----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:59:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.693457880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.693457880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.831183090000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.50000000000000 0.57976000497666 6.941 *2 Li 0.76363600287836 0.23636399712164 0.00000000000000 6.941 3 Li 0.50000000000000 0.00000000000000 0.92023999502334 6.941 4 Li 0.23636399712164 0.76363600287836 0.00000000000000 6.941 5 Li 0.73636399712164 0.26363600287836 0.50000000000000 6.941 *6 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 7 Li 0.00000000000000 0.50000000000000 0.07976000497666 6.941 8 Li 0.73636399712164 0.73636399712164 0.50000000000000 6.941 9 Li 0.26363600287836 0.26363600287836 0.50000000000000 6.941 10 Li 0.23636399712164 0.23636399712164 0.00000000000000 6.941 11 Li 0.76363600287836 0.76363600287836 0.00000000000000 6.941 12 Li 0.26363600287836 0.73636399712164 0.50000000000000 6.941 13 Li 0.50000000000000 0.00000000000000 0.42023999502334 6.941 14 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *15 V 0.00000000000000 0.00000000000000 0.50000000000000 50.941 16 V 0.50000000000000 0.50000000000000 0.00000000000000 50.941 *17 N 0.22589399326135 0.00000000000000 0.71277186228472 14.007 18 N 0.50000000000000 0.27410600673865 0.21277186228472 14.007 19 N 0.27410600673865 0.50000000000000 0.78722813771528 14.007 20 N 0.77410600673865 0.00000000000000 0.71277186228472 14.007 21 N 0.72589399326135 0.50000000000000 0.78722813771528 14.007 22 N 0.00000000000000 0.77410600673865 0.28722813771528 14.007 23 N 0.50000000000000 0.72589399326135 0.21277186228472 14.007 24 N 0.00000000000000 0.22589399326135 0.28722813771528 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.693457880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.693457880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.831183090000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.50000000000000 0.57976000497666 6.941 > 1 *2 Li 0.76363600287836 0.23636399712164 0.00000000000000 6.941 > 2 3 Li 0.50000000000000 0.00000000000000 0.92023999502334 6.941 > 3 4 Li 0.23636399712164 0.76363600287836 0.00000000000000 6.941 > 4 5 Li 0.73636399712164 0.26363600287836 0.50000000000000 6.941 > 5 *6 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 6 7 Li 0.00000000000000 0.50000000000000 0.07976000497666 6.941 > 7 8 Li 0.73636399712164 0.73636399712164 0.50000000000000 6.941 > 8 9 Li 0.26363600287836 0.26363600287836 0.50000000000000 6.941 > 9 10 Li 0.23636399712164 0.23636399712164 0.00000000000000 6.941 > 10 11 Li 0.76363600287836 0.76363600287836 0.00000000000000 6.941 > 11 12 Li 0.26363600287836 0.73636399712164 0.50000000000000 6.941 > 12 13 Li 0.50000000000000 0.00000000000000 0.42023999502334 6.941 > 13 14 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 14 *15 V 0.00000000000000 0.00000000000000 0.50000000000000 50.941 > 15 16 V 0.50000000000000 0.50000000000000 0.00000000000000 50.941 > 16 *17 N 0.22589399326135 0.00000000000000 0.71277186228472 14.007 > 17 18 N 0.50000000000000 0.27410600673865 0.21277186228472 14.007 > 18 19 N 0.27410600673865 0.50000000000000 0.78722813771528 14.007 > 19 20 N 0.77410600673865 0.00000000000000 0.71277186228472 14.007 > 20 21 N 0.72589399326135 0.50000000000000 0.78722813771528 14.007 > 21 22 N 0.00000000000000 0.77410600673865 0.28722813771528 14.007 > 22 23 N 0.50000000000000 0.72589399326135 0.21277186228472 14.007 > 23 24 N 0.00000000000000 0.22589399326135 0.28722813771528 14.007 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.693457880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.693457880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.662366179999999 Atomic positions (fractional): *1 Li 0.00000000000000 0.50000000000000 0.28988000248833 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.78988000248833 6.941 > 1 *3 Li 0.76363600287836 0.23636399712164 0.00000000000000 6.941 > 2 4 Li 0.76363600287836 0.23636399712164 0.50000000000000 6.941 > 2 5 Li 0.50000000000000 0.00000000000000 0.46011999751167 6.941 > 3 6 Li 0.50000000000000 0.00000000000000 0.96011999751167 6.941 > 3 7 Li 0.23636399712164 0.76363600287836 0.00000000000000 6.941 > 4 8 Li 0.23636399712164 0.76363600287836 0.50000000000000 6.941 > 4 9 Li 0.73636399712164 0.26363600287836 0.25000000000000 6.941 > 5 10 Li 0.73636399712164 0.26363600287836 0.75000000000000 6.941 > 5 *11 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 6 12 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 6 13 Li 0.00000000000000 0.50000000000000 0.03988000248833 6.941 > 7 14 Li 0.00000000000000 0.50000000000000 0.53988000248833 6.941 > 7 15 Li 0.73636399712164 0.73636399712164 0.25000000000000 6.941 > 8 16 Li 0.73636399712164 0.73636399712164 0.75000000000000 6.941 > 8 17 Li 0.26363600287836 0.26363600287836 0.25000000000000 6.941 > 9 18 Li 0.26363600287836 0.26363600287836 0.75000000000000 6.941 > 9 19 Li 0.23636399712164 0.23636399712164 0.00000000000000 6.941 > 10 20 Li 0.23636399712164 0.23636399712164 0.50000000000000 6.941 > 10 21 Li 0.76363600287836 0.76363600287836 0.00000000000000 6.941 > 11 22 Li 0.76363600287836 0.76363600287836 0.50000000000000 6.941 > 11 23 Li 0.26363600287836 0.73636399712164 0.25000000000000 6.941 > 12 24 Li 0.26363600287836 0.73636399712164 0.75000000000000 6.941 > 12 25 Li 0.50000000000000 0.00000000000000 0.21011999751167 6.941 > 13 26 Li 0.50000000000000 0.00000000000000 0.71011999751167 6.941 > 13 27 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 14 28 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 14 *29 V 0.00000000000000 0.00000000000000 0.25000000000000 50.941 > 15 30 V 0.00000000000000 0.00000000000000 0.75000000000000 50.941 > 15 31 V 0.50000000000000 0.50000000000000 0.00000000000000 50.941 > 16 32 V 0.50000000000000 0.50000000000000 0.50000000000000 50.941 > 16 *33 N 0.22589399326135 0.00000000000000 0.35638593114236 14.007 > 17 34 N 0.22589399326135 0.00000000000000 0.85638593114236 14.007 > 17 35 N 0.50000000000000 0.27410600673865 0.10638593114236 14.007 > 18 36 N 0.50000000000000 0.27410600673865 0.60638593114236 14.007 > 18 37 N 0.27410600673865 0.50000000000000 0.39361406885764 14.007 > 19 38 N 0.27410600673865 0.50000000000000 0.89361406885764 14.007 > 19 39 N 0.77410600673865 0.00000000000000 0.35638593114236 14.007 > 20 40 N 0.77410600673865 0.00000000000000 0.85638593114236 14.007 > 20 41 N 0.72589399326135 0.50000000000000 0.39361406885764 14.007 > 21 42 N 0.72589399326135 0.50000000000000 0.89361406885764 14.007 > 21 43 N 0.00000000000000 0.77410600673865 0.14361406885764 14.007 > 22 44 N 0.00000000000000 0.77410600673865 0.64361406885764 14.007 > 22 45 N 0.50000000000000 0.72589399326135 0.10638593114236 14.007 > 23 46 N 0.50000000000000 0.72589399326135 0.60638593114236 14.007 > 23 47 N 0.00000000000000 0.22589399326135 0.14361406885764 14.007 > 24 48 N 0.00000000000000 0.22589399326135 0.64361406885764 14.007 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1323460 0.0000000 0.0000000 0.0000000 5.1323460 0.0000000 0.0000000 0.0000000 4.8632212 -------------------------- Born effective charges -------------------------- 1 Li 1.3714732 0.0000000 0.0000000 0.0000000 1.3513104 0.0000000 0.0000000 0.0000000 0.8859029 2 Li 0.8091569 -0.4379043 0.0013888 -0.4379043 0.8091569 0.0013888 0.2309651 0.2309651 0.8531632 3 Li 1.3714732 0.0000000 0.0000000 0.0000000 1.3513104 0.0000000 0.0000000 0.0000000 0.8859029 4 Li 0.8091569 -0.4379043 -0.0013888 -0.4379043 0.8091569 -0.0013888 -0.2309651 -0.2309651 0.8531632 5 Li 0.8091569 -0.4379043 0.0013888 -0.4379043 0.8091569 0.0013888 0.2309651 0.2309651 0.8531632 6 Li 0.3399505 0.0000000 0.0000000 0.0000000 0.3399505 0.0000000 0.0000000 0.0000000 1.1656677 7 Li 1.3513104 0.0000000 0.0000000 0.0000000 1.3714732 0.0000000 0.0000000 0.0000000 0.8859029 8 Li 0.8091569 0.4379043 0.0013888 0.4379043 0.8091569 -0.0013888 0.2309651 -0.2309651 0.8531632 9 Li 0.8091569 0.4379043 -0.0013888 0.4379043 0.8091569 0.0013888 -0.2309651 0.2309651 0.8531632 10 Li 0.8091569 0.4379043 -0.0013888 0.4379043 0.8091569 0.0013888 -0.2309651 0.2309651 0.8531632 11 Li 0.8091569 0.4379043 0.0013888 0.4379043 0.8091569 -0.0013888 0.2309651 -0.2309651 0.8531632 12 Li 0.8091569 -0.4379043 -0.0013888 -0.4379043 0.8091569 -0.0013888 -0.2309651 -0.2309651 0.8531632 13 Li 1.3513104 0.0000000 0.0000000 0.0000000 1.3714732 0.0000000 0.0000000 0.0000000 0.8859029 14 Li 0.3399505 0.0000000 0.0000000 0.0000000 0.3399505 0.0000000 0.0000000 0.0000000 1.1656677 15 V 2.7031083 0.0000000 0.0000000 0.0000000 2.7031083 0.0000000 0.0000000 0.0000000 2.2841508 16 V 2.7031083 0.0000000 0.0000000 0.0000000 2.7031083 0.0000000 0.0000000 0.0000000 2.2841508 17 N -3.0021391 0.0000000 -0.9668645 0.0000000 -1.4990960 0.0000000 -0.7008911 0.0000000 -2.1585693 18 N -1.4990960 0.0000000 0.0000000 0.0000000 -3.0021391 0.9668645 0.0000000 0.7008911 -2.1585693 19 N -3.0021391 0.0000000 -0.9668645 0.0000000 -1.4990960 0.0000000 -0.7008911 0.0000000 -2.1585693 20 N -3.0021391 0.0000000 0.9668645 0.0000000 -1.4990960 0.0000000 0.7008911 0.0000000 -2.1585693 21 N -3.0021391 0.0000000 0.9668645 0.0000000 -1.4990960 0.0000000 0.7008911 0.0000000 -2.1585693 22 N -1.4990960 0.0000000 0.0000000 0.0000000 -3.0021391 -0.9668645 0.0000000 -0.7008911 -2.1585693 23 N -1.4990960 0.0000000 0.0000000 0.0000000 -3.0021391 -0.9668645 0.0000000 -0.7008911 -2.1585693 24 N -1.4990960 0.0000000 0.0000000 0.0000000 -3.0021391 0.9668645 0.0000000 0.7008911 -2.1585693 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 144/144 Permutation basis: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 395 Number of blocks in projector: 403 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: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 79 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (395, 378), data: False |-- (48, 47), data: True |-- (79, 74), data: True |-- (128, 124), data: True |-- (140, 133), data: True ----- Solver_atoms: 1 -- 48 / 48 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 240 - Time: 0.124 Solver_block: 200 / 240 - Time: 0.127 Solver_block: 240 / 240 - Time: 0.060 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.317 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 144/144 Permutation basis: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 395 Number of blocks in projector: 403 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: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 79 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 48 Use standard eigh solver. Tree of FC basis block matrices: - (395, 378), data: False |-- (48, 47), data: True |-- (79, 74), data: True |-- (128, 124), data: True |-- (140, 133), 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 19:59:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:59:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.693457880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.693457880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.831183090000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.50000000000000 0.57976000497666 6.941 2 Li 0.76363600287836 0.23636399712164 0.00000000000000 6.941 3 Li 0.50000000000000 0.00000000000000 0.92023999502334 6.941 4 Li 0.23636399712164 0.76363600287836 0.00000000000000 6.941 5 Li 0.73636399712164 0.26363600287836 0.50000000000000 6.941 6 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 7 Li 0.00000000000000 0.50000000000000 0.07976000497666 6.941 8 Li 0.73636399712164 0.73636399712164 0.50000000000000 6.941 9 Li 0.26363600287836 0.26363600287836 0.50000000000000 6.941 10 Li 0.23636399712164 0.23636399712164 0.00000000000000 6.941 11 Li 0.76363600287836 0.76363600287836 0.00000000000000 6.941 12 Li 0.26363600287836 0.73636399712164 0.50000000000000 6.941 13 Li 0.50000000000000 0.00000000000000 0.42023999502334 6.941 14 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 15 V 0.00000000000000 0.00000000000000 0.50000000000000 50.941 16 V 0.50000000000000 0.50000000000000 0.00000000000000 50.941 17 N 0.22589399326135 0.00000000000000 0.71277186228472 14.007 18 N 0.50000000000000 0.27410600673865 0.21277186228472 14.007 19 N 0.27410600673865 0.50000000000000 0.78722813771528 14.007 20 N 0.77410600673865 0.00000000000000 0.71277186228472 14.007 21 N 0.72589399326135 0.50000000000000 0.78722813771528 14.007 22 N 0.00000000000000 0.77410600673865 0.28722813771528 14.007 23 N 0.50000000000000 0.72589399326135 0.21277186228472 14.007 24 N 0.00000000000000 0.22589399326135 0.28722813771528 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.693457880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.693457880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.662366179999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.50000000000000 0.28988000248833 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.78988000248833 6.941 > 1 3 Li 0.76363600287836 0.23636399712164 0.00000000000000 6.941 > 3 4 Li 0.76363600287836 0.23636399712164 0.50000000000000 6.941 > 3 5 Li 0.50000000000000 0.00000000000000 0.46011999751167 6.941 > 5 6 Li 0.50000000000000 0.00000000000000 0.96011999751167 6.941 > 5 7 Li 0.23636399712164 0.76363600287836 0.00000000000000 6.941 > 7 8 Li 0.23636399712164 0.76363600287836 0.50000000000000 6.941 > 7 9 Li 0.73636399712164 0.26363600287836 0.25000000000000 6.941 > 9 10 Li 0.73636399712164 0.26363600287836 0.75000000000000 6.941 > 9 11 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 11 12 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 11 13 Li 0.00000000000000 0.50000000000000 0.03988000248833 6.941 > 13 14 Li 0.00000000000000 0.50000000000000 0.53988000248833 6.941 > 13 15 Li 0.73636399712164 0.73636399712164 0.25000000000000 6.941 > 15 16 Li 0.73636399712164 0.73636399712164 0.75000000000000 6.941 > 15 17 Li 0.26363600287836 0.26363600287836 0.25000000000000 6.941 > 17 18 Li 0.26363600287836 0.26363600287836 0.75000000000000 6.941 > 17 19 Li 0.23636399712164 0.23636399712164 0.00000000000000 6.941 > 19 20 Li 0.23636399712164 0.23636399712164 0.50000000000000 6.941 > 19 21 Li 0.76363600287836 0.76363600287836 0.00000000000000 6.941 > 21 22 Li 0.76363600287836 0.76363600287836 0.50000000000000 6.941 > 21 23 Li 0.26363600287836 0.73636399712164 0.25000000000000 6.941 > 23 24 Li 0.26363600287836 0.73636399712164 0.75000000000000 6.941 > 23 25 Li 0.50000000000000 0.00000000000000 0.21011999751167 6.941 > 25 26 Li 0.50000000000000 0.00000000000000 0.71011999751167 6.941 > 25 27 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 27 28 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 27 29 V 0.00000000000000 0.00000000000000 0.25000000000000 50.941 > 29 30 V 0.00000000000000 0.00000000000000 0.75000000000000 50.941 > 29 31 V 0.50000000000000 0.50000000000000 0.00000000000000 50.941 > 31 32 V 0.50000000000000 0.50000000000000 0.50000000000000 50.941 > 31 33 N 0.22589399326135 0.00000000000000 0.35638593114236 14.007 > 33 34 N 0.22589399326135 0.00000000000000 0.85638593114236 14.007 > 33 35 N 0.50000000000000 0.27410600673865 0.10638593114236 14.007 > 35 36 N 0.50000000000000 0.27410600673865 0.60638593114236 14.007 > 35 37 N 0.27410600673865 0.50000000000000 0.39361406885764 14.007 > 37 38 N 0.27410600673865 0.50000000000000 0.89361406885764 14.007 > 37 39 N 0.77410600673865 0.00000000000000 0.35638593114236 14.007 > 39 40 N 0.77410600673865 0.00000000000000 0.85638593114236 14.007 > 39 41 N 0.72589399326135 0.50000000000000 0.39361406885764 14.007 > 41 42 N 0.72589399326135 0.50000000000000 0.89361406885764 14.007 > 41 43 N 0.00000000000000 0.77410600673865 0.14361406885764 14.007 > 43 44 N 0.00000000000000 0.77410600673865 0.64361406885764 14.007 > 43 45 N 0.50000000000000 0.72589399326135 0.10638593114236 14.007 > 45 46 N 0.50000000000000 0.72589399326135 0.60638593114236 14.007 > 45 47 N 0.00000000000000 0.22589399326135 0.14361406885764 14.007 > 47 48 N 0.00000000000000 0.22589399326135 0.64361406885764 14.007 > 47 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1323460 0.0000000 0.0000000 0.0000000 5.1323460 0.0000000 0.0000000 0.0000000 4.8632212 -------------------------- Born effective charges -------------------------- 1 Li 1.3714732 0.0000000 0.0000000 0.0000000 1.3513104 0.0000000 0.0000000 0.0000000 0.8859029 2 Li 0.8091569 -0.4379043 0.0013888 -0.4379043 0.8091569 0.0013888 0.2309651 0.2309651 0.8531632 3 Li 1.3714732 0.0000000 0.0000000 0.0000000 1.3513104 0.0000000 0.0000000 0.0000000 0.8859029 4 Li 0.8091569 -0.4379043 -0.0013888 -0.4379043 0.8091569 -0.0013888 -0.2309651 -0.2309651 0.8531632 5 Li 0.8091569 -0.4379043 0.0013888 -0.4379043 0.8091569 0.0013888 0.2309651 0.2309651 0.8531632 6 Li 0.3399505 0.0000000 0.0000000 0.0000000 0.3399505 0.0000000 0.0000000 0.0000000 1.1656677 7 Li 1.3513104 0.0000000 0.0000000 0.0000000 1.3714732 0.0000000 0.0000000 0.0000000 0.8859029 8 Li 0.8091569 0.4379043 0.0013888 0.4379043 0.8091569 -0.0013888 0.2309651 -0.2309651 0.8531632 9 Li 0.8091569 0.4379043 -0.0013888 0.4379043 0.8091569 0.0013888 -0.2309651 0.2309651 0.8531632 10 Li 0.8091569 0.4379043 -0.0013888 0.4379043 0.8091569 0.0013888 -0.2309651 0.2309651 0.8531632 11 Li 0.8091569 0.4379043 0.0013888 0.4379043 0.8091569 -0.0013888 0.2309651 -0.2309651 0.8531632 12 Li 0.8091569 -0.4379043 -0.0013888 -0.4379043 0.8091569 -0.0013888 -0.2309651 -0.2309651 0.8531632 13 Li 1.3513104 0.0000000 0.0000000 0.0000000 1.3714732 0.0000000 0.0000000 0.0000000 0.8859029 14 Li 0.3399505 0.0000000 0.0000000 0.0000000 0.3399505 0.0000000 0.0000000 0.0000000 1.1656677 15 V 2.7031083 0.0000000 0.0000000 0.0000000 2.7031083 0.0000000 0.0000000 0.0000000 2.2841508 16 V 2.7031083 0.0000000 0.0000000 0.0000000 2.7031083 0.0000000 0.0000000 0.0000000 2.2841508 17 N -3.0021391 0.0000000 -0.9668645 0.0000000 -1.4990960 0.0000000 -0.7008911 0.0000000 -2.1585693 18 N -1.4990960 0.0000000 0.0000000 0.0000000 -3.0021391 0.9668645 0.0000000 0.7008911 -2.1585693 19 N -3.0021391 0.0000000 -0.9668645 0.0000000 -1.4990960 0.0000000 -0.7008911 0.0000000 -2.1585693 20 N -3.0021391 0.0000000 0.9668645 0.0000000 -1.4990960 0.0000000 0.7008911 0.0000000 -2.1585693 21 N -3.0021391 0.0000000 0.9668645 0.0000000 -1.4990960 0.0000000 0.7008911 0.0000000 -2.1585693 22 N -1.4990960 0.0000000 0.0000000 0.0000000 -3.0021391 -0.9668645 0.0000000 -0.7008911 -2.1585693 23 N -1.4990960 0.0000000 0.0000000 0.0000000 -3.0021391 -0.9668645 0.0000000 -0.7008911 -2.1585693 24 N -1.4990960 0.0000000 0.0000000 0.0000000 -3.0021391 0.9668645 0.0000000 0.7008911 -2.1585693 ---------------------------------------------------------------------------- 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[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 11, 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[ 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] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000016 (xzx) 0.00000016 (xzx) 0.00000016 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) 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 19:59:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:59:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.693457880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.693457880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.831183090000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.50000000000000 0.57976000497666 6.941 2 Li 0.76363600287836 0.23636399712164 0.00000000000000 6.941 3 Li 0.50000000000000 0.00000000000000 0.92023999502334 6.941 4 Li 0.23636399712164 0.76363600287836 0.00000000000000 6.941 5 Li 0.73636399712164 0.26363600287836 0.50000000000000 6.941 6 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 7 Li 0.00000000000000 0.50000000000000 0.07976000497666 6.941 8 Li 0.73636399712164 0.73636399712164 0.50000000000000 6.941 9 Li 0.26363600287836 0.26363600287836 0.50000000000000 6.941 10 Li 0.23636399712164 0.23636399712164 0.00000000000000 6.941 11 Li 0.76363600287836 0.76363600287836 0.00000000000000 6.941 12 Li 0.26363600287836 0.73636399712164 0.50000000000000 6.941 13 Li 0.50000000000000 0.00000000000000 0.42023999502334 6.941 14 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 15 V 0.00000000000000 0.00000000000000 0.50000000000000 50.941 16 V 0.50000000000000 0.50000000000000 0.00000000000000 50.941 17 N 0.22589399326135 0.00000000000000 0.71277186228472 14.007 18 N 0.50000000000000 0.27410600673865 0.21277186228472 14.007 19 N 0.27410600673865 0.50000000000000 0.78722813771528 14.007 20 N 0.77410600673865 0.00000000000000 0.71277186228472 14.007 21 N 0.72589399326135 0.50000000000000 0.78722813771528 14.007 22 N 0.00000000000000 0.77410600673865 0.28722813771528 14.007 23 N 0.50000000000000 0.72589399326135 0.21277186228472 14.007 24 N 0.00000000000000 0.22589399326135 0.28722813771528 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.693457880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.693457880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.662366179999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.50000000000000 0.28988000248833 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.78988000248833 6.941 > 1 3 Li 0.76363600287836 0.23636399712164 0.00000000000000 6.941 > 3 4 Li 0.76363600287836 0.23636399712164 0.50000000000000 6.941 > 3 5 Li 0.50000000000000 0.00000000000000 0.46011999751167 6.941 > 5 6 Li 0.50000000000000 0.00000000000000 0.96011999751167 6.941 > 5 7 Li 0.23636399712164 0.76363600287836 0.00000000000000 6.941 > 7 8 Li 0.23636399712164 0.76363600287836 0.50000000000000 6.941 > 7 9 Li 0.73636399712164 0.26363600287836 0.25000000000000 6.941 > 9 10 Li 0.73636399712164 0.26363600287836 0.75000000000000 6.941 > 9 11 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 11 12 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 11 13 Li 0.00000000000000 0.50000000000000 0.03988000248833 6.941 > 13 14 Li 0.00000000000000 0.50000000000000 0.53988000248833 6.941 > 13 15 Li 0.73636399712164 0.73636399712164 0.25000000000000 6.941 > 15 16 Li 0.73636399712164 0.73636399712164 0.75000000000000 6.941 > 15 17 Li 0.26363600287836 0.26363600287836 0.25000000000000 6.941 > 17 18 Li 0.26363600287836 0.26363600287836 0.75000000000000 6.941 > 17 19 Li 0.23636399712164 0.23636399712164 0.00000000000000 6.941 > 19 20 Li 0.23636399712164 0.23636399712164 0.50000000000000 6.941 > 19 21 Li 0.76363600287836 0.76363600287836 0.00000000000000 6.941 > 21 22 Li 0.76363600287836 0.76363600287836 0.50000000000000 6.941 > 21 23 Li 0.26363600287836 0.73636399712164 0.25000000000000 6.941 > 23 24 Li 0.26363600287836 0.73636399712164 0.75000000000000 6.941 > 23 25 Li 0.50000000000000 0.00000000000000 0.21011999751167 6.941 > 25 26 Li 0.50000000000000 0.00000000000000 0.71011999751167 6.941 > 25 27 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 27 28 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 27 29 V 0.00000000000000 0.00000000000000 0.25000000000000 50.941 > 29 30 V 0.00000000000000 0.00000000000000 0.75000000000000 50.941 > 29 31 V 0.50000000000000 0.50000000000000 0.00000000000000 50.941 > 31 32 V 0.50000000000000 0.50000000000000 0.50000000000000 50.941 > 31 33 N 0.22589399326135 0.00000000000000 0.35638593114236 14.007 > 33 34 N 0.22589399326135 0.00000000000000 0.85638593114236 14.007 > 33 35 N 0.50000000000000 0.27410600673865 0.10638593114236 14.007 > 35 36 N 0.50000000000000 0.27410600673865 0.60638593114236 14.007 > 35 37 N 0.27410600673865 0.50000000000000 0.39361406885764 14.007 > 37 38 N 0.27410600673865 0.50000000000000 0.89361406885764 14.007 > 37 39 N 0.77410600673865 0.00000000000000 0.35638593114236 14.007 > 39 40 N 0.77410600673865 0.00000000000000 0.85638593114236 14.007 > 39 41 N 0.72589399326135 0.50000000000000 0.39361406885764 14.007 > 41 42 N 0.72589399326135 0.50000000000000 0.89361406885764 14.007 > 41 43 N 0.00000000000000 0.77410600673865 0.14361406885764 14.007 > 43 44 N 0.00000000000000 0.77410600673865 0.64361406885764 14.007 > 43 45 N 0.50000000000000 0.72589399326135 0.10638593114236 14.007 > 45 46 N 0.50000000000000 0.72589399326135 0.60638593114236 14.007 > 45 47 N 0.00000000000000 0.22589399326135 0.14361406885764 14.007 > 47 48 N 0.00000000000000 0.22589399326135 0.64361406885764 14.007 > 47 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1323460 0.0000000 0.0000000 0.0000000 5.1323460 0.0000000 0.0000000 0.0000000 4.8632212 -------------------------- Born effective charges -------------------------- 1 Li 1.3714732 0.0000000 0.0000000 0.0000000 1.3513104 0.0000000 0.0000000 0.0000000 0.8859029 2 Li 0.8091569 -0.4379043 0.0013888 -0.4379043 0.8091569 0.0013888 0.2309651 0.2309651 0.8531632 3 Li 1.3714732 0.0000000 0.0000000 0.0000000 1.3513104 0.0000000 0.0000000 0.0000000 0.8859029 4 Li 0.8091569 -0.4379043 -0.0013888 -0.4379043 0.8091569 -0.0013888 -0.2309651 -0.2309651 0.8531632 5 Li 0.8091569 -0.4379043 0.0013888 -0.4379043 0.8091569 0.0013888 0.2309651 0.2309651 0.8531632 6 Li 0.3399505 0.0000000 0.0000000 0.0000000 0.3399505 0.0000000 0.0000000 0.0000000 1.1656677 7 Li 1.3513104 0.0000000 0.0000000 0.0000000 1.3714732 0.0000000 0.0000000 0.0000000 0.8859029 8 Li 0.8091569 0.4379043 0.0013888 0.4379043 0.8091569 -0.0013888 0.2309651 -0.2309651 0.8531632 9 Li 0.8091569 0.4379043 -0.0013888 0.4379043 0.8091569 0.0013888 -0.2309651 0.2309651 0.8531632 10 Li 0.8091569 0.4379043 -0.0013888 0.4379043 0.8091569 0.0013888 -0.2309651 0.2309651 0.8531632 11 Li 0.8091569 0.4379043 0.0013888 0.4379043 0.8091569 -0.0013888 0.2309651 -0.2309651 0.8531632 12 Li 0.8091569 -0.4379043 -0.0013888 -0.4379043 0.8091569 -0.0013888 -0.2309651 -0.2309651 0.8531632 13 Li 1.3513104 0.0000000 0.0000000 0.0000000 1.3714732 0.0000000 0.0000000 0.0000000 0.8859029 14 Li 0.3399505 0.0000000 0.0000000 0.0000000 0.3399505 0.0000000 0.0000000 0.0000000 1.1656677 15 V 2.7031083 0.0000000 0.0000000 0.0000000 2.7031083 0.0000000 0.0000000 0.0000000 2.2841508 16 V 2.7031083 0.0000000 0.0000000 0.0000000 2.7031083 0.0000000 0.0000000 0.0000000 2.2841508 17 N -3.0021391 0.0000000 -0.9668645 0.0000000 -1.4990960 0.0000000 -0.7008911 0.0000000 -2.1585693 18 N -1.4990960 0.0000000 0.0000000 0.0000000 -3.0021391 0.9668645 0.0000000 0.7008911 -2.1585693 19 N -3.0021391 0.0000000 -0.9668645 0.0000000 -1.4990960 0.0000000 -0.7008911 0.0000000 -2.1585693 20 N -3.0021391 0.0000000 0.9668645 0.0000000 -1.4990960 0.0000000 0.7008911 0.0000000 -2.1585693 21 N -3.0021391 0.0000000 0.9668645 0.0000000 -1.4990960 0.0000000 0.7008911 0.0000000 -2.1585693 22 N -1.4990960 0.0000000 0.0000000 0.0000000 -3.0021391 -0.9668645 0.0000000 -0.7008911 -2.1585693 23 N -1.4990960 0.0000000 0.0000000 0.0000000 -3.0021391 -0.9668645 0.0000000 -0.7008911 -2.1585693 24 N -1.4990960 0.0000000 0.0000000 0.0000000 -3.0021391 0.9668645 0.0000000 0.7008911 -2.1585693 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000016 (xzx) 0.00000016 (xzx) 0.00000016 (xxz) 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 ... [ 7 7 10 ] 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: 0.69, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= 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 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 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 4.639 ( -0.000 0.000 0.000) 0.000 4.639 ( 0.000 -0.000 -0.000) 0.000 5.561 ( 0.000 0.000 0.000) 0.000 5.561 ( -0.000 0.000 -0.000) 0.000 5.562 ( 0.000 0.000 -0.000) 0.000 5.586 ( 0.000 0.000 0.000) 0.000 5.777 ( -0.000 0.000 0.000) 0.000 7.071 ( 0.000 0.000 -0.000) 0.000 7.071 ( 0.000 0.000 -0.000) 0.000 7.392 ( 0.000 0.000 0.000) 0.000 7.392 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.465 ( 0.000 0.000 0.000) 0.000 9.132 ( 0.000 -0.000 -0.000) 0.000 9.560 ( 0.000 0.000 -0.000) 0.000 9.560 ( 0.000 0.000 0.000) 0.000 10.851 ( -0.000 0.000 0.000) 0.000 10.851 ( -0.000 0.000 0.000) 0.000 10.903 ( 0.000 0.000 0.000) 0.000 10.903 ( 0.000 -0.000 0.000) 0.000 11.184 ( 0.000 0.000 0.000) 0.000 11.729 ( 0.000 0.000 -0.000) 0.000 11.960 ( 0.000 0.000 0.000) 0.000 11.960 ( 0.000 0.000 0.000) 0.000 11.992 ( 0.000 0.000 -0.000) 0.000 12.177 ( 0.000 0.000 0.000) 0.000 12.177 ( 0.000 -0.000 0.000) 0.000 12.213 ( 0.000 0.000 -0.000) 0.000 12.253 ( 0.000 0.000 -0.000) 0.000 12.253 ( 0.000 0.000 0.000) 0.000 12.741 ( 0.000 0.000 0.000) 0.000 13.029 ( 0.000 0.000 0.000) 0.000 13.391 ( 0.000 -0.000 0.000) 0.000 13.532 ( -0.000 0.000 -0.000) 0.000 14.222 ( -0.000 0.000 0.000) 0.000 14.222 ( 0.000 0.000 -0.000) 0.000 14.597 ( -0.000 0.000 0.000) 0.000 14.833 ( 0.000 0.000 0.000) 0.000 14.833 ( 0.000 -0.000 0.000) 0.000 15.014 ( -0.000 0.000 -0.000) 0.000 15.127 ( 0.000 0.000 0.000) 0.000 15.199 ( 0.000 0.000 -0.000) 0.000 15.241 ( 0.000 0.000 0.000) 0.000 15.241 ( 0.000 0.000 0.000) 0.000 15.618 ( 0.000 0.000 0.000) 0.000 15.847 ( 0.000 0.000 0.000) 0.000 16.000 ( -0.000 0.000 -0.000) 0.000 16.126 ( 0.000 0.000 -0.000) 0.000 16.246 ( 0.000 0.000 0.000) 0.000 16.267 ( -0.000 0.000 -0.000) 0.000 16.267 ( -0.000 0.000 0.000) 0.000 16.274 ( 0.000 0.000 -0.000) 0.000 16.274 ( -0.000 0.000 0.000) 0.000 16.793 ( 0.000 0.000 -0.000) 0.000 17.927 ( 0.000 0.000 0.000) 0.000 18.089 ( 0.000 0.000 -0.000) 0.000 18.089 ( 0.000 0.000 0.000) 0.000 18.387 ( 0.000 -0.000 -0.000) 0.000 18.387 ( 0.000 0.000 0.000) 0.000 18.902 ( 0.000 -0.000 -0.000) 0.000 19.520 ( 0.000 0.000 0.000) 0.000 22.187 ( -0.000 0.000 -0.000) 0.000 22.187 ( 0.000 -0.000 0.000) 0.000 22.455 ( -0.000 0.000 0.000) 0.000 22.455 ( -0.000 0.000 0.000) 0.000 22.817 ( 0.000 -0.000 0.000) 0.000 23.474 ( 0.000 0.000 0.000) 0.000 23.498 ( 0.000 -0.000 -0.000) 0.000 23.972 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 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 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 47.591 0.000 0.000) 47.591 1.467 ( 67.880 0.000 0.000) 67.880 1.767 ( 80.671 0.000 0.000) 80.671 4.739 ( 8.660 0.000 0.000) 8.660 4.847 ( 18.209 0.000 0.000) 18.209 5.280 ( -21.887 0.000 0.000) 21.887 5.574 ( -0.935 0.000 0.000) 0.935 5.591 ( 2.666 0.000 0.000) 2.666 5.724 ( -3.884 0.000 0.000) 3.884 6.371 ( 17.426 0.000 0.000) 17.426 7.122 ( 4.681 0.000 0.000) 4.681 7.199 ( -17.754 0.000 0.000) 17.754 7.341 ( 5.123 0.000 0.000) 5.123 7.390 ( -0.919 0.000 0.000) 0.919 8.006 ( -1.872 0.000 0.000) 1.872 8.392 ( -6.789 0.000 0.000) 6.789 8.988 ( -8.945 0.000 0.000) 8.945 9.628 ( 6.568 0.000 0.000) 6.568 9.658 ( 6.593 0.000 0.000) 6.593 10.404 ( -29.714 0.000 0.000) 29.714 10.560 ( -28.655 0.000 0.000) 28.655 10.561 ( -24.152 0.000 0.000) 24.152 10.950 ( 8.040 0.000 0.000) 8.040 11.533 ( -4.376 0.000 0.000) 4.376 11.574 ( 19.371 0.000 0.000) 19.371 11.847 ( -3.700 0.000 0.000) 3.700 11.876 ( -8.357 0.000 0.000) 8.357 11.921 ( -18.690 0.000 0.000) 18.690 12.006 ( -9.017 0.000 0.000) 9.017 12.083 ( -16.073 0.000 0.000) 16.073 12.430 ( 25.875 0.000 0.000) 25.875 12.511 ( 11.955 0.000 0.000) 11.955 12.594 ( 22.205 0.000 0.000) 22.205 12.896 ( 11.128 0.000 0.000) 11.128 13.019 ( -1.126 0.000 0.000) 1.126 13.448 ( 4.753 0.000 0.000) 4.753 13.576 ( 4.344 0.000 0.000) 4.344 14.216 ( -0.471 0.000 0.000) 0.471 14.389 ( -16.410 0.000 0.000) 16.410 14.760 ( -6.960 0.000 0.000) 6.960 14.818 ( -1.492 0.000 0.000) 1.492 14.832 ( -0.514 0.000 0.000) 0.514 14.981 ( -6.891 0.000 0.000) 6.891 15.072 ( 5.321 0.000 0.000) 5.321 15.100 ( -9.292 0.000 0.000) 9.292 15.369 ( 9.789 0.000 0.000) 9.789 15.424 ( 10.549 0.000 0.000) 10.549 15.775 ( 13.946 0.000 0.000) 13.946 15.839 ( -0.478 0.000 0.000) 0.478 16.028 ( 2.298 0.000 0.000) 2.298 16.230 ( -3.056 0.000 0.000) 3.056 16.232 ( -3.152 0.000 0.000) 3.152 16.236 ( -0.746 0.000 0.000) 0.746 16.281 ( 0.091 0.000 0.000) 0.091 16.285 ( 12.527 0.000 0.000) 12.527 16.688 ( 0.041 0.000 0.000) 0.041 16.840 ( 3.505 0.000 0.000) 3.505 17.937 ( -0.268 0.000 0.000) 0.268 18.087 ( -0.065 0.000 0.000) 0.065 18.355 ( -2.817 0.000 0.000) 2.817 18.406 ( 2.968 0.000 0.000) 2.968 18.916 ( 1.377 0.000 0.000) 1.377 19.471 ( -4.334 0.000 0.000) 4.334 20.357 ( -13.506 0.000 0.000) 13.506 22.196 ( 0.848 0.000 0.000) 0.848 22.216 ( 2.669 0.000 0.000) 2.669 22.439 ( -1.412 0.000 0.000) 1.412 22.783 ( -3.192 0.000 0.000) 3.192 23.531 ( 4.885 0.000 0.000) 4.885 23.551 ( 4.770 0.000 0.000) 4.770 23.974 ( 0.171 0.000 0.000) 0.171 24.449 ( -3.662 0.000 0.000) 3.662 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 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 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 46.109 0.000 0.000) 46.109 2.876 ( 63.521 0.000 0.000) 63.521 3.374 ( 66.534 0.000 0.000) 66.534 4.730 ( -27.056 0.000 0.000) 27.056 4.949 ( 8.762 0.000 0.000) 8.762 5.297 ( 17.839 0.000 0.000) 17.839 5.577 ( 4.135 0.000 0.000) 4.135 5.654 ( -1.925 0.000 0.000) 1.925 5.664 ( 3.868 0.000 0.000) 3.868 6.660 ( -31.494 0.000 0.000) 31.494 6.769 ( 18.296 0.000 0.000) 18.296 7.265 ( 8.524 0.000 0.000) 8.524 7.307 ( -7.741 0.000 0.000) 7.741 7.465 ( 6.209 0.000 0.000) 6.209 7.902 ( -7.787 0.000 0.000) 7.787 8.188 ( -11.725 0.000 0.000) 11.725 8.867 ( -1.742 0.000 0.000) 1.742 9.770 ( -28.594 0.000 0.000) 28.594 9.791 ( -3.780 0.000 0.000) 3.780 9.840 ( 11.831 0.000 0.000) 11.831 9.878 ( -31.638 0.000 0.000) 31.638 10.031 ( -9.644 0.000 0.000) 9.644 11.131 ( 8.250 0.000 0.000) 8.250 11.350 ( -28.140 0.000 0.000) 28.140 11.487 ( -7.192 0.000 0.000) 7.192 11.647 ( -17.501 0.000 0.000) 17.501 11.707 ( -9.237 0.000 0.000) 9.237 11.835 ( -6.986 0.000 0.000) 6.986 11.917 ( 8.910 0.000 0.000) 8.910 11.961 ( 13.679 0.000 0.000) 13.679 12.707 ( 6.446 0.000 0.000) 6.446 12.919 ( 13.323 0.000 0.000) 13.323 12.994 ( 4.499 0.000 0.000) 4.499 13.088 ( 23.375 0.000 0.000) 23.375 13.133 ( 10.270 0.000 0.000) 10.270 13.545 ( 2.744 0.000 0.000) 2.744 13.726 ( 9.715 0.000 0.000) 9.715 13.996 ( -18.917 0.000 0.000) 18.917 14.193 ( -2.638 0.000 0.000) 2.638 14.553 ( -11.711 0.000 0.000) 11.711 14.770 ( -2.917 0.000 0.000) 2.917 14.838 ( 0.970 0.000 0.000) 0.970 14.843 ( -12.859 0.000 0.000) 12.859 14.880 ( -2.651 0.000 0.000) 2.651 15.233 ( 9.438 0.000 0.000) 9.438 15.600 ( 11.183 0.000 0.000) 11.183 15.624 ( 6.905 0.000 0.000) 6.905 15.837 ( 0.520 0.000 0.000) 0.520 16.054 ( -1.235 0.000 0.000) 1.235 16.145 ( -4.560 0.000 0.000) 4.560 16.146 ( 18.413 0.000 0.000) 18.413 16.194 ( 1.747 0.000 0.000) 1.747 16.202 ( -2.326 0.000 0.000) 2.326 16.256 ( -2.267 0.000 0.000) 2.267 16.479 ( 0.972 0.000 0.000) 0.972 16.818 ( 15.231 0.000 0.000) 15.231 16.891 ( 0.074 0.000 0.000) 0.074 17.850 ( -8.478 0.000 0.000) 8.478 18.092 ( 0.712 0.000 0.000) 0.712 18.276 ( -4.287 0.000 0.000) 4.287 18.570 ( 12.714 0.000 0.000) 12.714 18.961 ( 2.796 0.000 0.000) 2.796 19.352 ( -6.251 0.000 0.000) 6.251 19.970 ( -21.637 0.000 0.000) 21.637 22.225 ( 1.838 0.000 0.000) 1.838 22.297 ( 4.801 0.000 0.000) 4.801 22.396 ( -2.517 0.000 0.000) 2.517 22.687 ( -5.561 0.000 0.000) 5.561 23.656 ( 6.179 0.000 0.000) 6.179 23.684 ( 7.063 0.000 0.000) 7.063 23.980 ( 0.488 0.000 0.000) 0.488 24.337 ( -6.675 0.000 0.000) 6.675 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 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 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 42.765 0.000 0.000) 42.765 3.806 ( -31.303 0.000 0.000) 31.303 4.134 ( 52.458 0.000 0.000) 52.458 4.844 ( 39.465 0.000 0.000) 39.465 4.935 ( -16.950 0.000 0.000) 16.950 5.354 ( -8.502 0.000 0.000) 8.502 5.670 ( 4.360 0.000 0.000) 4.360 5.750 ( 4.860 0.000 0.000) 4.860 5.773 ( 2.547 0.000 0.000) 2.547 6.003 ( -23.623 0.000 0.000) 23.623 7.050 ( 5.584 0.000 0.000) 5.584 7.114 ( -6.304 0.000 0.000) 6.304 7.473 ( 10.601 0.000 0.000) 10.601 7.636 ( 11.159 0.000 0.000) 11.159 7.701 ( -10.424 0.000 0.000) 10.424 7.917 ( -13.490 0.000 0.000) 13.490 8.927 ( 8.089 0.000 0.000) 8.089 9.234 ( -20.497 0.000 0.000) 20.497 9.354 ( -13.903 0.000 0.000) 13.903 9.377 ( -15.415 0.000 0.000) 15.415 10.199 ( 21.707 0.000 0.000) 21.707 10.374 ( 25.274 0.000 0.000) 25.274 10.739 ( -27.995 0.000 0.000) 27.995 10.970 ( -29.220 0.000 0.000) 29.220 11.309 ( 8.727 0.000 0.000) 8.727 11.505 ( -9.499 0.000 0.000) 9.499 11.616 ( 3.502 0.000 0.000) 3.502 11.708 ( -5.020 0.000 0.000) 5.020 12.119 ( 7.370 0.000 0.000) 7.370 12.160 ( 4.074 0.000 0.000) 4.074 12.811 ( 3.964 0.000 0.000) 3.964 12.892 ( -3.680 0.000 0.000) 3.680 13.312 ( 13.301 0.000 0.000) 13.301 13.339 ( 9.969 0.000 0.000) 9.969 13.517 ( -5.649 0.000 0.000) 5.649 13.535 ( 7.238 0.000 0.000) 7.238 13.668 ( -0.224 0.000 0.000) 0.224 13.981 ( 13.594 0.000 0.000) 13.594 14.017 ( -15.158 0.000 0.000) 15.158 14.278 ( -13.763 0.000 0.000) 13.763 14.667 ( -2.077 0.000 0.000) 2.077 14.700 ( -3.368 0.000 0.000) 3.368 14.858 ( 0.515 0.000 0.000) 0.515 14.859 ( 0.108 0.000 0.000) 0.108 15.455 ( 10.677 0.000 0.000) 10.677 15.645 ( -5.502 0.000 0.000) 5.502 15.812 ( 7.167 0.000 0.000) 7.167 15.859 ( 1.045 0.000 0.000) 1.045 16.052 ( 2.796 0.000 0.000) 2.796 16.070 ( -0.980 0.000 0.000) 0.980 16.135 ( -3.903 0.000 0.000) 3.903 16.145 ( -6.013 0.000 0.000) 6.013 16.287 ( 5.729 0.000 0.000) 5.729 16.410 ( -5.333 0.000 0.000) 5.333 16.542 ( 16.101 0.000 0.000) 16.101 16.807 ( -8.265 0.000 0.000) 8.265 17.213 ( 19.211 0.000 0.000) 19.211 17.589 ( -15.423 0.000 0.000) 15.423 18.123 ( 2.215 0.000 0.000) 2.215 18.187 ( -3.772 0.000 0.000) 3.772 18.910 ( 16.637 0.000 0.000) 16.637 19.029 ( 2.842 0.000 0.000) 2.842 19.240 ( -2.240 0.000 0.000) 2.240 19.486 ( -22.003 0.000 0.000) 22.003 22.274 ( 2.712 0.000 0.000) 2.712 22.336 ( -3.005 0.000 0.000) 3.005 22.416 ( 6.208 0.000 0.000) 6.208 22.555 ( -6.578 0.000 0.000) 6.578 23.771 ( 4.060 0.000 0.000) 4.060 23.801 ( 2.191 0.000 0.000) 2.191 24.024 ( 4.799 0.000 0.000) 4.799 24.175 ( -8.090 0.000 0.000) 8.090 ======================= Grid point 8 (5/60) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 24.214 24.214 0.000) 34.244 1.423 ( 32.160 32.160 0.000) 45.481 3.045 ( 67.710 67.710 0.000) 95.756 4.694 ( 1.585 1.585 0.000) 2.242 5.075 ( -15.829 -15.829 0.000) 22.385 5.085 ( 14.109 14.109 0.000) 19.953 5.410 ( -11.660 -11.660 0.000) 16.490 5.554 ( -1.706 -1.706 0.000) 2.412 5.711 ( -1.252 -1.252 0.000) 1.770 6.393 ( 7.798 7.798 0.000) 11.028 7.150 ( -9.447 -9.447 0.000) 13.360 7.258 ( -6.150 -6.150 0.000) 8.698 7.329 ( 10.210 10.210 0.000) 14.439 7.506 ( 11.752 11.752 0.000) 16.620 7.951 ( -5.683 -5.683 0.000) 8.037 8.366 ( -2.825 -2.825 0.000) 3.995 8.759 ( -16.092 -16.092 0.000) 22.758 9.738 ( 11.567 11.567 0.000) 16.358 9.755 ( -34.566 -34.566 0.000) 48.883 9.766 ( 6.197 6.197 0.000) 8.764 10.725 ( 0.452 0.452 0.000) 0.639 10.774 ( -2.297 -2.297 0.000) 3.248 11.024 ( 4.367 4.367 0.000) 6.175 11.208 ( -9.100 -9.100 0.000) 12.869 11.587 ( -23.837 -23.837 0.000) 33.711 11.694 ( 6.322 6.322 0.000) 8.940 11.813 ( -0.041 -0.041 0.000) 0.058 11.890 ( -3.914 -3.914 0.000) 5.535 12.037 ( -4.626 -4.626 0.000) 6.543 12.049 ( -0.184 -0.184 0.000) 0.260 12.465 ( 7.525 7.525 0.000) 10.641 12.628 ( 6.632 6.632 0.000) 9.380 12.644 ( 8.914 8.914 0.000) 12.606 12.973 ( -1.935 -1.935 0.000) 2.737 13.169 ( 17.668 17.668 0.000) 24.987 13.504 ( 4.752 4.752 0.000) 6.721 13.605 ( 3.025 3.025 0.000) 4.278 14.236 ( 0.528 0.528 0.000) 0.747 14.281 ( -10.203 -10.203 0.000) 14.429 14.697 ( -4.712 -4.712 0.000) 6.664 14.702 ( -5.725 -5.725 0.000) 8.096 14.790 ( -2.780 -2.780 0.000) 3.932 14.979 ( -2.751 -2.751 0.000) 3.890 15.064 ( -6.862 -6.862 0.000) 9.704 15.099 ( -6.074 -6.074 0.000) 8.590 15.121 ( 4.537 4.537 0.000) 6.416 15.736 ( 13.678 13.678 0.000) 19.343 15.781 ( 2.233 2.233 0.000) 3.159 15.825 ( -0.886 -0.886 0.000) 1.253 15.973 ( -5.378 -5.378 0.000) 7.606 16.188 ( 0.360 0.360 0.000) 0.510 16.221 ( 0.948 0.948 0.000) 1.341 16.290 ( 2.046 2.046 0.000) 2.893 16.317 ( -5.179 -5.179 0.000) 7.325 16.476 ( 6.700 6.700 0.000) 9.475 16.713 ( 14.068 14.068 0.000) 19.895 16.867 ( 1.615 1.615 0.000) 2.283 17.939 ( -0.517 -0.517 0.000) 0.731 18.133 ( 1.902 1.902 0.000) 2.690 18.368 ( -0.800 -0.800 0.000) 1.132 18.403 ( 2.481 2.481 0.000) 3.509 18.932 ( 1.389 1.389 0.000) 1.965 19.427 ( -3.876 -3.876 0.000) 5.481 20.187 ( -13.762 -13.762 0.000) 19.462 22.155 ( -1.365 -1.365 0.000) 1.931 22.287 ( 4.128 4.128 0.000) 5.838 22.380 ( -3.266 -3.266 0.000) 4.618 22.784 ( -1.519 -1.519 0.000) 2.148 23.581 ( 4.335 4.335 0.000) 6.131 23.606 ( 4.895 4.895 0.000) 6.922 23.977 ( 0.205 0.205 0.000) 0.290 24.447 ( -1.874 -1.874 0.000) 2.650 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 62.479 -29.182 0.000) 68.958 2.213 ( 39.643 16.897 0.000) 43.094 4.351 ( 38.129 47.159 0.000) 60.645 4.675 ( -8.415 -1.001 0.000) 8.475 4.805 ( 7.095 -10.931 0.000) 13.032 5.210 ( -6.387 -27.784 0.000) 28.509 5.230 ( -5.816 -10.167 0.000) 11.713 5.512 ( -2.515 -3.976 0.000) 4.704 5.728 ( 4.515 3.192 0.000) 5.530 6.641 ( 14.048 -5.931 0.000) 15.249 6.801 ( -15.692 8.636 0.000) 17.912 7.267 ( 4.268 1.038 0.000) 4.392 7.565 ( 11.717 11.015 0.000) 16.081 7.714 ( 7.204 25.970 0.000) 26.951 7.744 ( -13.346 -12.544 0.000) 18.315 8.263 ( -6.930 3.868 0.000) 7.937 8.464 ( -9.973 -25.258 0.000) 27.156 9.040 ( -31.122 -35.894 0.000) 47.507 9.882 ( 5.189 4.781 0.000) 7.056 10.095 ( 18.242 18.302 0.000) 25.841 10.365 ( -14.717 26.653 0.000) 30.446 10.544 ( -26.892 26.518 0.000) 37.767 10.953 ( -27.319 -22.850 0.000) 35.615 11.053 ( 12.504 -5.267 0.000) 13.568 11.395 ( -0.439 -4.858 0.000) 4.878 11.743 ( -3.945 5.076 0.000) 6.429 11.853 ( -8.433 0.625 0.000) 8.456 11.922 ( 9.920 1.227 0.000) 9.996 11.963 ( -6.164 9.369 0.000) 11.215 11.964 ( 9.313 1.364 0.000) 9.412 12.684 ( 12.522 -8.085 0.000) 14.905 12.717 ( 3.326 0.687 0.000) 3.397 12.935 ( -2.068 -2.298 0.000) 3.091 12.981 ( 18.566 -8.183 0.000) 20.290 13.484 ( 10.005 18.641 0.000) 21.156 13.608 ( 3.741 5.082 0.000) 6.311 13.732 ( 9.425 0.821 0.000) 9.461 13.970 ( -17.510 -2.689 0.000) 17.715 14.219 ( -2.851 2.097 0.000) 3.539 14.521 ( -10.397 -3.469 0.000) 10.961 14.595 ( -6.853 -13.389 0.000) 15.041 14.701 ( -4.677 -4.928 0.000) 6.794 14.891 ( -2.600 0.027 0.000) 2.600 14.900 ( -5.116 -2.355 0.000) 5.632 15.160 ( 7.458 -21.254 0.000) 22.525 15.251 ( 7.093 1.659 0.000) 7.284 15.808 ( -7.762 -8.909 0.000) 11.816 15.819 ( 0.659 -1.057 0.000) 1.246 15.913 ( 5.396 -14.724 0.000) 15.682 15.954 ( 4.465 6.049 0.000) 7.519 16.115 ( -5.544 -10.666 0.000) 12.021 16.227 ( 1.738 3.148 0.000) 3.596 16.248 ( 1.156 2.439 0.000) 2.699 16.353 ( 5.411 11.817 0.000) 12.996 16.599 ( 3.705 8.879 0.000) 9.621 16.852 ( -4.189 -4.380 0.000) 6.061 17.111 ( 19.454 20.740 0.000) 28.436 17.892 ( -4.066 3.857 0.000) 5.604 18.153 ( 0.417 4.332 0.000) 4.352 18.303 ( -4.219 2.111 0.000) 4.718 18.564 ( 11.791 -0.262 0.000) 11.794 18.975 ( 2.624 1.269 0.000) 2.915 19.321 ( -5.681 -2.790 0.000) 6.330 19.818 ( -19.979 -12.871 0.000) 23.766 22.149 ( 0.793 -3.890 0.000) 3.970 22.314 ( -3.068 -5.470 0.000) 6.272 22.382 ( 4.725 4.804 0.000) 6.738 22.715 ( -4.479 0.935 0.000) 4.576 23.694 ( 5.708 3.344 0.000) 6.616 23.741 ( 7.061 5.057 0.000) 8.685 23.984 ( 0.611 0.272 0.000) 0.669 24.358 ( -6.068 0.933 0.000) 6.139 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( 38.243 7.364 0.000) 38.945 3.395 ( 46.446 -31.367 0.000) 56.046 3.970 ( -21.618 -2.802 0.000) 21.799 4.620 ( -38.854 -26.146 0.000) 46.832 5.028 ( 2.643 -33.004 0.000) 33.110 5.093 ( -1.764 -29.460 0.000) 29.512 5.287 ( 15.292 9.297 0.000) 17.897 5.441 ( -3.700 -1.548 0.000) 4.011 6.049 ( 26.670 25.403 0.000) 36.832 6.537 ( -14.391 21.556 0.000) 25.918 6.968 ( 16.156 -11.179 0.000) 19.646 7.293 ( -10.767 1.883 0.000) 10.930 7.557 ( 5.038 6.106 0.000) 7.916 7.717 ( -2.708 21.340 0.000) 21.512 7.856 ( 9.534 16.519 0.000) 19.073 8.072 ( -10.137 6.478 0.000) 12.030 8.349 ( -0.551 -28.327 0.000) 28.332 8.505 ( -16.787 -33.923 0.000) 37.850 9.973 ( -2.278 19.040 0.000) 19.176 10.073 ( -14.678 29.951 0.000) 33.354 10.079 ( 6.765 10.842 0.000) 12.779 10.413 ( -21.635 -13.764 0.000) 25.642 10.680 ( 25.978 17.562 0.000) 31.357 11.183 ( -18.638 5.433 0.000) 19.414 11.292 ( 10.870 0.860 0.000) 10.904 11.554 ( -14.311 7.745 0.000) 16.272 11.746 ( 2.999 9.574 0.000) 10.032 11.836 ( -5.210 10.104 0.000) 11.368 12.140 ( 7.505 2.514 0.000) 7.915 12.168 ( 5.139 0.892 0.000) 5.216 12.781 ( 3.144 -2.608 0.000) 4.085 12.853 ( -2.746 -2.777 0.000) 3.905 13.026 ( 16.382 -12.099 0.000) 20.366 13.304 ( 2.086 -11.765 0.000) 11.949 13.588 ( -2.058 -6.271 0.000) 6.600 13.605 ( 2.406 9.135 0.000) 9.447 13.718 ( 0.284 8.301 0.000) 8.306 13.901 ( -3.808 -3.081 0.000) 4.898 14.092 ( 0.057 3.280 0.000) 3.281 14.287 ( -11.290 -0.107 0.000) 11.291 14.517 ( 1.730 -10.341 0.000) 10.485 14.602 ( -4.746 -6.678 0.000) 8.193 14.860 ( -0.235 -1.774 0.000) 1.789 14.861 ( -0.464 -1.116 0.000) 1.209 15.358 ( 9.607 -21.909 0.000) 23.923 15.398 ( 5.654 -5.129 0.000) 7.633 15.652 ( -5.295 -12.684 0.000) 13.745 15.730 ( -11.246 -20.913 0.000) 23.745 15.882 ( 3.101 -0.823 0.000) 3.208 15.960 ( -2.968 2.554 0.000) 3.915 16.249 ( 0.767 5.089 0.000) 5.147 16.257 ( 0.441 3.651 0.000) 3.677 16.340 ( 16.186 -13.253 0.000) 20.920 16.505 ( 7.107 14.956 0.000) 16.559 16.613 ( -2.393 12.609 0.000) 12.834 16.668 ( -12.794 -11.454 0.000) 17.173 17.491 ( 15.525 19.328 0.000) 24.791 17.756 ( -9.136 13.072 0.000) 15.948 18.167 ( 1.195 3.628 0.000) 3.820 18.215 ( -3.440 2.320 0.000) 4.150 18.878 ( 16.339 -2.973 0.000) 16.607 19.036 ( 2.228 0.650 0.000) 2.321 19.210 ( -3.538 -2.367 0.000) 4.257 19.379 ( -19.485 -9.317 0.000) 21.598 22.185 ( 2.469 -5.423 0.000) 5.958 22.247 ( -3.164 -5.957 0.000) 6.746 22.489 ( 5.327 4.157 0.000) 6.758 22.606 ( -5.504 2.742 0.000) 6.149 23.803 ( 4.108 2.863 0.000) 5.007 23.846 ( 1.095 3.877 0.000) 4.028 24.040 ( 5.891 1.406 0.000) 6.056 24.203 ( -8.100 2.079 0.000) 8.362 ======================= Grid point 16 (8/60) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 23.054 23.054 0.000) 32.603 2.690 ( 26.323 26.323 0.000) 37.226 4.344 ( -17.368 -17.368 0.000) 24.562 4.551 ( -11.978 -11.978 0.000) 16.939 4.686 ( -19.916 -19.916 0.000) 28.165 4.796 ( -30.197 -30.197 0.000) 42.705 5.239 ( 17.082 17.082 0.000) 24.158 5.449 ( -2.146 -2.146 0.000) 3.035 6.047 ( 31.411 31.411 0.000) 44.422 6.595 ( 2.146 2.146 0.000) 3.035 6.816 ( -3.058 -3.058 0.000) 4.325 7.398 ( -18.533 -18.533 0.000) 26.210 7.583 ( 24.474 24.474 0.000) 34.611 7.788 ( 9.044 9.044 0.000) 12.790 8.037 ( -14.170 -14.170 0.000) 20.039 8.210 ( 17.746 17.746 0.000) 25.096 8.293 ( -1.158 -1.158 0.000) 1.638 8.328 ( -29.033 -29.033 0.000) 41.058 10.003 ( 5.276 5.276 0.000) 7.461 10.409 ( -19.188 -19.188 0.000) 27.136 10.466 ( 12.326 12.326 0.000) 17.431 10.817 ( 10.178 10.178 0.000) 14.394 10.827 ( -8.232 -8.232 0.000) 11.641 11.083 ( 13.882 13.882 0.000) 19.631 11.481 ( 6.183 6.183 0.000) 8.744 11.719 ( -4.209 -4.209 0.000) 5.953 11.859 ( 7.928 7.928 0.000) 11.212 12.007 ( 2.501 2.501 0.000) 3.536 12.022 ( 9.224 9.224 0.000) 13.045 12.104 ( 1.615 1.615 0.000) 2.284 12.649 ( 2.735 2.735 0.000) 3.868 12.707 ( -2.009 -2.009 0.000) 2.841 12.883 ( 2.429 2.429 0.000) 3.435 12.916 ( -0.541 -0.541 0.000) 0.764 13.718 ( -0.359 -0.359 0.000) 0.508 13.730 ( 5.388 5.388 0.000) 7.620 13.833 ( -11.503 -11.503 0.000) 16.268 13.851 ( 11.696 11.696 0.000) 16.541 14.274 ( 1.871 1.871 0.000) 2.646 14.278 ( -14.320 -14.320 0.000) 20.252 14.388 ( -8.294 -8.294 0.000) 11.730 14.603 ( -4.286 -4.286 0.000) 6.061 14.768 ( -9.052 -9.052 0.000) 12.801 14.811 ( -4.266 -4.266 0.000) 6.033 14.922 ( -0.440 -0.440 0.000) 0.622 15.292 ( 1.572 1.572 0.000) 2.223 15.575 ( -16.708 -16.708 0.000) 23.628 15.577 ( -10.209 -10.209 0.000) 14.438 15.837 ( 2.607 2.607 0.000) 3.686 15.941 ( -2.140 -2.140 0.000) 3.026 16.040 ( 1.091 1.091 0.000) 1.543 16.300 ( 2.991 2.991 0.000) 4.230 16.306 ( 2.518 2.518 0.000) 3.561 16.603 ( 10.866 10.866 0.000) 15.367 16.678 ( -11.854 -11.854 0.000) 16.764 16.775 ( 6.495 6.495 0.000) 9.185 17.546 ( 18.762 18.762 0.000) 26.534 17.996 ( 4.995 4.995 0.000) 7.064 18.228 ( 2.241 2.241 0.000) 3.169 18.327 ( -1.026 -1.026 0.000) 1.451 18.600 ( 5.021 5.021 0.000) 7.101 19.013 ( 2.207 2.207 0.000) 3.122 19.245 ( -4.024 -4.024 0.000) 5.691 19.484 ( -17.226 -17.226 0.000) 24.361 22.091 ( -1.362 -1.362 0.000) 1.927 22.210 ( -4.191 -4.191 0.000) 5.928 22.476 ( 4.078 4.078 0.000) 5.767 22.701 ( -2.120 -2.120 0.000) 2.998 23.784 ( 4.734 4.734 0.000) 6.694 23.880 ( 7.199 7.199 0.000) 10.181 23.988 ( 0.295 0.295 0.000) 0.417 24.339 ( -3.040 -3.040 0.000) 4.300 ======================= Grid point 17 (9/60) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 46.830 -13.399 0.000) 48.709 3.268 ( 24.767 11.282 0.000) 27.215 3.909 ( -22.565 -5.860 0.000) 23.313 3.982 ( -42.495 -29.792 0.000) 51.898 4.348 ( -5.590 -29.516 0.000) 30.041 4.371 ( -8.448 -28.895 0.000) 30.105 5.385 ( 2.370 -0.559 0.000) 2.435 5.417 ( -1.099 -1.573 0.000) 1.918 6.668 ( 15.197 10.988 0.000) 18.753 6.773 ( 15.794 10.360 0.000) 18.889 6.820 ( 1.739 6.313 0.000) 6.548 7.023 ( -14.705 -15.202 0.000) 21.150 7.760 ( -9.415 -24.726 0.000) 26.458 7.794 ( -9.067 -16.841 0.000) 19.127 8.057 ( 4.684 6.549 0.000) 8.052 8.078 ( 13.905 26.425 0.000) 29.860 8.254 ( 1.968 6.352 0.000) 6.650 8.405 ( -0.845 24.085 0.000) 24.099 10.068 ( 1.034 6.530 0.000) 6.612 10.125 ( -6.825 -3.873 0.000) 7.847 10.514 ( -1.943 8.393 0.000) 8.615 10.583 ( -9.482 6.228 0.000) 11.344 11.080 ( 13.640 21.871 0.000) 25.776 11.340 ( -11.115 13.555 0.000) 17.529 11.417 ( 14.530 9.903 0.000) 17.584 11.664 ( -7.148 -0.021 0.000) 7.148 11.987 ( 1.780 10.186 0.000) 10.340 12.043 ( -3.813 7.140 0.000) 8.095 12.228 ( 12.441 7.658 0.000) 14.609 12.275 ( 8.281 10.798 0.000) 13.608 12.715 ( 4.428 -3.286 0.000) 5.514 12.816 ( 13.391 -3.963 0.000) 13.965 12.856 ( -4.183 0.143 0.000) 4.186 13.027 ( 6.233 -12.586 0.000) 14.045 13.448 ( -16.768 -6.016 0.000) 17.815 13.544 ( -15.608 -14.444 0.000) 21.266 13.872 ( 5.713 5.622 0.000) 8.015 13.965 ( -2.614 7.110 0.000) 7.575 14.105 ( 3.149 -2.121 0.000) 3.797 14.224 ( -6.720 -5.880 0.000) 8.929 14.379 ( 6.448 -0.275 0.000) 6.454 14.508 ( -4.939 -1.483 0.000) 5.156 14.702 ( 0.843 -17.513 0.000) 17.533 14.742 ( -2.421 -10.463 0.000) 10.740 14.968 ( 5.773 -7.634 0.000) 9.571 15.194 ( -14.049 -15.495 0.000) 20.916 15.344 ( 0.413 -8.793 0.000) 8.803 15.407 ( -5.374 -9.792 0.000) 11.169 15.924 ( 4.873 3.419 0.000) 5.953 16.015 ( -3.103 2.090 0.000) 3.741 16.058 ( 11.828 -10.924 0.000) 16.101 16.339 ( -0.750 1.720 0.000) 1.877 16.344 ( 0.948 3.276 0.000) 3.410 16.375 ( -14.100 -13.366 0.000) 19.428 16.789 ( 6.079 10.857 0.000) 12.443 16.851 ( 0.391 8.919 0.000) 8.928 17.886 ( 12.633 16.449 0.000) 20.740 18.050 ( -1.716 12.974 0.000) 13.087 18.249 ( 0.133 3.539 0.000) 3.541 18.269 ( -2.694 2.297 0.000) 3.541 18.790 ( 12.211 -4.672 0.000) 13.074 19.048 ( -3.008 -0.636 0.000) 3.075 19.139 ( -10.347 -10.965 0.000) 15.076 19.159 ( -3.743 -2.063 0.000) 4.274 22.090 ( 1.149 -3.183 0.000) 3.384 22.134 ( -2.871 -4.256 0.000) 5.134 22.559 ( 3.779 2.447 0.000) 4.502 22.638 ( -3.494 0.285 0.000) 3.506 23.880 ( 3.960 4.036 0.000) 5.654 23.943 ( -1.574 4.484 0.000) 4.752 24.076 ( 7.689 1.873 0.000) 7.914 24.234 ( -6.515 0.260 0.000) 6.520 ======================= Grid point 24 (10/60) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 15.309 15.309 0.000) 21.650 3.390 ( -24.779 -24.779 0.000) 35.043 3.462 ( 2.871 2.871 0.000) 4.060 3.635 ( -14.512 -14.512 0.000) 20.523 3.921 ( -4.883 -4.883 0.000) 6.905 4.014 ( -8.531 -8.531 0.000) 12.065 5.358 ( -0.672 -0.672 0.000) 0.951 5.375 ( -1.956 -1.956 0.000) 2.766 6.617 ( 0.141 0.141 0.000) 0.200 6.718 ( -9.078 -9.078 0.000) 12.839 6.983 ( 8.192 8.192 0.000) 11.586 7.221 ( 11.551 11.551 0.000) 16.336 7.277 ( -13.618 -13.618 0.000) 19.258 7.508 ( -11.331 -11.331 0.000) 16.024 8.194 ( 4.807 4.807 0.000) 6.798 8.253 ( -0.589 -0.589 0.000) 0.833 8.645 ( 17.706 17.706 0.000) 25.040 8.769 ( 7.058 7.058 0.000) 9.982 10.161 ( 4.863 4.863 0.000) 6.877 10.199 ( 3.057 3.057 0.000) 4.323 10.533 ( -1.839 -1.839 0.000) 2.601 10.551 ( -3.886 -3.886 0.000) 5.496 11.446 ( 9.265 9.265 0.000) 13.102 11.568 ( -2.061 -2.061 0.000) 2.915 11.654 ( 6.840 6.840 0.000) 9.673 11.656 ( 9.738 9.738 0.000) 13.771 12.070 ( 0.488 0.488 0.000) 0.690 12.102 ( -1.813 -1.813 0.000) 2.564 12.509 ( 9.219 9.219 0.000) 13.038 12.556 ( 12.856 12.856 0.000) 18.181 12.691 ( 3.973 3.973 0.000) 5.619 12.752 ( 1.869 1.869 0.000) 2.643 12.887 ( -0.355 -0.355 0.000) 0.502 12.900 ( -0.431 -0.431 0.000) 0.609 13.159 ( -14.456 -14.456 0.000) 20.445 13.272 ( -13.212 -13.212 0.000) 18.684 13.977 ( 6.530 6.530 0.000) 9.235 14.066 ( 0.664 0.664 0.000) 0.940 14.088 ( 1.176 1.176 0.000) 1.664 14.103 ( -3.700 -3.700 0.000) 5.233 14.362 ( -9.331 -9.331 0.000) 13.196 14.413 ( -15.557 -15.557 0.000) 22.000 14.445 ( 4.189 4.189 0.000) 5.924 14.502 ( -0.788 -0.788 0.000) 1.114 14.913 ( -0.072 -0.072 0.000) 0.101 14.964 ( -5.491 -5.491 0.000) 7.765 15.244 ( -2.065 -2.065 0.000) 2.921 15.258 ( -3.771 -3.771 0.000) 5.333 15.930 ( 0.159 0.159 0.000) 0.224 15.999 ( 3.022 3.022 0.000) 4.274 16.036 ( -0.335 -0.335 0.000) 0.474 16.069 ( -11.775 -11.775 0.000) 16.653 16.393 ( 1.185 1.185 0.000) 1.676 16.393 ( 1.141 1.141 0.000) 1.614 16.954 ( 4.453 4.453 0.000) 6.298 16.975 ( 2.512 2.512 0.000) 3.552 18.169 ( 9.715 9.715 0.000) 13.740 18.256 ( 4.803 4.803 0.000) 6.793 18.292 ( -0.478 -0.478 0.000) 0.675 18.300 ( 0.957 0.957 0.000) 1.354 18.731 ( 0.996 0.996 0.000) 1.409 18.864 ( -10.235 -10.235 0.000) 14.474 19.094 ( 1.195 1.195 0.000) 1.690 19.123 ( -1.486 -1.486 0.000) 2.102 22.052 ( -0.441 -0.441 0.000) 0.624 22.069 ( -1.937 -1.937 0.000) 2.740 22.600 ( 1.526 1.526 0.000) 2.158 22.628 ( -1.023 -1.023 0.000) 1.447 23.961 ( 3.173 3.173 0.000) 4.488 23.999 ( 0.155 0.155 0.000) 0.219 24.132 ( 3.574 3.574 0.000) 5.054 24.206 ( -2.720 -2.720 0.000) 3.847 ======================= Grid point 49 (11/60) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.000 -0.000 45.065) 45.065 0.945 ( 0.000 0.000 45.065) 45.065 1.991 ( 0.000 0.000 94.974) 94.974 4.670 ( 0.000 0.000 3.020) 3.020 4.670 ( 0.000 0.000 3.020) 3.020 5.556 ( 0.000 0.000 -0.902) 0.902 5.556 ( 0.000 0.000 -0.902) 0.902 5.830 ( 0.000 0.000 24.608) 24.608 6.039 ( 0.000 0.000 28.941) 28.941 6.392 ( 0.000 0.000 43.615) 43.615 7.183 ( 0.000 0.000 6.724) 6.724 7.183 ( -0.000 0.000 6.724) 6.724 7.351 ( -0.000 -0.000 -0.369) 0.369 7.351 ( 0.000 0.000 -0.369) 0.369 8.194 ( 0.000 0.000 15.903) 15.903 9.239 ( 0.000 -0.000 11.175) 11.175 9.272 ( 0.000 0.000 14.551) 14.551 9.530 ( 0.000 0.000 -2.939) 2.939 9.530 ( 0.000 -0.000 -2.939) 2.939 10.784 ( 0.000 0.000 -4.476) 4.476 10.784 ( 0.000 0.000 -4.476) 4.476 10.943 ( 0.000 0.000 2.999) 2.999 10.943 ( 0.000 0.000 2.999) 2.999 10.967 ( 0.000 0.000 -16.957) 16.957 11.752 ( 0.000 0.000 1.885) 1.885 11.844 ( 0.000 0.000 -9.317) 9.317 11.844 ( 0.000 0.000 -9.317) 9.317 12.183 ( 0.000 0.000 -3.917) 3.917 12.220 ( 0.000 0.000 18.111) 18.111 12.222 ( -0.000 0.000 7.357) 7.357 12.222 ( 0.000 0.000 7.357) 7.357 12.408 ( -0.000 -0.000 9.410) 9.410 12.408 ( 0.000 0.000 9.410) 9.410 12.802 ( -0.000 -0.000 5.752) 5.752 13.046 ( 0.000 0.000 1.306) 1.306 13.268 ( 0.000 0.000 -11.659) 11.659 13.545 ( 0.000 0.000 1.120) 1.120 14.165 ( 0.000 0.000 -4.978) 4.978 14.165 ( 0.000 0.000 -4.978) 4.978 14.550 ( -0.000 -0.000 -4.338) 4.338 14.847 ( 0.000 0.000 -0.277) 0.277 14.847 ( 0.000 0.000 -0.277) 0.277 14.939 ( 0.000 0.000 -7.624) 7.624 15.175 ( 0.000 0.000 -2.728) 2.728 15.287 ( 0.000 -0.000 5.044) 5.044 15.287 ( 0.000 -0.000 5.044) 5.044 15.638 ( -0.000 -0.000 2.179) 2.179 15.704 ( 0.000 0.000 -13.666) 13.666 15.902 ( 0.000 0.000 -9.088) 9.088 16.108 ( 0.000 0.000 -13.084) 13.084 16.151 ( 0.000 0.000 2.332) 2.332 16.185 ( -0.000 0.000 -5.744) 5.744 16.185 ( -0.000 0.000 -5.744) 5.744 16.319 ( -0.000 0.000 2.432) 2.432 16.319 ( 0.000 0.000 2.432) 2.432 16.773 ( 0.000 0.000 -1.992) 1.992 16.804 ( 0.000 0.000 -5.520) 5.520 17.851 ( 0.000 -0.000 -6.795) 6.795 18.080 ( -0.000 0.000 -0.714) 0.714 18.080 ( 0.000 0.000 -0.714) 0.714 18.431 ( 0.000 0.000 4.050) 4.050 18.431 ( -0.000 -0.000 4.050) 4.050 18.909 ( -0.000 -0.000 0.349) 0.349 20.752 ( -0.000 0.000 -10.242) 10.242 22.139 ( 0.000 0.000 -4.495) 4.495 22.139 ( 0.000 0.000 -4.495) 4.495 22.410 ( 0.000 0.000 -4.255) 4.255 22.410 ( 0.000 0.000 -4.255) 4.255 22.764 ( 0.000 0.000 -4.384) 4.384 23.477 ( 0.000 0.000 0.069) 0.069 24.025 ( 0.000 0.000 4.657) 4.657 25.161 ( 0.000 0.000 -4.538) 4.538 ======================= Grid point 50 (12/60) ======================= q-point: ( 0.14 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 56.551 0.000 23.709) 61.320 1.857 ( 53.447 0.000 32.631) 62.621 2.341 ( 37.487 0.000 71.150) 80.422 4.770 ( 8.661 0.000 2.993) 9.163 4.871 ( 17.293 0.000 2.750) 17.510 5.529 ( -16.167 0.000 20.437) 26.059 5.592 ( 3.179 0.000 -0.315) 3.195 5.797 ( 3.312 0.000 13.240) 13.648 6.037 ( -0.295 0.000 25.345) 25.346 6.503 ( 11.530 0.000 30.255) 32.377 7.128 ( -12.257 0.000 -4.131) 12.935 7.292 ( 1.324 0.000 12.932) 13.000 7.307 ( 5.240 0.000 -3.297) 6.191 7.411 ( 6.289 0.000 8.242) 10.367 8.185 ( -1.461 0.000 15.902) 15.969 8.841 ( -22.241 0.000 26.757) 34.794 9.039 ( -12.168 0.000 5.257) 13.255 9.605 ( 5.248 0.000 -1.722) 5.523 9.652 ( 7.039 0.000 0.240) 7.043 10.349 ( -28.885 0.000 -5.396) 29.385 10.495 ( -25.122 0.000 -3.080) 25.310 10.644 ( -24.119 0.000 5.263) 24.687 10.871 ( 5.012 0.000 -5.936) 7.769 11.467 ( 21.208 0.000 -6.765) 22.261 11.523 ( -5.516 0.000 -1.901) 5.835 11.732 ( -6.016 0.000 -6.258) 8.681 11.924 ( -11.007 0.000 -3.495) 11.549 12.031 ( -16.503 0.000 9.247) 18.917 12.094 ( -5.256 0.000 13.579) 14.561 12.162 ( -7.798 0.000 5.649) 9.629 12.337 ( 16.204 0.000 -5.094) 16.986 12.614 ( 16.836 0.000 6.218) 17.948 12.697 ( 19.563 0.000 9.036) 21.549 12.954 ( 11.248 0.000 5.517) 12.528 13.025 ( -1.564 0.000 0.791) 1.752 13.320 ( 4.414 0.000 -12.001) 12.787 13.577 ( 3.367 0.000 -0.109) 3.369 14.107 ( -6.654 0.000 -8.068) 10.458 14.423 ( -8.269 0.000 1.045) 8.334 14.448 ( 13.432 0.000 -13.375) 18.955 14.761 ( -5.504 0.000 -4.978) 7.421 14.846 ( -0.944 0.000 1.325) 1.627 15.009 ( 4.435 0.000 -3.712) 5.784 15.075 ( -9.081 0.000 -2.571) 9.438 15.201 ( -7.163 0.000 7.715) 10.527 15.377 ( 7.510 0.000 1.378) 7.635 15.699 ( -0.258 0.000 -13.369) 13.371 15.755 ( -14.065 0.000 10.803) 17.735 15.796 ( 13.701 0.000 2.004) 13.847 15.970 ( 3.099 0.000 -4.243) 5.254 16.112 ( -1.002 0.000 -9.548) 9.601 16.159 ( -2.362 0.000 -5.668) 6.141 16.190 ( -3.312 0.000 -2.860) 4.376 16.310 ( -0.981 0.000 1.917) 2.154 16.315 ( 12.607 0.000 3.031) 12.966 16.685 ( -1.397 0.000 -0.967) 1.699 16.823 ( 3.784 0.000 -1.659) 4.132 17.881 ( 1.636 0.000 -5.380) 5.623 18.078 ( -0.022 0.000 -0.680) 0.680 18.399 ( -2.895 0.000 3.983) 4.924 18.401 ( 1.566 0.000 -0.686) 1.710 18.880 ( 21.401 0.000 -26.513) 34.072 18.934 ( 4.785 0.000 -2.521) 5.408 20.501 ( -18.267 0.000 0.838) 18.286 22.148 ( 0.839 0.000 -4.511) 4.588 22.168 ( 2.679 0.000 -4.467) 5.209 22.394 ( -1.461 0.000 -4.302) 4.544 22.711 ( -0.475 0.000 -7.831) 7.846 22.901 ( 24.519 0.000 -25.070) 35.067 23.539 ( 5.236 0.000 -0.399) 5.251 24.017 ( -0.767 0.000 3.739) 3.817 24.811 ( -20.567 0.000 9.572) 22.685 ======================= Grid point 51 (13/60) ======================= q-point: ( 0.29 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 35.464 0.000 53.301) 64.021 3.008 ( 59.888 0.000 12.349) 61.148 3.560 ( 61.779 0.000 20.184) 64.993 4.983 ( 9.121 0.000 3.250) 9.683 5.002 ( -23.115 0.000 23.463) 32.937 5.357 ( 16.888 0.000 8.032) 18.700 5.676 ( 4.250 0.000 0.782) 4.321 5.843 ( 2.569 0.000 21.378) 21.532 6.028 ( 0.069 0.000 29.117) 29.117 6.648 ( -29.868 0.000 -1.189) 29.892 6.816 ( 15.121 0.000 12.089) 19.359 7.314 ( -4.160 0.000 0.812) 4.239 7.421 ( 8.905 0.000 14.292) 16.839 7.579 ( 8.242 0.000 11.650) 14.271 8.096 ( -7.197 0.000 17.710) 19.117 8.445 ( -16.340 0.000 20.846) 26.487 8.860 ( -3.454 0.000 -0.627) 3.511 9.709 ( -2.282 0.000 -4.975) 5.473 9.733 ( -26.553 0.000 -2.910) 26.712 9.825 ( 9.275 0.000 -0.986) 9.327 9.872 ( -29.113 0.000 0.283) 29.114 10.149 ( -12.482 0.000 8.927) 15.346 10.892 ( -5.950 0.000 -13.122) 14.408 11.381 ( -14.620 0.000 -8.903) 17.117 11.590 ( -11.193 0.000 11.689) 16.184 11.672 ( -4.894 0.000 -0.124) 4.895 11.673 ( -6.547 0.000 4.501) 7.945 11.904 ( 13.527 0.000 -1.298) 13.589 11.951 ( -9.089 0.000 8.244) 12.271 12.077 ( 4.494 0.000 9.897) 10.870 12.610 ( 8.873 0.000 -7.531) 11.638 12.948 ( 0.800 0.000 0.128) 0.811 13.029 ( 13.107 0.000 3.795) 13.645 13.059 ( 11.809 0.000 0.131) 11.810 13.260 ( 18.484 0.000 8.986) 20.552 13.423 ( 4.470 0.000 -10.678) 11.576 13.695 ( 7.519 0.000 -3.465) 8.279 13.847 ( -16.015 0.000 -10.081) 18.923 14.306 ( -4.041 0.000 6.611) 7.749 14.464 ( -9.953 0.000 -7.206) 12.288 14.770 ( 5.386 0.000 -6.001) 8.063 14.789 ( -6.069 0.000 -0.252) 6.074 14.842 ( -8.931 0.000 1.296) 9.024 14.988 ( -4.961 0.000 7.299) 8.826 15.209 ( 8.038 0.000 -1.931) 8.267 15.566 ( 9.253 0.000 -3.414) 9.863 15.648 ( -0.608 0.000 -0.390) 0.722 15.704 ( 0.919 0.000 -12.652) 12.685 16.049 ( -0.244 0.000 -12.358) 12.360 16.057 ( -0.366 0.000 -5.656) 5.668 16.087 ( 0.678 0.000 3.885) 3.944 16.136 ( 0.402 0.000 -7.411) 7.422 16.191 ( 15.439 0.000 2.103) 15.581 16.263 ( -3.717 0.000 0.780) 3.798 16.482 ( -0.827 0.000 0.563) 1.000 16.826 ( 16.539 0.000 0.816) 16.560 16.881 ( 0.489 0.000 -0.918) 1.040 17.841 ( -6.703 0.000 -1.150) 6.801 18.087 ( 1.056 0.000 -0.330) 1.106 18.315 ( -4.663 0.000 3.571) 5.873 18.512 ( 9.898 0.000 -4.648) 10.935 18.975 ( 2.723 0.000 -0.916) 2.873 19.115 ( 2.466 0.000 -15.442) 15.637 20.055 ( -22.837 0.000 3.540) 23.110 22.176 ( 1.832 0.000 -4.547) 4.902 22.250 ( 4.890 0.000 -4.293) 6.507 22.350 ( -2.586 0.000 -4.412) 5.114 22.635 ( -5.090 0.000 -4.511) 6.802 23.345 ( 16.530 0.000 -22.228) 27.701 23.668 ( 6.041 0.000 -1.489) 6.222 23.996 ( -0.877 0.000 1.453) 1.697 24.450 ( -13.938 0.000 5.139) 14.855 ======================= Grid point 52 (14/60) ======================= q-point: ( 0.43 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( 35.866 0.000 43.377) 56.284 4.178 ( -23.540 0.000 32.814) 40.384 4.212 ( 50.723 0.000 7.421) 51.263 4.939 ( 35.117 0.000 10.268) 36.588 4.984 ( -15.835 0.000 4.733) 16.528 5.476 ( -9.701 0.000 10.033) 13.956 5.765 ( 4.772 0.000 1.133) 4.905 5.973 ( 6.805 0.000 22.339) 23.352 6.013 ( -23.169 0.000 0.897) 23.186 6.053 ( 0.610 0.000 27.462) 27.469 7.046 ( 6.145 0.000 5.181) 8.038 7.178 ( -6.638 0.000 6.337) 9.177 7.644 ( 11.576 0.000 15.637) 19.455 7.790 ( 12.817 0.000 13.669) 18.738 7.893 ( -11.187 0.000 17.547) 20.810 8.108 ( -15.653 0.000 16.346) 22.632 8.907 ( 8.125 0.000 -2.126) 8.399 9.213 ( -20.236 0.000 -1.967) 20.331 9.383 ( -12.172 0.000 3.696) 12.721 9.413 ( -14.022 0.000 3.662) 14.492 10.134 ( 18.698 0.000 -4.785) 19.301 10.354 ( 21.914 0.000 -1.284) 21.952 10.578 ( -20.864 0.000 -11.048) 23.609 10.893 ( -26.581 0.000 -6.262) 27.309 11.474 ( 1.071 0.000 12.014) 12.062 11.560 ( -5.569 0.000 4.561) 7.198 11.680 ( 3.892 0.000 5.804) 6.988 11.790 ( -6.259 0.000 6.991) 9.384 12.155 ( 8.161 0.000 2.658) 8.583 12.203 ( 3.699 0.000 4.834) 6.087 12.756 ( 5.583 0.000 -5.408) 7.773 12.867 ( -4.905 0.000 -2.894) 5.695 13.253 ( 8.759 0.000 -5.834) 10.524 13.316 ( 10.329 0.000 0.456) 10.339 13.456 ( -2.486 0.000 -5.237) 5.798 13.493 ( -13.183 0.000 -7.347) 15.093 13.707 ( 19.511 0.000 6.729) 20.638 13.908 ( 12.543 0.000 -7.008) 14.368 14.110 ( -15.754 0.000 6.846) 17.177 14.198 ( -13.745 0.000 -7.351) 15.587 14.676 ( 0.017 0.000 0.950) 0.950 14.737 ( -4.069 0.000 3.228) 5.194 14.863 ( 3.124 0.000 -0.304) 3.138 14.915 ( -2.232 0.000 4.488) 5.013 15.413 ( 10.005 0.000 -4.054) 10.796 15.594 ( -5.877 0.000 -4.962) 7.691 15.716 ( 3.619 0.000 -10.495) 11.101 15.739 ( 1.576 0.000 -10.613) 10.729 16.023 ( 0.445 0.000 -6.194) 6.210 16.037 ( 2.145 0.000 -2.200) 3.073 16.060 ( -2.240 0.000 -6.800) 7.160 16.150 ( -6.499 0.000 0.198) 6.502 16.249 ( 6.944 0.000 -1.269) 7.059 16.391 ( -6.060 0.000 -0.685) 6.099 16.555 ( 15.497 0.000 1.190) 15.543 16.808 ( -7.743 0.000 0.037) 7.743 17.231 ( 19.211 0.000 1.681) 19.284 17.602 ( -14.917 0.000 1.141) 14.960 18.130 ( 3.025 0.000 0.806) 3.130 18.213 ( -4.586 0.000 2.427) 5.188 18.777 ( 12.569 0.000 -9.380) 15.683 18.970 ( -4.908 0.000 -9.471) 10.667 19.210 ( 10.256 0.000 1.289) 10.337 19.567 ( -21.561 0.000 4.251) 21.976 22.225 ( 2.731 0.000 -4.562) 5.317 22.288 ( -3.057 0.000 -4.517) 5.454 22.371 ( 6.284 0.000 -4.011) 7.454 22.509 ( -6.437 0.000 -3.957) 7.556 23.627 ( 9.857 0.000 -12.752) 16.117 23.745 ( -0.537 0.000 -4.941) 4.970 24.017 ( 4.333 0.000 -0.406) 4.352 24.188 ( -10.710 0.000 0.228) 10.712 ======================= Grid point 57 (15/60) ======================= q-point: ( 0.14 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 18.326 18.326 32.034) 41.205 2.365 ( 20.954 20.954 68.087) 74.256 3.190 ( 60.176 60.176 16.379) 86.664 4.731 ( 1.973 1.973 3.865) 4.767 5.059 ( 6.966 6.966 1.502) 9.965 5.329 ( -5.746 -5.746 10.219) 13.056 5.507 ( -12.806 -12.806 18.088) 25.596 5.786 ( -0.698 -0.698 18.441) 18.467 6.090 ( 2.475 2.475 27.309) 27.533 6.579 ( 8.112 8.112 25.298) 27.778 7.146 ( -6.855 -6.855 -0.671) 9.717 7.200 ( -4.078 -4.078 -4.787) 7.495 7.439 ( 9.992 9.992 1.639) 14.226 7.498 ( 9.680 9.680 14.663) 20.060 8.131 ( -5.306 -5.306 15.923) 17.603 8.710 ( -9.586 -9.586 20.581) 24.645 8.818 ( -15.950 -15.950 10.179) 24.747 9.653 ( 5.159 5.159 -6.902) 10.044 9.746 ( -29.602 -29.602 -1.804) 41.902 9.784 ( 6.174 6.174 2.312) 9.032 10.683 ( -1.330 -1.330 -2.930) 3.481 10.700 ( -3.499 -3.499 -6.018) 7.791 11.047 ( 5.302 5.302 2.201) 7.814 11.194 ( -5.127 -5.127 -1.211) 7.351 11.599 ( -20.012 -20.012 -0.991) 28.318 11.636 ( 6.143 6.143 -4.261) 9.676 11.803 ( -3.131 -3.131 -2.111) 4.905 11.858 ( -1.893 -1.893 3.187) 4.163 12.112 ( -4.801 -4.801 6.304) 9.265 12.166 ( -0.772 -0.772 7.244) 7.326 12.491 ( 7.446 7.446 3.850) 11.212 12.648 ( 6.370 6.370 2.046) 9.238 12.763 ( 7.793 7.793 9.149) 14.324 12.992 ( -1.571 -1.571 1.982) 2.977 13.190 ( 15.190 15.190 1.481) 21.533 13.383 ( 6.104 6.104 -10.604) 13.673 13.586 ( 1.353 1.353 -1.672) 2.541 14.195 ( -8.737 -8.737 -8.016) 14.729 14.202 ( 1.184 1.184 -3.005) 3.440 14.565 ( 3.468 3.468 -4.732) 6.815 14.688 ( -5.810 -5.810 -4.079) 9.174 14.855 ( -1.423 -1.423 1.540) 2.534 14.954 ( -9.023 -9.023 -2.696) 13.042 15.029 ( 0.361 0.361 -2.700) 2.748 15.196 ( -1.694 -1.694 4.313) 4.934 15.216 ( -7.212 -7.212 8.982) 13.590 15.689 ( -0.525 -0.525 -12.961) 12.982 15.761 ( 5.554 5.554 2.831) 8.349 15.843 ( 0.576 0.576 2.971) 3.081 15.894 ( -3.864 -3.864 -7.549) 9.319 16.065 ( 0.011 0.011 -12.320) 12.320 16.125 ( -1.177 -1.177 -8.357) 8.521 16.285 ( 3.607 3.607 0.500) 5.125 16.355 ( -5.397 -5.397 3.240) 8.292 16.474 ( 6.650 6.650 0.245) 9.408 16.719 ( 14.688 14.688 0.422) 20.776 16.857 ( 2.139 2.139 -1.083) 3.213 17.891 ( 0.716 0.716 -4.501) 4.613 18.146 ( 2.813 2.813 0.739) 4.046 18.386 ( -0.621 -0.621 1.355) 1.615 18.397 ( 0.204 0.204 0.343) 0.448 18.947 ( 1.676 1.676 0.932) 2.547 19.019 ( 7.140 7.140 -25.845) 27.747 20.311 ( -15.542 -15.542 3.230) 22.216 22.112 ( -1.099 -1.099 -3.956) 4.250 22.235 ( 4.020 4.020 -4.852) 7.474 22.342 ( -2.960 -2.960 -3.577) 5.506 22.738 ( -1.254 -1.254 -3.856) 4.244 23.103 ( 15.910 15.910 -28.888) 36.617 23.592 ( 4.603 4.603 -0.913) 6.574 24.010 ( -0.629 -0.629 2.916) 3.049 24.660 ( -11.146 -11.146 7.962) 17.660 ======================= Grid point 58 (16/60) ======================= q-point: ( 0.29 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 54.994 -23.195 19.596) 62.820 2.926 ( 31.079 11.643 57.543) 66.428 4.409 ( 45.978 43.710 4.087) 63.570 4.846 ( -1.422 -8.583 9.024) 12.535 4.928 ( -3.920 -5.151 17.081) 18.266 5.232 ( -7.284 -26.765 2.509) 27.852 5.324 ( -7.100 -6.750 11.577) 15.166 5.763 ( -1.927 -6.440 22.369) 23.357 6.135 ( 3.178 5.236 32.433) 33.007 6.808 ( 2.948 5.258 12.111) 13.529 6.840 ( -3.108 5.555 9.403) 11.355 7.261 ( 5.338 -0.394 0.209) 5.356 7.640 ( 6.584 16.022 -2.260) 17.469 7.734 ( 12.333 11.843 14.981) 22.733 7.939 ( -12.511 -11.752 17.187) 24.290 8.498 ( -9.700 -22.073 3.610) 24.379 8.532 ( -9.434 4.941 21.838) 24.297 9.044 ( -29.651 -34.661 0.541) 45.616 9.888 ( 4.144 4.901 1.199) 6.529 9.942 ( 13.056 13.944 -12.233) 22.684 10.337 ( -15.752 21.418 -1.818) 26.649 10.550 ( -19.788 16.370 -2.077) 25.765 10.841 ( -12.974 2.191 -4.019) 13.758 11.128 ( -7.848 -11.124 2.696) 13.878 11.445 ( 2.881 -6.620 4.242) 8.374 11.728 ( -1.207 4.672 -1.361) 5.013 11.846 ( 4.917 1.940 1.396) 5.468 11.932 ( 4.040 1.991 1.375) 4.709 11.992 ( 3.387 1.686 3.154) 4.926 12.104 ( -4.551 3.297 9.679) 11.192 12.619 ( 6.078 1.172 -2.424) 6.648 12.798 ( 6.955 -5.467 4.318) 9.844 12.926 ( -0.785 -2.236 -0.075) 2.371 13.067 ( 13.725 -5.913 6.123) 16.150 13.446 ( 8.054 9.480 -6.877) 14.214 13.528 ( 4.690 9.465 -2.974) 10.974 13.685 ( 8.353 1.343 -4.627) 9.643 13.894 ( -13.533 2.647 -5.770) 14.948 14.251 ( -2.308 -3.356 1.220) 4.251 14.486 ( -9.259 0.135 -3.094) 9.763 14.594 ( -6.733 -10.834 -1.040) 12.798 14.716 ( -4.600 -8.742 0.678) 9.901 14.852 ( -1.781 0.198 -2.995) 3.490 14.975 ( -3.521 -3.077 5.474) 7.199 15.159 ( 3.792 -10.454 0.348) 11.126 15.270 ( 5.146 -6.712 1.098) 8.529 15.695 ( 1.335 -0.456 -11.079) 11.169 15.753 ( -6.589 -8.605 -5.442) 12.127 15.857 ( -2.145 -5.029 -5.891) 8.037 15.961 ( 10.088 -7.247 2.027) 12.586 16.078 ( -0.305 1.446 -10.887) 10.987 16.132 ( 0.023 -0.359 -10.098) 10.104 16.157 ( -4.589 -6.857 -0.943) 8.305 16.389 ( 6.221 12.491 3.566) 14.403 16.595 ( 3.569 8.922 -0.076) 9.610 16.856 ( -3.395 -3.287 0.261) 4.733 17.124 ( 19.565 20.863 1.184) 28.627 17.878 ( -2.616 3.668 -1.549) 4.764 18.165 ( -0.195 5.575 1.082) 5.682 18.331 ( -3.860 1.389 2.647) 4.882 18.504 ( 9.440 -0.587 -4.784) 10.599 18.992 ( 2.131 1.540 -0.673) 2.714 19.093 ( 0.735 -2.060 -14.811) 14.971 19.913 ( -20.636 -12.130 4.362) 24.331 22.111 ( 0.967 -3.324 -3.508) 4.928 22.280 ( -3.011 -4.679 -3.270) 6.454 22.329 ( 4.833 4.710 -4.792) 8.276 22.671 ( -4.434 1.453 -3.815) 6.027 23.430 ( 13.794 7.356 -21.042) 26.214 23.710 ( 5.637 3.655 -2.223) 7.076 23.993 ( -0.679 -0.332 0.845) 1.134 24.417 ( -11.106 -3.068 2.198) 11.730 ======================= Grid point 59 (17/60) ======================= q-point: ( 0.43 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( 43.186 -14.110 23.394) 51.102 3.688 ( 39.320 -11.319 35.485) 54.161 4.291 ( -25.321 -2.377 27.954) 37.792 4.724 ( -33.132 -20.301 10.789) 40.327 5.040 ( 1.688 -32.379 1.930) 32.480 5.114 ( -2.332 -29.178 2.252) 29.358 5.443 ( 21.700 14.371 11.618) 28.502 5.685 ( -5.218 -1.979 20.418) 21.166 6.313 ( 15.110 17.961 24.799) 34.145 6.628 ( -9.850 21.294 9.824) 25.436 7.129 ( 14.880 -4.578 15.151) 21.724 7.362 ( -1.206 13.974 4.694) 14.791 7.637 ( -3.241 -2.784 6.753) 7.991 7.717 ( -5.740 7.567 4.692) 10.594 8.018 ( 12.991 11.842 15.555) 23.472 8.267 ( -11.049 0.629 16.268) 19.676 8.428 ( -1.258 -16.111 7.252) 17.713 8.552 ( -14.584 -29.683 4.966) 33.443 9.932 ( -5.385 22.920 -4.327) 23.939 9.952 ( -3.340 13.220 -5.295) 14.628 10.119 ( 0.266 15.166 -0.417) 15.174 10.351 ( -13.374 -10.431 -5.720) 17.899 10.644 ( 12.891 18.711 -1.533) 22.773 10.981 ( -12.050 6.331 -9.503) 16.601 11.498 ( 4.095 1.256 10.672) 11.499 11.645 ( -8.746 8.154 6.693) 13.703 11.792 ( 3.074 8.848 4.700) 10.480 11.909 ( -7.081 9.331 6.298) 13.299 12.166 ( 8.693 1.568 2.085) 9.076 12.207 ( 5.201 0.398 4.021) 6.586 12.739 ( 5.072 -1.029 -3.953) 6.513 12.846 ( -4.646 -1.209 -1.344) 4.986 13.007 ( 12.508 -12.156 -1.122) 17.478 13.262 ( -4.431 -9.315 -4.578) 11.285 13.536 ( 0.874 -1.507 -3.265) 3.700 13.555 ( 0.783 4.763 -5.043) 6.981 13.718 ( 7.199 5.310 0.596) 8.965 13.940 ( 4.219 0.917 1.098) 4.455 14.062 ( -8.010 -0.889 -2.846) 8.547 14.248 ( -12.456 1.449 -2.470) 12.781 14.534 ( 2.825 -10.063 1.043) 10.504 14.628 ( -4.841 -7.899 2.348) 9.557 14.868 ( 2.219 -1.422 0.371) 2.661 14.917 ( -2.282 -1.356 4.533) 5.253 15.297 ( 7.480 -14.002 -5.217) 16.710 15.369 ( 2.364 -11.042 -4.381) 12.112 15.624 ( -2.868 -15.085 -2.202) 15.512 15.701 ( -6.931 -13.965 -4.280) 16.167 15.795 ( 3.416 -1.998 -7.310) 8.313 15.913 ( -6.013 -0.219 -3.261) 6.844 16.123 ( 1.015 2.540 -11.977) 12.285 16.136 ( -0.157 2.148 -11.312) 11.515 16.349 ( 16.014 -10.732 1.100) 19.309 16.536 ( 6.692 13.592 2.809) 15.409 16.602 ( -3.903 9.267 -0.376) 10.063 16.697 ( -10.350 -6.650 2.234) 12.503 17.503 ( 15.329 19.150 1.056) 24.552 17.761 ( -8.658 12.698 0.365) 15.373 18.177 ( 1.746 3.868 1.035) 4.368 18.241 ( -4.049 2.350 2.429) 5.274 18.753 ( 12.250 -2.285 -9.151) 15.460 18.957 ( -6.106 -1.451 -10.712) 12.415 19.176 ( 8.913 -2.611 1.994) 9.499 19.479 ( -18.674 -7.404 4.899) 20.677 22.150 ( 2.547 -4.637 -3.270) 6.219 22.213 ( -3.179 -5.083 -3.208) 6.800 22.441 ( 5.542 4.204 -4.382) 8.221 22.562 ( -5.618 2.988 -3.953) 7.491 23.675 ( 8.721 4.200 -12.255) 15.617 23.781 ( -0.571 3.271 -5.515) 6.438 24.020 ( 4.756 0.210 -1.389) 4.959 24.190 ( -9.975 -0.043 -1.730) 10.124 ======================= Grid point 65 (18/60) ======================= q-point: ( 0.29 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 20.836 20.836 21.320) 36.370 3.291 ( 21.119 21.119 51.519) 59.550 4.542 ( -18.900 -18.900 11.580) 29.130 4.549 ( -9.926 -9.926 -0.165) 14.039 4.734 ( -22.722 -22.722 6.695) 32.824 5.004 ( -21.910 -21.910 23.467) 38.869 5.408 ( 26.170 26.170 11.851) 38.861 5.659 ( -2.322 -2.322 19.593) 19.866 6.334 ( 17.013 17.013 26.248) 35.607 6.820 ( 1.567 1.567 20.609) 20.727 6.899 ( -0.711 -0.711 10.128) 10.178 7.538 ( 21.612 21.612 -3.835) 30.804 7.579 ( -17.258 -17.258 15.489) 28.907 7.879 ( -2.799 -2.799 -8.418) 9.302 7.965 ( 8.751 8.751 15.770) 20.046 8.278 ( 3.386 3.386 9.189) 10.361 8.377 ( -24.204 -24.204 4.447) 34.517 8.599 ( 1.341 1.341 21.735) 21.818 9.990 ( 3.566 3.566 -0.373) 5.056 10.220 ( 9.880 9.880 -19.094) 23.661 10.372 ( -14.299 -14.299 -2.248) 20.347 10.562 ( -3.934 -3.934 -13.158) 14.286 11.085 ( 5.200 5.200 10.768) 13.039 11.174 ( 10.580 10.580 7.658) 16.808 11.480 ( 7.668 7.668 0.015) 10.844 11.745 ( -2.537 -2.537 1.203) 3.784 11.853 ( 8.416 8.416 0.175) 11.903 11.969 ( 3.294 3.294 -1.626) 4.934 12.078 ( 7.545 7.545 3.511) 11.233 12.192 ( 1.076 1.076 7.577) 7.728 12.635 ( 1.010 1.010 0.398) 1.483 12.741 ( -1.678 -1.678 3.159) 3.951 12.913 ( 0.598 0.598 2.152) 2.312 13.002 ( 1.259 1.259 6.193) 6.444 13.549 ( -5.817 -5.817 -11.886) 14.456 13.621 ( 7.809 7.809 -7.769) 13.503 13.878 ( -4.779 -4.779 0.740) 6.798 13.886 ( 11.579 11.579 0.795) 16.395 14.216 ( -0.938 -0.938 -3.542) 3.782 14.295 ( -16.289 -16.289 0.982) 23.057 14.399 ( -6.629 -6.629 -1.660) 9.521 14.578 ( -3.556 -3.556 -2.240) 5.505 14.794 ( -8.258 -8.258 2.795) 12.008 14.818 ( -3.125 -3.125 0.184) 4.424 15.007 ( -1.781 -1.781 7.430) 7.846 15.249 ( -0.066 -0.066 -4.484) 4.485 15.506 ( -10.524 -10.524 -6.385) 16.196 15.569 ( -16.287 -16.287 -0.898) 23.051 15.745 ( 3.973 3.973 -8.416) 10.119 15.945 ( 0.922 0.922 0.380) 1.359 16.009 ( -2.079 -2.079 -2.053) 3.586 16.153 ( 2.513 2.513 -13.844) 14.293 16.171 ( 2.050 2.050 -12.520) 12.851 16.638 ( 10.343 10.343 3.047) 14.941 16.688 ( -9.236 -9.236 0.688) 13.080 16.790 ( 4.875 4.875 1.507) 7.057 17.560 ( 18.742 18.742 1.253) 26.535 17.985 ( 5.486 5.486 -1.306) 7.868 18.256 ( 2.178 2.178 2.619) 4.043 18.349 ( -0.962 -0.962 2.015) 2.432 18.525 ( 4.073 4.073 -6.226) 8.482 19.022 ( -4.119 -4.119 -15.385) 16.451 19.043 ( 2.595 2.595 2.048) 4.202 19.602 ( -15.532 -15.532 5.511) 22.647 22.064 ( -0.942 -0.942 -2.489) 2.823 22.188 ( -3.836 -3.836 -2.086) 5.812 22.426 ( 4.311 4.311 -4.620) 7.650 22.664 ( -2.007 -2.007 -3.203) 4.280 23.616 ( 9.068 9.068 -16.432) 20.843 23.810 ( 5.299 5.299 -4.447) 8.714 23.981 ( -0.590 -0.590 -0.653) 1.059 24.321 ( -5.894 -5.894 -2.698) 8.761 ======================= Grid point 66 (19/60) ======================= q-point: ( 0.43 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( 43.624 -11.743 15.381) 47.724 3.740 ( 11.070 3.633 37.749) 39.506 4.047 ( -26.017 -19.699 14.684) 35.785 4.255 ( -16.190 -25.762 14.297) 33.618 4.386 ( -3.284 -26.048 4.684) 26.669 4.529 ( -18.222 -12.526 25.321) 33.617 5.646 ( 2.504 -0.848 22.349) 22.505 5.671 ( 1.126 2.081 20.207) 20.345 6.751 ( 14.417 14.216 7.681) 21.655 6.878 ( 2.037 5.831 8.671) 10.646 7.002 ( 10.047 -0.821 20.876) 23.182 7.239 ( -13.017 -11.894 19.928) 26.609 7.714 ( -6.437 -15.901 -5.300) 17.955 7.738 ( -7.328 -12.809 -4.699) 15.487 8.103 ( 12.181 14.487 10.455) 21.623 8.264 ( -0.289 13.249 12.475) 18.200 8.383 ( 9.442 10.992 12.919) 19.414 8.585 ( -4.588 13.687 15.854) 21.441 10.030 ( 1.733 3.698 -1.882) 4.496 10.130 ( -7.649 1.685 0.392) 7.842 10.327 ( 1.431 2.679 -16.588) 16.864 10.406 ( -7.165 2.461 -13.802) 15.745 11.139 ( 5.516 24.947 3.929) 25.850 11.288 ( -6.146 21.491 -0.064) 22.353 11.574 ( 10.034 5.634 8.686) 14.418 11.743 ( -3.676 -0.558 6.308) 7.323 11.988 ( 3.082 6.841 0.436) 7.515 12.097 ( -6.428 5.644 5.021) 9.919 12.229 ( 14.870 6.952 0.044) 16.415 12.308 ( 7.674 11.416 2.752) 14.028 12.731 ( 5.132 -0.112 0.467) 5.154 12.774 ( 10.761 -9.457 -1.613) 14.417 12.871 ( -5.379 3.875 1.577) 6.814 13.061 ( -3.503 -8.444 0.313) 9.147 13.353 ( -3.200 -10.686 -4.546) 12.046 13.607 ( -15.931 -6.278 2.462) 17.300 13.829 ( 5.983 4.558 -3.817) 8.434 13.963 ( -7.094 2.874 -1.378) 7.777 14.089 ( 4.800 1.141 -1.581) 5.181 14.189 ( -4.097 -5.533 -2.907) 7.473 14.374 ( 4.503 -4.263 -0.486) 6.220 14.493 ( -5.140 -3.180 -1.323) 6.187 14.721 ( 1.319 -15.561 1.429) 15.682 14.772 ( -2.142 -11.488 2.006) 11.857 15.013 ( 3.159 -5.199 3.985) 7.273 15.177 ( -10.045 -9.805 -2.915) 14.337 15.303 ( -2.960 -13.440 -2.974) 14.080 15.339 ( -4.944 -11.368 -6.072) 13.804 15.856 ( 5.708 4.282 -6.053) 9.357 15.960 ( -3.561 2.081 -4.767) 6.304 16.073 ( 10.411 -9.066 0.437) 13.813 16.186 ( 0.104 1.724 -13.622) 13.731 16.211 ( 2.270 1.525 -11.482) 11.803 16.408 ( -14.633 -13.468 2.239) 20.014 16.811 ( 5.503 10.624 1.969) 12.125 16.863 ( 0.676 8.918 1.162) 9.019 17.898 ( 12.393 16.526 0.956) 20.679 18.053 ( -1.104 13.158 -0.009) 13.204 18.266 ( -0.125 3.925 1.647) 4.258 18.296 ( -2.663 2.299 2.447) 4.285 18.682 ( 9.573 -4.111 -8.542) 13.473 18.885 ( -8.447 -5.728 -12.439) 16.090 19.131 ( 5.629 -1.060 2.963) 6.449 19.305 ( -11.252 -7.524 5.438) 14.587 22.070 ( 1.355 -2.621 -1.856) 3.485 22.116 ( -2.843 -3.702 -1.692) 4.965 22.515 ( 4.092 2.735 -4.008) 6.348 22.600 ( -3.689 0.533 -3.398) 5.044 23.786 ( 6.353 5.621 -10.088) 13.180 23.874 ( -1.275 5.157 -6.627) 8.494 24.018 ( 5.686 -0.613 -4.039) 7.001 24.173 ( -7.648 -1.806 -5.522) 9.604 ======================= Grid point 73 (20/60) ======================= q-point: ( 0.43 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 14.159 14.159 15.178) 25.127 3.515 ( -22.361 -22.361 12.276) 33.922 3.692 ( -9.936 -9.936 12.201) 18.609 3.765 ( -15.378 -15.378 7.621) 23.044 4.204 ( 7.197 7.197 33.676) 35.180 4.379 ( -6.938 -6.938 36.812) 38.097 5.624 ( 0.158 0.158 22.949) 22.951 5.658 ( -2.294 -2.294 23.763) 23.983 6.797 ( 1.205 1.205 13.983) 14.087 6.887 ( -6.404 -6.404 13.367) 16.146 7.057 ( 5.390 5.390 9.154) 11.913 7.290 ( -12.824 -12.824 0.740) 18.151 7.299 ( 7.654 7.654 11.022) 15.448 7.509 ( -9.166 -9.166 1.706) 13.075 8.356 ( 6.745 6.745 14.783) 17.593 8.425 ( 0.417 0.417 15.765) 15.776 8.719 ( 16.222 16.222 7.605) 24.170 8.844 ( 5.620 5.620 7.805) 11.139 10.135 ( 6.018 6.018 -0.816) 8.549 10.201 ( 1.315 1.315 0.745) 2.003 10.317 ( -1.412 -1.412 -18.908) 19.013 10.346 ( -4.234 -4.234 -17.592) 18.584 11.511 ( 7.795 7.795 4.606) 11.947 11.619 ( -1.972 -1.972 3.969) 4.851 11.711 ( 11.828 11.828 5.915) 17.742 11.787 ( 8.451 8.451 9.373) 15.189 12.028 ( -0.069 -0.069 -3.863) 3.864 12.114 ( -4.229 -4.229 2.156) 6.357 12.541 ( 15.408 15.408 -1.398) 21.835 12.555 ( 7.515 7.515 3.755) 11.272 12.691 ( 3.743 3.743 -3.814) 6.525 12.703 ( -0.989 -0.989 1.464) 2.025 12.933 ( 0.813 0.813 3.474) 3.659 12.979 ( -2.063 -2.063 5.283) 6.035 13.090 ( -7.849 -7.849 -4.609) 12.020 13.327 ( -17.583 -17.583 3.331) 25.088 13.956 ( 6.947 6.947 -4.473) 10.795 14.001 ( 0.387 0.387 -6.055) 6.080 14.060 ( -1.470 -1.470 0.239) 2.093 14.125 ( -0.748 -0.748 1.118) 1.539 14.316 ( -3.043 -3.043 -3.212) 5.370 14.397 ( -11.500 -11.500 -1.238) 16.311 14.485 ( -2.012 -2.012 2.199) 3.597 14.516 ( -4.615 -4.615 0.573) 6.552 14.969 ( -0.390 -0.390 5.131) 5.161 15.007 ( -4.530 -4.530 3.978) 7.542 15.161 ( -2.401 -2.401 -7.800) 8.506 15.173 ( -3.949 -3.949 -7.824) 9.613 15.941 ( 2.973 2.973 -4.948) 6.493 15.944 ( -0.212 -0.212 0.185) 0.353 15.999 ( 0.112 0.112 -2.161) 2.167 16.088 ( -9.823 -9.823 0.610) 13.905 16.245 ( 1.031 1.031 -13.946) 14.022 16.255 ( -0.396 -0.396 -11.984) 11.997 16.972 ( 4.249 4.249 1.539) 6.203 16.989 ( 2.627 2.627 1.239) 3.916 18.184 ( 9.987 9.987 1.240) 14.177 18.271 ( 5.557 5.557 1.106) 7.937 18.316 ( -0.460 -0.460 2.222) 2.315 18.326 ( 0.932 0.932 2.376) 2.717 18.619 ( 0.158 0.158 -9.306) 9.309 18.726 ( -8.067 -8.067 -10.765) 15.686 19.135 ( 1.321 1.321 2.711) 3.292 19.187 ( -3.687 -3.687 3.746) 6.420 22.040 ( -0.221 -0.221 -1.052) 1.097 22.057 ( -1.797 -1.797 -0.975) 2.722 22.562 ( 1.738 1.738 -3.466) 4.249 22.592 ( -1.039 -1.039 -3.190) 3.512 23.897 ( 4.547 4.547 -6.903) 9.434 23.964 ( -0.200 -0.200 -3.213) 3.226 24.012 ( 3.175 3.175 -10.890) 11.779 24.109 ( -4.147 -4.147 -8.586) 10.398 ======================= Grid point 98 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 0.000 0.000 42.348) 42.348 1.853 ( 0.000 0.000 42.348) 42.348 3.905 ( 0.000 0.000 89.219) 89.219 4.760 ( 0.000 0.000 5.169) 5.169 4.760 ( -0.000 0.000 5.169) 5.169 5.510 ( 0.000 0.000 -3.434) 3.434 5.510 ( 0.000 0.000 -3.434) 3.434 6.492 ( 0.000 0.000 36.911) 36.911 6.911 ( 0.000 0.000 52.663) 52.663 7.068 ( -0.000 -0.000 -12.648) 12.648 7.068 ( 0.000 0.000 -12.648) 12.648 7.544 ( 0.000 0.000 65.074) 65.074 7.615 ( 0.000 0.000 19.001) 19.001 7.615 ( 0.000 0.000 19.001) 19.001 8.571 ( 0.000 0.000 17.925) 17.925 9.442 ( -0.000 -0.000 -5.465) 5.465 9.442 ( 0.000 0.000 -5.465) 5.465 9.655 ( 0.000 0.000 30.329) 30.329 9.669 ( 0.000 0.000 22.115) 22.115 10.582 ( 0.000 0.000 -19.299) 19.299 10.724 ( 0.000 0.000 -0.230) 0.230 10.724 ( -0.000 -0.000 -0.230) 0.230 11.037 ( 0.000 -0.000 6.722) 6.722 11.037 ( -0.000 -0.000 6.722) 6.722 11.650 ( 0.000 0.000 -8.524) 8.524 11.650 ( -0.000 0.000 -8.524) 8.524 11.776 ( 0.000 0.000 -0.640) 0.640 12.113 ( 0.000 0.000 -1.363) 1.363 12.420 ( -0.000 -0.000 10.272) 10.272 12.420 ( -0.000 -0.000 10.272) 10.272 12.595 ( 0.000 -0.000 8.664) 8.664 12.595 ( 0.000 0.000 8.664) 8.664 12.636 ( 0.000 0.000 20.897) 20.897 12.870 ( 0.000 0.000 -23.485) 23.485 12.975 ( -0.000 -0.000 10.875) 10.875 13.120 ( 0.000 0.000 2.413) 2.413 13.571 ( -0.000 0.000 1.237) 1.237 14.037 ( -0.000 0.000 -7.107) 7.107 14.037 ( -0.000 0.000 -7.107) 7.107 14.425 ( -0.000 -0.000 -7.600) 7.600 14.670 ( 0.000 0.000 -19.243) 19.243 14.747 ( 0.000 0.000 -10.266) 10.266 14.747 ( 0.000 0.000 -10.266) 10.266 15.067 ( 0.000 0.000 -7.975) 7.975 15.292 ( 0.000 0.000 -25.865) 25.865 15.459 ( 0.000 0.000 10.862) 10.862 15.459 ( 0.000 0.000 10.862) 10.862 15.616 ( 0.000 0.000 -21.203) 21.203 15.719 ( 0.000 0.000 5.727) 5.727 15.766 ( 0.000 0.000 -15.401) 15.401 16.053 ( 0.000 0.000 -6.112) 6.112 16.053 ( 0.000 0.000 -6.112) 6.112 16.216 ( -0.000 0.000 3.496) 3.496 16.375 ( -0.000 -0.000 2.855) 2.855 16.375 ( 0.000 0.000 2.855) 2.855 16.645 ( -0.000 0.000 -9.040) 9.040 16.707 ( 0.000 0.000 -4.382) 4.382 17.672 ( 0.000 0.000 -9.956) 9.956 18.065 ( 0.000 0.000 -0.609) 0.609 18.065 ( 0.000 0.000 -0.609) 0.609 18.544 ( 0.000 0.000 6.629) 6.629 18.544 ( -0.000 -0.000 6.629) 6.629 18.899 ( 0.000 0.000 -1.524) 1.524 20.453 ( -0.000 -0.000 -18.106) 18.106 22.015 ( 0.000 0.000 -7.049) 7.049 22.015 ( 0.000 0.000 -7.049) 7.049 22.283 ( 0.000 -0.000 -7.816) 7.816 22.283 ( 0.000 0.000 -7.816) 7.816 22.680 ( 0.000 0.000 -2.699) 2.699 23.462 ( 0.000 0.000 -1.923) 1.923 24.143 ( -0.000 -0.000 6.337) 6.337 25.032 ( -0.000 -0.000 -7.511) 7.511 ======================= Grid point 99 (22/60) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 40.338 0.000 32.476) 51.787 2.478 ( 49.028 0.000 31.275) 58.154 4.038 ( 12.828 0.000 83.714) 84.691 4.858 ( 8.663 0.000 5.136) 10.071 4.964 ( 17.682 0.000 5.911) 18.644 5.562 ( 4.601 0.000 -2.488) 5.231 5.671 ( 12.210 0.000 -4.250) 12.928 6.307 ( -14.956 0.000 36.766) 39.692 6.802 ( -6.284 0.000 34.419) 34.988 6.977 ( -9.750 0.000 -10.154) 14.077 7.231 ( 10.760 0.000 7.551) 13.145 7.556 ( 1.314 0.000 63.165) 63.178 7.651 ( 3.790 0.000 19.442) 19.808 7.723 ( 7.989 0.000 18.412) 20.070 8.552 ( -1.360 0.000 16.464) 16.520 9.186 ( -16.860 0.000 5.952) 17.880 9.250 ( -16.032 0.000 7.695) 17.783 9.665 ( 0.933 0.000 13.121) 13.154 9.769 ( 5.411 0.000 15.840) 16.739 10.186 ( -24.469 0.000 -9.885) 26.390 10.465 ( -22.138 0.000 1.125) 22.167 10.793 ( 1.576 0.000 0.327) 1.609 10.793 ( -19.568 0.000 9.657) 21.821 11.371 ( 20.587 0.000 -1.919) 20.676 11.442 ( -8.463 0.000 -4.814) 9.737 11.602 ( -1.227 0.000 -5.712) 5.842 11.917 ( -3.986 0.000 1.654) 4.316 12.165 ( 7.426 0.000 -4.956) 8.928 12.240 ( -15.188 0.000 9.920) 18.141 12.370 ( -3.839 0.000 7.817) 8.709 12.390 ( -6.332 0.000 14.433) 15.761 12.720 ( 11.572 0.000 1.707) 11.697 12.924 ( 13.202 0.000 11.980) 17.827 12.925 ( 4.154 0.000 -17.901) 18.377 13.101 ( -0.021 0.000 0.319) 0.320 13.125 ( 12.555 0.000 11.110) 16.765 13.572 ( 0.305 0.000 -0.249) 0.393 13.927 ( -10.164 0.000 -9.050) 13.610 14.242 ( 14.568 0.000 -8.138) 16.687 14.402 ( -0.727 0.000 -2.982) 3.070 14.523 ( -8.586 0.000 -17.913) 19.865 14.785 ( 1.834 0.000 -8.895) 9.082 14.867 ( 6.724 0.000 -11.890) 13.659 14.981 ( -7.132 0.000 -6.851) 9.889 15.293 ( 0.203 0.000 -25.435) 25.436 15.390 ( -6.284 0.000 9.088) 11.049 15.462 ( 0.615 0.000 6.811) 6.839 15.640 ( 1.541 0.000 -17.459) 17.527 15.697 ( -6.663 0.000 -15.608) 16.970 15.859 ( 10.547 0.000 3.635) 11.156 15.982 ( -2.742 0.000 -5.250) 5.922 16.039 ( 0.178 0.000 -4.469) 4.473 16.248 ( -4.370 0.000 5.463) 6.996 16.353 ( -2.075 0.000 2.078) 2.937 16.408 ( 12.360 0.000 5.858) 13.678 16.619 ( -0.317 0.000 -5.559) 5.568 16.769 ( 4.723 0.000 -3.544) 5.905 17.726 ( 4.389 0.000 -9.185) 10.180 18.065 ( 0.173 0.000 -0.495) 0.524 18.313 ( 10.525 0.000 -7.957) 13.194 18.510 ( -3.138 0.000 6.498) 7.216 18.587 ( 6.661 0.000 -0.674) 6.695 18.928 ( 2.750 0.000 -1.003) 2.927 20.349 ( -10.143 0.000 -13.683) 17.032 22.023 ( 0.750 0.000 -7.139) 7.178 22.046 ( 2.936 0.000 -6.822) 7.427 22.266 ( -1.539 0.000 -7.842) 7.992 22.437 ( 11.789 0.000 -13.718) 18.088 22.682 ( 1.608 0.000 -3.469) 3.823 23.511 ( 4.156 0.000 -2.672) 4.940 24.112 ( -2.873 0.000 5.104) 5.857 24.839 ( -15.636 0.000 -3.893) 16.113 ======================= Grid point 100 (23/60) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 51.564 0.000 20.511) 55.493 3.586 ( 49.088 0.000 27.445) 56.240 4.464 ( 27.067 0.000 64.632) 70.071 5.079 ( 10.064 0.000 5.656) 11.544 5.381 ( 14.210 0.000 11.593) 18.339 5.679 ( 5.509 0.000 -0.686) 5.551 5.816 ( -4.901 0.000 27.947) 28.374 6.071 ( 2.556 0.000 7.154) 7.597 6.604 ( -25.001 0.000 -3.275) 25.215 6.687 ( -4.346 0.000 27.084) 27.431 7.439 ( 7.178 0.000 20.784) 21.988 7.589 ( 1.196 0.000 55.384) 55.397 7.792 ( 9.471 0.000 19.276) 21.477 7.897 ( 8.365 0.000 17.256) 19.176 8.521 ( -2.650 0.000 18.297) 18.488 8.855 ( -11.466 0.000 1.359) 11.546 8.865 ( -18.705 0.000 15.095) 24.036 9.639 ( -24.372 0.000 -6.480) 25.219 9.693 ( -0.439 0.000 6.109) 6.125 9.896 ( 6.071 0.000 11.241) 12.776 9.929 ( -24.404 0.000 6.290) 25.202 10.373 ( -14.954 0.000 13.154) 19.916 10.714 ( -9.457 0.000 -2.344) 9.743 11.203 ( -16.221 0.000 -6.754) 17.571 11.602 ( 4.264 0.000 -1.616) 4.560 11.806 ( -2.621 0.000 7.459) 7.906 11.834 ( 14.676 0.000 2.339) 14.861 11.922 ( -9.071 0.000 8.085) 12.152 12.120 ( -7.575 0.000 6.930) 10.267 12.325 ( 0.363 0.000 13.174) 13.179 12.444 ( 6.987 0.000 -7.408) 10.183 12.859 ( -2.893 0.000 -11.968) 12.312 13.097 ( 13.482 0.000 1.226) 13.538 13.101 ( 3.836 0.000 3.703) 5.332 13.194 ( 8.400 0.000 -7.702) 11.396 13.475 ( 18.576 0.000 11.430) 21.811 13.588 ( 1.295 0.000 -5.777) 5.920 13.635 ( -15.980 0.000 -10.184) 18.949 14.262 ( -11.702 0.000 -14.083) 18.310 14.410 ( -0.391 0.000 3.097) 3.122 14.590 ( 12.518 0.000 -9.726) 15.852 14.726 ( -6.957 0.000 -5.316) 8.755 14.863 ( -2.447 0.000 -2.491) 3.492 15.006 ( 5.073 0.000 -10.263) 11.449 15.233 ( -5.821 0.000 4.958) 7.647 15.308 ( 1.499 0.000 -24.229) 24.275 15.487 ( 0.937 0.000 -3.903) 4.014 15.539 ( -5.548 0.000 -10.636) 11.996 15.706 ( 3.156 0.000 -17.819) 18.096 15.944 ( 0.050 0.000 -4.348) 4.348 15.953 ( -1.837 0.000 -7.538) 7.758 16.213 ( 1.412 0.000 6.518) 6.670 16.233 ( 10.792 0.000 1.671) 10.920 16.296 ( 0.844 0.000 2.672) 2.802 16.495 ( -3.168 0.000 0.207) 3.175 16.851 ( 1.712 0.000 -2.006) 2.637 16.855 ( 19.565 0.000 2.196) 19.688 17.785 ( -1.230 0.000 -4.668) 4.827 18.085 ( 1.997 0.000 0.196) 2.006 18.414 ( 4.513 0.000 -4.537) 6.399 18.415 ( -5.566 0.000 5.868) 8.087 18.745 ( 3.806 0.000 -12.381) 12.953 19.026 ( 6.885 0.000 -0.263) 6.890 20.028 ( -18.958 0.000 -6.266) 19.967 22.048 ( 1.704 0.000 -7.371) 7.566 22.138 ( 5.514 0.000 -6.035) 8.175 22.220 ( -2.670 0.000 -7.876) 8.316 22.527 ( -3.003 0.000 -5.658) 6.405 22.922 ( 18.642 0.000 -16.769) 25.074 23.610 ( 3.984 0.000 -4.451) 5.974 24.031 ( -4.118 0.000 1.690) 4.451 24.476 ( -16.632 0.000 -2.004) 16.753 ======================= Grid point 101 (24/60) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.429 ( 46.178 0.000 13.121) 48.006 4.453 ( 32.878 0.000 40.928) 52.499 4.969 ( -3.180 0.000 40.188) 40.314 5.123 ( -12.777 0.000 8.405) 15.294 5.357 ( 11.543 0.000 31.685) 33.722 5.758 ( -10.099 0.000 19.453) 21.918 5.783 ( 5.186 0.000 0.234) 5.191 6.033 ( -22.187 0.000 0.920) 22.206 6.304 ( 16.219 0.000 4.953) 16.958 6.584 ( -7.688 0.000 16.537) 18.237 7.521 ( 2.214 0.000 35.731) 35.800 7.580 ( -2.298 0.000 43.015) 43.077 8.042 ( 13.477 0.000 19.940) 24.068 8.121 ( 13.530 0.000 17.012) 21.736 8.339 ( -13.336 0.000 22.119) 25.828 8.470 ( -18.142 0.000 15.744) 24.021 8.833 ( 8.803 0.000 -4.882) 10.066 9.151 ( -19.959 0.000 -4.030) 20.361 9.551 ( -8.862 0.000 12.010) 14.925 9.563 ( -8.202 0.000 12.721) 15.136 10.101 ( 13.125 0.000 4.713) 13.946 10.365 ( 13.167 0.000 3.859) 13.721 10.426 ( -15.958 0.000 -0.892) 15.983 10.772 ( -22.055 0.000 -3.758) 22.373 11.662 ( 1.566 0.000 5.072) 5.309 11.717 ( -4.785 0.000 10.690) 11.712 11.833 ( 4.339 0.000 8.467) 9.514 11.960 ( -7.026 0.000 8.747) 11.220 12.209 ( 13.535 0.000 2.477) 13.760 12.358 ( -0.246 0.000 9.399) 9.402 12.589 ( 6.839 0.000 -10.426) 12.469 12.738 ( -6.900 0.000 -10.413) 12.491 13.148 ( 2.690 0.000 -3.914) 4.749 13.308 ( -12.763 0.000 -9.328) 15.808 13.309 ( 6.591 0.000 -2.402) 7.015 13.370 ( 2.923 0.000 -0.725) 3.011 13.684 ( 10.249 0.000 -14.800) 18.003 13.874 ( 18.329 0.000 8.284) 20.114 13.974 ( -14.603 0.000 -14.876) 20.846 14.239 ( -14.882 0.000 4.771) 15.628 14.702 ( 4.242 0.000 1.254) 4.424 14.801 ( -3.952 0.000 1.331) 4.170 14.817 ( 8.730 0.000 -4.633) 9.883 14.975 ( -6.144 0.000 -1.478) 6.320 15.273 ( 7.169 0.000 -9.697) 12.059 15.366 ( 3.911 0.000 -21.913) 22.260 15.423 ( -6.143 0.000 -12.481) 13.911 15.457 ( -3.740 0.000 -15.697) 16.136 15.786 ( 4.343 0.000 -12.215) 12.964 15.882 ( -4.357 0.000 -8.507) 9.558 16.003 ( 5.687 0.000 -1.084) 5.789 16.149 ( -6.989 0.000 -0.285) 6.995 16.290 ( 5.000 0.000 3.911) 6.348 16.401 ( -5.089 0.000 1.287) 5.249 16.587 ( 13.732 0.000 1.873) 13.859 16.806 ( -6.283 0.000 -0.269) 6.289 17.279 ( 18.944 0.000 2.811) 19.151 17.627 ( -12.845 0.000 0.950) 12.880 18.159 ( 4.919 0.000 2.002) 5.310 18.284 ( -6.392 0.000 4.296) 7.702 18.575 ( 9.023 0.000 -9.632) 13.198 18.729 ( -4.575 0.000 -11.779) 12.636 19.237 ( 13.313 0.000 0.230) 13.315 19.598 ( -19.814 0.000 -1.509) 19.871 22.095 ( 2.643 0.000 -7.641) 8.085 22.158 ( -3.067 0.000 -7.826) 8.405 22.273 ( 6.908 0.000 -4.830) 8.429 22.419 ( -6.381 0.000 -4.111) 7.590 23.317 ( 16.948 0.000 -15.814) 23.181 23.595 ( -7.432 0.000 -9.350) 11.944 24.003 ( 3.435 0.000 -1.043) 3.590 24.170 ( -11.474 0.000 -1.728) 11.603 ======================= Grid point 106 (25/60) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 13.387 13.387 38.772) 43.147 3.308 ( 45.806 45.806 22.488) 68.571 4.176 ( 13.158 13.158 73.327) 75.651 4.868 ( 4.843 4.843 10.393) 12.447 5.087 ( 5.099 5.099 0.079) 7.211 5.428 ( -1.487 -1.487 4.853) 5.289 5.932 ( 12.312 12.312 -4.315) 17.938 6.179 ( -10.346 -10.346 39.485) 42.109 6.735 ( -3.227 -3.227 24.254) 24.680 7.059 ( -0.695 -0.695 -8.714) 8.769 7.206 ( 2.643 2.643 19.352) 19.710 7.539 ( -0.386 -0.386 51.722) 51.725 7.670 ( 3.854 3.854 26.165) 26.726 7.866 ( 9.568 9.568 18.583) 22.988 8.492 ( -4.868 -4.868 15.412) 16.879 8.919 ( -16.451 -16.451 9.022) 24.953 9.349 ( -9.182 -9.182 30.714) 33.346 9.475 ( 3.552 3.552 -9.785) 10.999 9.677 ( -29.561 -29.561 -4.886) 42.089 9.922 ( 5.304 5.304 13.371) 15.331 10.599 ( -5.538 -5.538 -1.671) 8.009 10.681 ( -2.603 -2.603 4.755) 6.013 11.113 ( 5.756 5.756 4.283) 9.199 11.173 ( 0.174 0.174 -0.120) 0.274 11.512 ( -7.899 -7.899 -4.885) 12.193 11.537 ( 4.197 4.197 -4.981) 7.748 11.866 ( -8.768 -8.768 5.643) 13.624 11.918 ( -1.327 -1.327 1.845) 2.631 12.255 ( -6.068 -6.068 6.705) 10.890 12.312 ( 0.327 0.327 7.386) 7.401 12.626 ( 6.171 6.171 8.180) 11.961 12.720 ( 4.607 4.607 4.698) 8.033 12.853 ( 1.203 1.203 -10.089) 10.232 13.055 ( -1.026 -1.026 -0.749) 1.633 13.110 ( 9.258 9.258 3.296) 13.502 13.312 ( 13.191 13.191 5.358) 19.409 13.544 ( -2.363 -2.363 -2.160) 3.979 14.008 ( -4.841 -4.841 -9.148) 11.427 14.119 ( 2.718 2.718 -5.000) 6.306 14.460 ( -5.740 -5.740 -17.718) 19.489 14.494 ( 4.518 4.518 -3.431) 7.252 14.773 ( 0.216 0.216 -10.376) 10.380 14.874 ( -9.072 -9.072 -5.345) 13.898 14.937 ( 4.049 4.049 -9.370) 10.981 15.257 ( -4.163 -4.163 -15.933) 16.986 15.361 ( -0.488 -0.488 -1.445) 1.601 15.392 ( -5.331 -5.331 8.388) 11.278 15.660 ( 1.553 1.553 -19.136) 19.262 15.702 ( -2.723 -2.723 -16.014) 16.471 15.823 ( -4.837 -4.837 -2.122) 7.163 15.868 ( 3.174 3.174 5.524) 7.118 15.946 ( -5.470 -5.470 -7.128) 10.519 16.320 ( 0.130 0.130 2.239) 2.246 16.432 ( -3.425 -3.425 3.384) 5.909 16.487 ( 5.710 5.710 0.729) 8.108 16.722 ( 18.257 18.257 -0.046) 25.820 16.821 ( 3.635 3.635 -2.371) 5.661 17.757 ( 2.876 2.876 -8.239) 9.188 18.147 ( 3.757 3.757 -0.528) 5.340 18.368 ( 3.416 3.416 -5.616) 7.408 18.450 ( -3.154 -3.154 4.812) 6.561 18.655 ( 4.821 4.821 -6.122) 9.163 18.951 ( 2.223 2.223 -0.690) 3.219 20.229 ( -10.935 -10.935 -10.297) 18.579 22.003 ( -0.388 -0.388 -6.191) 6.216 22.102 ( 3.810 3.810 -7.440) 9.186 22.236 ( -2.063 -2.063 -6.560) 7.180 22.611 ( 13.304 13.304 -19.322) 26.969 22.662 ( -0.938 -0.938 -2.437) 2.775 23.550 ( 3.399 3.399 -3.481) 5.936 24.084 ( -2.520 -2.520 4.002) 5.358 24.694 ( -12.076 -12.076 -3.068) 17.351 ======================= Grid point 107 (26/60) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 44.445 -16.824 29.856) 56.123 4.161 ( 31.691 23.308 44.044) 59.055 4.595 ( 23.157 5.670 24.497) 34.184 5.049 ( 4.623 -3.645 9.246) 10.961 5.195 ( 14.431 -7.461 11.360) 19.824 5.370 ( -10.501 -13.906 10.796) 20.499 5.884 ( -13.832 1.066 38.445) 40.872 6.142 ( 2.405 -2.205 7.817) 8.471 6.680 ( -1.828 9.269 11.486) 14.872 6.946 ( -2.263 18.593 9.327) 20.924 7.380 ( 9.710 -4.784 18.732) 21.634 7.578 ( 4.148 -2.250 48.712) 48.940 7.757 ( 2.576 2.953 19.482) 19.872 8.098 ( 12.534 12.272 17.402) 24.709 8.364 ( -9.080 -10.813 20.166) 24.618 8.593 ( -10.186 -13.619 6.050) 18.051 9.011 ( -22.086 -12.499 10.900) 27.620 9.107 ( -17.314 -10.583 14.451) 24.912 9.695 ( 10.433 2.550 -7.928) 13.349 9.986 ( 1.344 5.201 10.349) 11.660 10.329 ( -14.866 11.710 1.679) 18.999 10.507 ( -14.295 1.311 2.920) 14.649 10.842 ( -13.945 19.402 2.831) 24.060 11.153 ( -13.713 1.595 0.611) 13.819 11.517 ( 7.945 -8.178 1.706) 11.528 11.763 ( 1.804 2.514 5.240) 6.086 11.823 ( 18.271 -2.232 -2.473) 18.572 12.025 ( 3.371 -2.968 5.007) 6.726 12.073 ( -4.539 2.620 4.607) 6.978 12.300 ( -3.391 1.413 8.529) 9.287 12.621 ( -0.186 10.038 3.240) 10.550 12.850 ( 0.946 -0.670 -7.119) 7.213 12.899 ( 2.314 -5.026 0.924) 5.609 13.118 ( 6.411 -4.038 -2.389) 7.944 13.329 ( 10.860 8.249 0.908) 13.668 13.464 ( -4.369 -6.569 -6.267) 10.075 13.613 ( 13.296 9.655 0.603) 16.443 13.766 ( -11.006 7.541 -6.353) 14.777 14.207 ( -6.979 -4.249 -8.258) 11.618 14.362 ( 3.001 -3.942 -7.810) 9.249 14.555 ( -4.731 -4.243 -3.003) 7.029 14.660 ( -2.766 -10.022 -5.317) 11.677 14.793 ( 0.584 -0.967 -4.986) 5.112 14.992 ( 0.771 -2.486 -6.464) 6.968 15.165 ( -2.863 -6.768 -10.338) 12.684 15.259 ( -5.313 -4.716 2.496) 7.530 15.426 ( 4.816 2.669 -9.707) 11.160 15.605 ( -3.878 -5.314 -10.251) 12.181 15.710 ( -3.611 -7.572 -9.613) 12.759 15.724 ( 0.668 0.184 -16.406) 16.421 15.883 ( -0.686 -4.521 -9.751) 10.770 16.039 ( 7.746 -10.075 4.520) 13.488 16.161 ( -6.238 -7.817 0.395) 10.009 16.483 ( 5.620 12.006 4.877) 14.125 16.597 ( 3.272 8.181 0.066) 8.812 16.859 ( -1.254 -0.407 0.079) 1.321 17.153 ( 19.793 20.832 1.413) 28.770 17.813 ( 1.146 3.203 -5.049) 6.089 18.186 ( 0.291 7.543 0.531) 7.567 18.393 ( -0.769 -0.532 0.043) 0.936 18.422 ( 1.584 -0.584 0.468) 1.752 18.741 ( 1.704 -0.582 -12.705) 12.832 19.032 ( 5.752 0.719 -0.073) 5.797 19.911 ( -17.813 -10.184 -4.737) 21.058 22.014 ( 1.389 -1.720 -5.502) 5.930 22.183 ( -2.188 -1.947 -6.026) 6.700 22.202 ( 4.809 3.753 -6.912) 9.219 22.585 ( -4.548 3.132 -3.989) 6.812 22.983 ( 18.419 6.421 -20.223) 28.097 23.632 ( 3.346 2.020 -5.488) 6.738 24.012 ( -3.694 -1.696 0.913) 4.166 24.399 ( -14.132 -6.742 -3.495) 16.043 ======================= Grid point 108 (27/60) ======================= q-point: ( 0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.870 ( 47.678 -26.089 21.585) 58.479 4.689 ( -0.746 -5.311 43.463) 43.792 4.836 ( -7.785 -8.116 26.922) 29.176 4.959 ( 8.501 -17.416 4.339) 19.859 5.143 ( -0.698 -33.835 6.519) 34.465 5.451 ( -24.389 -4.825 40.412) 47.447 5.701 ( 22.746 14.447 14.534) 30.616 6.048 ( -10.046 2.517 10.762) 14.935 6.772 ( 9.496 19.143 9.459) 23.369 6.939 ( -3.161 21.169 13.191) 25.143 7.577 ( 8.138 5.114 21.900) 23.916 7.671 ( 0.786 7.364 39.975) 40.655 7.803 ( 6.198 -10.727 17.397) 21.357 8.065 ( -15.754 -13.818 23.071) 31.168 8.398 ( 14.273 12.530 17.425) 25.775 8.536 ( 1.993 -14.406 7.455) 16.343 8.633 ( -10.092 -15.001 9.238) 20.304 8.785 ( -14.947 6.489 17.543) 23.944 9.822 ( 2.059 12.430 -2.197) 12.790 9.934 ( -8.306 12.908 3.310) 15.702 10.132 ( 1.695 4.379 4.717) 6.656 10.273 ( -8.280 -6.082 2.118) 10.490 10.654 ( 1.515 20.766 2.780) 21.006 10.860 ( -13.430 11.745 -1.997) 17.953 11.670 ( 6.428 0.848 5.875) 8.749 11.798 ( -3.492 6.652 7.942) 10.932 11.921 ( 2.387 6.147 7.013) 9.627 12.060 ( -5.439 8.047 7.818) 12.468 12.217 ( 12.056 1.564 2.646) 12.441 12.311 ( 4.451 -4.102 4.032) 7.273 12.642 ( 2.144 4.646 -3.715) 6.324 12.751 ( -6.928 1.804 -8.979) 11.484 12.998 ( 5.608 -9.661 0.256) 11.174 13.143 ( -6.388 -7.780 -5.722) 11.579 13.410 ( 2.975 0.489 -7.157) 7.766 13.496 ( -1.141 8.070 -1.536) 8.294 13.672 ( 8.047 0.300 -8.088) 11.413 13.899 ( 5.706 0.451 -7.077) 9.102 13.967 ( -5.400 1.093 -3.274) 6.409 14.234 ( -14.403 -1.697 0.843) 14.528 14.547 ( 6.519 -10.716 -0.112) 12.543 14.664 ( -3.197 -10.221 -0.487) 10.721 14.856 ( 5.760 0.100 -2.314) 6.208 14.967 ( -3.498 -3.794 -3.892) 6.464 15.148 ( 0.950 -7.466 -11.651) 13.871 15.182 ( -2.096 -9.872 -9.461) 13.833 15.478 ( 0.255 -2.121 -13.514) 13.682 15.535 ( -4.390 -2.361 -12.355) 13.323 15.689 ( 6.792 -11.089 -0.788) 13.028 15.796 ( 3.340 -0.749 -15.387) 15.764 15.854 ( -2.229 -4.332 -11.988) 12.940 15.888 ( -10.251 -9.700 -0.847) 14.138 16.389 ( 14.512 -7.450 2.671) 16.530 16.596 ( -0.662 9.655 0.923) 9.721 16.615 ( 2.671 9.525 3.183) 10.392 16.751 ( -7.815 -2.273 2.993) 8.672 17.526 ( 14.573 18.121 0.822) 23.268 17.758 ( -6.866 10.984 -1.081) 12.998 18.211 ( 3.112 4.343 2.218) 5.785 18.309 ( -5.262 2.177 3.979) 6.947 18.557 ( 8.293 -1.664 -9.054) 12.390 18.706 ( -4.751 -2.300 -11.874) 12.994 19.210 ( 11.321 -2.121 0.353) 11.523 19.522 ( -17.419 -6.524 -0.963) 18.626 22.059 ( 2.630 -2.340 -5.321) 6.380 22.121 ( -3.070 -2.565 -5.506) 6.806 22.329 ( 6.463 3.966 -5.797) 9.545 22.467 ( -6.261 3.322 -4.441) 8.364 23.357 ( 15.815 3.739 -16.997) 23.516 23.615 ( -6.887 1.896 -10.384) 12.604 23.986 ( 2.909 -1.649 -2.061) 3.928 24.133 ( -10.160 -3.398 -3.445) 11.253 ======================= Grid point 114 (28/60) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 16.825 16.825 31.438) 39.427 4.480 ( -3.082 -3.082 31.076) 31.380 4.603 ( 12.844 12.844 32.023) 36.816 4.661 ( -17.772 -17.772 2.970) 25.308 4.971 ( -24.365 -24.365 14.214) 37.274 5.646 ( 26.147 26.147 12.564) 39.053 5.783 ( -11.468 -11.468 46.959) 49.681 6.073 ( -1.518 -1.518 13.376) 13.547 6.831 ( 5.052 5.052 13.585) 15.349 7.242 ( -0.487 -0.487 26.914) 26.922 7.438 ( 16.829 16.829 -5.608) 24.452 7.538 ( -1.098 -1.098 33.746) 33.782 7.785 ( -1.290 -1.290 24.273) 24.342 8.125 ( -11.342 -11.342 27.587) 31.912 8.337 ( 4.457 4.457 16.267) 17.446 8.496 ( -10.479 -10.479 6.788) 16.300 8.499 ( 4.258 4.258 10.632) 12.219 9.161 ( -0.840 -0.840 31.963) 31.985 9.791 ( 5.791 5.791 -21.248) 22.772 10.053 ( 0.999 0.999 8.534) 8.650 10.325 ( -7.805 -7.805 -6.674) 12.899 10.399 ( -8.099 -8.099 6.992) 13.419 11.241 ( 5.781 5.781 4.566) 9.364 11.335 ( 6.800 6.800 6.005) 11.337 11.500 ( 10.547 10.547 3.013) 15.217 11.707 ( 2.106 2.106 -5.202) 5.994 11.893 ( 8.077 8.077 4.283) 12.200 11.968 ( -0.601 -0.601 1.487) 1.712 12.154 ( 6.868 6.868 3.342) 10.272 12.379 ( 1.762 1.762 9.812) 10.124 12.692 ( -1.833 -1.833 4.658) 5.330 12.832 ( -0.495 -0.495 5.292) 5.338 12.895 ( 1.043 1.043 -7.317) 7.464 13.099 ( 2.301 2.301 3.299) 4.634 13.293 ( -8.124 -8.124 -11.828) 16.489 13.503 ( 8.485 8.485 -1.866) 12.144 13.836 ( 9.550 9.550 -6.050) 14.800 13.845 ( -2.606 -2.606 -3.686) 5.212 14.132 ( -2.913 -2.913 -6.375) 7.591 14.285 ( -1.310 -1.310 -7.854) 8.070 14.291 ( -17.344 -17.344 -1.619) 24.581 14.496 ( -3.912 -3.912 -7.017) 8.936 14.798 ( -0.114 -0.114 -2.130) 2.136 14.855 ( -8.411 -8.411 0.403) 11.902 15.058 ( -2.740 -2.740 -15.493) 15.970 15.182 ( -3.034 -3.034 8.222) 9.274 15.347 ( -11.511 -11.511 -8.626) 18.423 15.526 ( -13.201 -13.201 -2.851) 18.886 15.544 ( 6.924 6.924 -8.844) 13.195 15.756 ( 2.219 2.219 -23.348) 23.558 15.842 ( 0.376 0.376 -16.503) 16.511 15.936 ( -2.318 -2.318 -0.999) 3.427 16.027 ( -0.990 -0.990 4.507) 4.719 16.698 ( -4.184 -4.184 0.087) 5.918 16.713 ( 9.218 9.218 3.817) 13.583 16.837 ( 2.054 2.054 2.986) 4.165 17.588 ( 18.497 18.497 0.979) 26.177 17.922 ( 6.252 6.252 -5.427) 10.374 18.322 ( 2.965 2.965 2.387) 4.824 18.398 ( -0.373 -0.373 1.911) 1.982 18.402 ( 1.412 1.412 -3.337) 3.888 18.710 ( -2.557 -2.557 -13.111) 13.601 19.068 ( 2.956 2.956 0.164) 4.184 19.641 ( -13.965 -13.965 -1.972) 19.848 21.998 ( 0.242 0.242 -3.605) 3.621 22.128 ( -2.694 -2.694 -3.575) 5.225 22.301 ( 4.959 4.959 -6.998) 9.907 22.596 ( -2.041 -2.041 -2.469) 3.799 23.198 ( 12.601 12.601 -22.188) 28.458 23.684 ( 2.254 2.254 -8.165) 8.766 23.962 ( -2.791 -2.791 -1.216) 4.130 24.219 ( -9.294 -9.294 -6.522) 14.673 ======================= Grid point 115 (29/60) ======================= q-point: ( 0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.461 ( 36.666 -10.160 24.550) 45.281 4.241 ( -28.579 -24.253 14.348) 40.135 4.400 ( -6.361 -28.677 6.090) 29.998 4.419 ( -11.778 -26.976 9.460) 30.918 4.999 ( 20.286 9.473 56.172) 60.470 5.434 ( -19.632 0.388 53.142) 56.654 6.015 ( 8.277 9.112 9.829) 15.752 6.080 ( 0.600 1.363 13.872) 13.952 6.977 ( 9.173 2.595 10.955) 14.522 7.169 ( -6.792 1.444 15.474) 16.960 7.536 ( 1.930 -12.447 15.775) 20.186 7.605 ( -2.329 -12.354 -0.317) 12.575 7.791 ( 2.387 2.822 36.966) 37.151 7.895 ( -8.221 -0.936 34.028) 35.019 8.370 ( 10.306 7.394 12.761) 17.993 8.540 ( -2.390 12.818 12.269) 17.904 8.736 ( 15.617 13.110 18.066) 27.242 9.034 ( -10.710 10.568 25.092) 29.258 9.920 ( 6.360 -2.276 -16.732) 18.044 10.061 ( -1.934 2.907 1.715) 3.890 10.134 ( -4.985 -4.808 -3.886) 7.942 10.227 ( -7.783 3.019 8.886) 12.192 11.204 ( 0.986 26.616 2.132) 26.720 11.319 ( -8.728 26.334 1.904) 27.808 11.705 ( 12.708 2.300 3.624) 13.413 11.885 ( -2.924 -0.414 6.159) 6.831 12.006 ( 9.602 0.217 1.665) 9.748 12.204 ( 11.497 -0.939 0.787) 11.562 12.263 ( -3.651 10.794 7.543) 13.665 12.368 ( 6.397 11.223 2.633) 13.184 12.728 ( 4.541 -0.581 1.474) 4.809 12.809 ( 1.822 -3.893 1.776) 4.651 12.852 ( -5.855 5.297 -4.075) 8.885 13.005 ( -12.458 -3.713 -4.025) 13.609 13.309 ( 11.859 -9.648 -0.826) 15.310 13.625 ( -9.391 2.087 -0.210) 9.622 13.711 ( 1.860 1.787 -8.070) 8.472 13.863 ( -9.873 -3.228 -8.966) 13.722 14.034 ( 4.196 3.036 -3.817) 6.434 14.112 ( -3.010 -6.626 -5.206) 8.949 14.361 ( 5.416 -6.739 -0.845) 8.687 14.443 ( -2.054 -7.958 -4.385) 9.316 14.720 ( -1.524 -13.266 -3.633) 13.839 14.777 ( -3.349 -11.060 -2.745) 11.877 15.013 ( -0.666 -4.019 -11.932) 12.608 15.077 ( -6.107 -3.099 -1.776) 7.075 15.216 ( -0.670 -12.099 -1.570) 12.219 15.282 ( -7.456 -14.151 0.331) 15.998 15.700 ( 6.894 4.830 -9.940) 13.025 15.787 ( -0.128 2.145 -21.100) 21.209 15.840 ( -0.315 1.683 -15.550) 15.644 15.865 ( -3.358 0.820 -5.982) 6.909 16.171 ( 12.175 -9.957 4.641) 16.399 16.469 ( -14.101 -12.625 3.597) 19.266 16.861 ( 4.430 9.990 2.686) 11.253 16.896 ( 1.133 8.572 1.921) 8.857 17.909 ( 10.992 16.276 -0.590) 19.649 18.022 ( 1.034 12.299 -3.976) 12.967 18.314 ( -0.067 4.707 2.845) 5.500 18.362 ( -2.946 2.333 3.641) 5.232 18.504 ( 6.001 -3.227 -7.167) 9.889 18.627 ( -5.106 -5.125 -11.405) 13.506 19.169 ( 6.663 -1.310 0.294) 6.797 19.361 ( -11.417 -7.523 -0.095) 13.673 22.022 ( 1.856 -0.952 -2.521) 3.272 22.071 ( -2.586 -2.001 -2.510) 4.122 22.411 ( 5.249 3.455 -5.601) 8.418 22.519 ( -4.686 1.128 -3.700) 6.076 23.472 ( 12.110 6.688 -18.823) 23.360 23.671 ( -5.222 3.077 -13.047) 14.386 23.934 ( 1.703 -3.075 -4.172) 5.455 24.036 ( -7.184 -5.326 -6.909) 11.301 ======================= Grid point 122 (30/60) ======================= q-point: ( 0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( 11.201 11.201 22.743) 27.716 3.863 ( -13.464 -13.464 6.392) 20.086 3.877 ( -18.669 -18.669 21.646) 34.141 3.925 ( -13.653 -13.653 9.153) 21.368 5.221 ( 10.317 10.317 57.962) 59.770 5.394 ( -5.035 -5.035 56.557) 57.003 6.082 ( 1.693 1.693 14.867) 15.058 6.118 ( -0.516 -0.516 14.403) 14.421 7.022 ( 4.313 4.313 8.843) 10.742 7.148 ( -3.078 -3.078 13.257) 13.954 7.293 ( -10.107 -10.107 -0.500) 14.303 7.309 ( -7.551 -7.551 9.830) 14.515 7.842 ( 1.837 1.837 40.420) 40.504 7.870 ( -1.092 -1.092 40.188) 40.218 8.676 ( 12.772 12.772 12.345) 21.878 8.778 ( 4.071 4.071 13.931) 15.074 9.019 ( 13.432 13.432 20.779) 28.153 9.177 ( 0.929 0.929 26.758) 26.791 9.842 ( -1.718 -1.718 -25.341) 25.457 9.932 ( -8.918 -8.918 -18.494) 22.385 10.205 ( 6.866 6.866 9.364) 13.490 10.291 ( 0.161 0.161 9.794) 9.797 11.587 ( 7.401 7.401 2.174) 10.690 11.696 ( -1.191 -1.191 2.755) 3.229 11.774 ( 9.193 9.193 -1.557) 13.093 11.920 ( -1.784 -1.784 -6.087) 6.589 12.013 ( 13.029 13.029 12.100) 22.043 12.238 ( -1.599 -1.599 8.908) 9.190 12.520 ( 11.208 11.208 0.743) 15.868 12.617 ( -1.035 -1.035 -0.002) 1.464 12.647 ( 10.749 10.749 1.365) 15.262 12.758 ( -5.040 -5.040 3.804) 8.079 12.967 ( 2.503 2.503 -1.449) 3.825 13.006 ( 0.443 0.443 -2.990) 3.055 13.071 ( -4.102 -4.102 2.941) 6.503 13.381 ( -20.625 -20.625 1.730) 29.219 13.778 ( 3.458 3.458 -11.753) 12.729 13.824 ( -1.021 -1.021 -10.837) 10.933 14.054 ( 3.549 3.549 -4.686) 6.866 14.117 ( 0.445 0.445 -3.569) 3.624 14.259 ( 0.087 0.087 -0.950) 0.958 14.350 ( -4.185 -4.185 -4.892) 7.678 14.488 ( -6.675 -6.675 -3.483) 10.062 14.499 ( -10.407 -10.407 -1.868) 14.836 14.943 ( -2.067 -2.067 -12.179) 12.525 14.967 ( -4.610 -4.610 -10.970) 12.762 15.105 ( -0.809 -0.809 7.198) 7.288 15.117 ( -2.379 -2.379 6.463) 7.286 15.801 ( 4.191 4.191 -13.964) 15.170 15.838 ( 1.488 1.488 -20.682) 20.789 15.867 ( 0.257 0.257 -15.526) 15.530 15.870 ( -0.583 -0.583 -4.736) 4.808 16.046 ( 0.283 0.283 5.162) 5.178 16.194 ( -11.606 -11.606 4.272) 16.960 17.011 ( 3.796 3.796 2.043) 5.744 17.021 ( 2.806 2.806 1.697) 4.316 18.189 ( 9.575 9.575 -2.753) 13.819 18.242 ( 6.964 6.964 -7.449) 12.349 18.379 ( -0.309 -0.309 3.659) 3.685 18.392 ( 0.811 0.811 3.774) 3.944 18.440 ( -1.219 -1.219 -4.005) 4.360 18.498 ( -6.194 -6.194 -8.823) 12.433 19.167 ( 1.317 1.317 -0.003) 1.863 19.229 ( -4.574 -4.574 0.048) 6.468 22.017 ( 0.423 0.423 -0.869) 1.055 22.036 ( -1.274 -1.274 -0.844) 1.989 22.474 ( 2.488 2.488 -4.514) 5.723 22.515 ( -1.273 -1.273 -3.580) 4.007 23.623 ( 6.883 6.883 -19.069) 21.410 23.717 ( -0.378 -0.378 -17.650) 17.658 23.874 ( -1.115 -1.115 -5.249) 5.480 23.924 ( -4.626 -4.626 -7.937) 10.286 ======================= Grid point 147 (31/60) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 0.000 0.000 37.391) 37.391 2.683 ( 0.000 0.000 37.391) 37.391 4.838 ( 0.000 0.000 0.383) 0.383 4.838 ( -0.000 -0.000 0.383) 0.383 5.455 ( 0.000 0.000 0.088) 0.088 5.455 ( 0.000 0.000 0.088) 0.088 5.646 ( -0.000 0.000 77.877) 77.877 6.753 ( 0.000 0.000 -17.143) 17.143 6.753 ( 0.000 0.000 -17.143) 17.143 7.253 ( -0.000 0.000 34.217) 34.217 7.976 ( 0.000 0.000 14.171) 14.171 7.976 ( 0.000 0.000 14.171) 14.171 8.115 ( 0.000 0.000 61.402) 61.402 8.896 ( 0.000 0.000 14.042) 14.042 8.989 ( 0.000 0.000 72.524) 72.524 9.314 ( 0.000 0.000 -6.413) 6.413 9.314 ( 0.000 0.000 -6.413) 6.413 10.106 ( 0.000 0.000 18.526) 18.526 10.188 ( -0.000 0.000 -18.614) 18.614 10.478 ( 0.000 0.000 47.225) 47.225 10.780 ( 0.000 0.000 4.576) 4.576 10.780 ( 0.000 0.000 4.576) 4.576 11.259 ( 0.000 -0.000 14.817) 14.817 11.259 ( -0.000 -0.000 14.817) 14.817 11.517 ( 0.000 0.000 -2.739) 2.739 11.517 ( 0.000 0.000 -2.739) 2.739 11.672 ( -0.000 -0.000 -10.795) 10.795 12.199 ( 0.000 0.000 11.230) 11.230 12.257 ( 0.000 0.000 -34.686) 34.686 12.598 ( 0.000 0.000 6.297) 6.297 12.598 ( 0.000 0.000 6.297) 6.297 12.772 ( 0.000 0.000 8.046) 8.046 12.772 ( 0.000 0.000 8.046) 8.046 13.044 ( 0.000 0.000 17.421) 17.421 13.180 ( 0.000 0.000 2.093) 2.093 13.252 ( 0.000 0.000 15.857) 15.857 13.597 ( 0.000 0.000 1.538) 1.538 13.870 ( 0.000 -0.000 -9.322) 9.322 13.870 ( -0.000 -0.000 -9.322) 9.322 14.114 ( 0.000 0.000 -34.579) 34.579 14.241 ( 0.000 0.000 -10.040) 10.040 14.429 ( 0.000 0.000 -19.319) 19.319 14.429 ( 0.000 0.000 -19.319) 19.319 14.653 ( 0.000 0.000 -34.990) 34.990 14.847 ( -0.000 0.000 -13.048) 13.048 15.028 ( 0.000 -0.000 -32.594) 32.594 15.553 ( 0.000 0.000 -6.173) 6.173 15.681 ( 0.000 0.000 8.810) 8.810 15.681 ( 0.000 0.000 8.810) 8.810 15.867 ( 0.000 0.000 8.293) 8.293 15.975 ( 0.000 0.000 -0.339) 0.339 15.975 ( 0.000 0.000 -0.339) 0.339 16.207 ( 0.000 0.000 -7.934) 7.934 16.428 ( 0.000 -0.000 2.060) 2.060 16.428 ( 0.000 0.000 2.060) 2.060 16.530 ( -0.000 0.000 1.775) 1.775 16.592 ( 0.000 0.000 -6.675) 6.675 17.454 ( -0.000 0.000 -11.015) 11.015 18.056 ( 0.000 0.000 -0.273) 0.273 18.056 ( -0.000 -0.000 -0.273) 0.273 18.691 ( 0.000 0.000 7.179) 7.179 18.691 ( 0.000 -0.000 7.179) 7.179 18.863 ( 0.000 0.000 -1.015) 1.015 20.026 ( 0.000 0.000 -22.429) 22.429 21.869 ( 0.000 0.000 -6.409) 6.409 21.869 ( 0.000 0.000 -6.409) 6.409 22.099 ( 0.000 0.000 -9.508) 9.508 22.099 ( -0.000 0.000 -9.508) 9.508 22.682 ( 0.000 0.000 3.200) 3.200 23.385 ( 0.000 0.000 -5.717) 5.717 24.277 ( 0.000 0.000 6.463) 6.463 24.865 ( 0.000 0.000 -8.315) 8.315 ======================= Grid point 148 (32/60) ======================= q-point: ( 0.14 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 29.498 0.000 32.272) 43.722 3.134 ( 37.906 0.000 31.119) 49.043 4.939 ( 9.007 0.000 0.799) 9.042 5.034 ( 17.417 0.000 1.359) 17.470 5.523 ( 5.830 0.000 0.333) 5.840 5.579 ( 9.971 0.000 2.877) 10.378 5.729 ( 8.317 0.000 70.574) 71.063 6.720 ( -4.063 0.000 -14.249) 14.817 6.791 ( 2.117 0.000 -11.945) 12.131 7.108 ( -11.355 0.000 34.816) 36.621 8.009 ( 3.163 0.000 13.656) 14.017 8.013 ( 3.019 0.000 21.179) 21.393 8.188 ( 5.932 0.000 48.962) 49.320 8.826 ( -6.070 0.000 11.063) 12.618 8.975 ( -1.486 0.000 70.651) 70.666 9.193 ( -10.503 0.000 -3.828) 11.179 9.229 ( -7.431 0.000 -3.421) 8.181 9.923 ( -18.752 0.000 -12.354) 22.456 10.062 ( -3.948 0.000 19.156) 19.559 10.410 ( -3.336 0.000 38.226) 38.371 10.547 ( -18.801 0.000 5.756) 19.663 10.934 ( 3.973 0.000 13.571) 14.141 11.056 ( -15.605 0.000 14.085) 21.021 11.396 ( -6.649 0.000 3.653) 7.586 11.396 ( 10.450 0.000 3.460) 11.008 11.532 ( 5.869 0.000 1.679) 6.104 11.884 ( 9.242 0.000 -8.532) 12.578 12.131 ( -4.487 0.000 2.869) 5.326 12.316 ( 5.394 0.000 -28.903) 29.402 12.421 ( -13.790 0.000 7.295) 15.601 12.540 ( -4.807 0.000 7.781) 9.146 12.662 ( -5.701 0.000 10.971) 12.364 12.833 ( 5.712 0.000 1.425) 5.887 13.148 ( -1.964 0.000 1.940) 2.760 13.169 ( 5.651 0.000 11.549) 12.858 13.403 ( 12.660 0.000 14.910) 19.560 13.575 ( -1.893 0.000 0.764) 2.041 13.731 ( -11.484 0.000 -9.981) 15.215 14.004 ( -2.774 0.000 -28.909) 29.042 14.079 ( 10.123 0.000 -12.200) 15.853 14.309 ( 5.456 0.000 -5.661) 7.862 14.470 ( 3.015 0.000 -20.507) 20.728 14.494 ( 4.986 0.000 -22.635) 23.178 14.660 ( 0.803 0.000 -34.488) 34.498 14.794 ( -4.282 0.000 -11.341) 12.123 15.039 ( 0.802 0.000 -31.097) 31.107 15.496 ( -5.059 0.000 -6.063) 7.897 15.616 ( -5.459 0.000 6.833) 8.746 15.628 ( -4.388 0.000 8.183) 9.286 15.882 ( -0.735 0.000 -1.245) 1.446 15.915 ( -2.453 0.000 -0.473) 2.498 16.064 ( 9.606 0.000 6.538) 11.620 16.301 ( 1.956 0.000 -1.671) 2.572 16.389 ( -2.982 0.000 1.315) 3.259 16.484 ( 4.750 0.000 -4.442) 6.503 16.561 ( 7.759 0.000 8.059) 11.186 16.680 ( 6.496 0.000 -4.958) 8.172 17.516 ( 5.422 0.000 -10.922) 12.194 18.059 ( 0.520 0.000 -0.108) 0.531 18.180 ( 8.514 0.000 -4.450) 9.607 18.654 ( -3.437 0.000 7.052) 7.845 18.657 ( -2.534 0.000 5.180) 5.766 18.905 ( 3.664 0.000 -0.299) 3.676 19.990 ( -4.187 0.000 -19.957) 20.391 21.874 ( 0.470 0.000 -6.620) 6.637 21.907 ( 3.516 0.000 -6.099) 7.040 22.083 ( -1.497 0.000 -9.436) 9.554 22.179 ( 7.593 0.000 -11.446) 13.736 22.678 ( -0.214 0.000 3.149) 3.156 23.417 ( 2.812 0.000 -6.483) 7.067 24.219 ( -5.346 0.000 5.181) 7.444 24.719 ( -12.539 0.000 -6.791) 14.260 ======================= Grid point 149 (33/60) ======================= q-point: ( 0.29 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( 42.717 0.000 23.362) 48.688 4.086 ( 47.176 0.000 22.736) 52.369 5.182 ( 12.235 0.000 2.822) 12.557 5.500 ( 22.837 0.000 9.881) 24.883 5.662 ( 5.959 0.000 -0.010) 5.959 5.799 ( 10.440 0.000 8.559) 13.500 5.986 ( 12.712 0.000 47.995) 49.650 6.511 ( -16.905 0.000 -5.647) 17.823 6.710 ( -10.259 0.000 25.869) 27.829 6.922 ( -4.732 0.000 11.505) 12.440 8.087 ( 3.377 0.000 16.946) 17.280 8.119 ( 7.466 0.000 10.452) 12.844 8.330 ( 6.981 0.000 37.828) 38.466 8.702 ( -3.227 0.000 3.190) 4.538 8.902 ( -6.425 0.000 54.708) 55.084 8.925 ( -13.455 0.000 1.235) 13.512 9.043 ( -8.327 0.000 18.900) 20.653 9.499 ( -20.586 0.000 -6.361) 21.546 9.935 ( -8.238 0.000 12.114) 14.650 10.149 ( -15.059 0.000 13.967) 20.539 10.362 ( -0.475 0.000 32.107) 32.111 10.711 ( -13.821 0.000 18.732) 23.278 10.857 ( -9.183 0.000 16.632) 18.999 11.185 ( -13.810 0.000 8.362) 16.144 11.585 ( 9.313 0.000 0.124) 9.314 11.844 ( 17.814 0.000 1.725) 17.897 11.954 ( 0.534 0.000 5.107) 5.135 12.126 ( 2.561 0.000 -6.521) 7.006 12.129 ( -11.751 0.000 9.712) 15.245 12.357 ( -3.453 0.000 -12.889) 13.343 12.495 ( 1.396 0.000 -6.895) 7.034 12.589 ( -0.786 0.000 11.574) 11.601 13.008 ( 10.451 0.000 -10.113) 14.543 13.142 ( 2.492 0.000 -0.353) 2.517 13.198 ( -3.018 0.000 5.247) 6.053 13.428 ( -15.791 0.000 -9.652) 18.507 13.512 ( -4.093 0.000 -1.224) 4.272 13.713 ( 15.100 0.000 10.814) 18.573 13.829 ( -10.300 0.000 -26.843) 28.751 14.378 ( 12.814 0.000 -13.826) 18.851 14.401 ( -1.027 0.000 -8.126) 8.191 14.550 ( 6.222 0.000 -10.414) 12.131 14.609 ( 5.169 0.000 -25.699) 26.214 14.699 ( 1.165 0.000 -17.824) 17.862 14.719 ( 0.929 0.000 -23.276) 23.294 15.050 ( 0.188 0.000 -22.982) 22.983 15.345 ( -8.082 0.000 -3.206) 8.694 15.483 ( -9.459 0.000 3.151) 9.970 15.550 ( 0.707 0.000 1.036) 1.254 15.872 ( -2.647 0.000 -0.787) 2.762 15.889 ( 2.399 0.000 -1.298) 2.728 16.253 ( -0.598 0.000 0.299) 0.669 16.320 ( 1.350 0.000 3.520) 3.770 16.376 ( 8.958 0.000 4.778) 10.153 16.479 ( -1.863 0.000 -1.448) 2.360 16.801 ( 3.595 0.000 -2.678) 4.483 16.925 ( 20.334 0.000 4.704) 20.871 17.643 ( 4.683 0.000 -8.799) 9.968 18.095 ( 3.334 0.000 0.772) 3.422 18.309 ( 3.425 0.000 -5.685) 6.637 18.547 ( -6.555 0.000 6.480) 9.217 18.603 ( -2.565 0.000 -1.535) 2.989 19.018 ( 7.111 0.000 0.016) 7.111 19.817 ( -12.071 0.000 -13.292) 17.955 21.892 ( 1.238 0.000 -7.196) 7.301 22.020 ( 7.001 0.000 -4.857) 8.521 22.039 ( -2.511 0.000 -9.180) 9.517 22.369 ( 6.294 0.000 -10.323) 12.090 22.718 ( 6.846 0.000 -2.142) 7.173 23.479 ( 1.564 0.000 -8.135) 8.284 24.061 ( -8.409 0.000 1.236) 8.499 24.406 ( -14.980 0.000 -4.007) 15.507 ======================= Grid point 150 (34/60) ======================= q-point: ( 0.43 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.735 ( 40.125 0.000 15.925) 43.170 5.021 ( 38.309 0.000 18.846) 42.694 5.312 ( -7.366 0.000 9.047) 11.666 5.633 ( -15.681 0.000 18.718) 24.418 5.765 ( 6.044 0.000 -2.044) 6.381 6.048 ( -21.516 0.000 0.446) 21.520 6.121 ( 16.331 0.000 0.563) 16.341 6.184 ( 6.761 0.000 43.694) 44.214 6.578 ( 0.595 0.000 34.892) 34.897 6.764 ( -11.367 0.000 8.062) 13.936 8.188 ( 8.090 0.000 13.416) 15.667 8.335 ( 12.490 0.000 5.541) 13.664 8.394 ( -5.651 0.000 19.453) 20.257 8.623 ( -13.537 0.000 2.244) 13.722 8.769 ( 8.549 0.000 1.164) 8.628 8.778 ( 0.512 0.000 44.659) 44.662 8.893 ( -6.788 0.000 45.893) 46.392 9.071 ( -18.398 0.000 -2.354) 18.548 9.798 ( -1.424 0.000 10.559) 10.655 9.899 ( -9.500 0.000 15.014) 17.767 10.419 ( 6.289 0.000 25.513) 26.277 10.600 ( 4.598 0.000 20.168) 20.686 10.620 ( -11.568 0.000 19.740) 22.880 10.845 ( -15.989 0.000 14.325) 21.468 11.768 ( 7.166 0.000 5.310) 8.919 11.913 ( -7.223 0.000 8.304) 11.005 12.009 ( 4.471 0.000 7.315) 8.573 12.115 ( -4.262 0.000 3.489) 5.508 12.253 ( 18.452 0.000 1.913) 18.550 12.345 ( 3.820 0.000 -12.714) 13.276 12.456 ( -4.905 0.000 -12.388) 13.324 12.559 ( -6.569 0.000 9.232) 11.331 13.080 ( -4.136 0.000 -4.693) 6.256 13.149 ( -8.707 0.000 -3.579) 9.414 13.249 ( 7.631 0.000 -5.662) 9.502 13.275 ( 12.384 0.000 -20.187) 23.683 13.403 ( -5.617 0.000 -1.129) 5.730 13.576 ( -13.223 0.000 -21.615) 25.339 14.019 ( 13.200 0.000 4.423) 13.921 14.267 ( -9.703 0.000 -4.251) 10.593 14.587 ( 6.913 0.000 -21.685) 22.761 14.646 ( 2.114 0.000 -13.889) 14.049 14.671 ( -0.455 0.000 -27.023) 27.027 14.676 ( -1.082 0.000 -13.543) 13.587 14.924 ( 14.100 0.000 -12.480) 18.830 15.076 ( 3.219 0.000 -9.438) 9.972 15.187 ( -6.590 0.000 -4.030) 7.724 15.232 ( -13.692 0.000 -3.152) 14.051 15.637 ( 6.462 0.000 -2.526) 6.938 15.779 ( -6.004 0.000 -1.989) 6.325 15.988 ( 6.442 0.000 -0.461) 6.459 16.138 ( -7.061 0.000 -0.694) 7.095 16.368 ( 2.865 0.000 3.172) 4.274 16.430 ( -2.732 0.000 1.256) 3.007 16.628 ( 10.968 0.000 1.977) 11.145 16.797 ( -4.273 0.000 -0.585) 4.313 17.341 ( 17.495 0.000 2.987) 17.748 17.624 ( -7.683 0.000 -1.704) 7.870 18.210 ( 7.248 0.000 2.808) 7.773 18.383 ( -8.379 0.000 5.064) 9.790 18.396 ( 5.791 0.000 -7.353) 9.359 18.525 ( -5.184 0.000 -7.284) 8.940 19.217 ( 11.673 0.000 -1.767) 11.806 19.511 ( -15.243 0.000 -6.402) 16.533 21.928 ( 2.164 0.000 -7.961) 8.250 21.981 ( -2.728 0.000 -8.679) 9.097 22.191 ( 8.453 0.000 -2.799) 8.904 22.352 ( -5.788 0.000 -2.489) 6.300 23.018 ( 18.218 0.000 -12.070) 21.854 23.376 ( -12.692 0.000 -11.129) 16.880 23.973 ( 2.459 0.000 -1.776) 3.033 24.128 ( -10.659 0.000 -2.131) 10.870 ======================= Grid point 155 (35/60) ======================= q-point: ( 0.14 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( 11.637 11.637 37.324) 40.791 3.724 ( 36.215 36.215 18.841) 54.571 5.005 ( 5.438 5.438 10.177) 12.756 5.034 ( 1.913 1.913 -5.088) 5.762 5.583 ( 5.480 5.480 9.801) 12.494 5.721 ( 9.199 9.199 11.288) 17.223 5.827 ( 9.713 9.713 49.005) 50.894 6.776 ( 1.686 1.686 -7.738) 8.097 6.783 ( 1.168 1.168 -6.832) 7.028 7.058 ( -4.335 -4.335 32.078) 32.659 7.872 ( -4.040 -4.040 18.542) 19.402 8.173 ( 6.488 6.488 9.701) 13.353 8.226 ( 3.716 3.716 49.066) 49.347 8.731 ( -7.805 -7.805 9.111) 14.312 8.947 ( -3.498 -3.498 57.245) 57.459 9.086 ( -6.335 -6.335 18.752) 20.782 9.260 ( 0.019 0.019 -10.755) 10.755 9.543 ( -25.328 -25.328 -8.044) 36.711 9.978 ( -5.188 -5.188 26.687) 27.677 10.394 ( 0.268 0.268 30.946) 30.949 10.666 ( -4.400 -4.400 6.379) 8.911 10.929 ( -0.035 -0.035 19.365) 19.365 11.224 ( 0.006 0.006 5.486) 5.486 11.226 ( 2.266 2.266 5.880) 6.697 11.458 ( 1.604 1.604 -0.783) 2.399 11.488 ( -1.453 -1.453 5.558) 5.925 11.885 ( 1.861 1.861 -6.341) 6.866 12.009 ( -7.057 -7.057 9.317) 13.653 12.297 ( -1.042 -1.042 -18.200) 18.259 12.429 ( -2.097 -2.097 -8.775) 9.263 12.491 ( 0.037 0.037 9.881) 9.881 12.784 ( 3.783 3.783 5.170) 7.440 12.814 ( 1.847 1.847 3.438) 4.318 13.095 ( -2.236 -2.236 3.231) 4.521 13.264 ( 5.468 5.468 6.814) 10.307 13.494 ( 7.526 7.526 10.864) 15.209 13.509 ( -5.356 -5.356 -0.844) 7.621 13.822 ( -2.133 -2.133 -9.073) 9.561 13.953 ( -0.600 -0.600 -24.432) 24.447 14.004 ( 0.271 0.271 -12.836) 12.842 14.384 ( 0.813 0.813 -11.266) 11.325 14.464 ( 5.000 5.000 -14.248) 15.906 14.576 ( 4.155 4.155 -24.489) 25.184 14.662 ( 0.258 0.258 -33.998) 34.000 14.719 ( -6.039 -6.039 -9.445) 12.734 15.060 ( 1.756 1.756 -29.823) 29.926 15.464 ( -2.967 -2.967 -4.734) 6.326 15.536 ( -6.587 -6.587 4.248) 10.238 15.586 ( -3.900 -3.900 6.915) 8.845 15.769 ( -4.885 -4.885 -0.832) 6.958 15.871 ( -6.139 -6.139 -0.078) 8.683 16.026 ( 3.337 3.337 7.995) 9.284 16.336 ( -6.938 -6.938 -1.687) 9.955 16.476 ( 5.248 5.248 1.630) 7.599 16.490 ( 4.279 4.279 -0.746) 6.098 16.751 ( 18.231 18.231 3.689) 26.045 16.763 ( 6.064 6.064 -2.982) 9.080 17.559 ( 3.969 3.969 -10.642) 12.031 18.133 ( 3.234 3.234 -0.776) 4.639 18.215 ( 4.776 4.776 -6.330) 9.257 18.577 ( -4.109 -4.109 6.874) 9.000 18.676 ( -1.006 -1.006 4.295) 4.524 18.933 ( 2.689 2.689 -0.175) 3.807 19.930 ( -5.908 -5.908 -17.565) 19.451 21.876 ( 0.542 0.542 -5.514) 5.567 21.948 ( 3.536 3.536 -6.904) 8.525 22.081 ( -0.771 -0.771 -8.034) 8.108 22.264 ( 8.317 8.317 -14.656) 18.792 22.668 ( -0.833 -0.833 3.399) 3.598 23.439 ( 1.888 1.888 -7.351) 7.820 24.169 ( -4.678 -4.678 4.109) 7.788 24.589 ( -11.241 -11.241 -6.172) 17.054 ======================= Grid point 156 (36/60) ======================= q-point: ( 0.29 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( 35.419 -10.602 32.094) 48.958 4.493 ( 32.742 15.226 6.731) 36.731 5.064 ( 3.312 -13.007 0.311) 13.426 5.254 ( 15.131 -3.193 16.121) 22.339 5.594 ( -8.595 -7.380 12.748) 17.054 5.939 ( 11.441 5.687 22.193) 25.609 6.079 ( 10.867 6.168 23.582) 26.688 6.718 ( -8.393 13.204 6.205) 16.832 6.779 ( -2.671 7.122 26.388) 27.462 7.008 ( 1.932 8.681 4.296) 9.877 7.862 ( 3.003 -11.924 15.954) 20.143 8.298 ( 0.899 -4.386 33.056) 33.358 8.315 ( 8.213 10.176 6.872) 14.772 8.602 ( -1.641 -5.486 5.213) 7.743 8.785 ( -10.089 -4.171 28.461) 30.483 8.983 ( -4.812 -1.133 55.144) 55.365 9.047 ( -16.920 -21.340 2.203) 27.323 9.208 ( -6.645 7.534 -8.422) 13.109 9.920 ( 0.297 -3.257 24.449) 24.666 10.361 ( -6.417 6.598 21.523) 23.408 10.459 ( -9.145 5.149 13.965) 17.469 10.771 ( -11.822 1.195 21.349) 24.433 10.961 ( -11.802 13.369 10.224) 20.556 11.209 ( -13.309 8.195 6.488) 16.923 11.539 ( 11.610 -6.384 1.569) 13.342 11.777 ( 17.671 -5.755 -0.190) 18.585 11.918 ( 3.308 1.869 6.297) 7.354 12.044 ( 7.790 -4.979 -0.773) 9.277 12.185 ( -6.782 0.682 4.081) 7.944 12.428 ( -1.183 6.249 -12.775) 14.271 12.508 ( 0.824 2.621 -2.354) 3.618 12.738 ( -2.358 9.066 6.112) 11.186 12.926 ( 3.521 -4.134 -2.332) 5.910 13.097 ( 2.165 -1.375 -0.186) 2.571 13.339 ( -5.985 -1.202 -3.670) 7.123 13.340 ( -2.300 3.068 -2.259) 4.451 13.642 ( -9.276 8.462 -5.171) 13.579 13.663 ( 5.062 -4.022 -3.508) 7.356 13.871 ( -2.408 3.011 -15.450) 15.924 14.220 ( 11.701 -7.701 -9.066) 16.686 14.375 ( -0.703 -6.972 -16.736) 18.144 14.538 ( -4.361 -10.671 -6.959) 13.465 14.603 ( 1.964 3.388 -18.430) 18.841 14.671 ( 0.924 0.363 -25.144) 25.163 14.687 ( 5.009 -0.492 -19.222) 19.870 15.099 ( 1.498 2.861 -24.485) 24.697 15.319 ( -8.467 -1.825 -1.004) 8.719 15.458 ( -5.036 -2.927 2.343) 6.278 15.513 ( -0.365 -3.860 -2.082) 4.401 15.652 ( -3.052 -10.744 0.235) 11.172 15.803 ( -1.596 -8.772 1.038) 8.976 16.099 ( -6.908 -11.601 -0.411) 13.509 16.215 ( 6.938 -3.040 5.821) 9.553 16.564 ( 4.114 10.654 1.220) 11.486 16.603 ( 4.417 7.369 2.134) 8.852 16.861 ( 1.740 3.937 0.081) 4.306 17.176 ( 19.230 18.790 0.757) 26.897 17.663 ( 4.678 2.302 -9.280) 10.645 18.182 ( 2.729 6.458 -0.584) 7.035 18.311 ( 2.507 0.697 -5.631) 6.203 18.505 ( -2.555 -2.777 4.719) 6.042 18.615 ( -4.457 -0.011 0.384) 4.474 19.023 ( 5.902 0.657 -0.182) 5.941 19.733 ( -12.173 -7.415 -11.726) 18.457 21.900 ( 1.581 0.882 -5.128) 5.438 22.042 ( -0.103 1.285 -7.052) 7.169 22.063 ( 4.625 2.444 -6.193) 8.107 22.458 ( 4.326 8.147 -11.501) 14.743 22.699 ( 8.115 -1.718 -3.434) 8.977 23.478 ( 0.639 -0.028 -9.309) 9.331 24.028 ( -7.726 -3.066 0.603) 8.334 24.306 ( -13.487 -8.731 -4.766) 16.758 ======================= Grid point 157 (37/60) ======================= q-point: ( 0.43 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.349 ( 41.086 -21.291 24.028) 52.141 5.002 ( 13.264 -22.282 1.536) 25.977 5.110 ( -7.487 -23.071 6.502) 25.112 5.167 ( -22.809 -23.504 13.314) 35.355 5.661 ( 22.357 11.170 18.974) 31.379 6.077 ( -9.956 6.146 -1.009) 11.744 6.228 ( 9.324 2.717 40.074) 41.234 6.439 ( -11.148 6.460 38.827) 40.909 6.841 ( 7.128 18.527 6.237) 20.807 7.003 ( -5.062 17.634 -1.093) 18.379 8.001 ( 9.849 -10.742 15.035) 20.939 8.221 ( -8.539 -11.650 15.498) 21.186 8.534 ( 9.353 7.085 1.597) 11.842 8.594 ( 4.195 -2.464 15.717) 16.453 8.716 ( -1.595 -8.527 16.621) 18.749 8.787 ( -3.447 0.475 16.924) 17.278 8.887 ( -5.158 4.778 50.213) 50.703 9.002 ( -10.943 6.995 9.854) 16.303 9.965 ( 3.392 5.435 14.698) 16.033 10.105 ( -10.924 12.361 11.272) 19.979 10.422 ( 2.482 0.188 23.987) 24.116 10.545 ( -8.633 -1.325 23.178) 24.769 10.804 ( -0.689 15.158 13.759) 20.482 10.933 ( -11.010 11.637 11.127) 19.505 11.765 ( 8.765 -1.031 3.767) 9.596 11.921 ( -5.337 1.961 2.550) 6.232 12.082 ( 9.954 4.370 8.809) 13.992 12.188 ( 7.208 1.072 -0.750) 7.325 12.248 ( 7.849 2.299 -2.262) 8.486 12.323 ( -6.002 2.596 3.390) 7.366 12.492 ( 0.033 3.964 -11.984) 12.623 12.667 ( -8.362 7.505 4.888) 12.253 12.979 ( 1.949 -5.934 -6.154) 8.768 13.051 ( -4.123 -6.662 -0.155) 7.836 13.278 ( 4.361 0.993 -7.437) 8.678 13.383 ( 2.833 6.623 -17.615) 19.032 13.465 ( -5.776 5.480 -1.911) 8.188 13.577 ( -8.673 0.149 -19.112) 20.988 13.999 ( 10.404 -2.133 1.970) 10.802 14.220 ( -9.285 -4.899 -5.042) 11.646 14.466 ( 6.330 -11.121 -11.347) 17.102 14.520 ( 1.471 -11.662 -14.006) 18.285 14.612 ( 0.355 -4.254 -23.712) 24.093 14.655 ( -1.912 -1.474 -24.339) 24.458 14.866 ( 10.192 -2.299 -7.822) 13.051 15.081 ( -7.136 -5.521 -11.139) 14.335 15.181 ( -0.437 3.828 -5.200) 6.472 15.277 ( -7.943 1.170 -6.818) 10.533 15.595 ( 5.597 -5.526 -3.636) 8.665 15.672 ( 1.112 -12.007 -1.123) 12.111 15.765 ( 0.311 -8.082 1.840) 8.295 15.896 ( -9.221 -11.437 0.564) 14.702 16.451 ( 10.949 -2.971 3.000) 11.735 16.597 ( -2.089 7.111 -0.411) 7.423 16.700 ( 5.046 9.242 4.572) 11.479 16.818 ( -5.139 2.413 3.327) 6.580 17.523 ( 12.674 14.373 -1.387) 19.213 17.696 ( -3.020 6.557 -5.195) 8.894 18.264 ( 5.316 4.495 2.701) 7.467 18.367 ( 1.352 -0.169 -2.329) 2.698 18.430 ( -2.700 1.872 0.704) 3.360 18.510 ( -5.084 -1.341 -6.242) 8.161 19.191 ( 9.952 -2.104 -1.788) 10.328 19.447 ( -13.582 -5.513 -5.790) 15.760 21.941 ( 2.268 1.234 -5.672) 6.233 21.994 ( -2.574 1.089 -6.438) 7.018 22.225 ( 8.451 2.918 -3.742) 9.692 22.396 ( -6.845 3.598 -2.577) 8.151 23.024 ( 18.156 0.691 -13.986) 22.929 23.371 ( -12.165 -0.430 -12.484) 17.436 23.936 ( 1.372 -3.308 -2.610) 4.431 24.061 ( -9.124 -5.891 -3.212) 11.326 ======================= Grid point 163 (38/60) ======================= q-point: ( 0.29 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.529 ( 13.136 13.136 33.012) 37.880 4.539 ( -5.414 -5.414 0.330) 7.664 4.719 ( -14.031 -14.031 2.990) 20.066 5.294 ( -20.554 -20.554 16.511) 33.430 5.558 ( 21.946 21.946 22.260) 38.193 6.055 ( 5.327 5.327 8.906) 11.664 6.196 ( 4.755 4.755 26.263) 27.110 6.776 ( -5.309 -5.309 45.250) 45.869 6.957 ( 5.457 5.457 3.625) 8.526 7.317 ( 13.463 13.463 -5.271) 19.756 7.647 ( -5.665 -5.665 14.866) 16.888 8.113 ( -10.280 -10.280 22.381) 26.688 8.520 ( 1.014 1.014 1.000) 1.749 8.595 ( -1.359 -1.359 1.108) 2.218 8.631 ( 6.681 6.681 15.836) 18.440 8.776 ( 0.332 0.332 38.320) 38.323 8.997 ( -0.761 -0.761 60.474) 60.484 9.361 ( 1.978 1.978 -19.982) 20.177 9.855 ( -0.701 -0.701 32.599) 32.614 10.401 ( -8.367 -8.367 13.280) 17.787 10.412 ( -0.087 -0.087 26.314) 26.314 10.713 ( -4.590 -4.590 23.077) 23.973 11.305 ( 4.685 4.685 3.007) 7.276 11.401 ( 6.496 6.496 2.071) 9.417 11.568 ( 3.331 3.331 -6.993) 8.431 11.637 ( 9.372 9.372 10.302) 16.787 11.966 ( -0.712 -0.712 -3.897) 4.025 12.049 ( 7.572 7.572 11.002) 15.353 12.201 ( 4.206 4.206 1.119) 6.052 12.578 ( 5.317 5.317 -20.698) 22.022 12.580 ( 2.798 2.798 9.085) 9.910 12.807 ( -2.714 -2.714 5.555) 6.752 12.888 ( 0.815 0.815 -2.867) 3.090 13.148 ( 3.711 3.711 -0.190) 5.251 13.152 ( -9.048 -9.048 1.810) 12.923 13.484 ( 3.135 3.135 -2.664) 5.173 13.590 ( -1.033 -1.033 -19.621) 19.676 13.735 ( -3.014 -3.014 -6.743) 7.978 13.921 ( 1.229 1.229 -10.682) 10.822 14.151 ( 3.968 3.968 -6.191) 8.356 14.226 ( -6.555 -6.555 -16.175) 18.643 14.238 ( -13.536 -13.536 -6.455) 20.202 14.558 ( -5.566 -5.566 -27.488) 28.593 14.677 ( 0.200 0.200 -23.971) 23.972 14.745 ( 2.419 2.419 -2.755) 4.392 15.078 ( -6.195 -6.195 -20.164) 21.985 15.300 ( -3.370 -3.370 2.529) 5.395 15.331 ( -1.307 -1.307 -11.315) 11.465 15.450 ( -1.271 -1.271 0.616) 1.900 15.500 ( -9.388 -9.388 1.176) 13.328 15.651 ( -0.026 -0.026 -1.098) 1.099 15.920 ( -5.987 -5.987 -0.785) 8.504 16.175 ( 1.082 1.082 9.089) 9.217 16.683 ( -0.059 -0.059 -1.620) 1.622 16.791 ( 8.217 8.217 3.907) 12.260 16.913 ( 1.371 1.371 4.272) 4.692 17.576 ( 16.718 16.718 -2.693) 23.795 17.748 ( 5.410 5.410 -10.944) 13.353 18.296 ( 4.180 4.180 -1.712) 6.154 18.353 ( 1.839 1.839 -5.894) 6.442 18.460 ( -0.635 -0.635 5.380) 5.454 18.581 ( -3.307 -3.307 0.850) 4.754 19.056 ( 2.667 2.667 -0.816) 3.859 19.530 ( -10.754 -10.754 -8.127) 17.244 21.932 ( 2.034 2.034 -2.261) 3.659 22.047 ( -0.630 -0.630 -3.924) 4.023 22.154 ( 5.768 5.768 -6.923) 10.700 22.594 ( -2.718 -2.718 2.722) 4.710 22.743 ( 12.259 12.259 -21.112) 27.318 23.470 ( -1.389 -1.389 -12.224) 12.381 23.934 ( -5.494 -5.494 -1.304) 7.879 24.081 ( -10.672 -10.672 -6.201) 16.316 ======================= Grid point 164 (39/60) ======================= q-point: ( 0.43 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.992 ( 27.103 -10.927 24.823) 38.342 4.405 ( -7.641 -26.461 3.809) 27.804 4.530 ( -2.750 -23.919 8.208) 25.437 4.765 ( -25.742 -18.642 21.481) 38.362 5.987 ( 15.813 13.152 8.658) 22.316 6.151 ( 0.728 1.987 -2.280) 3.110 6.285 ( 6.668 3.173 40.228) 40.900 6.546 ( -14.251 4.184 50.905) 53.027 7.071 ( 6.672 3.228 0.928) 7.470 7.270 ( -10.909 5.183 -2.920) 12.426 7.742 ( 8.512 -15.011 14.665) 22.646 7.918 ( -8.336 -14.776 18.537) 25.128 8.551 ( 9.212 8.935 7.541) 14.886 8.712 ( -2.351 12.152 6.264) 13.872 8.807 ( 7.042 5.854 45.990) 46.893 8.880 ( 8.105 7.476 19.515) 22.415 8.962 ( 1.853 3.700 39.642) 39.858 9.229 ( -12.561 10.124 -11.386) 19.746 9.949 ( 8.299 -5.579 23.270) 25.328 10.167 ( -11.673 -5.698 16.515) 21.011 10.448 ( 4.222 3.524 26.465) 27.031 10.584 ( -7.335 4.788 25.503) 26.965 11.247 ( 0.280 23.063 3.305) 23.300 11.356 ( -9.231 23.085 2.370) 24.975 11.737 ( 13.097 -1.212 0.237) 13.155 11.901 ( -1.851 -3.502 -3.250) 5.124 12.087 ( 15.253 -4.111 2.145) 15.942 12.235 ( 8.291 7.248 3.780) 11.643 12.365 ( 5.167 9.141 0.663) 10.522 12.491 ( -8.897 8.643 10.385) 16.177 12.635 ( 2.888 8.684 -12.158) 15.218 12.798 ( -1.499 2.559 4.241) 5.175 12.879 ( -2.046 -3.787 -6.645) 7.917 12.932 ( -6.703 -1.363 5.681) 8.892 13.289 ( 8.868 -1.476 -2.282) 9.275 13.469 ( -3.488 -0.616 -15.537) 15.935 13.575 ( -2.493 3.345 -18.090) 18.565 13.594 ( -6.813 1.983 -3.716) 8.009 13.929 ( 0.125 -3.938 -7.727) 8.673 13.979 ( -5.935 -17.498 -5.101) 19.168 14.218 ( 4.230 -8.541 -17.805) 20.196 14.311 ( 2.446 -6.812 -9.085) 11.615 14.455 ( 1.329 -8.912 -19.342) 21.338 14.619 ( -6.950 -2.139 -15.185) 16.837 14.785 ( 2.971 -7.447 -9.194) 12.200 14.902 ( -7.926 -10.344 -13.673) 18.888 15.233 ( -1.061 0.742 -1.628) 2.080 15.274 ( -5.325 -0.235 -2.578) 5.920 15.408 ( 3.348 -5.268 -7.655) 9.877 15.464 ( -1.165 -6.369 -3.850) 7.533 15.709 ( 4.349 2.061 -0.301) 4.822 15.811 ( -4.812 -0.437 -0.758) 4.891 16.299 ( 10.146 -8.436 7.259) 15.060 16.546 ( -11.091 -9.451 3.445) 14.973 16.920 ( 3.614 9.085 3.136) 10.268 16.945 ( 0.908 7.317 3.149) 8.017 17.829 ( 6.369 11.940 -8.157) 15.801 17.860 ( 3.410 7.531 -11.126) 13.861 18.369 ( 2.338 4.370 1.367) 5.141 18.390 ( 3.283 2.487 -0.931) 4.223 18.460 ( -0.957 0.611 2.156) 2.436 18.483 ( -4.979 -0.575 -0.527) 5.039 19.146 ( 5.857 -1.683 -2.122) 6.453 19.309 ( -9.358 -6.606 -4.531) 12.318 21.979 ( 2.180 2.105 -1.318) 3.305 22.021 ( -1.699 1.220 -2.052) 2.930 22.302 ( 7.809 4.009 -4.637) 9.927 22.469 ( -7.436 2.262 -0.961) 7.831 23.063 ( 15.688 3.441 -19.361) 25.155 23.357 ( -10.361 -1.076 -16.240) 19.294 23.845 ( -0.834 -4.775 -4.295) 6.476 23.906 ( -5.684 -7.737 -5.517) 11.073 ======================= Grid point 171 (40/60) ======================= q-point: ( 0.43 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( -0.746 -0.746 12.486) 12.530 3.982 ( -12.068 -12.068 5.069) 17.803 4.224 ( -2.626 -2.626 22.690) 22.992 4.389 ( -15.059 -15.059 26.575) 34.055 6.132 ( 2.931 2.931 -7.883) 8.906 6.176 ( -0.853 -0.853 -6.740) 6.847 6.428 ( 9.063 9.063 55.418) 56.881 6.567 ( -2.988 -2.988 53.409) 53.576 7.116 ( 4.314 4.314 0.961) 6.176 7.280 ( -6.458 -6.458 -0.003) 9.133 7.479 ( -1.971 -1.971 18.136) 18.349 7.632 ( -11.720 -11.720 19.398) 25.515 8.855 ( 14.186 14.186 4.340) 20.526 8.887 ( 2.766 2.766 56.659) 56.794 8.919 ( 0.712 0.712 50.400) 50.410 9.000 ( 3.533 3.533 15.006) 15.816 9.117 ( 11.201 11.201 -16.681) 23.004 9.323 ( -3.489 -3.489 -22.744) 23.273 9.854 ( 0.097 0.097 34.196) 34.196 9.977 ( -9.554 -9.554 25.079) 28.487 10.574 ( 6.808 6.808 26.565) 28.256 10.659 ( 0.149 0.149 26.036) 26.037 11.586 ( 6.940 6.940 -2.069) 10.030 11.695 ( 2.538 2.538 -3.895) 5.296 11.701 ( 2.143 2.143 -2.592) 3.988 11.819 ( -4.227 -4.227 -3.372) 6.863 12.218 ( 18.308 18.308 5.502) 26.470 12.408 ( 6.451 6.451 9.101) 12.887 12.579 ( 4.282 4.282 -4.113) 7.320 12.617 ( -1.175 -1.175 6.156) 6.376 12.690 ( 4.577 4.577 1.512) 6.647 12.850 ( -1.579 -1.579 5.368) 5.814 12.855 ( 4.823 4.823 -8.636) 11.005 13.016 ( 3.493 3.493 5.553) 7.432 13.090 ( -8.320 -8.320 -0.868) 11.799 13.405 ( -20.618 -20.618 0.731) 29.168 13.481 ( 2.843 2.843 -17.203) 17.666 13.569 ( -4.387 -4.387 -13.163) 14.552 13.791 ( 5.479 5.479 -19.669) 21.140 13.899 ( -2.316 -2.316 -17.960) 18.256 14.116 ( -0.656 -0.656 -17.651) 17.676 14.192 ( -5.847 -5.847 -15.592) 17.649 14.338 ( 0.994 0.994 -2.993) 3.307 14.485 ( -10.528 -10.528 0.535) 14.898 14.665 ( -0.400 -0.400 -17.948) 17.957 14.720 ( -5.562 -5.562 -15.280) 17.186 15.237 ( 0.466 0.466 5.497) 5.537 15.260 ( -1.480 -1.480 6.418) 6.750 15.395 ( 2.631 2.631 -14.380) 14.854 15.430 ( 0.082 0.082 -12.774) 12.774 15.767 ( 2.506 2.506 -1.314) 3.779 15.803 ( -0.851 -0.851 -1.505) 1.927 16.184 ( -0.366 -0.366 7.809) 7.826 16.309 ( -10.636 -10.636 6.251) 16.288 17.054 ( 3.274 3.274 2.352) 5.193 17.059 ( 2.766 2.766 2.177) 4.476 17.972 ( 3.470 3.470 -15.846) 16.588 17.991 ( 2.456 2.456 -14.718) 15.122 18.433 ( 2.352 2.352 2.197) 3.986 18.454 ( 2.445 2.445 2.690) 4.381 18.473 ( -1.029 -1.029 3.872) 4.136 18.475 ( 0.538 0.538 4.041) 4.112 19.135 ( 0.912 0.912 -2.825) 3.106 19.190 ( -4.227 -4.227 -3.547) 6.951 22.020 ( 1.533 1.533 1.608) 2.699 22.037 ( 0.061 0.061 1.316) 1.319 22.391 ( 4.230 4.230 -3.349) 6.855 22.467 ( -2.347 -2.347 -0.680) 3.388 23.176 ( 6.616 6.616 -22.940) 24.775 23.304 ( -4.464 -4.464 -21.100) 22.024 23.759 ( -2.268 -2.268 -5.570) 6.427 23.776 ( -3.727 -3.727 -6.479) 8.352 ======================= Grid point 196 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( 0.000 0.000 27.956) 27.956 3.372 ( 0.000 0.000 27.956) 27.956 4.723 ( -0.000 0.000 -10.376) 10.376 4.723 ( -0.000 -0.000 -10.376) 10.376 5.569 ( -0.000 0.000 10.124) 10.124 5.569 ( 0.000 0.000 10.124) 10.124 6.386 ( 0.000 0.000 -17.319) 17.319 6.386 ( -0.000 0.000 -17.319) 17.319 7.056 ( -0.000 -0.000 55.820) 55.820 7.810 ( 0.000 0.000 17.038) 17.038 8.177 ( 0.000 0.000 5.547) 5.547 8.177 ( 0.000 0.000 5.547) 5.547 9.180 ( -0.000 -0.000 13.871) 13.871 9.199 ( 0.000 0.000 -4.236) 4.236 9.199 ( 0.000 0.000 -4.236) 4.236 9.375 ( 0.000 -0.000 58.747) 58.747 9.817 ( 0.000 0.000 -17.098) 17.098 10.320 ( 0.000 0.000 29.986) 29.986 10.595 ( 0.000 -0.000 55.676) 55.676 10.864 ( 0.000 0.000 2.919) 2.919 10.864 ( 0.000 0.000 2.919) 2.919 11.278 ( 0.000 0.000 -28.256) 28.256 11.368 ( 0.000 0.000 -1.890) 1.890 11.368 ( 0.000 0.000 -1.890) 1.890 11.481 ( 0.000 0.000 -38.440) 38.440 11.529 ( 0.000 0.000 52.751) 52.751 11.835 ( 0.000 -0.000 29.639) 29.639 11.835 ( 0.000 0.000 29.639) 29.639 12.579 ( 0.000 -0.000 23.653) 23.653 12.683 ( -0.000 -0.000 2.040) 2.040 12.683 ( 0.000 0.000 2.040) 2.040 12.857 ( 0.000 0.000 -3.031) 3.031 12.857 ( -0.000 -0.000 -3.031) 3.031 13.044 ( 0.000 0.000 -30.886) 30.886 13.278 ( 0.000 0.000 -3.014) 3.014 13.360 ( 0.000 0.000 -23.665) 23.665 13.557 ( -0.000 -0.000 8.645) 8.645 13.635 ( 0.000 -0.000 -12.473) 12.473 13.635 ( 0.000 0.000 -12.473) 12.473 13.653 ( 0.000 0.000 4.702) 4.702 13.990 ( 0.000 0.000 -15.957) 15.957 14.013 ( 0.000 0.000 -11.871) 11.871 14.055 ( 0.000 0.000 -13.513) 13.513 14.055 ( 0.000 0.000 -13.513) 13.513 14.356 ( 0.000 0.000 -30.378) 30.378 14.536 ( 0.000 0.000 -16.783) 16.783 15.511 ( 0.000 0.000 2.436) 2.436 15.776 ( 0.000 0.000 1.281) 1.281 15.776 ( 0.000 0.000 1.281) 1.281 15.941 ( 0.000 0.000 -14.921) 14.921 16.049 ( 0.000 0.000 5.491) 5.491 16.049 ( 0.000 0.000 5.491) 5.491 16.053 ( 0.000 0.000 9.414) 9.414 16.435 ( -0.000 -0.000 -8.423) 8.423 16.456 ( -0.000 -0.000 0.656) 0.656 16.456 ( 0.000 0.000 0.656) 0.656 16.685 ( 0.000 0.000 10.966) 10.966 17.212 ( 0.000 0.000 -12.507) 12.507 18.053 ( 0.000 0.000 -0.057) 0.057 18.053 ( 0.000 0.000 -0.057) 0.057 18.821 ( -0.000 0.000 4.850) 4.850 18.821 ( 0.000 0.000 4.850) 4.850 18.907 ( -0.000 -0.000 6.425) 6.425 19.556 ( 0.000 -0.000 -22.201) 22.201 21.774 ( 0.000 0.000 -2.344) 2.344 21.774 ( 0.000 0.000 -2.344) 2.344 21.911 ( -0.000 0.000 -8.138) 8.138 21.911 ( 0.000 0.000 -8.138) 8.138 22.808 ( -0.000 -0.000 8.579) 8.579 23.227 ( 0.000 0.000 -9.337) 9.337 24.410 ( 0.000 0.000 6.471) 6.471 24.698 ( 0.000 0.000 -7.701) 7.701 ======================= Grid point 197 (42/60) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.633 ( 23.248 0.000 25.500) 34.507 3.726 ( 30.661 0.000 24.831) 39.455 4.839 ( 10.501 0.000 -9.537) 14.185 4.916 ( 17.291 0.000 -10.858) 20.418 5.625 ( 4.564 0.000 8.700) 9.824 5.693 ( 10.586 0.000 9.936) 14.519 6.412 ( 1.651 0.000 -14.499) 14.592 6.488 ( 8.466 0.000 -14.993) 17.218 7.086 ( 2.940 0.000 54.212) 54.291 7.718 ( -7.792 0.000 21.060) 22.456 8.197 ( 1.567 0.000 5.014) 5.253 8.198 ( 1.355 0.000 2.791) 3.103 8.977 ( -14.827 0.000 2.729) 15.076 9.049 ( -12.030 0.000 10.656) 16.071 9.099 ( -8.686 0.000 -3.982) 9.555 9.501 ( 6.722 0.000 47.714) 48.185 9.652 ( -11.596 0.000 -12.951) 17.383 10.288 ( -3.756 0.000 26.444) 26.710 10.511 ( -11.165 0.000 43.918) 45.315 10.667 ( -10.375 0.000 12.404) 16.171 10.967 ( 5.188 0.000 9.971) 11.240 11.189 ( -5.633 0.000 0.148) 5.635 11.344 ( -0.310 0.000 5.637) 5.645 11.522 ( 9.234 0.000 -30.239) 31.618 11.577 ( 2.395 0.000 36.527) 36.606 11.600 ( 9.426 0.000 -24.961) 26.682 11.790 ( -4.291 0.000 29.722) 30.030 11.845 ( 2.421 0.000 26.155) 26.267 12.403 ( -11.107 0.000 12.996) 17.096 12.540 ( -10.965 0.000 4.340) 11.793 12.688 ( -2.450 0.000 4.925) 5.501 12.780 ( -4.094 0.000 -2.482) 4.787 12.806 ( -3.246 0.000 -4.246) 5.344 13.029 ( -1.771 0.000 -25.545) 25.606 13.333 ( -1.557 0.000 -21.741) 21.797 13.374 ( 3.967 0.000 3.244) 5.125 13.511 ( -9.047 0.000 -9.352) 13.012 13.616 ( -2.523 0.000 3.244) 4.110 13.624 ( 3.857 0.000 -4.283) 5.764 13.751 ( 6.793 0.000 -19.567) 20.713 14.009 ( 3.506 0.000 -12.990) 13.455 14.021 ( -0.103 0.000 -20.183) 20.183 14.093 ( 2.093 0.000 -14.325) 14.477 14.189 ( 11.053 0.000 -5.444) 12.321 14.430 ( 8.074 0.000 -24.110) 25.426 14.526 ( -0.521 0.000 -14.430) 14.440 15.443 ( -5.996 0.000 0.772) 6.046 15.678 ( -5.243 0.000 -0.296) 5.251 15.762 ( -3.100 0.000 3.827) 4.925 15.876 ( -6.054 0.000 1.384) 6.210 15.921 ( -1.678 0.000 -1.483) 2.239 16.213 ( 6.908 0.000 6.256) 9.320 16.219 ( 10.258 0.000 -2.422) 10.540 16.410 ( -1.601 0.000 1.077) 1.929 16.453 ( -0.130 0.000 0.011) 0.131 16.572 ( 8.893 0.000 -5.174) 10.289 16.761 ( 8.202 0.000 11.019) 13.736 17.275 ( 5.756 0.000 -12.382) 13.655 18.059 ( 0.889 0.000 0.075) 0.892 18.117 ( 4.786 0.000 -1.867) 5.138 18.760 ( -4.934 0.000 4.137) 6.439 18.782 ( -3.661 0.000 4.778) 6.020 18.959 ( 3.942 0.000 6.360) 7.482 19.563 ( 0.004 0.000 -20.368) 20.368 21.773 ( -0.044 0.000 -2.661) 2.662 21.816 ( 4.060 0.000 -2.181) 4.608 21.897 ( -1.215 0.000 -7.923) 8.016 21.968 ( 5.666 0.000 -8.663) 10.351 22.805 ( -0.596 0.000 8.585) 8.606 23.246 ( 1.801 0.000 -9.804) 9.968 24.325 ( -8.069 0.000 5.078) 9.534 24.579 ( -10.075 0.000 -6.386) 11.929 ======================= Grid point 198 (43/60) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.287 ( 35.946 0.000 20.546) 41.403 4.532 ( 41.302 0.000 19.729) 45.772 5.138 ( 16.348 0.000 -7.052) 17.804 5.400 ( 26.129 0.000 -12.495) 28.963 5.715 ( 2.505 0.000 4.697) 5.323 5.937 ( 9.507 0.000 10.655) 14.280 6.383 ( -6.926 0.000 -6.016) 9.174 6.654 ( 3.948 0.000 -6.967) 8.008 7.187 ( 6.277 0.000 46.902) 47.320 7.520 ( -9.650 0.000 26.988) 28.661 8.218 ( 0.399 0.000 0.707) 0.812 8.222 ( 1.370 0.000 0.480) 1.452 8.668 ( -12.482 0.000 -3.513) 12.966 8.791 ( -7.647 0.000 5.075) 9.178 8.876 ( -11.583 0.000 -3.737) 12.171 9.374 ( -14.820 0.000 -5.648) 15.860 9.593 ( 0.587 0.000 38.122) 38.126 10.138 ( -12.337 0.000 11.660) 16.975 10.186 ( -11.172 0.000 34.387) 36.157 10.503 ( -7.554 0.000 35.127) 35.930 10.999 ( -0.937 0.000 22.612) 22.631 11.087 ( -2.138 0.000 19.110) 19.229 11.323 ( -5.480 0.000 21.818) 22.495 11.622 ( -10.425 0.000 27.082) 29.020 11.641 ( 7.762 0.000 8.559) 11.554 11.752 ( 10.480 0.000 -25.328) 27.410 11.789 ( 6.847 0.000 -20.602) 21.710 11.976 ( 8.326 0.000 12.420) 14.953 12.213 ( -4.979 0.000 6.998) 8.589 12.323 ( -8.001 0.000 9.557) 12.465 12.608 ( -4.474 0.000 -1.540) 4.732 12.761 ( 2.987 0.000 3.759) 4.802 12.764 ( -0.276 0.000 -6.857) 6.862 12.964 ( -4.069 0.000 -20.705) 21.101 13.211 ( -17.280 0.000 -6.948) 18.625 13.305 ( -0.938 0.000 -15.441) 15.470 13.350 ( -6.611 0.000 6.313) 9.141 13.530 ( -5.414 0.000 0.916) 5.491 13.737 ( 5.992 0.000 -22.110) 22.908 13.874 ( 4.867 0.000 -28.222) 28.638 13.994 ( -2.142 0.000 -23.357) 23.455 14.097 ( -1.548 0.000 -24.446) 24.495 14.160 ( 9.114 0.000 -5.162) 10.475 14.476 ( 11.499 0.000 -3.645) 12.063 14.532 ( 4.504 0.000 -6.659) 8.039 14.694 ( 14.551 0.000 -9.152) 17.190 15.299 ( -6.701 0.000 -1.064) 6.785 15.564 ( -13.011 0.000 3.608) 13.502 15.601 ( -1.616 0.000 2.579) 3.043 15.866 ( -3.763 0.000 -0.902) 3.870 15.876 ( 3.477 0.000 -0.227) 3.484 16.250 ( -4.172 0.000 -0.413) 4.193 16.365 ( 3.658 0.000 1.411) 3.921 16.455 ( 0.196 0.000 -0.701) 0.728 16.474 ( 8.330 0.000 4.161) 9.312 16.747 ( 5.869 0.000 -2.305) 6.305 17.050 ( 17.198 0.000 7.280) 18.675 17.438 ( 8.559 0.000 -10.503) 13.549 18.112 ( 4.657 0.000 0.756) 4.718 18.206 ( 3.079 0.000 -3.754) 4.856 18.621 ( -7.897 0.000 1.851) 8.111 18.665 ( -7.284 0.000 4.452) 8.537 19.059 ( 5.269 0.000 4.538) 6.954 19.517 ( -4.890 0.000 -14.620) 15.416 21.775 ( 0.330 0.000 -3.561) 3.576 21.863 ( -1.902 0.000 -7.262) 7.507 21.955 ( 8.904 0.000 -1.056) 8.966 22.148 ( 10.276 0.000 -9.616) 14.074 22.780 ( -1.038 0.000 6.403) 6.486 23.286 ( 0.534 0.000 -9.831) 9.846 24.081 ( -12.806 0.000 0.697) 12.825 24.333 ( -11.911 0.000 -2.665) 12.205 ======================= Grid point 199 (44/60) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.064 ( 33.573 0.000 15.215) 36.859 5.357 ( 33.211 0.000 14.429) 36.210 5.447 ( 5.793 0.000 1.981) 6.123 5.712 ( 1.696 0.000 -1.972) 2.601 5.811 ( -2.783 0.000 -2.611) 3.816 6.052 ( -22.227 0.000 0.027) 22.227 6.112 ( 18.240 0.000 5.025) 18.920 6.547 ( -14.922 0.000 -2.076) 15.066 7.298 ( 3.249 0.000 35.669) 35.817 7.368 ( -4.063 0.000 31.983) 32.240 8.301 ( 9.226 0.000 -4.874) 10.434 8.302 ( 6.836 0.000 1.178) 6.936 8.467 ( -7.559 0.000 -3.562) 8.357 8.574 ( -14.190 0.000 -4.274) 14.820 8.820 ( 6.717 0.000 2.902) 7.317 9.050 ( -14.060 0.000 -0.792) 14.082 9.569 ( 1.607 0.000 17.397) 17.471 9.773 ( -16.367 0.000 15.167) 22.314 10.173 ( 5.490 0.000 36.611) 37.021 10.331 ( -8.227 0.000 40.176) 41.009 11.003 ( 2.684 0.000 25.326) 25.468 11.135 ( -9.163 0.000 25.182) 26.798 11.140 ( 7.008 0.000 29.853) 30.665 11.359 ( -12.598 0.000 30.645) 33.133 11.872 ( 2.937 0.000 -18.283) 18.518 11.888 ( 11.722 0.000 6.107) 13.218 11.904 ( 0.837 0.000 -22.731) 22.746 12.066 ( -4.075 0.000 6.833) 7.955 12.261 ( 9.091 0.000 3.996) 9.930 12.318 ( 12.432 0.000 5.440) 13.570 12.474 ( -8.746 0.000 0.010) 8.746 12.709 ( -18.498 0.000 4.068) 18.940 12.796 ( 3.008 0.000 -16.465) 16.737 12.874 ( -4.020 0.000 -21.947) 22.312 12.973 ( 5.975 0.000 -2.127) 6.342 13.169 ( -9.684 0.000 3.959) 10.462 13.313 ( 2.196 0.000 -6.800) 7.146 13.403 ( -5.794 0.000 -2.326) 6.244 13.852 ( 4.610 0.000 -25.037) 25.458 13.935 ( -3.286 0.000 -24.924) 25.140 13.968 ( 4.027 0.000 -30.900) 31.161 14.045 ( -3.101 0.000 -30.031) 30.190 14.347 ( 7.696 0.000 -2.574) 8.115 14.471 ( -3.736 0.000 -4.563) 5.897 14.873 ( 18.119 0.000 0.903) 18.142 14.973 ( 10.749 0.000 -1.788) 10.896 15.157 ( -7.079 0.000 -0.444) 7.093 15.247 ( -16.468 0.000 2.101) 16.602 15.631 ( 4.433 0.000 1.040) 4.553 15.756 ( -6.247 0.000 -0.886) 6.309 15.981 ( 6.121 0.000 -0.191) 6.124 16.123 ( -6.808 0.000 -0.656) 6.840 16.418 ( 1.843 0.000 1.778) 2.561 16.449 ( -0.937 0.000 0.468) 1.047 16.664 ( 8.145 0.000 1.314) 8.250 16.785 ( -2.441 0.000 -0.509) 2.494 17.400 ( 13.601 0.000 2.762) 13.879 17.556 ( 0.014 0.000 -4.342) 4.342 18.265 ( 9.271 0.000 2.202) 9.529 18.277 ( 4.998 0.000 -3.947) 6.369 18.436 ( -8.950 0.000 -1.843) 9.137 18.478 ( -9.906 0.000 3.624) 10.548 19.189 ( 7.162 0.000 -0.299) 7.169 19.363 ( -8.624 0.000 -7.045) 11.136 21.790 ( 1.112 0.000 -4.842) 4.968 21.822 ( -1.812 0.000 -6.178) 6.438 22.166 ( 9.606 0.000 0.471) 9.618 22.294 ( -0.004 0.000 -3.665) 3.665 22.855 ( 10.686 0.000 -3.293) 11.182 23.160 ( -13.276 0.000 -9.039) 16.061 23.938 ( 1.663 0.000 -1.434) 2.196 24.090 ( -10.418 0.000 -1.419) 10.514 ======================= Grid point 204 (45/60) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.687 ( 11.888 11.888 31.067) 35.324 4.069 ( 23.648 23.648 13.341) 36.007 4.898 ( 4.330 4.330 -7.198) 9.451 5.038 ( 12.310 12.310 -9.100) 19.643 5.666 ( 4.853 4.853 5.833) 9.007 5.798 ( 6.732 6.732 9.453) 13.417 6.525 ( 8.439 8.439 -12.836) 17.527 6.566 ( 7.551 7.551 -10.219) 14.780 7.120 ( 3.284 3.284 52.217) 52.423 7.692 ( -2.989 -2.989 23.044) 23.429 8.108 ( -3.388 -3.388 6.772) 8.295 8.260 ( 1.579 1.579 -0.768) 2.362 8.860 ( -10.211 -10.211 4.341) 15.079 8.918 ( -11.164 -11.164 9.921) 18.647 9.047 ( -4.014 -4.014 -9.244) 10.848 9.350 ( -19.998 -19.998 -10.257) 30.083 9.578 ( 5.490 5.490 48.936) 49.548 10.297 ( -0.347 -0.347 31.975) 31.979 10.518 ( -2.861 -2.861 49.997) 50.160 10.714 ( -2.295 -2.295 -4.110) 5.237 10.954 ( 3.468 3.468 17.903) 18.563 11.266 ( 1.727 1.727 -3.034) 3.895 11.311 ( 0.394 0.394 5.550) 5.578 11.522 ( -4.578 -4.578 35.399) 35.987 11.558 ( 2.646 2.646 -26.090) 26.357 11.654 ( 2.298 2.298 -9.299) 9.851 11.768 ( 2.334 2.334 7.112) 7.841 11.864 ( 1.767 1.767 29.551) 29.656 12.303 ( -5.449 -5.449 19.546) 21.010 12.407 ( -8.865 -8.865 -2.581) 12.801 12.681 ( -1.455 -1.455 3.690) 4.225 12.780 ( -0.217 -0.217 -10.885) 10.889 12.843 ( 0.574 0.574 2.190) 2.335 13.009 ( -1.601 -1.601 -22.251) 22.366 13.276 ( -2.964 -2.964 -13.729) 14.354 13.429 ( 2.542 2.542 -0.541) 3.635 13.505 ( -4.701 -4.701 -1.392) 6.792 13.630 ( 1.597 1.597 -14.357) 14.534 13.648 ( -0.788 -0.788 -4.815) 4.942 13.741 ( 3.357 3.357 -17.392) 18.028 13.982 ( -2.772 -2.772 -19.306) 19.700 14.037 ( 2.915 2.915 -10.438) 11.222 14.085 ( -0.221 -0.221 -18.457) 18.460 14.320 ( 9.027 9.027 -4.818) 13.645 14.490 ( -2.205 -2.205 -12.518) 12.901 14.492 ( 6.245 6.245 -21.456) 23.203 15.412 ( -3.557 -3.557 0.412) 5.048 15.542 ( -7.464 -7.464 -2.700) 10.895 15.731 ( -3.448 -3.448 5.833) 7.602 15.806 ( -4.531 -4.531 2.924) 7.043 15.919 ( -5.586 -5.586 3.686) 8.718 16.099 ( 1.063 1.063 -3.251) 3.582 16.313 ( -1.837 -1.837 2.505) 3.609 16.453 ( 2.872 2.872 -2.666) 4.859 16.536 ( 9.438 9.438 4.117) 13.967 16.701 ( 8.777 8.777 -3.061) 12.785 16.874 ( 11.283 11.283 7.960) 17.832 17.323 ( 4.431 4.431 -12.067) 13.597 18.116 ( 2.619 2.619 -0.805) 3.791 18.129 ( 2.895 2.895 -2.304) 4.699 18.711 ( -3.972 -3.972 5.491) 7.855 18.762 ( -2.613 -2.613 3.120) 4.836 18.985 ( 2.426 2.426 6.046) 6.952 19.545 ( -1.987 -1.987 -18.682) 18.892 21.799 ( 1.544 1.544 -1.456) 2.624 21.838 ( 2.932 2.932 -3.313) 5.307 21.924 ( 0.717 0.717 -6.533) 6.611 22.001 ( 5.092 5.092 -10.578) 12.797 22.800 ( -0.698 -0.698 8.943) 8.998 23.250 ( 0.538 0.538 -10.605) 10.632 24.255 ( -6.749 -6.749 4.286) 10.462 24.461 ( -10.086 -10.086 -5.885) 15.429 ======================= Grid point 205 (46/60) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.139 ( 28.793 -5.760 28.142) 40.672 4.611 ( 25.000 0.120 4.631) 25.426 5.028 ( 7.529 -10.449 -1.918) 13.021 5.394 ( 19.320 5.222 -8.085) 21.585 5.771 ( -0.319 3.331 3.990) 5.208 5.892 ( 3.572 -3.155 7.191) 8.627 6.646 ( 1.937 15.746 -1.941) 15.983 6.774 ( 7.942 12.454 -4.229) 15.365 7.230 ( 6.461 4.084 43.112) 43.784 7.567 ( -8.504 3.991 27.119) 28.700 8.092 ( 2.542 -8.188 6.770) 10.925 8.275 ( 0.851 2.645 -5.683) 6.326 8.624 ( -8.612 -9.816 3.492) 13.518 8.684 ( -8.326 -2.012 3.465) 9.240 8.930 ( -7.097 2.750 -11.437) 13.738 8.982 ( -13.447 -21.588 -3.041) 25.614 9.699 ( 4.963 4.981 46.359) 46.889 10.239 ( -7.656 3.510 40.576) 41.440 10.355 ( -9.235 9.745 19.088) 23.336 10.574 ( -8.188 6.143 17.123) 19.949 11.008 ( 0.519 2.815 26.319) 26.474 11.201 ( -4.269 8.080 11.881) 14.989 11.304 ( -7.634 -0.466 21.277) 22.610 11.446 ( 0.433 -6.255 14.350) 15.660 11.635 ( 5.208 -7.424 1.544) 9.199 11.761 ( 9.246 -1.809 -13.466) 16.435 11.851 ( 4.931 7.886 -1.601) 9.438 11.986 ( 5.887 3.444 0.638) 6.850 12.241 ( -3.224 -2.505 1.080) 4.224 12.275 ( 1.578 0.688 19.249) 19.325 12.637 ( -2.263 0.083 -5.247) 5.715 12.773 ( -0.862 2.764 -10.377) 10.773 12.827 ( -0.408 3.687 2.235) 4.331 12.964 ( -2.203 0.005 -16.306) 16.454 13.220 ( -4.553 -2.193 -7.413) 8.972 13.256 ( -13.720 2.471 -3.835) 14.458 13.427 ( -4.945 1.462 -1.084) 5.269 13.562 ( -5.317 3.389 -1.823) 6.563 13.710 ( 5.265 -2.602 -22.519) 23.272 13.835 ( 2.279 -2.347 -25.503) 25.712 13.958 ( 1.451 -5.412 -23.388) 24.050 14.077 ( -0.515 -0.989 -24.246) 24.271 14.133 ( 5.372 -1.729 -5.402) 7.812 14.406 ( -2.240 -9.959 -7.225) 12.506 14.539 ( 9.197 5.747 -4.987) 11.937 14.716 ( 12.420 0.795 -9.614) 15.726 15.285 ( -6.457 -1.224 -1.024) 6.651 15.477 ( -0.378 -9.809 -0.712) 9.842 15.549 ( -12.382 -1.328 3.111) 12.836 15.713 ( -1.677 -5.847 4.653) 7.658 15.851 ( -2.166 -7.771 2.162) 8.351 16.053 ( -6.486 -12.069 -3.169) 14.063 16.342 ( 6.256 2.060 5.257) 8.427 16.537 ( 3.864 5.693 -2.207) 7.226 16.696 ( 5.792 10.280 5.702) 13.105 16.859 ( 4.692 8.545 -0.551) 9.764 17.193 ( 15.918 12.282 1.442) 20.157 17.451 ( 6.889 1.398 -10.450) 12.594 18.172 ( 4.512 4.639 -0.279) 6.477 18.212 ( 3.219 1.009 -3.278) 4.704 18.600 ( -6.290 -1.507 3.927) 7.566 18.664 ( -6.436 -0.609 2.632) 6.980 19.057 ( 4.096 -0.086 4.025) 5.743 19.463 ( -5.782 -4.738 -13.380) 15.327 21.820 ( 0.828 4.079 -2.190) 4.703 21.906 ( -1.155 3.581 -5.644) 6.783 21.972 ( 8.613 1.491 -1.998) 8.966 22.189 ( 10.810 4.251 -11.804) 16.561 22.769 ( -1.639 -1.317 7.387) 7.680 23.260 ( -0.715 -2.202 -11.196) 11.433 24.038 ( -12.100 -3.959 0.385) 12.737 24.222 ( -10.944 -9.769 -3.025) 14.979 ======================= Grid point 206 (47/60) ======================= q-point: ( 0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.818 ( 31.533 -19.194 18.601) 41.337 5.041 ( 12.843 -26.416 2.839) 29.510 5.167 ( 4.145 -20.825 3.838) 21.577 5.503 ( -22.334 -12.057 15.062) 29.514 5.787 ( 15.513 1.026 -7.013) 17.056 5.969 ( -0.506 3.261 -3.703) 4.960 6.651 ( 2.028 20.113 2.962) 20.431 6.784 ( -6.746 19.827 -1.062) 20.970 7.329 ( 2.265 2.366 32.830) 32.993 7.395 ( -5.613 2.647 31.286) 31.896 8.232 ( 9.496 -4.332 6.659) 12.381 8.351 ( 3.168 -0.342 -2.502) 4.051 8.501 ( -0.519 4.110 0.753) 4.211 8.642 ( -0.555 -6.325 -0.583) 6.376 8.732 ( -7.578 4.645 -5.073) 10.234 8.792 ( -5.520 -9.659 -5.214) 12.286 9.773 ( 3.259 10.157 33.435) 35.095 9.947 ( -13.796 11.236 27.892) 33.084 10.293 ( 2.072 9.462 23.170) 25.113 10.404 ( -7.306 6.334 29.350) 30.902 11.018 ( 1.349 2.341 28.137) 28.267 11.093 ( -5.764 0.257 25.069) 25.725 11.226 ( 3.208 5.539 24.598) 25.417 11.361 ( -7.246 0.921 26.682) 27.663 11.802 ( 7.504 -2.894 -5.909) 9.980 11.929 ( -3.260 1.962 -2.094) 4.343 11.967 ( 6.697 -0.904 -14.894) 16.355 12.004 ( 3.165 1.622 -8.730) 9.427 12.309 ( 8.032 3.516 5.979) 10.612 12.404 ( 10.383 5.748 7.768) 14.184 12.549 ( -7.244 5.416 0.894) 9.089 12.727 ( -11.285 0.660 0.781) 11.331 12.792 ( 0.089 1.780 -9.986) 10.144 12.875 ( -7.812 1.947 -19.628) 21.215 13.021 ( 4.617 2.669 -5.618) 7.746 13.164 ( -5.712 0.308 1.330) 5.872 13.340 ( 0.110 0.738 -6.084) 6.130 13.430 ( -6.471 2.889 -2.441) 7.496 13.810 ( 3.433 -3.554 -24.895) 25.381 13.850 ( -0.389 -5.395 -26.011) 26.567 14.007 ( 2.457 0.254 -29.114) 29.218 14.055 ( -1.735 0.427 -28.926) 28.981 14.244 ( 4.909 -8.609 -3.014) 10.359 14.339 ( -3.831 -12.183 -3.365) 13.207 14.786 ( 12.665 -6.034 -1.176) 14.078 14.921 ( 4.212 -6.245 -2.902) 8.072 15.172 ( -3.712 1.024 0.277) 3.861 15.242 ( -11.714 0.167 1.057) 11.763 15.565 ( 5.811 -7.546 -0.392) 9.532 15.682 ( -3.342 -6.576 1.459) 7.519 15.815 ( 0.645 -7.712 2.193) 8.044 15.901 ( -6.451 -11.114 -0.093) 12.851 16.502 ( 6.811 1.850 1.743) 7.270 16.582 ( -0.419 5.887 -0.865) 5.965 16.802 ( 4.414 9.915 5.003) 11.951 16.881 ( -2.225 7.809 2.424) 8.474 17.471 ( 9.224 6.244 -2.950) 11.522 17.560 ( 1.409 0.749 -6.907) 7.089 18.288 ( 5.402 1.829 -2.204) 6.114 18.317 ( 8.137 4.011 1.391) 9.178 18.445 ( -8.049 1.182 -0.546) 8.153 18.500 ( -8.453 1.755 3.014) 9.145 19.162 ( 5.944 -2.332 -0.443) 6.400 19.311 ( -7.735 -4.436 -6.479) 11.022 21.842 ( 1.228 4.674 -3.502) 5.968 21.873 ( -1.644 4.556 -4.766) 6.795 22.186 ( 10.108 1.726 0.107) 10.255 22.332 ( -0.966 3.548 -4.339) 5.687 22.832 ( 10.470 -2.266 -3.686) 11.329 23.128 ( -12.706 -2.962 -10.337) 16.645 23.886 ( 0.314 -4.512 -1.921) 4.914 24.007 ( -8.948 -7.345 -1.947) 11.740 ======================= Grid point 212 (48/60) ======================= q-point: ( 0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.159 ( 7.488 7.488 25.656) 27.756 4.540 ( -4.631 -4.631 -0.508) 6.569 4.815 ( -6.748 -6.748 8.050) 12.486 5.580 ( 10.094 10.094 -16.084) 21.506 5.629 ( -14.746 -14.746 15.092) 25.742 5.967 ( 5.948 5.948 -1.735) 8.589 6.818 ( 4.918 4.918 10.567) 12.651 7.125 ( 11.580 11.580 -6.620) 17.664 7.325 ( 3.031 3.031 35.243) 35.503 7.645 ( 0.123 0.123 29.507) 29.508 7.929 ( -3.379 -3.379 11.950) 12.870 8.359 ( 4.614 4.614 -13.007) 14.553 8.371 ( -8.466 -8.466 6.309) 13.533 8.607 ( -6.685 -6.685 -1.954) 9.654 8.755 ( 4.691 4.691 3.764) 7.627 8.994 ( 0.312 0.312 -14.052) 14.059 9.809 ( 5.526 5.526 49.456) 50.070 10.259 ( -2.894 -2.894 51.767) 51.929 10.426 ( -0.561 -0.561 27.479) 27.491 10.619 ( -3.477 -3.477 1.219) 5.066 11.076 ( 1.916 1.916 35.104) 35.208 11.277 ( -1.149 -1.149 28.392) 28.438 11.388 ( 3.811 3.811 -2.122) 5.792 11.481 ( 7.654 7.654 6.999) 12.890 11.511 ( 0.319 0.319 3.854) 3.881 11.737 ( 1.444 1.444 -13.995) 14.144 11.986 ( 2.781 2.781 24.819) 25.128 12.120 ( 9.636 9.636 -20.984) 25.021 12.185 ( 0.290 0.290 -4.654) 4.672 12.364 ( 6.622 6.622 19.497) 21.629 12.615 ( -1.264 -1.264 -7.863) 8.063 12.805 ( 0.669 0.669 -20.722) 20.744 12.908 ( 2.321 2.321 9.647) 10.190 12.958 ( -0.381 -0.381 -12.353) 12.365 13.174 ( -1.226 -1.226 -11.418) 11.549 13.300 ( -3.952 -3.952 9.106) 10.685 13.395 ( -3.443 -3.443 -4.657) 6.737 13.585 ( -3.396 -3.396 -6.603) 8.165 13.637 ( -1.469 -1.469 -22.010) 22.108 13.766 ( -5.423 -5.423 -22.459) 23.732 13.869 ( 1.712 1.712 -26.877) 26.986 14.068 ( -0.234 -0.234 -20.958) 20.961 14.114 ( 0.228 0.228 -13.116) 13.120 14.156 ( -11.999 -11.999 -3.932) 17.420 14.684 ( 3.207 3.207 -3.143) 5.518 14.699 ( 0.067 0.067 -10.877) 10.877 15.246 ( -3.237 -3.237 -0.097) 4.579 15.306 ( -2.885 -2.885 -1.122) 4.231 15.514 ( -6.210 -6.210 3.635) 9.505 15.546 ( -7.587 -7.587 2.096) 10.932 15.708 ( -0.593 -0.593 4.929) 4.999 15.889 ( -4.865 -4.865 -2.468) 7.310 16.372 ( 1.552 1.552 9.169) 9.428 16.629 ( 1.972 1.972 -3.650) 4.594 16.889 ( 7.486 7.486 5.908) 12.124 17.006 ( 4.013 4.013 4.121) 7.014 17.473 ( 11.318 11.318 -6.553) 17.296 17.504 ( 3.646 3.646 -11.357) 12.473 18.268 ( 4.049 4.049 -1.714) 5.977 18.275 ( 5.232 5.232 -0.676) 7.431 18.566 ( -1.833 -1.833 4.441) 5.142 18.624 ( -3.170 -3.170 1.798) 4.831 19.064 ( 0.952 0.952 2.160) 2.545 19.336 ( -6.641 -6.641 -9.770) 13.552 21.923 ( 3.918 3.918 1.383) 5.711 21.987 ( 2.469 2.469 -0.949) 3.618 22.027 ( 5.907 5.907 -5.071) 9.772 22.347 ( 9.955 9.955 -16.590) 21.758 22.712 ( -3.780 -3.780 8.463) 10.010 23.198 ( -4.000 -4.000 -13.522) 14.658 23.914 ( -8.040 -8.040 -0.488) 11.380 23.976 ( -10.728 -10.728 -3.897) 15.664 ======================= Grid point 213 (49/60) ======================= q-point: ( 0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.359 ( 7.493 -20.868 8.987) 23.925 4.456 ( -3.325 -24.896 1.360) 25.154 4.838 ( 11.187 -8.952 22.419) 26.606 5.228 ( -21.254 -13.634 22.264) 33.665 5.805 ( 10.517 0.360 -17.426) 20.357 5.985 ( -4.845 -1.724 -11.700) 12.780 6.967 ( 9.250 11.803 8.510) 17.243 7.151 ( -6.156 9.587 -2.141) 11.593 7.354 ( 1.467 -0.363 31.004) 31.041 7.477 ( -10.291 5.917 33.238) 35.294 8.059 ( 9.985 -12.009 14.171) 21.089 8.232 ( -6.123 -9.320 11.346) 15.909 8.509 ( 8.732 3.717 -13.453) 16.464 8.617 ( 1.448 3.856 -8.471) 9.419 8.869 ( 4.464 13.274 1.570) 14.093 8.946 ( -3.500 9.477 -8.001) 12.887 9.937 ( 6.706 6.170 47.064) 47.938 10.113 ( -9.292 3.817 48.790) 49.813 10.424 ( 1.546 1.589 19.883) 20.007 10.503 ( -5.524 0.272 13.070) 14.192 11.123 ( 2.949 6.727 34.728) 35.496 11.206 ( -4.669 8.614 28.967) 30.580 11.397 ( 1.215 10.712 8.968) 14.024 11.461 ( -3.490 8.348 9.163) 12.877 11.755 ( 10.174 -2.078 2.155) 10.605 11.816 ( 3.366 -6.195 -5.489) 8.935 12.047 ( 3.323 4.771 0.013) 5.814 12.135 ( -3.727 10.529 -14.269) 18.120 12.408 ( 13.985 5.760 -6.972) 16.655 12.545 ( 9.261 6.640 11.562) 16.234 12.600 ( -1.122 0.970 -3.529) 3.828 12.782 ( -7.583 2.225 -1.443) 8.033 12.859 ( -1.005 5.819 -8.491) 10.342 12.961 ( -6.537 4.095 -6.170) 9.878 13.097 ( -0.850 5.037 -0.909) 5.188 13.191 ( -2.232 1.819 -11.738) 12.086 13.313 ( 0.810 -3.310 -3.951) 5.217 13.457 ( -7.748 -3.018 -7.975) 11.522 13.696 ( 3.303 -9.805 -17.024) 19.921 13.735 ( 1.259 -3.519 -22.933) 23.235 13.867 ( -1.305 -12.445 -18.556) 22.381 13.934 ( -6.818 -18.129 -8.481) 21.144 14.102 ( 2.078 -0.960 -21.177) 21.301 14.127 ( 0.130 -0.530 -20.027) 20.035 14.649 ( 0.377 -7.609 -3.854) 8.538 14.714 ( -3.367 -11.488 -2.507) 12.231 15.203 ( 0.400 2.658 0.453) 2.725 15.269 ( -5.329 2.521 1.398) 6.059 15.390 ( 3.865 -5.599 1.122) 6.895 15.491 ( -3.511 -9.102 2.656) 10.110 15.741 ( 2.731 0.503 2.470) 3.717 15.807 ( -3.313 -1.004 -0.205) 3.467 16.450 ( 5.971 -5.577 6.655) 10.538 16.589 ( -5.464 -5.093 0.380) 7.479 17.006 ( 3.418 8.158 5.551) 10.443 17.040 ( -0.069 6.222 5.959) 8.615 17.586 ( 3.630 2.912 -12.675) 13.502 17.618 ( 1.792 4.410 -11.910) 12.826 18.370 ( 5.739 5.669 0.553) 8.086 18.412 ( 6.868 4.611 1.273) 8.370 18.496 ( -5.175 3.321 2.015) 6.471 18.538 ( -4.725 1.448 2.624) 5.596 19.105 ( 3.136 -2.507 -1.140) 4.174 19.200 ( -5.671 -5.322 -5.199) 9.354 21.974 ( 1.553 6.910 0.674) 7.115 21.997 ( -0.559 6.687 -0.042) 6.711 22.232 ( 11.178 2.570 -1.518) 11.570 22.440 ( -5.939 6.157 -4.605) 9.715 22.753 ( 11.664 -5.006 -7.190) 14.588 23.039 ( -11.757 -5.347 -13.721) 18.843 23.767 ( -2.405 -6.062 -2.992) 7.175 23.814 ( -5.469 -9.452 -3.189) 11.376 ======================= Grid point 220 (50/60) ======================= q-point: ( 0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( -7.764 -7.764 4.460) 11.852 4.064 ( -10.514 -10.514 2.685) 15.110 4.782 ( 3.288 3.288 28.591) 28.966 4.949 ( -11.483 -11.483 26.957) 31.470 5.834 ( 2.652 2.652 -19.615) 19.970 5.913 ( -4.260 -4.260 -17.521) 18.528 7.132 ( 2.983 2.983 1.231) 4.394 7.184 ( -2.684 -2.684 1.451) 4.064 7.420 ( 8.956 8.956 38.083) 40.134 7.607 ( -1.214 -1.214 33.314) 33.358 7.851 ( -0.767 -0.767 17.747) 17.780 8.019 ( -10.492 -10.492 17.200) 22.715 8.643 ( 6.343 6.343 -21.770) 23.546 8.704 ( 1.479 1.479 -21.040) 21.144 9.105 ( 6.607 6.607 3.782) 10.080 9.114 ( 5.124 5.124 1.239) 7.352 10.053 ( 4.676 4.676 51.999) 52.418 10.128 ( -1.897 -1.897 54.936) 55.002 10.420 ( -0.254 -0.254 18.524) 18.528 10.450 ( -3.047 -3.047 12.851) 13.554 11.268 ( 5.997 5.997 38.520) 39.443 11.332 ( 1.380 1.380 36.969) 37.020 11.567 ( 3.687 3.687 -6.500) 8.333 11.591 ( 1.990 1.990 -7.716) 8.213 11.718 ( -1.788 -1.788 -1.707) 3.051 11.726 ( -1.395 -1.395 9.031) 9.245 12.285 ( 16.267 16.267 3.691) 23.299 12.400 ( 9.820 9.820 -13.068) 19.070 12.552 ( 7.738 7.738 -14.928) 18.509 12.621 ( 3.185 3.185 8.065) 9.237 12.669 ( 2.668 2.668 2.341) 4.441 12.767 ( -3.939 -3.939 -2.913) 6.287 13.027 ( -2.025 -2.025 -10.227) 10.620 13.029 ( 1.259 1.259 10.783) 10.929 13.076 ( 1.462 1.462 -15.921) 16.055 13.189 ( -2.616 -2.616 0.039) 3.700 13.297 ( 0.561 0.561 -25.659) 25.671 13.303 ( -5.165 -5.165 0.478) 7.320 13.457 ( -8.088 -8.088 -20.681) 23.633 13.469 ( -15.992 -15.992 3.778) 22.929 13.695 ( -0.414 -0.414 -19.611) 19.620 13.736 ( -4.188 -4.188 -22.724) 23.483 14.131 ( 2.592 2.592 -23.244) 23.531 14.152 ( 1.068 1.068 -27.351) 27.393 14.480 ( -5.580 -5.580 -1.154) 7.975 14.500 ( -7.180 -7.180 0.558) 10.170 15.290 ( 3.426 3.426 1.105) 4.970 15.321 ( 2.181 2.181 2.331) 3.866 15.350 ( -1.457 -1.457 1.426) 2.506 15.361 ( -1.305 -1.305 3.082) 3.592 15.771 ( 1.582 1.582 1.128) 2.505 15.795 ( -0.624 -0.624 0.175) 0.900 16.347 ( -1.814 -1.814 7.151) 7.597 16.424 ( -8.029 -8.029 4.021) 12.046 17.126 ( 2.903 2.903 5.193) 6.619 17.132 ( 2.183 2.183 5.543) 6.345 17.639 ( 2.079 2.079 -15.426) 15.704 17.665 ( 0.053 0.053 -15.614) 15.614 18.490 ( 4.487 4.487 2.672) 6.885 18.507 ( 3.923 3.923 2.019) 5.904 18.547 ( -0.542 -0.542 2.793) 2.896 18.548 ( 0.242 0.242 2.709) 2.731 19.073 ( -0.183 -0.183 -2.499) 2.512 19.106 ( -3.210 -3.210 -3.889) 5.978 22.092 ( 3.772 3.772 5.145) 7.411 22.116 ( 2.373 2.373 7.117) 7.869 22.326 ( 7.305 7.305 -3.528) 10.917 22.494 ( -5.201 -5.201 3.323) 8.071 22.714 ( 5.572 5.572 -20.824) 22.265 22.892 ( -8.485 -8.485 -17.579) 21.284 23.658 ( -3.283 -3.283 -3.787) 5.992 23.663 ( -3.713 -3.713 -4.167) 6.703 ======================= Grid point 245 (51/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 4.558 ( 0.000 0.000 0.000) 0.000 4.558 ( -0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.742 ( -0.000 0.000 0.000) 0.000 6.143 ( 0.000 0.000 0.000) 0.000 6.143 ( 0.000 0.000 0.000) 0.000 7.836 ( -0.000 -0.000 -17.475) 17.475 7.836 ( 0.000 0.000 17.475) 17.475 8.229 ( -0.000 0.000 0.000) 0.000 8.229 ( 0.000 0.000 0.000) 0.000 9.153 ( 0.000 0.000 0.000) 0.000 9.153 ( 0.000 0.000 0.000) 0.000 9.481 ( 0.000 0.000 -15.333) 15.333 9.481 ( 0.000 0.000 15.333) 15.333 10.485 ( -0.000 0.000 -47.220) 47.220 10.485 ( -0.000 0.000 47.220) 47.220 10.780 ( 0.000 0.000 -27.248) 27.248 10.780 ( 0.000 0.000 27.248) 27.248 10.894 ( 0.000 0.000 -0.000) 0.000 10.894 ( 0.000 0.000 -0.000) 0.000 11.343 ( 0.000 0.000 0.000) 0.000 11.343 ( -0.000 -0.000 0.000) 0.000 11.947 ( 0.000 0.000 -63.235) 63.235 11.947 ( 0.000 0.000 63.235) 63.235 12.436 ( 0.000 0.000 0.000) 0.000 12.436 ( 0.000 -0.000 0.000) 0.000 12.519 ( 0.000 0.000 -0.000) 0.000 12.519 ( -0.000 0.000 -0.000) 0.000 12.598 ( 0.000 0.000 -48.585) 48.585 12.598 ( 0.000 0.000 48.585) 48.585 12.738 ( 0.000 0.000 0.000) 0.000 12.738 ( -0.000 -0.000 0.000) 0.000 13.050 ( 0.000 0.000 -18.387) 18.387 13.050 ( 0.000 0.000 18.387) 18.387 13.494 ( -0.000 0.000 -0.000) 0.000 13.494 ( -0.000 0.000 -0.000) 0.000 13.758 ( 0.000 0.000 -12.322) 12.322 13.758 ( 0.000 0.000 12.322) 12.322 13.853 ( 0.000 -0.000 -16.556) 16.556 13.853 ( 0.000 0.000 16.556) 16.556 13.918 ( -0.000 0.000 0.000) 0.000 13.918 ( 0.000 0.000 0.000) 0.000 14.169 ( 0.000 0.000 -17.810) 17.810 14.169 ( -0.000 0.000 17.810) 17.810 15.657 ( 0.000 0.000 -11.298) 11.298 15.657 ( 0.000 0.000 11.298) 11.298 15.784 ( 0.000 -0.000 0.000) 0.000 15.784 ( 0.000 0.000 0.000) 0.000 16.116 ( 0.000 0.000 0.000) 0.000 16.116 ( -0.000 -0.000 0.000) 0.000 16.249 ( 0.000 0.000 -9.391) 9.391 16.249 ( -0.000 -0.000 9.391) 9.391 16.461 ( 0.000 0.000 0.000) 0.000 16.461 ( 0.000 0.000 0.000) 0.000 16.941 ( 0.000 0.000 -13.222) 13.222 16.941 ( 0.000 0.000 13.222) 13.222 18.052 ( 0.000 0.000 0.000) 0.000 18.052 ( 0.000 0.000 0.000) 0.000 18.874 ( -0.000 0.000 0.000) 0.000 18.874 ( -0.000 0.000 0.000) 0.000 19.146 ( 0.000 0.000 -16.388) 16.388 19.146 ( 0.000 0.000 16.388) 16.388 21.785 ( 0.000 0.000 0.000) 0.000 21.785 ( -0.000 0.000 0.000) 0.000 21.786 ( 0.000 0.000 -0.000) 0.000 21.786 ( 0.000 0.000 -0.000) 0.000 23.014 ( 0.000 0.000 -10.692) 10.692 23.014 ( -0.000 -0.000 10.692) 10.692 24.548 ( 0.000 -0.000 -6.883) 6.883 24.548 ( 0.000 0.000 6.883) 6.883 ======================= Grid point 247 (52/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( 21.229 0.000 0.000) 21.229 4.039 ( 28.427 0.000 0.000) 28.427 4.683 ( 11.271 0.000 0.000) 11.271 4.744 ( 16.494 0.000 0.000) 16.494 5.764 ( 1.676 0.000 0.000) 1.676 5.855 ( 9.734 0.000 0.000) 9.734 6.216 ( 5.967 0.000 0.000) 5.967 6.277 ( 11.512 0.000 0.000) 11.512 7.834 ( -0.446 0.000 -0.000) 0.446 7.838 ( 0.081 0.000 0.000) 0.081 8.192 ( -2.990 0.000 0.000) 2.990 8.244 ( 0.748 0.000 0.000) 0.748 8.947 ( -16.418 0.000 0.000) 16.418 9.054 ( -8.478 0.000 0.000) 8.478 9.214 ( -20.052 0.000 0.000) 20.052 9.462 ( -3.176 0.000 0.000) 3.176 10.320 ( -16.875 0.000 0.000) 16.875 10.509 ( -2.602 0.000 0.000) 2.602 10.662 ( 1.434 0.000 0.000) 1.434 10.841 ( 6.356 0.000 -0.000) 6.356 11.047 ( 10.462 0.000 -0.000) 10.462 11.150 ( 13.044 0.000 0.000) 13.044 11.287 ( -3.342 0.000 0.000) 3.342 11.354 ( 2.366 0.000 0.000) 2.366 11.907 ( -2.660 0.000 0.000) 2.660 11.913 ( -2.900 0.000 -0.000) 2.900 12.247 ( -17.797 0.000 -0.000) 17.797 12.396 ( -8.159 0.000 0.000) 8.159 12.400 ( -9.937 0.000 0.000) 9.937 12.458 ( -2.305 0.000 -0.000) 2.305 12.517 ( -1.388 0.000 0.000) 1.388 12.583 ( -3.689 0.000 -0.000) 3.689 12.685 ( 6.133 0.000 0.000) 6.133 12.960 ( 10.912 0.000 -0.000) 10.912 13.022 ( -2.842 0.000 0.000) 2.842 13.026 ( -1.847 0.000 -0.000) 1.847 13.438 ( -5.962 0.000 -0.000) 5.962 13.519 ( 2.175 0.000 -0.000) 2.175 13.658 ( -5.854 0.000 -0.000) 5.854 13.721 ( -4.193 0.000 0.000) 4.193 13.783 ( -6.723 0.000 0.000) 6.723 13.785 ( -2.263 0.000 -0.000) 2.263 14.105 ( 13.373 0.000 0.000) 13.373 14.177 ( 1.919 0.000 0.000) 1.919 14.190 ( 18.618 0.000 0.000) 18.618 14.243 ( 6.349 0.000 -0.000) 6.349 15.478 ( -10.024 0.000 0.000) 10.024 15.652 ( -0.619 0.000 0.000) 0.619 15.792 ( 0.025 0.000 0.000) 0.025 15.880 ( 1.453 0.000 0.000) 1.453 15.906 ( -10.702 0.000 0.000) 10.702 16.214 ( 8.969 0.000 0.000) 8.969 16.279 ( 1.615 0.000 0.000) 1.615 16.449 ( -0.050 0.000 -0.000) 0.050 16.454 ( -0.514 0.000 0.000) 0.514 16.487 ( 13.205 0.000 0.000) 13.205 17.000 ( 6.128 0.000 -0.000) 6.128 17.021 ( 7.243 0.000 0.000) 7.243 18.060 ( 1.057 0.000 0.000) 1.057 18.098 ( 3.451 0.000 0.000) 3.451 18.807 ( -5.746 0.000 0.000) 5.746 18.834 ( -3.741 0.000 0.000) 3.741 19.163 ( 1.017 0.000 0.000) 1.017 19.206 ( 4.702 0.000 -0.000) 4.702 21.777 ( -0.777 0.000 0.000) 0.777 21.778 ( -0.582 0.000 -0.000) 0.582 21.818 ( 3.733 0.000 0.000) 3.733 21.849 ( 5.734 0.000 0.000) 5.734 22.979 ( -3.171 0.000 -0.000) 3.171 23.059 ( 3.893 0.000 0.000) 3.893 24.409 ( -12.288 0.000 0.000) 12.288 24.482 ( -6.011 0.000 -0.000) 6.011 ======================= Grid point 249 (53/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.559 ( 34.053 0.000 0.000) 34.053 4.805 ( 40.229 0.000 -0.000) 40.229 5.002 ( 17.481 0.000 0.000) 17.481 5.196 ( 23.894 0.000 0.000) 23.894 5.783 ( -0.870 0.000 0.000) 0.870 6.089 ( 9.987 0.000 0.000) 9.987 6.308 ( -0.783 0.000 0.000) 0.783 6.532 ( 8.612 0.000 0.000) 8.612 7.789 ( -4.234 0.000 -0.000) 4.234 7.827 ( -1.653 0.000 0.000) 1.653 8.162 ( 2.212 0.000 0.000) 2.212 8.216 ( -3.394 0.000 0.000) 3.394 8.588 ( -14.459 0.000 0.000) 14.459 8.823 ( -12.737 0.000 0.000) 12.737 8.866 ( -8.324 0.000 0.000) 8.324 9.302 ( -11.521 0.000 0.000) 11.521 9.918 ( -17.976 0.000 0.000) 17.976 10.279 ( -17.977 0.000 0.000) 17.977 10.763 ( 6.214 0.000 0.000) 6.214 10.941 ( 1.348 0.000 -0.000) 1.348 11.215 ( 4.473 0.000 -0.000) 4.473 11.335 ( 8.114 0.000 -0.000) 8.114 11.391 ( 9.137 0.000 0.000) 9.137 11.489 ( 8.612 0.000 0.000) 8.612 11.846 ( -2.537 0.000 0.000) 2.537 11.862 ( -1.248 0.000 -0.000) 1.248 11.876 ( -13.227 0.000 0.000) 13.227 12.162 ( -10.968 0.000 0.000) 10.968 12.244 ( -5.053 0.000 0.000) 5.053 12.247 ( -13.673 0.000 0.000) 13.673 12.420 ( -1.387 0.000 0.000) 1.387 12.751 ( 9.459 0.000 0.000) 9.459 12.841 ( 7.443 0.000 -0.000) 7.443 12.960 ( -1.830 0.000 0.000) 1.830 12.985 ( -1.836 0.000 -0.000) 1.836 13.148 ( 6.409 0.000 -0.000) 6.409 13.196 ( -16.146 0.000 0.000) 16.146 13.540 ( -4.952 0.000 0.000) 4.952 13.560 ( -6.902 0.000 0.000) 6.902 13.582 ( -3.279 0.000 0.000) 3.279 13.611 ( -4.812 0.000 -0.000) 4.812 13.739 ( -2.363 0.000 -0.000) 2.363 14.265 ( 5.524 0.000 0.000) 5.524 14.339 ( 6.103 0.000 -0.000) 6.103 14.488 ( 17.411 0.000 0.000) 17.411 14.611 ( 19.209 0.000 0.000) 19.209 15.291 ( -7.234 0.000 0.000) 7.234 15.605 ( -13.967 0.000 0.000) 13.967 15.634 ( -0.683 0.000 0.000) 0.683 15.845 ( -3.751 0.000 0.000) 3.751 15.874 ( 3.742 0.000 0.000) 3.742 16.244 ( -4.773 0.000 0.000) 4.773 16.385 ( 5.194 0.000 -0.000) 5.194 16.447 ( -0.048 0.000 0.000) 0.048 16.523 ( 6.613 0.000 0.000) 6.613 16.720 ( 7.423 0.000 0.000) 7.423 17.221 ( 13.708 0.000 0.000) 13.708 17.230 ( 11.536 0.000 -0.000) 11.536 18.121 ( 5.240 0.000 0.000) 5.240 18.166 ( 2.636 0.000 0.000) 2.636 18.645 ( -9.308 0.000 0.000) 9.308 18.713 ( -7.548 0.000 0.000) 7.548 19.178 ( 0.600 0.000 0.000) 0.600 19.287 ( 1.616 0.000 -0.000) 1.616 21.758 ( -0.881 0.000 -0.000) 0.881 21.762 ( -0.822 0.000 0.000) 0.822 21.974 ( 10.961 0.000 0.000) 10.961 22.015 ( 9.215 0.000 0.000) 9.215 22.889 ( -4.704 0.000 0.000) 4.704 23.143 ( 2.209 0.000 0.000) 2.209 24.089 ( -15.010 0.000 0.000) 15.010 24.304 ( -10.168 0.000 0.000) 10.168 ======================= Grid point 251 (54/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.313 ( 32.608 0.000 0.000) 32.608 5.371 ( 15.359 0.000 0.000) 15.359 5.599 ( 28.010 0.000 -0.000) 28.010 5.665 ( 16.692 0.000 0.000) 16.692 5.704 ( -4.964 0.000 0.000) 4.964 6.052 ( -23.364 0.000 0.000) 23.364 6.219 ( 4.069 0.000 0.000) 4.069 6.482 ( -14.025 0.000 0.000) 14.025 7.713 ( -0.972 0.000 0.000) 0.972 7.756 ( -4.090 0.000 0.000) 4.090 8.240 ( 8.342 0.000 0.000) 8.342 8.291 ( 7.434 0.000 0.000) 7.434 8.400 ( -4.132 0.000 0.000) 4.132 8.520 ( -15.226 0.000 0.000) 15.226 8.857 ( 5.117 0.000 0.000) 5.117 9.037 ( -11.451 0.000 0.000) 11.451 9.666 ( -2.742 0.000 0.000) 2.742 9.853 ( -18.197 0.000 0.000) 18.197 10.885 ( 4.514 0.000 0.000) 4.514 10.942 ( -1.015 0.000 -0.000) 1.015 11.284 ( 3.898 0.000 -0.000) 3.898 11.433 ( -9.770 0.000 0.000) 9.770 11.498 ( 4.886 0.000 -0.000) 4.886 11.521 ( 2.609 0.000 0.000) 2.609 11.845 ( 3.114 0.000 -0.000) 3.114 11.867 ( 1.950 0.000 0.000) 1.950 11.967 ( 15.339 0.000 0.000) 15.339 11.968 ( -6.697 0.000 -0.000) 6.697 11.993 ( -9.481 0.000 0.000) 9.481 12.170 ( -3.604 0.000 0.000) 3.604 12.429 ( 4.187 0.000 0.000) 4.187 12.705 ( -19.393 0.000 -0.000) 19.393 12.902 ( 3.023 0.000 0.000) 3.023 12.947 ( -1.843 0.000 0.000) 1.843 13.016 ( 8.999 0.000 -0.000) 8.999 13.086 ( 6.969 0.000 -0.000) 6.969 13.204 ( -2.084 0.000 0.000) 2.084 13.273 ( -13.862 0.000 0.000) 13.862 13.476 ( -0.064 0.000 0.000) 0.064 13.524 ( -3.517 0.000 -0.000) 3.517 13.628 ( 2.541 0.000 0.000) 2.541 13.684 ( -2.660 0.000 -0.000) 2.660 14.374 ( 3.944 0.000 0.000) 3.944 14.411 ( 0.728 0.000 -0.000) 0.728 14.886 ( 18.886 0.000 0.000) 18.886 14.958 ( 12.564 0.000 0.000) 12.564 15.153 ( -6.657 0.000 0.000) 6.657 15.272 ( -17.045 0.000 0.000) 17.045 15.649 ( 2.636 0.000 0.000) 2.636 15.742 ( -5.350 0.000 0.000) 5.350 15.979 ( 5.887 0.000 0.000) 5.887 16.116 ( -6.622 0.000 0.000) 6.622 16.442 ( 0.952 0.000 -0.000) 0.952 16.448 ( 0.049 0.000 0.000) 0.049 16.678 ( 6.896 0.000 0.000) 6.896 16.779 ( -1.667 0.000 -0.000) 1.667 17.456 ( 7.796 0.000 0.000) 7.796 17.477 ( 7.011 0.000 -0.000) 7.011 18.237 ( 5.373 0.000 0.000) 5.373 18.290 ( 10.087 0.000 0.000) 10.087 18.421 ( -10.874 0.000 -0.000) 10.874 18.518 ( -10.479 0.000 0.000) 10.479 19.204 ( 2.141 0.000 0.000) 2.141 19.265 ( -2.900 0.000 -0.000) 2.900 21.744 ( -0.263 0.000 -0.000) 0.263 21.747 ( -0.497 0.000 0.000) 0.497 22.204 ( 7.117 0.000 0.000) 7.117 22.217 ( 7.900 0.000 -0.000) 7.900 22.842 ( 3.147 0.000 0.000) 3.147 23.049 ( -11.400 0.000 -0.000) 11.400 23.922 ( 1.347 0.000 0.000) 1.347 24.074 ( -10.476 0.000 0.000) 10.476 ======================= Grid point 261 (55/60) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.156 ( 14.794 14.794 -9.696) 23.060 4.156 ( 14.794 14.794 9.696) 23.060 4.824 ( 9.741 9.741 -3.990) 14.342 4.824 ( 9.741 9.741 3.990) 14.342 5.854 ( 3.933 3.933 -6.396) 8.477 5.854 ( 3.933 3.933 6.396) 8.477 6.394 ( 12.079 12.079 -3.036) 17.350 6.394 ( 12.079 12.079 3.036) 17.350 7.847 ( 0.827 0.827 -13.853) 13.902 7.847 ( 0.827 0.827 13.853) 13.902 8.191 ( -2.446 -2.446 -2.963) 4.555 8.191 ( -2.446 -2.446 2.963) 4.555 8.906 ( -7.895 -7.895 -3.552) 11.716 8.906 ( -7.895 -7.895 3.552) 11.716 9.130 ( -15.368 -15.368 -10.398) 24.092 9.130 ( -15.368 -15.368 10.398) 24.092 10.445 ( -0.667 -0.667 -24.929) 24.947 10.445 ( -0.667 -0.667 24.929) 24.947 10.796 ( 4.855 4.855 -34.104) 34.789 10.796 ( 4.855 4.855 34.104) 34.789 11.192 ( 4.556 4.556 -7.924) 10.213 11.192 ( 4.556 4.556 7.924) 10.213 11.329 ( 3.358 3.358 -13.250) 14.075 11.329 ( 3.358 3.358 13.250) 14.075 11.870 ( -3.508 -3.508 -46.677) 46.940 11.870 ( -3.508 -3.508 46.677) 46.940 12.128 ( -11.301 -11.301 -18.901) 24.752 12.128 ( -11.301 -11.301 18.901) 24.752 12.442 ( -4.109 -4.109 -17.223) 18.176 12.442 ( -4.109 -4.109 17.223) 18.176 12.545 ( 2.785 2.785 -29.625) 29.885 12.545 ( 2.785 2.785 29.625) 29.885 12.855 ( 1.521 1.521 -33.795) 33.864 12.855 ( 1.521 1.521 33.795) 33.864 13.046 ( 1.143 1.143 -13.754) 13.849 13.046 ( 1.143 1.143 13.754) 13.849 13.474 ( -0.885 -0.885 -3.375) 3.600 13.474 ( -0.885 -0.885 3.375) 3.600 13.644 ( -3.567 -3.567 -8.214) 9.639 13.644 ( -3.567 -3.567 8.214) 9.639 13.769 ( -2.910 -2.910 -9.070) 9.960 13.769 ( -2.910 -2.910 9.070) 9.960 14.208 ( 0.524 0.524 -12.921) 12.942 14.208 ( 0.524 0.524 12.921) 12.942 14.274 ( 10.960 10.960 -0.410) 15.505 14.274 ( 10.960 10.960 0.410) 15.505 15.465 ( -5.678 -5.678 -3.675) 8.831 15.465 ( -5.678 -5.678 3.675) 8.831 15.822 ( -3.511 -3.511 -2.108) 5.395 15.822 ( -3.511 -3.511 2.108) 5.395 15.997 ( -2.718 -2.718 -3.632) 5.288 15.997 ( -2.718 -2.718 3.632) 5.288 16.388 ( 1.500 1.500 -3.306) 3.928 16.388 ( 1.500 1.500 3.306) 3.928 16.628 ( 10.241 10.241 -4.174) 15.073 16.628 ( 10.241 10.241 4.174) 15.073 17.075 ( 6.259 6.259 -11.279) 14.337 17.075 ( 6.259 6.259 11.279) 14.337 18.107 ( 2.331 2.331 -0.027) 3.296 18.107 ( 2.331 2.331 0.027) 3.296 18.784 ( -3.524 -3.524 -1.203) 5.127 18.784 ( -3.524 -3.524 1.203) 5.127 19.196 ( 0.894 0.894 -14.106) 14.162 19.196 ( 0.894 0.894 14.106) 14.162 21.816 ( 1.813 1.813 -0.240) 2.575 21.816 ( 1.813 1.813 0.240) 2.575 21.847 ( 3.170 3.170 -2.078) 4.941 21.847 ( 3.170 3.170 2.078) 4.941 23.017 ( -0.316 -0.316 -11.371) 11.379 23.017 ( -0.316 -0.316 11.371) 11.379 24.349 ( -8.578 -8.578 -4.812) 13.051 24.349 ( -8.578 -8.578 4.812) 13.051 ======================= Grid point 263 (56/60) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.521 ( 21.710 -2.521 0.000) 21.856 4.653 ( 26.004 -9.961 -0.000) 27.846 5.042 ( 12.381 2.467 0.000) 12.625 5.148 ( 17.255 -3.009 0.000) 17.515 5.852 ( -1.938 4.496 0.000) 4.897 6.002 ( 3.867 -4.139 0.000) 5.665 6.609 ( 7.667 20.081 0.000) 21.495 6.696 ( 10.379 13.193 0.000) 16.786 7.838 ( -2.919 4.246 -0.000) 5.152 7.839 ( -2.855 1.464 0.000) 3.208 8.131 ( 2.068 -2.334 -0.000) 3.119 8.170 ( -0.254 -3.094 0.000) 3.105 8.657 ( -9.458 0.145 0.000) 9.459 8.732 ( -10.400 -5.378 0.000) 11.708 8.779 ( -7.257 -7.616 -0.000) 10.520 8.933 ( -10.094 -18.120 0.000) 20.742 10.242 ( -12.160 17.654 0.000) 21.437 10.385 ( -10.761 7.382 0.000) 13.050 10.840 ( 3.545 6.519 0.000) 7.421 10.952 ( 2.363 1.294 -0.000) 2.694 11.182 ( 2.191 -1.757 -0.000) 2.809 11.355 ( 7.840 -5.775 0.000) 9.737 11.456 ( 7.429 9.507 -0.000) 12.065 11.492 ( 5.886 4.056 0.000) 7.148 11.773 ( -4.958 -5.437 -0.000) 7.358 11.789 ( -2.509 -6.238 0.000) 6.723 11.896 ( -2.952 3.238 0.000) 4.382 12.023 ( -3.551 -6.357 -0.000) 7.281 12.256 ( -8.406 4.645 0.000) 9.604 12.366 ( -4.698 -1.297 -0.000) 4.874 12.464 ( -3.833 4.958 0.000) 6.267 12.780 ( 12.558 -3.003 0.000) 12.912 12.841 ( 1.625 2.935 0.000) 3.355 12.918 ( 0.499 -3.771 -0.000) 3.804 13.012 ( -0.669 5.746 0.000) 5.784 13.158 ( 4.783 -0.087 -0.000) 4.784 13.243 ( -17.313 4.570 0.000) 17.906 13.509 ( -3.613 -1.593 0.000) 3.949 13.565 ( 1.032 -1.239 0.000) 1.613 13.574 ( -3.516 -3.329 -0.000) 4.842 13.622 ( -9.255 1.286 0.000) 9.344 13.719 ( -1.945 -2.024 -0.000) 2.807 14.205 ( 1.609 -4.896 0.000) 5.154 14.275 ( 2.650 -7.227 -0.000) 7.697 14.488 ( 12.347 3.076 0.000) 12.724 14.632 ( 16.626 1.038 0.000) 16.658 15.278 ( -6.708 -1.003 0.000) 6.783 15.465 ( 0.890 -11.025 0.000) 11.061 15.585 ( -13.919 -1.533 0.000) 14.003 15.784 ( -2.550 -5.218 0.000) 5.808 15.864 ( -2.859 -1.915 -0.000) 3.441 16.010 ( -3.907 -15.905 0.000) 16.378 16.405 ( 4.362 6.544 0.000) 7.865 16.505 ( 4.921 2.719 0.000) 5.622 16.792 ( 5.428 13.317 -0.000) 14.381 16.832 ( 6.719 9.297 0.000) 11.471 17.259 ( 9.398 3.335 0.000) 9.972 17.275 ( 11.726 4.539 -0.000) 12.573 18.170 ( 5.357 3.882 0.000) 6.616 18.179 ( 3.070 1.660 0.000) 3.490 18.645 ( -8.251 -0.112 -0.000) 8.252 18.693 ( -6.017 -1.924 0.000) 6.317 19.174 ( -0.836 -0.428 0.000) 0.939 19.243 ( 0.764 -3.695 -0.000) 3.774 21.810 ( -0.237 4.714 0.000) 4.720 21.832 ( -0.728 6.350 0.000) 6.392 21.984 ( 11.349 1.227 0.000) 11.415 22.027 ( 9.810 1.053 0.000) 9.866 22.907 ( -5.870 1.459 0.000) 6.049 23.084 ( 1.555 -5.363 0.000) 5.584 24.043 ( -14.558 -4.195 0.000) 15.150 24.189 ( -9.130 -10.172 0.000) 13.669 ======================= Grid point 265 (57/60) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.977 ( 17.146 -24.933 0.000) 30.260 5.091 ( 8.803 -31.309 0.000) 32.523 5.355 ( 18.102 -2.646 -0.000) 18.294 5.532 ( 17.270 -8.212 0.000) 19.122 5.722 ( -9.866 -1.645 0.000) 10.002 5.921 ( -12.373 -8.375 0.000) 14.941 6.678 ( 1.133 24.657 0.000) 24.683 6.749 ( -3.904 18.312 -0.000) 18.723 7.753 ( -2.780 0.776 0.000) 2.886 7.756 ( -2.817 3.949 -0.000) 4.851 8.278 ( 9.401 2.050 -0.000) 9.622 8.285 ( 8.633 -1.301 0.000) 8.730 8.507 ( -4.511 5.684 0.000) 7.257 8.607 ( -10.243 3.951 -0.000) 10.978 8.686 ( 2.574 -7.632 0.000) 8.055 8.749 ( -4.834 -12.779 0.000) 13.663 10.013 ( -5.962 21.979 0.000) 22.773 10.091 ( -12.442 17.403 0.000) 21.393 10.915 ( 2.885 2.832 0.000) 4.042 10.954 ( -0.890 1.387 -0.000) 1.648 11.265 ( 4.741 -2.414 -0.000) 5.321 11.382 ( -5.413 -5.209 -0.000) 7.512 11.565 ( 3.238 4.628 0.000) 5.648 11.578 ( 2.830 7.299 -0.000) 7.828 11.762 ( 1.318 -1.535 -0.000) 2.024 11.769 ( 0.123 -4.949 0.000) 4.950 11.936 ( 1.252 1.582 0.000) 2.018 11.957 ( -2.346 0.482 -0.000) 2.395 12.221 ( 7.687 12.830 0.000) 14.957 12.298 ( -1.322 4.029 -0.000) 4.240 12.414 ( 1.981 -1.133 0.000) 2.282 12.731 ( -20.205 3.306 -0.000) 20.474 12.904 ( -0.510 0.312 0.000) 0.597 12.915 ( -0.524 -2.154 -0.000) 2.217 13.059 ( 5.294 -0.066 -0.000) 5.294 13.094 ( 12.245 4.255 0.000) 12.964 13.175 ( -3.857 -0.221 0.000) 3.863 13.368 ( -12.455 4.316 0.000) 13.181 13.453 ( 0.399 -1.071 0.000) 1.143 13.504 ( -3.204 -1.803 0.000) 3.676 13.628 ( 2.479 -0.387 0.000) 2.509 13.676 ( -2.092 -0.665 -0.000) 2.195 14.257 ( 2.690 -10.690 0.000) 11.023 14.298 ( -0.643 -10.960 -0.000) 10.978 14.778 ( 13.545 -7.789 0.000) 15.625 14.897 ( 5.907 -6.534 0.000) 8.808 15.175 ( -2.884 1.312 0.000) 3.168 15.259 ( -12.679 -0.191 0.000) 12.680 15.562 ( 6.212 -8.046 0.000) 10.165 15.702 ( -5.554 -4.563 0.000) 7.188 15.841 ( 0.577 -5.919 -0.000) 5.947 15.897 ( -4.846 -11.950 0.000) 12.895 16.521 ( 4.937 4.128 0.000) 6.436 16.570 ( 0.644 4.862 0.000) 4.905 16.871 ( 2.559 12.956 0.000) 13.206 16.903 ( 0.220 10.360 0.000) 10.362 17.437 ( 6.293 -1.256 0.000) 6.417 17.471 ( 4.293 -0.684 -0.000) 4.347 18.265 ( 6.032 3.106 0.000) 6.785 18.334 ( 9.329 3.672 0.000) 10.026 18.445 ( -9.887 2.390 0.000) 10.172 18.534 ( -8.731 1.348 0.000) 8.834 19.176 ( 1.208 -2.522 0.000) 2.796 19.220 ( -2.359 -3.866 -0.000) 4.529 21.808 ( 0.112 5.711 0.000) 5.713 21.816 ( -0.628 6.447 0.000) 6.477 22.227 ( 7.497 1.974 0.000) 7.753 22.238 ( 8.508 1.819 -0.000) 8.701 22.826 ( 1.069 -1.630 0.000) 1.949 22.996 ( -10.173 -5.010 -0.000) 11.340 23.865 ( -0.075 -4.967 0.000) 4.968 23.986 ( -9.075 -7.836 0.000) 11.990 ======================= Grid point 277 (58/60) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.485 ( -2.878 -2.878 -6.445) 7.623 4.485 ( -2.878 -2.878 6.445) 7.623 5.139 ( 5.624 5.624 -22.176) 23.560 5.139 ( 5.624 5.624 22.176) 23.560 5.881 ( -5.844 -5.844 -8.328) 11.733 5.881 ( -5.844 -5.844 8.328) 11.733 6.971 ( 10.405 10.405 -7.303) 16.428 6.971 ( 10.405 10.405 7.303) 16.428 7.902 ( 0.424 0.424 -12.664) 12.679 7.902 ( 0.424 0.424 12.665) 12.679 8.110 ( 1.160 1.160 -6.266) 6.477 8.110 ( 1.160 1.160 6.266) 6.477 8.485 ( -7.023 -7.023 -6.873) 12.078 8.485 ( -7.023 -7.023 6.873) 12.078 8.826 ( 2.721 2.721 -3.701) 5.339 8.826 ( 2.721 2.721 3.701) 5.339 10.465 ( 0.623 0.623 -14.228) 14.256 10.465 ( 0.623 0.623 14.228) 14.256 10.991 ( 3.700 3.700 -38.157) 38.514 10.991 ( 3.700 3.700 38.157) 38.514 11.192 ( -1.910 -1.910 -21.144) 21.316 11.192 ( -1.910 -1.910 21.144) 21.316 11.649 ( 6.644 6.644 -22.727) 24.593 11.649 ( 6.644 6.644 22.727) 24.593 11.734 ( 3.637 3.637 -11.756) 12.832 11.734 ( 3.637 3.637 11.756) 12.832 11.957 ( 0.752 0.752 -35.939) 35.955 11.957 ( 0.752 0.752 35.939) 35.955 12.290 ( -1.430 -1.430 -6.895) 7.186 12.290 ( -1.430 -1.430 6.895) 7.186 12.652 ( 2.093 2.093 -26.621) 26.785 12.652 ( 2.093 2.093 26.621) 26.785 12.875 ( -0.083 -0.083 -21.714) 21.714 12.875 ( -0.083 -0.083 21.714) 21.714 13.154 ( 2.733 2.733 -15.268) 15.750 13.154 ( 2.733 2.733 15.268) 15.750 13.385 ( -4.274 -4.274 -0.132) 6.045 13.385 ( -4.274 -4.274 0.132) 6.045 13.479 ( -3.032 -3.032 -0.512) 4.318 13.479 ( -3.032 -3.032 0.512) 4.318 13.645 ( -1.846 -1.846 -14.452) 14.686 13.645 ( -1.846 -1.846 14.452) 14.686 14.086 ( -7.252 -7.252 -2.336) 10.519 14.086 ( -7.252 -7.252 2.336) 10.519 14.628 ( 3.115 3.115 -0.955) 4.508 14.628 ( 3.115 3.115 0.955) 4.508 15.272 ( -2.444 -2.444 -1.611) 3.814 15.272 ( -2.444 -2.444 1.611) 3.814 15.562 ( -7.244 -7.244 -0.265) 10.248 15.562 ( -7.244 -7.244 0.265) 10.248 15.814 ( -2.494 -2.494 -4.732) 5.902 15.814 ( -2.494 -2.494 4.732) 5.902 16.530 ( 2.244 2.244 -5.984) 6.773 16.530 ( 2.244 2.244 5.984) 6.773 17.018 ( 7.293 7.293 -4.496) 11.252 17.018 ( 7.293 7.293 4.496) 11.252 17.371 ( 4.631 4.631 -0.601) 6.576 17.371 ( 4.631 4.631 0.601) 6.576 18.262 ( 5.539 5.539 -0.456) 7.846 18.262 ( 5.539 5.539 0.456) 7.846 18.630 ( -2.818 -2.818 -1.408) 4.227 18.630 ( -2.818 -2.818 1.408) 4.227 19.158 ( -2.401 -2.401 -6.881) 7.674 19.158 ( -2.401 -2.401 6.881) 7.674 21.953 ( 4.657 4.657 -1.878) 6.848 21.953 ( 4.657 4.657 1.878) 6.848 22.074 ( 6.981 6.981 -9.347) 13.596 22.074 ( 6.981 6.981 9.347) 13.596 22.929 ( -4.536 -4.536 -12.039) 13.642 22.929 ( -4.536 -4.536 12.039) 13.642 23.922 ( -9.886 -9.886 -1.101) 14.025 23.922 ( -9.886 -9.886 1.101) 14.025 ======================= Grid point 279 (59/60) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.442 ( 0.220 -22.705 0.000) 22.706 4.465 ( -1.315 -25.031 -0.000) 25.066 5.317 ( 12.473 -0.444 -0.000) 12.481 5.383 ( 14.122 -4.776 0.000) 14.908 5.630 ( -13.995 -6.354 -0.000) 15.370 5.703 ( -12.771 -11.213 0.000) 16.995 7.066 ( 0.638 10.608 0.000) 10.627 7.071 ( 0.377 9.774 -0.000) 9.782 7.819 ( -1.070 5.393 0.000) 5.498 7.866 ( -4.295 5.319 0.000) 6.837 8.190 ( 7.332 -4.528 -0.000) 8.618 8.300 ( 7.603 -0.933 0.000) 7.660 8.360 ( -3.218 -7.712 0.000) 8.356 8.460 ( -1.619 -6.864 -0.000) 7.052 8.885 ( 3.359 14.974 0.000) 15.346 8.897 ( 1.920 13.434 -0.000) 13.571 10.391 ( -2.954 11.415 -0.000) 11.791 10.411 ( -4.421 9.839 0.000) 10.787 11.002 ( 0.163 4.914 0.000) 4.916 11.018 ( -1.589 4.541 -0.000) 4.810 11.180 ( 3.651 -4.746 -0.000) 5.987 11.231 ( -0.495 -7.616 0.000) 7.632 11.747 ( 3.426 12.228 0.000) 12.699 11.756 ( 2.323 9.356 -0.000) 9.640 11.813 ( 2.668 7.875 -0.000) 8.315 11.832 ( 1.377 6.495 0.000) 6.640 11.976 ( 1.780 2.391 -0.000) 2.981 11.994 ( 0.927 2.995 0.000) 3.135 12.319 ( 3.861 0.900 -0.000) 3.965 12.384 ( 9.902 0.904 0.000) 9.943 12.490 ( -3.402 10.489 0.000) 11.027 12.795 ( -10.793 1.469 -0.000) 10.893 12.882 ( 0.718 -0.919 0.000) 1.167 12.942 ( -1.160 -0.444 -0.000) 1.242 12.971 ( 2.292 -3.610 0.000) 4.276 13.181 ( -5.120 -1.340 0.000) 5.292 13.259 ( 4.828 8.622 0.000) 9.882 13.348 ( -3.301 -2.414 -0.000) 4.090 13.447 ( -1.389 -4.075 0.000) 4.305 13.477 ( -3.906 -1.927 0.000) 4.355 13.601 ( 4.120 -0.963 -0.000) 4.231 13.660 ( -0.363 -0.886 -0.000) 0.958 13.945 ( -3.529 -16.836 0.000) 17.201 13.967 ( -4.741 -17.452 -0.000) 18.084 14.626 ( 1.988 -6.478 0.000) 6.776 14.691 ( -2.000 -11.201 0.000) 11.378 15.215 ( 0.647 3.452 0.000) 3.512 15.288 ( -4.903 2.676 0.000) 5.586 15.404 ( 4.387 -4.712 0.000) 6.438 15.522 ( -3.904 -9.033 0.000) 9.841 15.787 ( -0.320 -0.336 0.000) 0.465 15.789 ( -0.458 -0.598 -0.000) 0.753 16.544 ( 1.241 -2.585 0.000) 2.867 16.569 ( -0.319 -4.442 -0.000) 4.454 17.115 ( 2.461 9.124 -0.000) 9.451 17.122 ( 2.016 8.636 0.000) 8.868 17.423 ( 1.886 -0.092 0.000) 1.888 17.445 ( 0.654 -1.538 0.000) 1.671 18.380 ( 6.374 7.190 0.000) 9.609 18.427 ( 7.863 4.781 0.000) 9.203 18.520 ( -6.057 4.017 0.000) 7.269 18.566 ( -4.638 1.402 0.000) 4.846 19.110 ( -0.647 -3.258 0.000) 3.321 19.125 ( -1.593 -4.444 -0.000) 4.721 21.988 ( 1.054 10.783 0.000) 10.834 22.002 ( -0.059 10.412 0.000) 10.413 22.278 ( 8.285 2.580 -0.000) 8.677 22.286 ( 9.338 2.413 0.000) 9.644 22.763 ( -4.447 -4.650 0.000) 6.434 22.839 ( -7.835 -9.457 -0.000) 12.281 23.734 ( -2.916 -6.621 0.000) 7.235 23.780 ( -5.669 -10.109 0.000) 11.590 ======================= Grid point 293 (60/60) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.087 ( -9.248 -9.248 -0.613) 13.093 4.087 ( -9.248 -9.248 0.613) 13.093 5.355 ( 3.246 3.246 -26.049) 26.450 5.355 ( 3.246 3.246 26.049) 26.450 5.480 ( -7.950 -7.950 -23.787) 26.310 5.480 ( -7.950 -7.950 23.787) 26.310 7.164 ( 0.688 0.688 -1.669) 1.932 7.164 ( 0.688 0.688 1.669) 1.932 7.943 ( 3.392 3.392 -7.810) 9.166 7.943 ( 3.392 3.392 7.810) 9.166 8.221 ( 2.018 2.018 -17.948) 18.173 8.221 ( 2.018 2.018 17.948) 18.173 8.310 ( -4.618 -4.618 -13.853) 15.315 8.310 ( -4.618 -4.618 13.853) 15.315 9.142 ( 7.226 7.226 -0.098) 10.220 9.142 ( 7.226 7.226 0.098) 10.220 10.510 ( 1.332 1.332 -2.935) 3.487 10.510 ( 1.332 1.332 2.935) 3.487 11.088 ( 0.674 0.674 -38.019) 38.031 11.088 ( 0.674 0.674 38.019) 38.031 11.108 ( -1.297 -1.297 -35.994) 36.041 11.108 ( -1.297 -1.297 35.994) 36.041 11.879 ( 0.644 0.644 -0.356) 0.978 11.879 ( 0.644 0.644 0.356) 0.978 12.033 ( 8.895 8.895 -27.281) 30.041 12.033 ( 8.895 8.895 27.281) 30.041 12.086 ( 4.582 4.582 -31.413) 32.074 12.086 ( 4.582 4.582 31.413) 32.074 12.451 ( 9.171 9.171 -14.581) 19.514 12.451 ( 9.171 9.171 14.581) 19.514 12.742 ( 2.450 2.450 -14.103) 14.523 12.742 ( 2.450 2.450 14.103) 14.523 12.835 ( -1.557 -1.557 -7.764) 8.070 12.835 ( -1.557 -1.557 7.764) 8.070 13.012 ( -7.384 -7.384 -0.735) 10.468 13.012 ( -7.384 -7.384 0.735) 10.468 13.255 ( -10.442 -10.442 -6.046) 15.957 13.255 ( -10.442 -10.442 6.046) 15.957 13.403 ( 2.982 2.982 -2.033) 4.681 13.403 ( 2.982 2.982 2.033) 4.681 13.631 ( 0.804 0.804 -21.139) 21.170 13.631 ( 0.804 0.804 21.139) 21.170 13.698 ( -5.787 -5.787 -15.907) 17.889 13.698 ( -5.787 -5.787 15.907) 17.889 14.497 ( -4.869 -4.869 -0.901) 6.945 14.497 ( -4.869 -4.869 0.901) 6.945 15.330 ( 3.267 3.267 -1.186) 4.770 15.330 ( 3.267 3.267 1.186) 4.770 15.384 ( -1.379 -1.379 -0.502) 2.014 15.384 ( -1.379 -1.379 0.502) 2.014 15.792 ( 0.341 0.341 -0.627) 0.791 15.792 ( 0.341 0.341 0.627) 0.791 16.447 ( -4.468 -4.468 -2.005) 6.629 16.447 ( -4.468 -4.468 2.005) 6.629 17.247 ( 3.031 3.031 -1.081) 4.421 17.247 ( 3.031 3.031 1.081) 4.421 17.422 ( -0.265 -0.265 -1.649) 1.691 17.422 ( -0.265 -0.265 1.649) 1.691 18.525 ( 4.617 4.617 -0.407) 6.542 18.525 ( 4.617 4.617 0.407) 6.541 18.577 ( -0.112 -0.112 -0.004) 0.159 18.577 ( -0.112 -0.112 0.004) 0.159 19.053 ( -1.774 -1.774 -0.840) 2.646 19.053 ( -1.774 -1.774 0.840) 2.646 22.222 ( 7.962 7.962 -6.511) 13.007 22.222 ( 7.962 7.962 6.511) 13.007 22.342 ( 4.104 4.104 -14.687) 15.792 22.342 ( 4.104 4.104 14.687) 15.792 22.615 ( -9.370 -9.370 -8.995) 16.016 22.615 ( -9.370 -9.370 8.995) 16.016 23.617 ( -3.766 -3.766 -0.051) 5.326 23.617 ( -3.766 -3.766 0.051) 5.326 =================== 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 3/35280 10.0 939.341 939.341 2055.006 -0.000 0.000 0.000 3/35280 20.0 1098.650 1098.650 670.141 -0.000 0.000 0.000 3/35280 30.0 523.485 523.485 358.332 -0.000 0.000 0.000 3/35280 40.0 247.629 247.629 197.230 -0.000 0.000 0.000 3/35280 50.0 139.481 139.481 123.816 -0.000 0.000 0.000 3/35280 60.0 88.758 88.758 85.668 -0.000 -0.000 0.000 3/35280 70.0 61.430 61.430 63.233 -0.000 -0.000 0.000 3/35280 80.0 45.192 45.192 48.915 -0.000 -0.000 0.000 3/35280 90.0 34.829 34.829 39.245 -0.000 -0.000 0.000 3/35280 100.0 27.841 27.841 32.427 -0.000 -0.000 0.000 3/35280 110.0 22.919 22.919 27.450 -0.000 -0.000 0.000 3/35280 120.0 19.326 19.326 23.708 -0.000 -0.000 0.000 3/35280 130.0 16.624 16.624 20.821 -0.000 -0.000 0.000 3/35280 140.0 14.540 14.540 18.544 -0.000 -0.000 0.000 3/35280 150.0 12.895 12.895 16.712 -0.000 -0.000 0.000 3/35280 160.0 11.573 11.573 15.211 -0.000 -0.000 0.000 3/35280 170.0 10.492 10.492 13.964 -0.000 -0.000 0.000 3/35280 180.0 9.595 9.595 12.912 -0.000 -0.000 0.000 3/35280 190.0 8.839 8.839 12.014 -0.000 -0.000 0.000 3/35280 200.0 8.197 8.197 11.239 -0.000 -0.000 0.000 3/35280 210.0 7.643 7.643 10.563 -0.000 -0.000 0.000 3/35280 220.0 7.163 7.163 9.969 -0.000 -0.000 0.000 3/35280 230.0 6.741 6.741 9.442 -0.000 -0.000 0.000 3/35280 240.0 6.369 6.369 8.972 -0.000 -0.000 0.000 3/35280 250.0 6.038 6.038 8.549 -0.000 -0.000 0.000 3/35280 260.0 5.742 5.742 8.167 -0.000 -0.000 0.000 3/35280 270.0 5.475 5.475 7.820 -0.000 -0.000 0.000 3/35280 280.0 5.233 5.233 7.503 -0.000 -0.000 0.000 3/35280 290.0 5.013 5.013 7.213 -0.000 -0.000 0.000 3/35280 300.0 4.812 4.812 6.946 -0.000 -0.000 0.000 3/35280 310.0 4.627 4.627 6.699 -0.000 -0.000 0.000 3/35280 320.0 4.457 4.457 6.470 -0.000 -0.000 0.000 3/35280 330.0 4.300 4.300 6.256 -0.000 -0.000 0.000 3/35280 340.0 4.154 4.154 6.058 -0.000 -0.000 0.000 3/35280 350.0 4.018 4.018 5.872 -0.000 -0.000 0.000 3/35280 360.0 3.892 3.892 5.698 -0.000 -0.000 0.000 3/35280 370.0 3.773 3.773 5.534 -0.000 -0.000 0.000 3/35280 380.0 3.662 3.662 5.380 -0.000 -0.000 0.000 3/35280 390.0 3.558 3.558 5.235 -0.000 -0.000 0.000 3/35280 400.0 3.460 3.460 5.098 -0.000 -0.000 0.000 3/35280 410.0 3.367 3.367 4.968 -0.000 -0.000 0.000 3/35280 420.0 3.280 3.280 4.844 -0.000 -0.000 0.000 3/35280 430.0 3.197 3.197 4.727 -0.000 -0.000 0.000 3/35280 440.0 3.118 3.118 4.616 -0.000 -0.000 0.000 3/35280 450.0 3.043 3.043 4.510 -0.000 -0.000 0.000 3/35280 460.0 2.972 2.972 4.409 -0.000 -0.000 0.000 3/35280 470.0 2.905 2.905 4.312 -0.000 -0.000 0.000 3/35280 480.0 2.840 2.840 4.220 -0.000 -0.000 0.000 3/35280 490.0 2.778 2.778 4.131 -0.000 -0.000 0.000 3/35280 500.0 2.720 2.720 4.047 -0.000 -0.000 0.000 3/35280 510.0 2.663 2.663 3.966 -0.000 -0.000 0.000 3/35280 520.0 2.609 2.609 3.888 -0.000 -0.000 0.000 3/35280 530.0 2.557 2.557 3.813 -0.000 -0.000 0.000 3/35280 540.0 2.508 2.508 3.741 -0.000 -0.000 0.000 3/35280 550.0 2.460 2.460 3.672 -0.000 -0.000 0.000 3/35280 560.0 2.414 2.414 3.605 -0.000 -0.000 0.000 3/35280 570.0 2.370 2.370 3.541 -0.000 -0.000 0.000 3/35280 580.0 2.327 2.327 3.479 -0.000 -0.000 0.000 3/35280 590.0 2.286 2.286 3.419 -0.000 -0.000 0.000 3/35280 600.0 2.247 2.247 3.362 -0.000 -0.000 0.000 3/35280 610.0 2.209 2.209 3.306 -0.000 -0.000 0.000 3/35280 620.0 2.172 2.172 3.252 -0.000 -0.000 0.000 3/35280 630.0 2.136 2.136 3.200 -0.000 -0.000 0.000 3/35280 640.0 2.102 2.102 3.149 -0.000 -0.000 0.000 3/35280 650.0 2.069 2.069 3.101 -0.000 -0.000 0.000 3/35280 660.0 2.036 2.036 3.053 -0.000 -0.000 0.000 3/35280 670.0 2.005 2.005 3.007 -0.000 -0.000 0.000 3/35280 680.0 1.975 1.975 2.963 -0.000 -0.000 0.000 3/35280 690.0 1.945 1.945 2.920 -0.000 -0.000 0.000 3/35280 700.0 1.917 1.917 2.878 -0.000 -0.000 0.000 3/35280 710.0 1.889 1.889 2.837 -0.000 -0.000 0.000 3/35280 720.0 1.862 1.862 2.797 -0.000 -0.000 0.000 3/35280 730.0 1.836 1.836 2.759 -0.000 -0.000 0.000 3/35280 740.0 1.811 1.811 2.721 -0.000 -0.000 0.000 3/35280 750.0 1.786 1.786 2.685 -0.000 -0.000 0.000 3/35280 760.0 1.762 1.762 2.649 -0.000 -0.000 0.000 3/35280 770.0 1.739 1.739 2.615 -0.000 -0.000 0.000 3/35280 780.0 1.716 1.716 2.581 -0.000 -0.000 0.000 3/35280 790.0 1.694 1.694 2.548 -0.000 -0.000 0.000 3/35280 800.0 1.673 1.673 2.516 -0.000 -0.000 0.000 3/35280 810.0 1.652 1.652 2.485 -0.000 -0.000 0.000 3/35280 820.0 1.631 1.631 2.455 -0.000 -0.000 0.000 3/35280 830.0 1.611 1.611 2.425 -0.000 -0.000 0.000 3/35280 840.0 1.592 1.592 2.396 -0.000 -0.000 0.000 3/35280 850.0 1.573 1.573 2.368 -0.000 -0.000 0.000 3/35280 860.0 1.554 1.554 2.341 -0.000 -0.000 0.000 3/35280 870.0 1.536 1.536 2.314 -0.000 -0.000 0.000 3/35280 880.0 1.518 1.518 2.287 -0.000 -0.000 0.000 3/35280 890.0 1.501 1.501 2.262 -0.000 -0.000 0.000 3/35280 900.0 1.484 1.484 2.236 -0.000 -0.000 0.000 3/35280 910.0 1.468 1.468 2.212 -0.000 -0.000 0.000 3/35280 920.0 1.452 1.452 2.188 -0.000 -0.000 0.000 3/35280 930.0 1.436 1.436 2.164 -0.000 -0.000 0.000 3/35280 940.0 1.420 1.420 2.141 -0.000 -0.000 0.000 3/35280 950.0 1.405 1.405 2.119 -0.000 -0.000 0.000 3/35280 960.0 1.391 1.391 2.097 -0.000 -0.000 0.000 3/35280 970.0 1.376 1.376 2.075 -0.000 -0.000 0.000 3/35280 980.0 1.362 1.362 2.054 -0.000 -0.000 0.000 3/35280 990.0 1.348 1.348 2.033 -0.000 -0.000 0.000 3/35280 1000.0 1.334 1.334 2.013 -0.000 -0.000 0.000 3/35280 Thermal conductivity related properties were written into "kappa-m7710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:01:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|