.096 ( -0.025 -1.814 4.261) 4.631 7.133 ( 0.239 -6.761 -2.367) 7.167 7.524 ( -0.523 0.471 6.147) 6.187 7.924 ( 0.377 3.920 1.583) 4.245 8.073 ( 0.299 -8.489 -1.424) 8.613 8.793 ( -0.397 3.446 2.384) 4.209 8.853 ( 0.083 0.194 0.390) 0.443 9.208 ( -0.098 -5.101 7.692) 9.231 9.517 ( -0.181 -10.393 12.867) 16.541 9.776 ( 0.066 -10.133 -24.976) 26.953 10.753 ( 0.085 13.751 4.126) 14.357 10.908 ( 0.159 0.467 2.243) 2.297 11.777 ( 0.049 -7.410 15.710) 17.369 12.068 ( -0.126 -7.253 2.448) 7.656 12.914 ( -2.780 8.492 -2.127) 9.185 12.998 ( 2.987 0.885 -1.495) 3.456 13.981 ( -0.195 3.022 -0.117) 3.030 17.359 ( -0.458 24.420 16.415) 29.428 18.158 ( 0.987 4.880 -6.508) 8.194 18.572 ( -0.300 -0.529 -5.498) 5.532 18.976 ( -0.246 -22.711 -7.286) 23.852 22.674 ( -0.005 -2.891 2.402) 3.758 ======================= Grid point 233 (126/156) ======================= q-point: ( 0.66 -0.20 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 8.089 6.357 3.931) 11.013 1.924 ( -3.099 -10.962 -8.278) 14.082 4.222 ( 3.646 -3.236 6.042) 7.763 5.329 ( -2.485 1.239 3.355) 4.355 5.464 ( -1.160 2.514 -8.424) 8.868 5.891 ( 2.896 -1.589 3.540) 4.842 6.569 ( 2.163 -3.257 -0.273) 3.919 6.938 ( -4.265 5.157 1.105) 6.782 7.107 ( -3.743 3.719 3.798) 6.501 7.334 ( -4.039 -5.345 1.607) 6.889 7.501 ( 11.188 -7.505 0.081) 13.472 7.634 ( 4.572 0.452 -6.285) 7.785 8.372 ( 0.644 -0.185 -3.972) 4.029 8.619 ( -6.574 2.365 4.264) 8.185 8.740 ( 3.681 -0.653 0.340) 3.754 9.312 ( 3.330 -2.247 -3.243) 5.163 10.422 ( -2.674 6.753 11.311) 13.442 10.544 ( -7.782 3.467 -0.208) 8.522 11.149 ( -7.264 5.186 -0.340) 8.932 11.264 ( -6.222 7.083 -10.096) 13.814 11.631 ( 4.941 -7.049 2.556) 8.980 11.924 ( 7.848 -4.781 -2.364) 9.489 12.796 ( -5.707 4.340 3.584) 8.016 13.165 ( 3.660 6.393 -5.339) 9.098 13.199 ( 3.703 -13.363 3.166) 14.223 15.917 ( 7.921 -6.413 3.274) 10.704 17.193 ( 0.979 -2.367 3.195) 4.095 19.381 ( -3.433 2.482 21.943) 22.349 19.861 ( -1.773 3.043 -23.282) 23.547 22.957 ( -1.218 1.289 1.666) 2.433 ======================= Grid point 244 (127/156) ======================= q-point: ( 0.21 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 23.846 23.442 -0.000) 33.439 1.912 ( -0.710 23.635 0.000) 23.646 2.339 ( -13.622 20.549 0.000) 24.654 5.518 ( -2.935 2.223 0.000) 3.681 5.819 ( 0.577 -2.348 -0.000) 2.417 6.138 ( -0.423 -3.394 -0.000) 3.420 6.213 ( 0.201 -2.556 -0.000) 2.564 6.372 ( -3.348 -4.717 -0.000) 5.784 7.033 ( 0.073 5.180 0.000) 5.180 7.384 ( 0.628 1.956 0.000) 2.054 7.628 ( 7.801 1.063 -0.000) 7.873 7.887 ( 3.327 -0.388 -0.000) 3.350 8.143 ( -4.690 -4.802 -0.000) 6.713 8.839 ( -2.859 -10.683 -0.000) 11.059 9.195 ( 2.369 -3.641 -0.000) 4.343 9.605 ( -3.677 -15.073 -0.000) 15.515 9.715 ( 3.491 -8.802 -0.000) 9.469 9.965 ( 2.839 -12.425 -0.000) 12.745 10.822 ( 5.437 -3.750 -0.000) 6.605 11.606 ( -2.198 -10.718 -0.000) 10.941 12.025 ( 0.177 11.804 0.000) 11.805 12.417 ( 3.079 -6.351 -0.000) 7.058 12.858 ( -16.878 4.069 0.000) 17.362 12.985 ( -0.623 -2.573 -0.000) 2.647 13.905 ( 8.477 -4.062 -0.000) 9.400 14.817 ( -0.061 4.119 0.000) 4.120 16.540 ( 7.020 19.535 0.000) 20.758 18.194 ( 0.177 10.000 0.000) 10.002 21.197 ( 1.070 -8.071 -0.000) 8.141 22.468 ( -6.978 -6.598 0.000) 9.603 ======================= Grid point 245 (128/156) ======================= q-point: ( 0.21 -0.21 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -14.642 11.589 0.000) 18.674 2.366 ( 2.218 15.119 0.000) 15.281 2.771 ( 18.532 9.450 -0.000) 20.802 5.598 ( -3.537 12.775 0.000) 13.255 5.798 ( 0.117 -0.280 -0.000) 0.303 6.014 ( -3.060 -3.037 0.000) 4.312 6.194 ( 2.788 -3.036 -0.000) 4.122 6.336 ( 3.597 -0.076 -0.000) 3.597 7.108 ( -2.885 4.375 0.000) 5.240 7.501 ( 1.440 5.877 0.000) 6.051 7.521 ( -4.675 -14.317 -0.000) 15.061 7.822 ( -0.813 -5.480 -0.000) 5.540 8.130 ( 0.028 6.395 0.000) 6.395 8.551 ( -6.753 -3.012 0.000) 7.394 9.098 ( -9.687 -11.988 -0.000) 15.412 9.125 ( 0.154 -3.658 -0.000) 3.661 9.593 ( 2.415 -8.429 -0.000) 8.768 9.890 ( 13.322 -14.642 -0.000) 19.796 11.007 ( 16.494 -3.918 -0.000) 16.953 11.205 ( -3.283 -17.491 -0.000) 17.796 12.226 ( -1.250 7.579 0.000) 7.681 12.275 ( 3.550 -10.076 -0.000) 10.683 12.623 ( -14.689 6.752 0.000) 16.167 13.068 ( 2.825 4.441 0.000) 5.263 13.873 ( -1.185 -3.396 -0.000) 3.597 14.902 ( -1.643 4.978 0.000) 5.242 17.124 ( -0.921 21.019 0.000) 21.039 18.318 ( -6.621 9.303 0.000) 11.419 21.049 ( 10.560 -16.757 -0.000) 19.807 22.273 ( -1.176 -1.941 -0.000) 2.270 ======================= Grid point 246 (129/156) ======================= q-point: ( 0.21 -0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -18.807 7.084 0.000) 20.097 2.576 ( -3.679 4.612 0.000) 5.900 3.122 ( 6.573 -2.927 -0.000) 7.195 5.784 ( -1.765 0.080 0.000) 1.767 5.804 ( -7.180 11.328 0.000) 13.412 5.946 ( 0.788 0.288 -0.000) 0.839 6.192 ( 3.038 -3.055 -0.000) 4.309 6.445 ( 5.398 -0.731 -0.000) 5.448 7.118 ( -4.325 4.247 0.000) 6.061 7.166 ( -1.140 -4.781 -0.000) 4.915 7.587 ( -4.139 2.535 0.000) 4.854 7.728 ( 0.659 -2.013 -0.000) 2.118 8.111 ( -3.235 -3.975 -0.000) 5.125 8.555 ( -3.351 11.924 0.000) 12.386 8.872 ( 3.042 0.193 -0.000) 3.048 9.096 ( 4.771 -4.077 -0.000) 6.276 9.491 ( 3.347 -6.547 -0.000) 7.352 9.862 ( 14.468 -15.860 -0.000) 21.468 10.792 ( -0.641 -12.639 -0.000) 12.655 11.301 ( 18.109 -7.201 -0.000) 19.488 12.175 ( 6.501 -8.560 -0.000) 10.749 12.291 ( -3.994 3.810 0.000) 5.520 12.608 ( -5.864 12.863 0.000) 14.137 13.190 ( 2.043 1.105 -0.000) 2.322 13.765 ( -4.393 -0.656 0.000) 4.442 14.941 ( -3.796 3.867 0.000) 5.419 17.232 ( -21.299 12.562 0.000) 24.728 18.383 ( -6.154 8.929 0.000) 10.844 20.966 ( 16.568 -17.412 -0.000) 24.035 22.316 ( 4.968 0.509 -0.000) 4.994 ======================= Grid point 248 (130/156) ======================= q-point: ( 0.21 -0.21 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -22.448 15.664 0.000) 27.373 2.389 ( -14.760 -2.740 0.000) 15.013 2.943 ( -6.421 -13.100 -0.000) 14.589 5.691 ( -11.253 1.095 0.000) 11.306 5.769 ( 0.301 0.735 0.000) 0.795 6.030 ( 2.911 2.624 -0.000) 3.919 6.193 ( 3.002 -2.858 -0.000) 4.145 6.458 ( 2.632 -7.317 -0.000) 7.776 7.107 ( -4.539 3.072 0.000) 5.481 7.307 ( 9.109 5.899 -0.000) 10.852 7.469 ( -5.625 -0.918 0.000) 5.699 7.885 ( 6.622 7.239 0.000) 9.811 7.972 ( -5.317 2.111 0.000) 5.721 8.744 ( 2.779 3.446 0.000) 4.427 9.104 ( 2.224 -2.120 -0.000) 3.072 9.184 ( 12.089 9.882 -0.000) 15.614 9.499 ( 6.178 -0.354 -0.000) 6.188 9.842 ( 14.546 -14.338 -0.000) 20.424 10.677 ( 7.535 -5.274 -0.000) 9.197 11.468 ( 12.233 -6.557 -0.000) 13.879 12.221 ( -7.703 1.375 0.000) 7.825 12.226 ( 7.537 -0.804 -0.000) 7.580 12.841 ( 2.421 8.725 0.000) 9.055 13.170 ( 0.833 -7.072 -0.000) 7.121 13.704 ( -4.245 6.263 0.000) 7.566 14.903 ( -4.938 1.598 0.000) 5.190 16.904 ( -24.175 5.452 0.000) 24.782 18.363 ( -9.937 4.853 0.000) 11.059 21.025 ( 14.804 -8.725 -0.000) 17.184 22.434 ( 7.034 -2.865 -0.000) 7.595 ======================= Grid point 252 (131/156) ======================= q-point: ( 0.49 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -0.660 22.887 -8.547) 24.440 2.819 ( 1.980 5.582 4.001) 7.147 3.897 ( -1.149 6.514 24.418) 25.298 5.369 ( 1.590 3.705 -7.109) 8.173 5.647 ( -1.819 -2.506 -8.776) 9.306 6.279 ( -8.113 6.758 5.384) 11.853 6.427 ( 5.308 0.049 4.956) 7.262 6.641 ( 3.877 -2.876 2.512) 5.442 6.699 ( -0.404 -1.044 1.466) 1.844 7.298 ( 3.176 -1.743 1.593) 3.958 7.608 ( -1.203 0.076 -1.157) 1.671 7.928 ( 4.444 -2.854 -4.535) 6.962 8.175 ( -9.652 -7.274 5.935) 13.465 8.692 ( 3.240 1.251 -0.511) 3.511 8.993 ( -7.357 -6.843 0.966) 10.094 9.051 ( 7.896 -6.915 2.387) 10.764 9.372 ( -0.521 -12.675 6.957) 14.468 10.063 ( -4.122 11.346 9.612) 15.432 10.799 ( 7.531 -5.597 4.656) 10.475 11.193 ( 0.113 -3.390 -30.323) 30.512 11.450 ( -2.706 -12.603 11.722) 17.423 12.132 ( -0.082 -10.606 3.167) 11.069 12.813 ( -4.301 10.887 -4.265) 12.459 13.009 ( 4.346 1.298 -0.306) 4.546 13.799 ( -0.298 5.276 2.765) 5.965 16.164 ( -2.453 7.169 23.827) 25.003 17.846 ( 5.624 19.558 5.621) 21.113 18.642 ( -1.857 5.093 -0.113) 5.422 19.939 ( -1.285 -18.852 -14.730) 23.958 22.550 ( -0.439 -4.300 6.766) 8.029 ======================= Grid point 253 (132/156) ======================= q-point: ( 0.49 -0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -10.314 11.103 0.513) 15.163 2.838 ( -4.882 3.326 -3.498) 6.865 3.974 ( -4.595 5.404 24.813) 25.807 5.491 ( -6.237 -1.581 -8.789) 10.892 5.536 ( 3.247 4.665 -8.543) 10.261 6.322 ( -1.631 6.064 6.911) 9.338 6.517 ( 2.171 1.066 7.466) 7.848 6.580 ( -2.745 -7.575 4.041) 9.013 6.676 ( 2.432 -0.454 -2.400) 3.447 7.288 ( 1.103 -3.049 0.016) 3.243 7.606 ( -0.574 1.692 -3.458) 3.892 7.883 ( -5.545 -0.519 1.335) 5.727 8.060 ( 8.442 0.674 -0.472) 8.482 8.728 ( -4.724 -1.790 0.827) 5.119 8.835 ( 5.619 1.257 3.409) 6.691 9.101 ( 4.940 -12.711 4.900) 14.491 9.145 ( 12.248 -6.753 5.314) 14.962 10.247 ( -8.556 12.714 12.472) 19.758 10.748 ( -1.532 -5.809 3.873) 7.148 11.144 ( 2.255 -2.478 -28.233) 28.431 11.290 ( 11.928 -9.116 8.272) 17.140 12.004 ( 5.776 -5.725 3.424) 8.824 12.927 ( -3.013 7.456 -1.313) 8.148 13.029 ( -3.238 -1.286 -1.395) 3.753 13.856 ( -2.646 2.879 2.944) 4.895 16.242 ( -5.110 6.516 27.722) 28.932 18.081 ( -20.086 15.866 -1.714) 25.654 18.717 ( -1.107 2.921 0.890) 3.248 19.697 ( 17.479 -16.526 -13.574) 27.620 22.500 ( 3.191 -2.931 6.892) 8.141 ======================= Grid point 260 (133/156) ======================= q-point: (-0.23 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 0.000 0.000 -12.491) 12.491 2.610 ( 0.000 0.000 -12.491) 12.491 4.690 ( 0.000 0.000 -15.263) 15.263 5.171 ( -0.000 -0.000 2.015) 2.015 5.171 ( -0.000 -0.000 2.015) 2.015 6.367 ( 0.000 0.000 -4.178) 4.178 6.992 ( -0.000 -0.000 7.342) 7.342 6.992 ( -0.000 -0.000 7.342) 7.342 7.032 ( 0.000 0.000 -3.876) 3.876 7.046 ( -0.000 -0.000 2.026) 2.026 7.853 ( -0.000 -0.000 16.332) 16.332 7.943 ( 0.000 0.000 -0.664) 0.664 7.943 ( 0.000 0.000 -0.664) 0.664 8.941 ( -0.000 -0.000 4.619) 4.619 8.941 ( -0.000 -0.000 4.619) 4.619 9.170 ( 0.000 0.000 -18.750) 18.750 9.298 ( -0.000 -0.000 12.184) 12.184 9.686 ( -0.000 -0.000 12.852) 12.852 10.929 ( 0.000 0.000 -1.573) 1.573 10.929 ( 0.000 0.000 -1.573) 1.573 12.019 ( -0.000 -0.000 2.837) 2.837 12.059 ( -0.000 -0.000 15.464) 15.464 12.967 ( 0.000 0.000 -2.404) 2.404 12.967 ( 0.000 0.000 -2.404) 2.404 13.969 ( 0.000 0.000 -4.084) 4.084 17.877 ( 0.000 0.000 -23.782) 23.782 18.272 ( -0.000 -0.000 28.966) 28.966 18.417 ( 0.000 0.000 -7.882) 7.882 18.417 ( 0.000 0.000 -7.882) 7.882 22.652 ( 0.000 0.000 -1.496) 1.496 ======================= Grid point 274 (134/156) ======================= q-point: ( 0.33 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 16.352 20.278 -1.438) 26.089 2.386 ( -5.122 17.182 2.579) 18.114 2.802 ( -5.963 5.851 16.567) 18.555 5.558 ( -0.984 5.978 -6.379) 8.798 5.897 ( -1.247 0.716 6.324) 6.485 6.067 ( -3.439 -2.831 -6.186) 7.623 6.161 ( 1.956 -0.563 6.868) 7.163 6.377 ( -1.627 0.506 4.326) 4.649 7.033 ( 0.240 3.999 -9.306) 10.132 7.425 ( 8.389 -3.739 -0.744) 9.215 7.520 ( 0.617 -1.351 1.562) 2.155 7.949 ( -4.509 -2.038 4.498) 6.687 8.120 ( 2.710 -1.488 1.705) 3.531 8.686 ( -5.707 -5.761 2.595) 8.514 9.132 ( 4.153 -5.136 0.481) 6.622 9.234 ( -5.214 -7.998 -4.555) 10.579 9.540 ( 8.921 -12.602 -1.209) 15.488 9.726 ( -5.022 -9.130 5.172) 11.633 10.742 ( 9.602 -7.404 4.318) 12.871 11.380 ( -6.470 -14.231 4.667) 16.315 12.075 ( 0.469 5.952 -12.399) 13.762 12.278 ( 0.960 -9.451 1.811) 9.670 12.879 ( -11.721 5.207 -5.142) 13.817 12.986 ( 4.382 1.288 -0.782) 4.634 13.730 ( 3.724 2.716 -6.660) 8.100 15.163 ( -1.306 0.610 20.110) 20.162 17.090 ( 7.237 25.665 4.626) 27.064 18.428 ( -1.175 9.832 1.390) 9.999 20.842 ( -0.362 -16.548 -8.121) 18.437 22.383 ( -3.809 -4.524 3.940) 7.107 ======================= Grid point 275 (135/156) ======================= q-point: ( 0.33 -0.24 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -15.320 9.339 0.237) 17.944 2.801 ( 3.096 10.884 10.942) 15.741 2.914 ( 5.736 2.145 5.080) 7.957 5.707 ( 1.151 6.938 -7.779) 10.486 5.890 ( -7.118 1.083 -3.932) 8.204 5.949 ( 1.071 0.462 2.184) 2.476 6.226 ( 1.212 2.292 6.608) 7.098 6.431 ( 1.662 2.441 4.003) 4.975 7.075 ( -0.394 -0.202 -8.779) 8.790 7.286 ( -3.283 -9.038 3.186) 10.130 7.598 ( -5.194 4.822 -2.537) 7.528 7.799 ( 1.206 1.178 3.184) 3.603 8.128 ( 2.262 -4.748 1.269) 5.410 8.610 ( 1.447 2.035 3.020) 3.919 8.855 ( -5.568 -7.289 -2.060) 9.400 9.082 ( 2.920 -6.520 4.295) 8.335 9.457 ( 8.510 -13.336 -2.764) 16.059 9.615 ( 1.149 0.036 5.462) 5.582 10.847 ( 4.954 -14.528 1.932) 15.471 10.992 ( 9.241 -7.819 7.770) 14.384 12.063 ( 4.402 -9.116 0.795) 10.154 12.211 ( -1.225 2.496 -12.988) 13.283 12.790 ( -9.076 8.240 -0.183) 12.260 13.112 ( 3.007 1.095 -1.793) 3.668 13.781 ( -0.820 0.374 -2.333) 2.501 15.173 ( -3.238 4.331 14.919) 15.869 17.629 ( -11.385 22.593 1.886) 25.369 18.532 ( -6.321 9.075 0.897) 11.096 20.553 ( 13.262 -20.948 -6.782) 25.704 22.290 ( 2.060 -2.278 4.824) 5.719 ======================= Grid point 276 (136/156) ======================= q-point: ( 0.33 -0.24 -0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -18.146 13.458 2.613) 22.743 2.796 ( -10.004 -1.951 10.955) 14.964 2.993 ( 1.047 -4.256 3.342) 5.511 5.710 ( -6.562 -1.017 -7.871) 10.298 5.873 ( 0.887 4.072 -2.899) 5.076 6.032 ( 1.800 2.303 2.595) 3.909 6.213 ( -4.109 -1.569 6.709) 8.022 6.458 ( -0.230 -2.335 1.950) 3.051 7.054 ( 3.642 -1.032 -7.500) 8.401 7.173 ( -2.087 4.130 -1.128) 4.763 7.591 ( -4.827 4.497 -0.649) 6.630 7.910 ( 1.851 3.769 8.273) 9.278 8.026 ( 1.424 -4.920 0.642) 5.162 8.693 ( 4.477 -2.878 2.753) 5.992 8.858 ( 5.651 6.545 -5.474) 10.234 9.125 ( 9.297 -1.049 6.125) 11.183 9.343 ( 5.140 -9.547 -5.592) 12.200 9.681 ( 4.029 -1.067 9.204) 10.104 10.584 ( 3.248 -7.717 2.734) 8.808 11.201 ( 16.854 -7.269 5.403) 19.133 12.051 ( 7.876 -4.000 0.550) 8.851 12.210 ( -2.474 1.143 -12.830) 13.116 12.857 ( -2.856 9.176 0.423) 9.620 13.114 ( -0.687 -3.983 -3.917) 5.629 13.746 ( -3.262 1.203 -1.336) 3.725 15.185 ( -3.350 3.160 15.997) 16.647 17.513 ( -28.933 11.437 1.521) 31.149 18.570 ( -7.714 6.290 0.980) 10.001 20.564 ( 21.031 -12.805 -6.248) 25.403 22.336 ( 5.639 -2.442 4.047) 7.358 ======================= Grid point 281 (137/156) ======================= q-point: (-0.39 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 0.525 18.613 -4.724) 19.211 2.903 ( -0.438 0.623 -1.704) 1.866 4.492 ( -0.309 5.708 18.430) 19.296 5.303 ( 1.081 3.744 -7.910) 8.818 5.389 ( -0.991 -3.317 -8.975) 9.620 6.483 ( -1.150 6.432 -2.397) 6.959 6.571 ( 2.082 3.124 6.501) 7.507 6.624 ( -1.141 -1.518 6.653) 6.919 6.869 ( 0.478 -2.349 15.091) 15.280 7.205 ( 0.347 -5.707 -3.527) 6.718 7.513 ( -0.282 -2.691 -3.780) 4.648 7.912 ( 1.305 5.776 -0.036) 5.921 8.081 ( -1.507 -7.422 1.056) 7.646 8.754 ( 1.229 3.330 1.169) 3.737 8.854 ( -2.412 -3.792 -0.286) 4.503 9.060 ( 1.621 -4.779 6.805) 8.471 9.260 ( -0.529 -12.741 11.541) 17.199 10.387 ( -0.133 -2.471 -31.507) 31.604 10.626 ( -1.227 13.808 6.543) 15.329 10.839 ( 2.006 0.236 4.336) 4.783 11.448 ( -0.372 -12.913 15.800) 20.409 12.008 ( -0.067 -7.119 3.237) 7.821 12.954 ( -2.599 7.279 -1.786) 7.933 13.023 ( 2.741 0.956 -0.869) 3.031 13.951 ( -0.139 2.973 2.675) 4.002 16.898 ( -0.595 11.541 26.620) 29.020 18.263 ( 2.096 17.067 -3.807) 17.612 18.669 ( -1.270 1.341 -3.839) 4.260 19.206 ( -0.266 -22.350 -13.138) 25.927 22.593 ( -0.026 -3.059 5.287) 6.108 ======================= Grid point 304 (138/156) ======================= q-point: ( 0.45 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 2.412 17.106 -6.232) 18.364 2.726 ( -0.124 8.499 4.360) 9.553 3.369 ( -1.094 5.801 25.592) 26.264 5.522 ( 0.589 5.577 -7.861) 9.656 5.824 ( -0.776 -2.632 -8.143) 8.593 6.119 ( -4.320 3.218 8.748) 10.274 6.338 ( 0.217 2.817 4.050) 4.937 6.498 ( 2.533 -1.174 6.275) 6.868 6.855 ( 0.632 -0.674 -10.100) 10.142 7.276 ( 5.037 -2.989 0.376) 5.870 7.629 ( -1.097 4.189 -0.856) 4.414 7.966 ( -1.921 -4.241 2.436) 5.255 8.077 ( -1.866 -4.631 2.109) 5.420 8.666 ( -0.955 -1.845 3.113) 3.742 8.944 ( 1.266 -7.676 1.140) 7.863 9.077 ( -1.089 -7.926 -2.892) 8.507 9.255 ( 2.754 -13.578 4.353) 14.522 9.864 ( -4.229 8.055 9.444) 13.113 10.691 ( 9.149 -6.256 5.472) 12.361 11.219 ( -5.291 -15.105 10.176) 18.966 11.782 ( 0.327 1.355 -24.850) 24.889 12.075 ( 0.142 -10.830 1.855) 10.988 12.908 ( -5.507 7.378 -4.657) 10.317 13.010 ( 4.471 1.427 0.080) 4.694 13.761 ( 0.346 4.321 0.599) 4.376 15.651 ( -1.408 3.014 24.441) 24.667 17.752 ( 4.779 26.606 3.572) 27.266 18.639 ( -1.549 7.385 0.328) 7.553 20.215 ( -0.999 -21.608 -11.657) 24.572 22.406 ( -0.935 -4.424 6.793) 8.160 ======================= Grid point 305 (139/156) ======================= q-point: ( 0.45 -0.27 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -11.823 10.449 1.935) 15.896 2.895 ( -0.515 0.619 -2.017) 2.172 3.437 ( -3.808 4.508 26.006) 26.667 5.676 ( -5.377 -0.483 -9.127) 10.604 5.702 ( 1.226 4.740 -7.203) 8.709 6.149 ( -0.000 2.244 9.528) 9.789 6.389 ( -1.288 2.927 3.388) 4.659 6.508 ( -0.040 -2.608 1.918) 3.238 6.816 ( 3.079 -4.301 -7.393) 9.090 7.264 ( -2.962 -0.142 1.456) 3.304 7.661 ( -3.909 4.732 -1.961) 6.444 7.876 ( 0.790 1.286 -0.202) 1.523 8.051 ( 4.850 -3.984 1.512) 6.456 8.702 ( 1.943 -4.486 5.574) 7.414 8.744 ( 0.338 2.585 -0.007) 2.607 9.014 ( 7.293 -7.647 3.984) 11.294 9.102 ( 10.240 -11.399 -0.623) 15.335 9.989 ( -8.091 11.758 12.140) 18.737 10.652 ( -1.171 -8.737 4.779) 10.027 11.017 ( 14.637 -8.454 10.994) 20.164 11.805 ( 0.086 -0.280 -27.372) 27.374 11.939 ( 5.702 -5.742 2.718) 8.537 12.943 ( -3.886 6.125 -0.235) 7.257 13.065 ( -0.598 -1.125 -2.014) 2.383 13.808 ( -2.099 1.956 1.535) 3.254 15.683 ( -3.016 3.755 25.222) 25.678 18.100 ( -22.170 18.324 -0.314) 28.764 18.709 ( -3.911 5.733 0.057) 6.940 19.943 ( 19.058 -18.272 -10.008) 28.235 22.355 ( 3.295 -2.757 6.777) 8.024 ======================= Grid point 312 (140/156) ======================= q-point: (-0.27 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 0.000 0.000 -7.039) 7.039 2.810 ( 0.000 0.000 -7.039) 7.039 4.804 ( -0.000 -0.000 4.112) 4.112 5.201 ( 0.000 0.000 -4.685) 4.685 5.201 ( 0.000 0.000 -4.685) 4.685 6.459 ( 0.000 0.000 -4.937) 4.937 6.805 ( -0.000 -0.000 10.023) 10.023 6.805 ( -0.000 -0.000 10.023) 10.023 7.055 ( 0.000 0.000 -2.624) 2.624 7.067 ( -0.000 -0.000 2.929) 2.929 7.534 ( -0.000 -0.000 11.485) 11.485 7.974 ( 0.000 0.000 -1.775) 1.775 7.974 ( 0.000 0.000 -1.775) 1.775 8.860 ( -0.000 -0.000 3.168) 3.168 8.860 ( -0.000 -0.000 3.168) 3.168 9.097 ( -0.000 -0.000 7.621) 7.621 9.401 ( -0.000 -0.000 13.493) 13.493 9.670 ( 0.000 0.000 -28.434) 28.434 10.925 ( -0.000 -0.000 1.981) 1.981 10.925 ( -0.000 -0.000 1.981) 1.981 11.674 ( -0.000 -0.000 19.819) 19.819 11.982 ( -0.000 -0.000 2.456) 2.456 13.008 ( 0.000 0.000 -1.587) 1.587 13.008 ( 0.000 0.000 -1.587) 1.587 14.013 ( 0.000 0.000 -0.160) 0.160 17.664 ( -0.000 -0.000 30.057) 30.057 18.338 ( 0.000 0.000 -20.735) 20.735 18.566 ( 0.000 0.000 -6.495) 6.495 18.566 ( 0.000 0.000 -6.495) 6.495 22.641 ( -0.000 -0.000 2.450) 2.450 ======================= Grid point 328 (141/156) ======================= q-point: ( 0.29 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 19.290 19.045 -0.000) 27.107 2.348 ( -0.704 16.969 0.000) 16.984 2.643 ( -12.633 8.804 0.000) 15.398 5.670 ( -2.681 11.350 0.000) 11.663 5.787 ( 0.808 -0.489 -0.000) 0.945 6.066 ( -0.539 -3.294 -0.000) 3.338 6.151 ( 0.159 -3.186 -0.000) 3.190 6.336 ( -3.349 1.412 0.000) 3.635 7.143 ( -0.018 4.968 0.000) 4.968 7.459 ( 7.290 -11.914 -0.000) 13.967 7.469 ( 1.016 6.139 0.000) 6.223 7.900 ( -3.418 -2.270 0.000) 4.103 8.098 ( 4.805 -1.131 -0.000) 4.936 8.656 ( -6.130 -5.552 0.000) 8.271 9.127 ( 1.129 -3.407 -0.000) 3.589 9.296 ( -4.419 -13.636 -0.000) 14.334 9.550 ( 2.748 -5.244 -0.000) 5.920 9.667 ( 3.302 -15.237 -0.000) 15.591 10.694 ( 8.510 -7.337 -0.000) 11.236 11.329 ( -6.444 -14.882 -0.000) 16.217 12.228 ( 1.036 -10.468 -0.000) 10.519 12.238 ( 0.147 7.991 0.000) 7.992 12.916 ( -9.164 2.505 0.000) 9.500 13.009 ( 0.380 2.613 0.000) 2.640 13.833 ( 4.662 -2.545 -0.000) 5.311 14.921 ( -0.056 5.423 0.000) 5.423 17.043 ( 6.689 27.093 0.000) 27.907 18.414 ( -1.041 10.375 0.000) 10.427 20.927 ( 0.279 -17.205 -0.000) 17.207 22.341 ( -4.701 -5.256 -0.000) 7.052 ======================= Grid point 329 (142/156) ======================= q-point: ( 0.29 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -16.837 8.359 0.000) 18.798 2.622 ( -1.128 8.915 0.000) 8.986 2.911 ( 12.604 3.811 -0.000) 13.168 5.809 ( -0.170 1.106 0.000) 1.119 5.910 ( -3.294 15.049 0.000) 15.406 5.958 ( -1.923 -1.982 -0.000) 2.761 6.125 ( 3.085 -3.416 -0.000) 4.603 6.395 ( -0.014 4.640 0.000) 4.640 7.203 ( -3.232 4.313 0.000) 5.389 7.219 ( -1.786 -13.132 -0.000) 13.253 7.650 ( -1.355 7.751 0.000) 7.868 7.742 ( -2.695 -1.569 0.000) 3.119 8.106 ( 2.671 -6.034 -0.000) 6.598 8.579 ( 1.241 2.130 0.000) 2.465 8.889 ( -4.882 -7.114 -0.000) 8.628 9.026 ( 2.045 -6.127 -0.000) 6.459 9.497 ( -3.833 1.535 0.000) 4.128 9.550 ( 14.042 -16.756 -0.000) 21.862 10.825 ( 4.261 -15.187 -0.000) 15.773 10.908 ( 10.702 -7.219 -0.000) 12.909 12.051 ( 4.287 -9.805 -0.000) 10.701 12.352 ( -1.752 4.297 0.000) 4.640 12.790 ( -9.872 7.858 0.000) 12.617 13.131 ( 3.560 1.180 -0.000) 3.751 13.812 ( -0.320 -2.167 -0.000) 2.191 15.010 ( -2.451 4.884 0.000) 5.465 17.609 ( -11.384 23.754 0.000) 26.341 18.523 ( -6.927 9.607 0.000) 11.844 20.625 ( 13.388 -21.912 -0.000) 25.678 22.238 ( 1.963 -1.884 -0.000) 2.721 ======================= Grid point 330 (143/156) ======================= q-point: ( 0.29 -0.29 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -18.887 13.879 0.000) 23.438 2.633 ( -8.230 1.078 0.000) 8.301 2.996 ( 0.739 -8.734 -0.000) 8.765 5.788 ( -1.910 0.340 0.000) 1.940 5.964 ( -13.076 3.364 0.000) 13.501 5.972 ( 2.355 1.871 -0.000) 3.008 6.124 ( 3.403 -3.169 -0.000) 4.650 6.434 ( -0.520 -0.706 -0.000) 0.877 7.125 ( 7.513 0.988 -0.000) 7.577 7.204 ( -4.344 3.331 0.000) 5.474 7.624 ( -8.645 1.204 0.000) 8.729 7.784 ( 2.597 6.225 0.000) 6.745 8.018 ( 1.094 -4.304 -0.000) 4.441 8.666 ( 4.541 -1.999 -0.000) 4.961 8.950 ( 9.358 6.361 -0.000) 11.315 9.026 ( 5.973 -2.326 -0.000) 6.410 9.474 ( -4.824 5.126 0.000) 7.039 9.516 ( 15.553 -15.484 -0.000) 21.947 10.554 ( 3.471 -7.911 -0.000) 8.639 11.142 ( 17.522 -7.616 -0.000) 19.105 12.040 ( 8.840 -3.992 -0.000) 9.700 12.350 ( -4.434 1.767 0.000) 4.773 12.852 ( -2.900 9.590 0.000) 10.019 13.155 ( 1.020 -4.352 -0.000) 4.470 13.766 ( -1.632 0.855 0.000) 1.843 15.011 ( -4.831 2.445 0.000) 5.414 17.497 ( -29.802 11.499 0.000) 31.943 18.560 ( -8.285 6.809 0.000) 10.724 20.629 ( 21.459 -12.844 -0.000) 25.009 22.292 ( 5.979 -2.447 -0.000) 6.460 ======================= Grid point 335 (144/156) ======================= q-point: ( 0.56 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( -0.215 14.296 -2.517) 14.517 2.905 ( 0.419 2.570 1.248) 2.887 4.031 ( -0.242 5.115 25.344) 25.857 5.482 ( 1.023 5.886 -9.037) 10.833 5.588 ( -1.031 -2.483 -9.639) 10.007 6.402 ( -3.839 3.719 9.853) 11.209 6.443 ( 1.903 2.464 3.313) 4.547 6.576 ( 3.161 -3.755 8.529) 9.841 6.660 ( -1.007 -2.228 -4.053) 4.733 7.261 ( 0.447 -2.083 -1.721) 2.739 7.617 ( -0.423 0.656 -5.432) 5.487 7.918 ( 4.169 2.193 -0.490) 4.736 8.030 ( -4.938 -5.553 3.523) 8.224 8.733 ( 2.388 2.454 1.787) 3.863 8.858 ( -6.603 -5.057 0.242) 8.321 8.917 ( 5.678 -4.857 6.211) 9.716 9.070 ( -0.857 -13.837 6.424) 15.280 10.387 ( -2.031 17.224 11.864) 21.013 10.730 ( 3.463 -1.022 5.909) 6.925 11.126 ( 2.032 -8.808 -12.386) 15.334 11.143 ( -3.281 -9.401 -8.363) 13.003 11.939 ( -0.013 -6.975 3.313) 7.722 12.988 ( -2.491 5.444 -1.587) 6.194 13.035 ( 2.517 1.002 -0.365) 2.734 13.886 ( -0.069 2.727 3.251) 4.244 16.307 ( -0.381 5.283 29.547) 30.018 18.322 ( 1.815 24.406 -2.054) 24.559 18.733 ( -1.101 3.162 -2.423) 4.133 19.475 ( -0.316 -23.859 -12.311) 26.850 22.465 ( -0.071 -3.209 6.912) 7.621 ======================= Grid point 358 (145/156) ======================= q-point: ( 0.40 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 14.111 13.802 0.729) 19.752 2.678 ( -9.417 9.992 0.257) 13.732 2.906 ( -2.836 4.753 16.765) 17.655 5.696 ( -0.140 6.370 -8.675) 10.763 5.926 ( 1.331 0.019 1.461) 1.976 6.018 ( -4.008 -1.184 -2.767) 5.012 6.201 ( 0.690 5.215 9.437) 10.804 6.422 ( -0.677 3.280 1.248) 3.574 7.062 ( 1.226 -4.165 -9.157) 10.134 7.272 ( 3.937 -3.139 0.610) 5.072 7.642 ( 0.448 8.048 -0.442) 8.072 7.883 ( -6.564 -2.867 3.758) 8.089 8.042 ( 5.405 -5.214 2.247) 7.839 8.602 ( -2.626 -3.106 2.210) 4.628 8.954 ( 0.210 -8.535 -1.793) 8.724 9.097 ( -5.519 -8.422 2.664) 10.416 9.241 ( 6.886 -14.838 -4.222) 16.894 9.679 ( -2.357 5.628 8.242) 10.255 10.589 ( 9.089 -6.185 4.011) 11.702 11.048 ( -6.564 -16.454 5.955) 18.689 12.012 ( 0.318 -9.343 0.614) 9.369 12.223 ( 0.072 2.631 -13.480) 13.734 12.975 ( -6.340 3.635 -1.008) 7.377 13.023 ( 4.104 1.700 -1.852) 4.813 13.774 ( 1.119 1.489 -1.462) 2.368 15.215 ( -0.433 3.496 16.239) 16.616 17.697 ( 4.236 30.488 1.764) 30.831 18.632 ( -1.343 8.883 0.278) 8.988 20.406 ( -0.610 -23.856 -6.456) 24.721 22.286 ( -1.531 -4.422 4.395) 6.419 ======================= Grid point 359 (146/156) ======================= q-point: ( 0.40 -0.31 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -13.143 9.740 1.496) 16.427 2.920 ( 1.588 -1.727 0.715) 2.453 2.963 ( -1.778 4.389 16.824) 17.478 5.818 ( -1.322 2.656 -3.331) 4.461 5.864 ( -2.276 -0.346 -8.289) 8.603 5.998 ( 1.172 1.301 3.046) 3.514 6.309 ( -4.003 4.933 5.645) 8.499 6.486 ( -1.749 1.811 0.427) 2.553 6.944 ( 4.955 -7.482 -4.445) 10.014 7.260 ( -3.889 2.615 -1.195) 4.836 7.705 ( -5.913 5.362 -2.765) 8.448 7.864 ( 2.518 3.823 1.921) 4.964 8.001 ( 1.077 -6.316 2.941) 7.050 8.593 ( 4.491 -3.668 3.515) 6.780 8.779 ( 0.957 0.646 -2.178) 2.466 8.936 ( 6.616 -5.514 3.491) 9.293 9.146 ( 11.432 -14.000 -3.216) 18.358 9.762 ( -8.261 10.324 9.216) 16.117 10.566 ( -0.944 -10.371 3.181) 10.889 10.831 ( 16.238 -7.301 6.575) 18.979 11.895 ( 5.665 -5.814 1.489) 8.253 12.254 ( -1.325 1.274 -15.344) 15.454 12.942 ( -4.605 5.881 0.154) 7.471 13.103 ( 1.691 -1.836 -1.405) 2.865 13.790 ( -0.999 0.453 0.536) 1.221 15.255 ( -2.703 2.923 14.945) 15.466 18.101 ( -23.498 19.936 0.070) 30.816 18.710 ( -5.356 7.059 -0.092) 8.861 20.103 ( 20.144 -19.554 -5.334) 28.576 22.236 ( 3.350 -2.496 4.323) 6.012 ======================= Grid point 366 (147/156) ======================= q-point: (-0.32 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 0.000 0.000 -2.723) 2.723 2.908 ( 0.000 0.000 -2.722) 2.722 4.558 ( -0.000 -0.000 18.453) 18.453 5.351 ( 0.000 0.000 -9.328) 9.328 5.351 ( 0.000 0.000 -9.328) 9.328 6.561 ( 0.000 0.000 -4.448) 4.448 6.608 ( -0.000 -0.000 8.335) 8.335 6.608 ( -0.000 -0.000 8.335) 8.335 6.834 ( -0.000 -0.000 17.164) 17.164 7.136 ( 0.000 0.000 -4.735) 4.735 7.481 ( 0.000 0.000 -4.375) 4.375 7.995 ( -0.000 -0.000 0.079) 0.079 7.995 ( -0.000 -0.000 0.079) 0.079 8.813 ( -0.000 -0.000 1.331) 1.331 8.813 ( -0.000 -0.000 1.331) 1.331 8.969 ( -0.000 -0.000 5.067) 5.067 9.113 ( -0.000 -0.000 13.847) 13.847 10.349 ( 0.000 0.000 -36.060) 36.060 10.851 ( -0.000 -0.000 5.000) 5.000 10.851 ( -0.000 -0.000 5.000) 5.000 11.247 ( -0.000 -0.000 21.254) 21.254 11.924 ( -0.000 -0.000 3.057) 3.057 13.033 ( 0.000 0.000 -0.887) 0.887 13.033 ( 0.000 0.000 -0.887) 0.887 13.983 ( -0.000 -0.000 2.753) 2.753 17.026 ( -0.000 -0.000 31.689) 31.689 18.684 ( 0.000 0.000 -4.868) 4.868 18.684 ( 0.000 0.000 -4.868) 4.868 18.728 ( 0.000 0.000 -16.925) 16.925 22.558 ( -0.000 -0.000 5.389) 5.389 ======================= Grid point 391 (148/156) ======================= q-point: ( 0.52 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 540 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 0.823 9.441 -0.835) 9.514 2.864 ( -0.490 4.343 2.424) 4.998 3.484 ( -0.199 4.250 26.408) 26.748 5.663 ( 0.384 6.591 -8.351) 10.645 5.770 ( -0.395 -2.095 -7.784) 8.070 6.159 ( -0.581 0.722 11.210) 11.248 6.424 ( -1.777 4.418 0.221) 4.767 6.482 ( 1.931 -0.085 1.231) 2.292 6.767 ( 0.503 -6.412 -5.390) 8.391 7.282 ( 0.790 1.808 -0.698) 2.093 7.721 ( -0.324 4.817 -4.536) 6.624 7.903 ( 0.053 -1.238 2.841) 3.099 7.978 ( -0.851 -4.667 0.606) 4.782 8.638 ( 0.095 -0.903 6.401) 6.466 8.820 ( -1.346 -3.694 1.258) 4.128 8.892 ( 2.255 -7.654 -1.491) 8.117 8.973 ( -0.670 -11.510 3.708) 12.111 10.129 ( -1.851 14.985 12.495) 19.598 10.603 ( 5.077 -2.128 6.085) 8.206 10.874 ( -3.173 -16.613 10.910) 20.127 11.799 ( 0.053 0.378 -27.127) 27.129 11.879 ( 0.006 -7.051 1.440) 7.196 13.019 ( -2.913 3.201 -1.340) 4.531 13.039 ( 2.781 1.143 -0.125) 3.009 13.830 ( 0.034 2.100 2.046) 2.933 15.721 ( -0.194 2.830 25.978) 26.133 18.353 ( 1.530 28.671 -0.973) 28.728 18.772 ( -0.910 4.658 -1.387) 4.944 19.699 ( -0.289 -25.844 -9.181) 27.428 22.320 ( -0.145 -3.210 6.734) 7.462 ======================= Grid point 413 (149/156) ======================= q-point: ( 0.36 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 13.203 13.521 0.000) 18.898 2.637 ( -0.378 10.183 0.000) 10.190 2.767 ( -10.762 3.839 0.000) 11.426 5.800 ( 0.668 1.634 0.000) 1.766 5.968 ( -2.039 15.618 0.000) 15.751 6.000 ( -0.574 -2.754 -0.000) 2.813 6.078 ( 0.160 -3.557 -0.000) 3.560 6.413 ( -1.151 4.999 0.000) 5.130 7.189 ( 3.778 -12.830 -0.000) 13.375 7.241 ( -0.089 4.126 0.000) 4.127 7.648 ( 0.995 10.456 0.000) 10.504 7.840 ( -4.273 -2.211 0.000) 4.811 8.010 ( 5.317 -6.343 -0.000) 8.277 8.581 ( -2.933 -2.923 0.000) 4.141 9.001 ( 0.086 -8.384 -0.000) 8.384 9.032 ( -4.057 -10.705 -0.000) 11.448 9.322 ( 3.097 -16.717 -0.000) 17.001 9.568 ( 0.141 7.198 0.000) 7.199 10.544 ( 8.500 -6.015 -0.000) 10.413 10.985 ( -6.767 -16.837 -0.000) 18.146 12.001 ( 0.288 -10.158 -0.000) 10.162 12.369 ( 0.065 4.462 0.000) 4.462 12.979 ( -3.710 3.024 0.000) 4.786 13.049 ( 0.924 1.005 0.000) 1.366 13.795 ( 1.474 -1.127 -0.000) 1.855 15.038 ( -0.026 5.217 0.000) 5.217 17.678 ( 4.067 31.717 0.000) 31.977 18.629 ( -1.267 9.403 0.000) 9.488 20.473 ( -0.411 -24.711 -0.000) 24.714 22.238 ( -1.825 -4.411 -0.000) 4.773 ======================= Grid point 414 (150/156) ======================= q-point: ( 0.36 -0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -13.723 9.393 0.000) 16.630 2.755 ( -3.509 3.748 0.000) 5.135 2.932 ( 4.928 -1.869 -0.000) 5.270 5.835 ( -1.918 1.106 0.000) 2.214 5.937 ( 0.516 0.227 -0.000) 0.564 6.051 ( 3.266 -3.364 -0.000) 4.688 6.198 ( -8.053 10.780 0.000) 13.455 6.482 ( -3.309 2.583 0.000) 4.197 6.990 ( 5.174 -7.541 -0.000) 9.146 7.282 ( -2.757 2.830 0.000) 3.951 7.765 ( -0.829 3.557 0.000) 3.653 7.811 ( -7.630 6.624 0.000) 10.104 7.962 ( 3.390 -6.652 -0.000) 7.466 8.559 ( 4.793 -3.355 -0.000) 5.850 8.812 ( 2.584 0.183 -0.000) 2.590 8.888 ( 5.542 -5.475 -0.000) 7.790 9.194 ( 13.907 -15.708 -0.000) 20.980 9.652 ( -9.799 10.553 0.000) 14.401 10.532 ( -0.860 -10.799 -0.000) 10.834 10.761 ( 16.687 -6.714 -0.000) 17.987 11.879 ( 5.681 -5.831 -0.000) 8.141 12.416 ( -1.889 1.852 0.000) 2.645 12.940 ( -4.812 5.972 0.000) 7.669 13.118 ( 2.471 -2.221 -0.000) 3.323 13.783 ( -0.126 -0.605 -0.000) 0.618 15.098 ( -2.992 3.007 0.000) 4.242 18.100 ( -23.956 20.489 0.000) 31.523 18.711 ( -5.802 7.444 0.000) 9.438 20.158 ( 20.523 -20.025 -0.000) 28.674 22.189 ( 3.373 -2.371 -0.000) 4.123 ======================= Grid point 421 (151/156) ======================= q-point: ( 0.64 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( -0.000 -0.000 0.205) 0.205 2.932 ( -0.000 -0.000 0.205) 0.205 4.089 ( -0.000 -0.000 25.876) 25.876 5.559 ( 0.000 0.000 -10.107) 10.107 5.559 ( 0.000 0.000 -10.107) 10.107 6.469 ( -0.000 -0.000 16.871) 16.871 6.487 ( -0.000 -0.000 2.937) 2.937 6.487 ( -0.000 -0.000 2.937) 2.937 6.633 ( 0.000 0.000 -2.526) 2.526 7.232 ( 0.000 0.000 -4.272) 4.272 7.623 ( 0.000 0.000 -8.439) 8.439 7.965 ( -0.000 -0.000 2.716) 2.716 7.965 ( -0.000 -0.000 2.716) 2.716 8.801 ( -0.000 -0.000 0.012) 0.012 8.801 ( -0.000 -0.000 0.012) 0.012 8.842 ( -0.000 -0.000 12.035) 12.035 8.880 ( -0.000 -0.000 3.627) 3.627 10.727 ( -0.000 -0.000 6.796) 6.796 10.727 ( -0.000 -0.000 6.796) 6.796 10.809 ( -0.000 -0.000 20.823) 20.823 11.112 ( 0.000 0.000 -36.481) 36.481 11.859 ( -0.000 -0.000 3.152) 3.152 13.046 ( 0.000 0.000 -0.425) 0.425 13.046 ( 0.000 0.000 -0.425) 0.425 13.915 ( -0.000 -0.000 3.441) 3.441 16.366 ( -0.000 -0.000 31.635) 31.635 18.768 ( 0.000 0.000 -3.348) 3.348 18.768 ( 0.000 0.000 -3.348) 3.348 19.036 ( 0.000 0.000 -12.873) 12.873 22.428 ( -0.000 -0.000 6.958) 6.958 ======================= Grid point 451 (152/156) ======================= q-point: ( 0.47 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 7.715 6.884 1.346) 10.427 2.827 ( -7.149 4.461 0.611) 8.449 3.003 ( -0.338 3.664 18.266) 18.633 5.819 ( -0.288 4.784 -5.740) 7.478 5.898 ( 0.871 -1.579 -3.889) 4.287 5.996 ( -0.852 -1.292 3.087) 3.453 6.372 ( -0.703 9.559 4.382) 10.539 6.500 ( 0.248 3.429 -1.542) 3.768 6.870 ( 0.906 -10.903 -4.186) 11.714 7.300 ( 0.369 2.791 -1.040) 3.001 7.804 ( 2.695 5.427 -3.236) 6.869 7.847 ( -5.843 -0.545 1.433) 6.041 7.956 ( 2.895 -1.240 2.320) 3.912 8.533 ( -0.101 -3.107 3.186) 4.452 8.811 ( -0.813 -4.500 -0.260) 4.580 8.899 ( -3.166 -8.404 3.110) 9.504 8.941 ( 3.787 -12.077 -2.469) 12.896 9.898 ( -1.100 12.661 9.037) 15.594 10.494 ( 5.453 -2.603 3.998) 7.246 10.697 ( -4.242 -15.651 5.983) 17.284 11.831 ( 0.035 -6.648 1.478) 6.811 12.267 ( 0.014 1.338 -15.872) 15.929 13.034 ( -1.813 1.905 -0.069) 2.631 13.049 ( 1.524 0.659 -0.732) 1.815 13.797 ( 0.138 0.684 1.311) 1.485 15.287 ( -0.057 2.721 14.933) 15.179 18.366 ( 1.374 31.033 -0.367) 31.066 18.792 ( -0.792 5.627 -0.629) 5.717 19.846 ( -0.244 -27.491 -4.900) 27.925 22.202 ( -0.227 -3.097 4.277) 5.286 ======================= Grid point 481 (153/156) ======================= q-point: ( 0.59 -0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( -0.000 -0.000 1.628) 1.628 2.910 ( -0.000 -0.000 1.628) 1.628 3.532 ( -0.000 -0.000 26.830) 26.830 5.746 ( 0.000 0.000 -7.792) 7.792 5.746 ( 0.000 0.000 -7.792) 7.792 6.165 ( -0.000 -0.000 12.186) 12.186 6.487 ( 0.000 0.000 -2.278) 2.278 6.487 ( 0.000 0.000 -2.278) 2.278 6.669 ( 0.000 0.000 -1.123) 1.123 7.303 ( 0.000 0.000 -2.463) 2.463 7.809 ( 0.000 0.000 -9.144) 9.144 7.897 ( -0.000 -0.000 3.371) 3.371 7.897 ( -0.000 -0.000 3.371) 3.371 8.627 ( -0.000 -0.000 8.581) 8.581 8.802 ( -0.000 -0.000 0.135) 0.135 8.802 ( -0.000 -0.000 0.135) 0.135 8.816 ( -0.000 -0.000 2.648) 2.648 10.404 ( -0.000 -0.000 17.866) 17.866 10.584 ( -0.000 -0.000 6.636) 6.636 10.584 ( -0.000 -0.000 6.636) 6.636 11.798 ( -0.000 -0.000 2.608) 2.608 11.803 ( 0.000 0.000 -29.241) 29.241 13.052 ( 0.000 0.000 -0.182) 0.182 13.052 ( 0.000 0.000 -0.182) 0.182 13.852 ( -0.000 -0.000 2.563) 2.563 15.754 ( -0.000 -0.000 26.558) 26.558 18.824 ( 0.000 0.000 -2.070) 2.070 18.824 ( 0.000 0.000 -2.070) 2.070 19.259 ( 0.000 0.000 -8.722) 8.722 22.283 ( -0.000 -0.000 6.694) 6.694 ======================= Grid point 511 (154/156) ======================= q-point: ( 0.43 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 6.508 7.015 0.000) 9.569 2.792 ( -0.067 4.553 0.000) 4.554 2.832 ( -6.188 2.349 0.000) 6.619 5.850 ( 0.284 2.932 0.000) 2.946 5.952 ( -0.399 -1.613 -0.000) 1.662 6.001 ( 0.162 -3.629 -0.000) 3.633 6.305 ( -1.300 15.253 0.000) 15.308 6.517 ( 0.757 4.010 0.000) 4.081 6.917 ( 0.713 -12.588 -0.000) 12.608 7.314 ( -0.026 2.469 0.000) 2.469 7.820 ( -3.222 0.235 0.000) 3.230 7.882 ( 3.309 -4.750 -0.000) 5.789 7.896 ( 0.377 11.663 0.000) 11.669 8.503 ( -0.362 -4.014 -0.000) 4.031 8.826 ( -0.035 -6.586 -0.000) 6.586 8.850 ( -2.462 -6.038 -0.000) 6.521 8.975 ( 2.102 -14.705 -0.000) 14.854 9.796 ( -0.643 12.260 0.000) 12.277 10.451 ( 5.279 -2.651 -0.000) 5.907 10.634 ( -4.408 -15.142 -0.000) 15.771 11.815 ( 0.037 -6.674 -0.000) 6.674 12.436 ( 0.010 1.885 0.000) 1.885 13.034 ( -0.938 1.933 0.000) 2.149 13.057 ( 0.577 -0.028 -0.000) 0.578 13.780 ( 0.185 -0.373 -0.000) 0.417 15.131 ( -0.004 3.191 0.000) 3.191 18.369 ( 1.326 31.804 0.000) 31.832 18.798 ( -0.750 5.962 0.000) 6.009 19.898 ( -0.223 -28.131 -0.000) 28.132 22.156 ( -0.265 -3.028 -0.000) 3.040 ======================= Grid point 540 (155/156) ======================= q-point: ( 0.55 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -0.000 -0.000 1.446) 1.446 2.876 ( -0.000 -0.000 1.446) 1.446 3.044 ( -0.000 -0.000 18.534) 18.534 5.879 ( 0.000 0.000 -4.948) 4.948 5.879 ( 0.000 0.000 -4.948) 4.948 5.974 ( -0.000 -0.000 6.201) 6.201 6.541 ( 0.000 0.000 -2.152) 2.152 6.541 ( 0.000 0.000 -2.152) 2.152 6.685 ( 0.000 0.000 -0.510) 0.510 7.335 ( 0.000 0.000 -0.743) 0.743 7.844 ( -0.000 -0.000 1.615) 1.615 7.844 ( -0.000 -0.000 1.615) 1.615 7.979 ( 0.000 0.000 -6.706) 6.706 8.493 ( -0.000 -0.000 4.296) 4.296 8.771 ( -0.000 -0.000 1.646) 1.646 8.793 ( -0.000 -0.000 0.650) 0.650 8.793 ( -0.000 -0.000 0.650) 0.650 10.097 ( -0.000 -0.000 11.061) 11.061 10.469 ( -0.000 -0.000 4.137) 4.137 10.469 ( -0.000 -0.000 4.137) 4.137 11.755 ( -0.000 -0.000 1.479) 1.479 12.281 ( 0.000 0.000 -16.385) 16.385 13.055 ( 0.000 0.000 -0.067) 0.067 13.055 ( 0.000 0.000 -0.067) 0.067 13.804 ( -0.000 -0.000 2.153) 2.153 15.318 ( -0.000 -0.000 14.669) 14.669 18.855 ( 0.000 0.000 -0.990) 0.990 18.855 ( 0.000 0.000 -0.990) 0.990 19.396 ( 0.000 0.000 -4.429) 4.429 22.167 ( -0.000 -0.000 4.213) 4.213 ======================= Grid point 599 (156/156) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 0.000 0.000 -0.000) 0.000 2.860 ( -0.000 0.000 -0.000) 0.000 2.860 ( 0.000 -0.000 -0.000) 0.000 5.910 ( 0.000 0.000 -0.000) 0.000 5.934 ( -0.000 0.000 -0.000) 0.000 5.934 ( 0.000 -0.000 -0.000) 0.000 6.563 ( 0.000 0.000 -0.000) 0.000 6.563 ( 0.000 -0.000 -0.000) 0.000 6.691 ( 0.000 0.000 -0.000) 0.000 7.341 ( 0.000 0.000 -0.000) 0.000 7.829 ( 0.000 -0.000 -0.000) 0.000 7.829 ( 0.000 -0.000 -0.000) 0.000 8.055 ( 0.000 -0.000 -0.000) 0.000 8.449 ( 0.000 0.000 -0.000) 0.000 8.753 ( 0.000 -0.000 -0.000) 0.000 8.784 ( -0.000 0.000 -0.000) 0.000 8.784 ( 0.000 0.000 -0.000) 0.000 9.977 ( -0.000 0.000 -0.000) 0.000 10.425 ( 0.000 0.000 -0.000) 0.000 10.425 ( 0.000 -0.000 -0.000) 0.000 11.739 ( 0.000 -0.000 -0.000) 0.000 12.455 ( 0.000 -0.000 -0.000) 0.000 13.055 ( 0.000 0.000 -0.000) 0.000 13.055 ( 0.000 -0.000 -0.000) 0.000 13.776 ( 0.000 0.000 -0.000) 0.000 15.166 ( 0.000 -0.000 -0.000) 0.000 18.865 ( 0.000 0.000 -0.000) 0.000 18.865 ( 0.000 -0.000 -0.000) 0.000 19.441 ( 0.000 0.000 -0.000) 0.000 22.121 ( 0.000 -0.000 -0.000) 0.000 =================== 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 3/32340 10.0 521.574 521.574 457.289 -0.000 -0.000 -0.000 3/32340 20.0 127.166 127.166 218.783 -0.000 -0.000 -0.000 3/32340 30.0 79.413 79.413 111.518 -0.000 -0.000 -0.000 3/32340 40.0 50.315 50.315 56.750 -0.000 -0.000 -0.000 3/32340 50.0 31.985 31.985 33.506 -0.000 -0.000 -0.000 3/32340 60.0 21.284 21.284 22.302 -0.000 -0.000 -0.000 3/32340 70.0 15.046 15.046 16.108 -0.000 -0.000 -0.000 3/32340 80.0 11.254 11.254 12.349 -0.000 -0.000 -0.000 3/32340 90.0 8.827 8.827 9.904 -0.000 -0.000 -0.000 3/32340 100.0 7.194 7.194 8.224 -0.000 -0.000 -0.000 3/32340 110.0 6.045 6.045 7.018 -0.000 -0.000 -0.000 3/32340 120.0 5.207 5.207 6.120 -0.000 -0.000 -0.000 3/32340 130.0 4.574 4.574 5.431 -0.000 -0.000 -0.000 3/32340 140.0 4.084 4.084 4.888 -0.000 -0.000 -0.000 3/32340 150.0 3.694 3.694 4.452 -0.000 -0.000 -0.000 3/32340 160.0 3.378 3.378 4.094 -0.000 -0.000 -0.000 3/32340 170.0 3.118 3.118 3.796 -0.000 -0.000 -0.000 3/32340 180.0 2.899 2.899 3.544 -0.000 -0.000 -0.000 3/32340 190.0 2.712 2.712 3.328 -0.000 -0.000 -0.000 3/32340 200.0 2.551 2.551 3.141 -0.000 -0.000 -0.000 3/32340 210.0 2.411 2.411 2.976 -0.000 -0.000 -0.000 3/32340 220.0 2.288 2.288 2.831 -0.000 -0.000 -0.000 3/32340 230.0 2.178 2.178 2.701 -0.000 -0.000 -0.000 3/32340 240.0 2.080 2.080 2.585 -0.000 -0.000 -0.000 3/32340 250.0 1.992 1.992 2.479 -0.000 -0.000 -0.000 3/32340 260.0 1.911 1.911 2.383 -0.000 -0.000 -0.000 3/32340 270.0 1.838 1.838 2.295 -0.000 -0.000 -0.000 3/32340 280.0 1.771 1.771 2.214 -0.000 -0.000 -0.000 3/32340 290.0 1.709 1.709 2.139 -0.000 -0.000 -0.000 3/32340 300.0 1.651 1.651 2.070 -0.000 -0.000 -0.000 3/32340 310.0 1.598 1.598 2.005 -0.000 -0.000 -0.000 3/32340 320.0 1.548 1.548 1.945 -0.000 -0.000 -0.000 3/32340 330.0 1.502 1.502 1.888 -0.000 -0.000 -0.000 3/32340 340.0 1.458 1.458 1.835 -0.000 -0.000 -0.000 3/32340 350.0 1.417 1.417 1.785 -0.000 -0.000 -0.000 3/32340 360.0 1.378 1.378 1.738 -0.000 -0.000 -0.000 3/32340 370.0 1.342 1.342 1.693 -0.000 -0.000 -0.000 3/32340 380.0 1.307 1.307 1.651 -0.000 -0.000 -0.000 3/32340 390.0 1.275 1.275 1.610 -0.000 -0.000 -0.000 3/32340 400.0 1.244 1.244 1.572 -0.000 -0.000 -0.000 3/32340 410.0 1.214 1.214 1.536 -0.000 -0.000 -0.000 3/32340 420.0 1.186 1.186 1.501 -0.000 -0.000 -0.000 3/32340 430.0 1.159 1.159 1.468 -0.000 -0.000 -0.000 3/32340 440.0 1.134 1.134 1.436 -0.000 -0.000 -0.000 3/32340 450.0 1.109 1.109 1.406 -0.000 -0.000 -0.000 3/32340 460.0 1.086 1.086 1.377 -0.000 -0.000 -0.000 3/32340 470.0 1.063 1.063 1.349 -0.000 -0.000 -0.000 3/32340 480.0 1.042 1.042 1.322 -0.000 -0.000 -0.000 3/32340 490.0 1.021 1.021 1.296 -0.000 -0.000 -0.000 3/32340 500.0 1.001 1.001 1.271 -0.000 -0.000 -0.000 3/32340 510.0 0.982 0.982 1.248 -0.000 -0.000 -0.000 3/32340 520.0 0.964 0.964 1.225 -0.000 -0.000 -0.000 3/32340 530.0 0.946 0.946 1.203 -0.000 -0.000 -0.000 3/32340 540.0 0.929 0.929 1.181 -0.000 -0.000 -0.000 3/32340 550.0 0.913 0.913 1.161 -0.000 -0.000 -0.000 3/32340 560.0 0.897 0.897 1.141 -0.000 -0.000 -0.000 3/32340 570.0 0.882 0.882 1.122 -0.000 -0.000 -0.000 3/32340 580.0 0.867 0.867 1.103 -0.000 -0.000 -0.000 3/32340 590.0 0.853 0.853 1.085 -0.000 -0.000 -0.000 3/32340 600.0 0.839 0.839 1.068 -0.000 -0.000 -0.000 3/32340 610.0 0.825 0.825 1.051 -0.000 -0.000 -0.000 3/32340 620.0 0.812 0.812 1.035 -0.000 -0.000 -0.000 3/32340 630.0 0.800 0.800 1.019 -0.000 -0.000 -0.000 3/32340 640.0 0.788 0.788 1.003 -0.000 -0.000 -0.000 3/32340 650.0 0.776 0.776 0.988 -0.000 -0.000 -0.000 3/32340 660.0 0.764 0.764 0.974 -0.000 -0.000 -0.000 3/32340 670.0 0.753 0.753 0.960 -0.000 -0.000 -0.000 3/32340 680.0 0.742 0.742 0.946 -0.000 -0.000 -0.000 3/32340 690.0 0.732 0.732 0.933 -0.000 -0.000 -0.000 3/32340 700.0 0.722 0.722 0.920 -0.000 -0.000 -0.000 3/32340 710.0 0.712 0.712 0.907 -0.000 -0.000 -0.000 3/32340 720.0 0.702 0.702 0.895 -0.000 -0.000 -0.000 3/32340 730.0 0.693 0.693 0.883 -0.000 -0.000 -0.000 3/32340 740.0 0.683 0.683 0.872 -0.000 -0.000 -0.000 3/32340 750.0 0.675 0.675 0.860 -0.000 -0.000 -0.000 3/32340 760.0 0.666 0.666 0.849 -0.000 -0.000 -0.000 3/32340 770.0 0.657 0.657 0.839 -0.000 -0.000 -0.000 3/32340 780.0 0.649 0.649 0.828 -0.000 -0.000 -0.000 3/32340 790.0 0.641 0.641 0.818 -0.000 -0.000 -0.000 3/32340 800.0 0.633 0.633 0.808 -0.000 -0.000 -0.000 3/32340 810.0 0.625 0.625 0.798 -0.000 -0.000 -0.000 3/32340 820.0 0.618 0.618 0.789 -0.000 -0.000 -0.000 3/32340 830.0 0.611 0.611 0.780 -0.000 -0.000 -0.000 3/32340 840.0 0.604 0.604 0.771 -0.000 -0.000 -0.000 3/32340 850.0 0.597 0.597 0.762 -0.000 -0.000 -0.000 3/32340 860.0 0.590 0.590 0.753 -0.000 -0.000 -0.000 3/32340 870.0 0.583 0.583 0.745 -0.000 -0.000 -0.000 3/32340 880.0 0.577 0.577 0.736 -0.000 -0.000 -0.000 3/32340 890.0 0.570 0.570 0.728 -0.000 -0.000 -0.000 3/32340 900.0 0.564 0.564 0.720 -0.000 -0.000 -0.000 3/32340 910.0 0.558 0.558 0.713 -0.000 -0.000 -0.000 3/32340 920.0 0.552 0.552 0.705 -0.000 -0.000 -0.000 3/32340 930.0 0.546 0.546 0.697 -0.000 -0.000 -0.000 3/32340 940.0 0.540 0.540 0.690 -0.000 -0.000 -0.000 3/32340 950.0 0.535 0.535 0.683 -0.000 -0.000 -0.000 3/32340 960.0 0.529 0.529 0.676 -0.000 -0.000 -0.000 3/32340 970.0 0.524 0.524 0.669 -0.000 -0.000 -0.000 3/32340 980.0 0.519 0.519 0.663 -0.000 -0.000 -0.000 3/32340 990.0 0.513 0.513 0.656 -0.000 -0.000 -0.000 3/32340 1000.0 0.508 0.508 0.650 -0.000 -0.000 -0.000 3/32340 Thermal conductivity related properties were written into "kappa-m17154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:26:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|