----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:17:33]------------------------- 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.493389310966057 2.016909259070411 5.809958266666660 b -3.493389310966050 2.016909259070411 5.809958266666660 c 0.000000000000003 -4.033818518140827 5.809958266666660 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 *2 F 0.30818560004549 0.30818560004549 0.92998873775099 18.998 *3 F 0.65430835544499 0.07176027393507 0.07176027393507 18.998 4 F 0.07176027393507 0.65430835544499 0.07176027393507 18.998 5 F 0.92823972606493 0.34569164455501 0.92823972606493 18.998 6 F 0.34569164455501 0.92823972606493 0.92823972606493 18.998 7 F 0.07176027393507 0.07176027393507 0.65430835544499 18.998 8 F 0.92998873775099 0.30818560004549 0.30818560004549 18.998 9 F 0.30818560004549 0.92998873775100 0.30818560004549 18.998 10 F 0.69181439995451 0.07001126224901 0.69181439995451 18.998 11 F 0.69181439995451 0.69181439995451 0.07001126224901 18.998 12 F 0.07001126224901 0.69181439995451 0.69181439995451 18.998 13 F 0.92823972606493 0.92823972606493 0.34569164455501 18.998 *14 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 15 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 16 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 *17 Cs 0.62781637363463 0.62781637363464 0.62781637363463 132.905 18 Cs 0.37218362636537 0.37218362636537 0.37218362636537 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.986778621932109 0.000000000000000 0.000000000000000 b -3.493389310966054 6.050727777211238 0.000000000000000 c 0.000000000000000 0.000000000000000 17.429874800000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.33333333333333 6.941 > 1 3 Li 0.33333333333333 0.66666666666667 0.66666666666667 6.941 > 1 *4 F 0.12606562076483 0.25213124152966 0.18211997928066 18.998 > 2 *5 F 0.38836538767328 0.19418269383664 0.26594296777171 18.998 > 3 6 F 0.80581730616336 0.19418269383664 0.26594296777171 18.998 > 4 7 F 0.86084936050331 0.13915063949669 0.06739036556162 18.998 > 5 8 F 0.27830127899338 0.13915063949669 0.06739036556162 18.998 > 6 9 F 0.80581730616336 0.61163461232672 0.26594296777171 18.998 > 7 10 F 0.74786875847034 0.87393437923517 0.18211997928066 18.998 > 8 11 F 0.12606562076483 0.87393437923517 0.18211997928066 18.998 > 9 12 F 0.54060104590183 0.45939895409817 0.15121335405268 18.998 > 10 13 F 0.54060104590183 0.08120209180367 0.15121335405268 18.998 > 11 14 F 0.91879790819633 0.45939895409817 0.15121335405268 18.998 > 12 15 F 0.86084936050331 0.72169872100662 0.06739036556162 18.998 > 13 16 F 0.79273228743150 0.58546457486300 0.51545331261399 18.998 > 2 17 F 0.05503205433995 0.52751602716998 0.59927630110504 18.998 > 3 18 F 0.47248397283003 0.52751602716998 0.59927630110504 18.998 > 4 19 F 0.52751602716997 0.47248397283003 0.40072369889496 18.998 > 5 20 F 0.94496794566005 0.47248397283003 0.40072369889496 18.998 > 6 21 F 0.47248397283003 0.94496794566005 0.59927630110504 18.998 > 7 22 F 0.41453542513700 0.20726771256850 0.51545331261399 18.998 > 8 23 F 0.79273228743150 0.20726771256850 0.51545331261399 18.998 > 9 24 F 0.20726771256850 0.79273228743150 0.48454668738601 18.998 > 10 25 F 0.20726771256850 0.41453542513700 0.48454668738601 18.998 > 11 26 F 0.58546457486300 0.79273228743150 0.48454668738601 18.998 > 12 27 F 0.52751602716997 0.05503205433995 0.40072369889496 18.998 > 13 28 F 0.45939895409817 0.91879790819633 0.84878664594732 18.998 > 2 29 F 0.72169872100662 0.86084936050331 0.93260963443838 18.998 > 3 30 F 0.13915063949669 0.86084936050331 0.93260963443838 18.998 > 4 31 F 0.19418269383664 0.80581730616336 0.73405703222829 18.998 > 5 32 F 0.61163461232672 0.80581730616336 0.73405703222829 18.998 > 6 33 F 0.13915063949669 0.27830127899338 0.93260963443838 18.998 > 7 34 F 0.08120209180367 0.54060104590183 0.84878664594732 18.998 > 8 35 F 0.45939895409817 0.54060104590183 0.84878664594732 18.998 > 9 36 F 0.87393437923517 0.12606562076483 0.81788002071934 18.998 > 10 37 F 0.87393437923517 0.74786875847034 0.81788002071934 18.998 > 11 38 F 0.25213124152966 0.12606562076483 0.81788002071934 18.998 > 12 39 F 0.19418269383664 0.38836538767328 0.73405703222829 18.998 > 13 *40 Al 0.83333333333333 0.66666666666667 0.16666666666667 26.982 > 14 41 Al 0.83333333333333 0.16666666666667 0.16666666666667 26.982 > 15 42 Al 0.33333333333333 0.16666666666667 0.16666666666667 26.982 > 16 43 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 14 44 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 15 45 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 16 46 Al 0.16666666666667 0.33333333333333 0.83333333333333 26.982 > 14 47 Al 0.16666666666667 0.83333333333333 0.83333333333333 26.982 > 15 48 Al 0.66666666666667 0.83333333333333 0.83333333333333 26.982 > 16 *49 Cs 0.33333333333333 0.66666666666667 0.29448304030130 132.905 > 17 50 Cs 0.33333333333333 0.66666666666667 0.03885029303203 132.905 > 18 51 Cs 0.00000000000000 0.00000000000000 0.62781637363463 132.905 > 17 52 Cs 0.00000000000000 0.00000000000000 0.37218362636537 132.905 > 18 53 Cs 0.66666666666667 0.33333333333333 0.96114970696797 132.905 > 17 54 Cs 0.66666666666667 0.33333333333333 0.70551695969870 132.905 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.986778621932109 0.000000000000000 0.000000000000000 b -3.493389310966054 6.050727777211238 0.000000000000000 c 0.000000000000000 0.000000000000000 17.429874800000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.33333333333333 6.941 > 1 3 Li 0.33333333333333 0.66666666666667 0.66666666666667 6.941 > 1 *4 F 0.12606562076483 0.25213124152966 0.18211997928066 18.998 > 2 *5 F 0.38836538767328 0.19418269383664 0.26594296777171 18.998 > 3 6 F 0.80581730616336 0.19418269383664 0.26594296777171 18.998 > 4 7 F 0.86084936050331 0.13915063949669 0.06739036556162 18.998 > 5 8 F 0.27830127899338 0.13915063949669 0.06739036556162 18.998 > 6 9 F 0.80581730616336 0.61163461232672 0.26594296777171 18.998 > 7 10 F 0.74786875847034 0.87393437923517 0.18211997928066 18.998 > 8 11 F 0.12606562076483 0.87393437923517 0.18211997928066 18.998 > 9 12 F 0.54060104590183 0.45939895409817 0.15121335405268 18.998 > 10 13 F 0.54060104590183 0.08120209180367 0.15121335405268 18.998 > 11 14 F 0.91879790819633 0.45939895409817 0.15121335405268 18.998 > 12 15 F 0.86084936050331 0.72169872100662 0.06739036556162 18.998 > 13 16 F 0.79273228743150 0.58546457486300 0.51545331261399 18.998 > 2 17 F 0.05503205433995 0.52751602716998 0.59927630110504 18.998 > 3 18 F 0.47248397283003 0.52751602716998 0.59927630110504 18.998 > 4 19 F 0.52751602716997 0.47248397283003 0.40072369889496 18.998 > 5 20 F 0.94496794566005 0.47248397283003 0.40072369889496 18.998 > 6 21 F 0.47248397283003 0.94496794566005 0.59927630110504 18.998 > 7 22 F 0.41453542513700 0.20726771256850 0.51545331261399 18.998 > 8 23 F 0.79273228743150 0.20726771256850 0.51545331261399 18.998 > 9 24 F 0.20726771256850 0.79273228743150 0.48454668738601 18.998 > 10 25 F 0.20726771256850 0.41453542513700 0.48454668738601 18.998 > 11 26 F 0.58546457486300 0.79273228743150 0.48454668738601 18.998 > 12 27 F 0.52751602716997 0.05503205433995 0.40072369889496 18.998 > 13 28 F 0.45939895409817 0.91879790819633 0.84878664594732 18.998 > 2 29 F 0.72169872100662 0.86084936050331 0.93260963443838 18.998 > 3 30 F 0.13915063949669 0.86084936050331 0.93260963443838 18.998 > 4 31 F 0.19418269383664 0.80581730616336 0.73405703222829 18.998 > 5 32 F 0.61163461232672 0.80581730616336 0.73405703222829 18.998 > 6 33 F 0.13915063949669 0.27830127899338 0.93260963443838 18.998 > 7 34 F 0.08120209180367 0.54060104590183 0.84878664594732 18.998 > 8 35 F 0.45939895409817 0.54060104590183 0.84878664594732 18.998 > 9 36 F 0.87393437923517 0.12606562076483 0.81788002071934 18.998 > 10 37 F 0.87393437923517 0.74786875847034 0.81788002071934 18.998 > 11 38 F 0.25213124152966 0.12606562076483 0.81788002071934 18.998 > 12 39 F 0.19418269383664 0.38836538767328 0.73405703222829 18.998 > 13 *40 Al 0.83333333333333 0.66666666666667 0.16666666666667 26.982 > 14 41 Al 0.83333333333333 0.16666666666667 0.16666666666667 26.982 > 15 42 Al 0.33333333333333 0.16666666666667 0.16666666666667 26.982 > 16 43 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 14 44 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 15 45 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 16 46 Al 0.16666666666667 0.33333333333333 0.83333333333333 26.982 > 14 47 Al 0.16666666666667 0.83333333333333 0.83333333333333 26.982 > 15 48 Al 0.66666666666667 0.83333333333333 0.83333333333333 26.982 > 16 *49 Cs 0.33333333333333 0.66666666666667 0.29448304030130 132.905 > 17 50 Cs 0.33333333333333 0.66666666666667 0.03885029303203 132.905 > 18 51 Cs 0.00000000000000 0.00000000000000 0.62781637363463 132.905 > 17 52 Cs 0.00000000000000 0.00000000000000 0.37218362636537 132.905 > 18 53 Cs 0.66666666666667 0.33333333333333 0.96114970696797 132.905 > 17 54 Cs 0.66666666666667 0.33333333333333 0.70551695969870 132.905 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1635195 0.0000000 0.0000000 0.0000000 2.1635195 0.0000000 0.0000000 0.0000000 2.1481530 -------------------------- Born effective charges -------------------------- 1 Li 1.1130260 0.0000000 0.0000000 0.0000000 1.1130260 0.0000000 -0.0000000 -0.0000000 1.1466527 2 F -1.5017558 -0.0000000 0.0000000 0.0000000 -0.8504300 -0.0422701 -0.0000000 -0.0607903 -0.7976159 3 F -0.9536522 -0.0520523 0.0140089 -0.0520523 -0.8935475 0.0080881 -0.0120437 -0.0069534 -1.2114385 4 F -0.9536522 0.0520523 -0.0140089 0.0520523 -0.8935475 0.0080881 0.0120437 -0.0069534 -1.2114385 5 F -0.9536522 0.0520523 -0.0140089 0.0520523 -0.8935475 0.0080881 0.0120437 -0.0069534 -1.2114385 6 F -0.9536522 -0.0520523 0.0140089 -0.0520523 -0.8935475 0.0080881 -0.0120437 -0.0069534 -1.2114385 7 F -0.8634951 0.0000000 0.0000000 0.0000000 -0.9837046 -0.0161761 -0.0000000 0.0139069 -1.2114385 8 F -1.0132615 0.2820323 0.0366070 0.2820323 -1.3389244 0.0211350 0.0526459 0.0303951 -0.7976159 9 F -1.0132615 -0.2820323 -0.0366070 -0.2820323 -1.3389244 0.0211350 -0.0526459 0.0303951 -0.7976159 10 F -1.0132615 -0.2820323 -0.0366070 -0.2820323 -1.3389244 0.0211350 -0.0526459 0.0303951 -0.7976159 11 F -1.5017558 -0.0000000 0.0000000 0.0000000 -0.8504300 -0.0422701 -0.0000000 -0.0607903 -0.7976159 12 F -1.0132615 0.2820323 0.0366070 0.2820323 -1.3389244 0.0211350 0.0526459 0.0303951 -0.7976159 13 F -0.8634951 0.0000000 0.0000000 0.0000000 -0.9837046 -0.0161761 -0.0000000 0.0139069 -1.2114385 14 Al 2.8847657 -0.0000000 -0.0000000 0.0000000 2.9701147 0.1545535 -0.0000000 0.0044050 2.7400953 15 Al 2.9487775 -0.0369572 0.1338472 -0.0369572 2.9061030 -0.0772767 0.0038148 -0.0022025 2.7400953 16 Al 2.9487775 0.0369572 -0.1338472 0.0369572 2.9061030 -0.0772767 -0.0038148 -0.0022025 2.7400953 17 Cs 1.3514050 0.0000000 0.0000000 0.0000000 1.3514050 0.0000000 -0.0000000 -0.0000000 1.3436941 18 Cs 1.3514050 0.0000000 0.0000000 0.0000000 1.3514050 0.0000000 -0.0000000 -0.0000000 1.3436941 ---------------------------------------------------------------------------- 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: 162/162 Permutation basis: 5769/5769 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 431 Number of blocks in projector: 299 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 190 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 81 Use standard eigh solver. Tree of FC basis block matrices: - (431, 412), data: False |-- (81, 76), data: True |-- (160, 154), data: True |-- (190, 182), data: True ----- Solver_atoms: 1 -- 54 / 54 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.229 Solver_block: 200 / 240 - Time: 0.312 Solver_block: 240 / 240 - Time: 0.082 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.709 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 162/162 Permutation basis: 5769/5769 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 431 Number of blocks in projector: 299 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 190 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 81 Use standard eigh solver. Tree of FC basis block matrices: - (431, 412), data: False |-- (81, 76), data: True |-- (160, 154), data: True |-- (190, 182), 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 00:17:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:17:41]------------------------- 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.493389310966057 2.016909259070411 5.809958266666660 b -3.493389310966050 2.016909259070411 5.809958266666660 c 0.000000000000003 -4.033818518140827 5.809958266666660 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 F 0.30818560004549 0.30818560004549 0.92998873775099 18.998 3 F 0.65430835544499 0.07176027393507 0.07176027393507 18.998 4 F 0.07176027393507 0.65430835544499 0.07176027393507 18.998 5 F 0.92823972606493 0.34569164455501 0.92823972606493 18.998 6 F 0.34569164455501 0.92823972606493 0.92823972606493 18.998 7 F 0.07176027393507 0.07176027393507 0.65430835544499 18.998 8 F 0.92998873775099 0.30818560004549 0.30818560004549 18.998 9 F 0.30818560004549 0.92998873775100 0.30818560004549 18.998 10 F 0.69181439995451 0.07001126224901 0.69181439995451 18.998 11 F 0.69181439995451 0.69181439995451 0.07001126224901 18.998 12 F 0.07001126224901 0.69181439995451 0.69181439995451 18.998 13 F 0.92823972606493 0.92823972606493 0.34569164455501 18.998 14 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 15 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 16 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 17 Cs 0.62781637363463 0.62781637363464 0.62781637363463 132.905 18 Cs 0.37218362636537 0.37218362636537 0.37218362636537 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.986778621932109 0.000000000000000 0.000000000000000 b -3.493389310966054 6.050727777211238 0.000000000000000 c 0.000000000000000 0.000000000000000 17.429874800000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.33333333333333 6.941 > 1 3 Li 0.33333333333333 0.66666666666667 0.66666666666667 6.941 > 1 4 F 0.12606562076483 0.25213124152966 0.18211997928066 18.998 > 4 5 F 0.38836538767328 0.19418269383664 0.26594296777171 18.998 > 5 6 F 0.80581730616336 0.19418269383664 0.26594296777171 18.998 > 6 7 F 0.86084936050331 0.13915063949669 0.06739036556162 18.998 > 7 8 F 0.27830127899338 0.13915063949669 0.06739036556162 18.998 > 8 9 F 0.80581730616336 0.61163461232672 0.26594296777171 18.998 > 9 10 F 0.74786875847034 0.87393437923517 0.18211997928066 18.998 > 10 11 F 0.12606562076483 0.87393437923517 0.18211997928066 18.998 > 11 12 F 0.54060104590183 0.45939895409817 0.15121335405268 18.998 > 12 13 F 0.54060104590183 0.08120209180367 0.15121335405268 18.998 > 13 14 F 0.91879790819633 0.45939895409817 0.15121335405268 18.998 > 14 15 F 0.86084936050331 0.72169872100662 0.06739036556162 18.998 > 15 16 F 0.79273228743150 0.58546457486300 0.51545331261399 18.998 > 4 17 F 0.05503205433995 0.52751602716998 0.59927630110504 18.998 > 5 18 F 0.47248397283003 0.52751602716998 0.59927630110504 18.998 > 6 19 F 0.52751602716997 0.47248397283003 0.40072369889496 18.998 > 7 20 F 0.94496794566005 0.47248397283003 0.40072369889496 18.998 > 8 21 F 0.47248397283003 0.94496794566005 0.59927630110504 18.998 > 9 22 F 0.41453542513700 0.20726771256850 0.51545331261399 18.998 > 10 23 F 0.79273228743150 0.20726771256850 0.51545331261399 18.998 > 11 24 F 0.20726771256850 0.79273228743150 0.48454668738601 18.998 > 12 25 F 0.20726771256850 0.41453542513700 0.48454668738601 18.998 > 13 26 F 0.58546457486300 0.79273228743150 0.48454668738601 18.998 > 14 27 F 0.52751602716997 0.05503205433995 0.40072369889496 18.998 > 15 28 F 0.45939895409817 0.91879790819633 0.84878664594732 18.998 > 4 29 F 0.72169872100662 0.86084936050331 0.93260963443838 18.998 > 5 30 F 0.13915063949669 0.86084936050331 0.93260963443838 18.998 > 6 31 F 0.19418269383664 0.80581730616336 0.73405703222829 18.998 > 7 32 F 0.61163461232672 0.80581730616336 0.73405703222829 18.998 > 8 33 F 0.13915063949669 0.27830127899338 0.93260963443838 18.998 > 9 34 F 0.08120209180367 0.54060104590183 0.84878664594732 18.998 > 10 35 F 0.45939895409817 0.54060104590183 0.84878664594732 18.998 > 11 36 F 0.87393437923517 0.12606562076483 0.81788002071934 18.998 > 12 37 F 0.87393437923517 0.74786875847034 0.81788002071934 18.998 > 13 38 F 0.25213124152966 0.12606562076483 0.81788002071934 18.998 > 14 39 F 0.19418269383664 0.38836538767328 0.73405703222829 18.998 > 15 40 Al 0.83333333333333 0.66666666666667 0.16666666666667 26.982 > 40 41 Al 0.83333333333333 0.16666666666667 0.16666666666667 26.982 > 41 42 Al 0.33333333333333 0.16666666666667 0.16666666666667 26.982 > 42 43 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 40 44 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 41 45 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 42 46 Al 0.16666666666667 0.33333333333333 0.83333333333333 26.982 > 40 47 Al 0.16666666666667 0.83333333333333 0.83333333333333 26.982 > 41 48 Al 0.66666666666667 0.83333333333333 0.83333333333333 26.982 > 42 49 Cs 0.33333333333333 0.66666666666667 0.29448304030130 132.905 > 49 50 Cs 0.33333333333333 0.66666666666667 0.03885029303203 132.905 > 50 51 Cs 0.00000000000000 0.00000000000000 0.62781637363463 132.905 > 49 52 Cs 0.00000000000000 0.00000000000000 0.37218362636537 132.905 > 50 53 Cs 0.66666666666667 0.33333333333333 0.96114970696797 132.905 > 49 54 Cs 0.66666666666667 0.33333333333333 0.70551695969870 132.905 > 50 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1635195 0.0000000 0.0000000 0.0000000 2.1635195 0.0000000 0.0000000 0.0000000 2.1481530 -------------------------- Born effective charges -------------------------- 1 Li 1.1130260 0.0000000 0.0000000 0.0000000 1.1130260 0.0000000 -0.0000000 -0.0000000 1.1466527 2 F -1.5017558 -0.0000000 0.0000000 0.0000000 -0.8504300 -0.0422701 -0.0000000 -0.0607903 -0.7976159 3 F -0.9536522 -0.0520523 0.0140089 -0.0520523 -0.8935475 0.0080881 -0.0120437 -0.0069534 -1.2114385 4 F -0.9536522 0.0520523 -0.0140089 0.0520523 -0.8935475 0.0080881 0.0120437 -0.0069534 -1.2114385 5 F -0.9536522 0.0520523 -0.0140089 0.0520523 -0.8935475 0.0080881 0.0120437 -0.0069534 -1.2114385 6 F -0.9536522 -0.0520523 0.0140089 -0.0520523 -0.8935475 0.0080881 -0.0120437 -0.0069534 -1.2114385 7 F -0.8634951 0.0000000 0.0000000 0.0000000 -0.9837046 -0.0161761 -0.0000000 0.0139069 -1.2114385 8 F -1.0132615 0.2820323 0.0366070 0.2820323 -1.3389244 0.0211350 0.0526459 0.0303951 -0.7976159 9 F -1.0132615 -0.2820323 -0.0366070 -0.2820323 -1.3389244 0.0211350 -0.0526459 0.0303951 -0.7976159 10 F -1.0132615 -0.2820323 -0.0366070 -0.2820323 -1.3389244 0.0211350 -0.0526459 0.0303951 -0.7976159 11 F -1.5017558 -0.0000000 0.0000000 0.0000000 -0.8504300 -0.0422701 -0.0000000 -0.0607903 -0.7976159 12 F -1.0132615 0.2820323 0.0366070 0.2820323 -1.3389244 0.0211350 0.0526459 0.0303951 -0.7976159 13 F -0.8634951 0.0000000 0.0000000 0.0000000 -0.9837046 -0.0161761 -0.0000000 0.0139069 -1.2114385 14 Al 2.8847657 -0.0000000 -0.0000000 0.0000000 2.9701147 0.1545535 -0.0000000 0.0044050 2.7400953 15 Al 2.9487775 -0.0369572 0.1338472 -0.0369572 2.9061030 -0.0772767 0.0038148 -0.0022025 2.7400953 16 Al 2.9487775 0.0369572 -0.1338472 0.0369572 2.9061030 -0.0772767 -0.0038148 -0.0022025 2.7400953 17 Cs 1.3514050 0.0000000 0.0000000 0.0000000 1.3514050 0.0000000 -0.0000000 -0.0000000 1.3436941 18 Cs 1.3514050 0.0000000 0.0000000 0.0000000 1.3514050 0.0000000 -0.0000000 -0.0000000 1.3436941 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, 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[ 40, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) 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 00:17:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:17:46]------------------------- 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.493389310966057 2.016909259070411 5.809958266666660 b -3.493389310966050 2.016909259070411 5.809958266666660 c 0.000000000000003 -4.033818518140827 5.809958266666660 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 F 0.30818560004549 0.30818560004549 0.92998873775099 18.998 3 F 0.65430835544499 0.07176027393507 0.07176027393507 18.998 4 F 0.07176027393507 0.65430835544499 0.07176027393507 18.998 5 F 0.92823972606493 0.34569164455501 0.92823972606493 18.998 6 F 0.34569164455501 0.92823972606493 0.92823972606493 18.998 7 F 0.07176027393507 0.07176027393507 0.65430835544499 18.998 8 F 0.92998873775099 0.30818560004549 0.30818560004549 18.998 9 F 0.30818560004549 0.92998873775100 0.30818560004549 18.998 10 F 0.69181439995451 0.07001126224901 0.69181439995451 18.998 11 F 0.69181439995451 0.69181439995451 0.07001126224901 18.998 12 F 0.07001126224901 0.69181439995451 0.69181439995451 18.998 13 F 0.92823972606493 0.92823972606493 0.34569164455501 18.998 14 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 15 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 16 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 17 Cs 0.62781637363463 0.62781637363464 0.62781637363463 132.905 18 Cs 0.37218362636537 0.37218362636537 0.37218362636537 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.986778621932109 0.000000000000000 0.000000000000000 b -3.493389310966054 6.050727777211238 0.000000000000000 c 0.000000000000000 0.000000000000000 17.429874800000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.33333333333333 6.941 > 1 3 Li 0.33333333333333 0.66666666666667 0.66666666666667 6.941 > 1 4 F 0.12606562076483 0.25213124152966 0.18211997928066 18.998 > 4 5 F 0.38836538767328 0.19418269383664 0.26594296777171 18.998 > 5 6 F 0.80581730616336 0.19418269383664 0.26594296777171 18.998 > 6 7 F 0.86084936050331 0.13915063949669 0.06739036556162 18.998 > 7 8 F 0.27830127899338 0.13915063949669 0.06739036556162 18.998 > 8 9 F 0.80581730616336 0.61163461232672 0.26594296777171 18.998 > 9 10 F 0.74786875847034 0.87393437923517 0.18211997928066 18.998 > 10 11 F 0.12606562076483 0.87393437923517 0.18211997928066 18.998 > 11 12 F 0.54060104590183 0.45939895409817 0.15121335405268 18.998 > 12 13 F 0.54060104590183 0.08120209180367 0.15121335405268 18.998 > 13 14 F 0.91879790819633 0.45939895409817 0.15121335405268 18.998 > 14 15 F 0.86084936050331 0.72169872100662 0.06739036556162 18.998 > 15 16 F 0.79273228743150 0.58546457486300 0.51545331261399 18.998 > 4 17 F 0.05503205433995 0.52751602716998 0.59927630110504 18.998 > 5 18 F 0.47248397283003 0.52751602716998 0.59927630110504 18.998 > 6 19 F 0.52751602716997 0.47248397283003 0.40072369889496 18.998 > 7 20 F 0.94496794566005 0.47248397283003 0.40072369889496 18.998 > 8 21 F 0.47248397283003 0.94496794566005 0.59927630110504 18.998 > 9 22 F 0.41453542513700 0.20726771256850 0.51545331261399 18.998 > 10 23 F 0.79273228743150 0.20726771256850 0.51545331261399 18.998 > 11 24 F 0.20726771256850 0.79273228743150 0.48454668738601 18.998 > 12 25 F 0.20726771256850 0.41453542513700 0.48454668738601 18.998 > 13 26 F 0.58546457486300 0.79273228743150 0.48454668738601 18.998 > 14 27 F 0.52751602716997 0.05503205433995 0.40072369889496 18.998 > 15 28 F 0.45939895409817 0.91879790819633 0.84878664594732 18.998 > 4 29 F 0.72169872100662 0.86084936050331 0.93260963443838 18.998 > 5 30 F 0.13915063949669 0.86084936050331 0.93260963443838 18.998 > 6 31 F 0.19418269383664 0.80581730616336 0.73405703222829 18.998 > 7 32 F 0.61163461232672 0.80581730616336 0.73405703222829 18.998 > 8 33 F 0.13915063949669 0.27830127899338 0.93260963443838 18.998 > 9 34 F 0.08120209180367 0.54060104590183 0.84878664594732 18.998 > 10 35 F 0.45939895409817 0.54060104590183 0.84878664594732 18.998 > 11 36 F 0.87393437923517 0.12606562076483 0.81788002071934 18.998 > 12 37 F 0.87393437923517 0.74786875847034 0.81788002071934 18.998 > 13 38 F 0.25213124152966 0.12606562076483 0.81788002071934 18.998 > 14 39 F 0.19418269383664 0.38836538767328 0.73405703222829 18.998 > 15 40 Al 0.83333333333333 0.66666666666667 0.16666666666667 26.982 > 40 41 Al 0.83333333333333 0.16666666666667 0.16666666666667 26.982 > 41 42 Al 0.33333333333333 0.16666666666667 0.16666666666667 26.982 > 42 43 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 40 44 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 41 45 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 42 46 Al 0.16666666666667 0.33333333333333 0.83333333333333 26.982 > 40 47 Al 0.16666666666667 0.83333333333333 0.83333333333333 26.982 > 41 48 Al 0.66666666666667 0.83333333333333 0.83333333333333 26.982 > 42 49 Cs 0.33333333333333 0.66666666666667 0.29448304030130 132.905 > 49 50 Cs 0.33333333333333 0.66666666666667 0.03885029303203 132.905 > 50 51 Cs 0.00000000000000 0.00000000000000 0.62781637363463 132.905 > 49 52 Cs 0.00000000000000 0.00000000000000 0.37218362636537 132.905 > 50 53 Cs 0.66666666666667 0.33333333333333 0.96114970696797 132.905 > 49 54 Cs 0.66666666666667 0.33333333333333 0.70551695969870 132.905 > 50 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1635195 0.0000000 0.0000000 0.0000000 2.1635195 0.0000000 0.0000000 0.0000000 2.1481530 -------------------------- Born effective charges -------------------------- 1 Li 1.1130260 0.0000000 0.0000000 0.0000000 1.1130260 0.0000000 -0.0000000 -0.0000000 1.1466527 2 F -1.5017558 -0.0000000 0.0000000 0.0000000 -0.8504300 -0.0422701 -0.0000000 -0.0607903 -0.7976159 3 F -0.9536522 -0.0520523 0.0140089 -0.0520523 -0.8935475 0.0080881 -0.0120437 -0.0069534 -1.2114385 4 F -0.9536522 0.0520523 -0.0140089 0.0520523 -0.8935475 0.0080881 0.0120437 -0.0069534 -1.2114385 5 F -0.9536522 0.0520523 -0.0140089 0.0520523 -0.8935475 0.0080881 0.0120437 -0.0069534 -1.2114385 6 F -0.9536522 -0.0520523 0.0140089 -0.0520523 -0.8935475 0.0080881 -0.0120437 -0.0069534 -1.2114385 7 F -0.8634951 0.0000000 0.0000000 0.0000000 -0.9837046 -0.0161761 -0.0000000 0.0139069 -1.2114385 8 F -1.0132615 0.2820323 0.0366070 0.2820323 -1.3389244 0.0211350 0.0526459 0.0303951 -0.7976159 9 F -1.0132615 -0.2820323 -0.0366070 -0.2820323 -1.3389244 0.0211350 -0.0526459 0.0303951 -0.7976159 10 F -1.0132615 -0.2820323 -0.0366070 -0.2820323 -1.3389244 0.0211350 -0.0526459 0.0303951 -0.7976159 11 F -1.5017558 -0.0000000 0.0000000 0.0000000 -0.8504300 -0.0422701 -0.0000000 -0.0607903 -0.7976159 12 F -1.0132615 0.2820323 0.0366070 0.2820323 -1.3389244 0.0211350 0.0526459 0.0303951 -0.7976159 13 F -0.8634951 0.0000000 0.0000000 0.0000000 -0.9837046 -0.0161761 -0.0000000 0.0139069 -1.2114385 14 Al 2.8847657 -0.0000000 -0.0000000 0.0000000 2.9701147 0.1545535 -0.0000000 0.0044050 2.7400953 15 Al 2.9487775 -0.0369572 0.1338472 -0.0369572 2.9061030 -0.0772767 0.0038148 -0.0022025 2.7400953 16 Al 2.9487775 0.0369572 -0.1338472 0.0369572 2.9061030 -0.0772767 -0.0038148 -0.0022025 2.7400953 17 Cs 1.3514050 0.0000000 0.0000000 0.0000000 1.3514050 0.0000000 -0.0000000 -0.0000000 1.3436941 18 Cs 1.3514050 0.0000000 0.0000000 0.0000000 1.3514050 0.0000000 -0.0000000 -0.0000000 1.3436941 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 ... [ 9 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 307, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/85) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 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 1.573 ( 0.000 0.000 0.000) 0.000 1.573 ( 0.000 0.000 0.000) 0.000 1.586 ( 0.000 0.000 0.000) 0.000 1.586 ( 0.000 0.000 0.000) 0.000 1.692 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 6.264 ( 0.000 0.000 0.000) 0.000 6.264 ( 0.000 0.000 0.000) 0.000 6.633 ( 0.000 0.000 0.000) 0.000 6.633 ( 0.000 0.000 0.000) 0.000 6.815 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 8.380 ( 0.000 0.000 0.000) 0.000 8.380 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 9.086 ( 0.000 0.000 0.000) 0.000 9.218 ( 0.000 0.000 0.000) 0.000 9.218 ( 0.000 0.000 0.000) 0.000 9.822 ( 0.000 0.000 0.000) 0.000 10.141 ( 0.000 0.000 0.000) 0.000 10.348 ( 0.000 0.000 0.000) 0.000 10.348 ( 0.000 0.000 0.000) 0.000 10.525 ( 0.000 0.000 0.000) 0.000 10.525 ( 0.000 0.000 0.000) 0.000 11.271 ( 0.000 0.000 0.000) 0.000 12.656 ( 0.000 0.000 0.000) 0.000 13.068 ( 0.000 0.000 0.000) 0.000 13.068 ( 0.000 0.000 0.000) 0.000 13.162 ( 0.000 0.000 0.000) 0.000 16.147 ( 0.000 0.000 0.000) 0.000 16.332 ( 0.000 0.000 0.000) 0.000 16.332 ( 0.000 0.000 0.000) 0.000 16.592 ( 0.000 0.000 0.000) 0.000 17.156 ( 0.000 0.000 0.000) 0.000 17.156 ( 0.000 0.000 0.000) 0.000 17.766 ( 0.000 0.000 0.000) 0.000 18.196 ( 0.000 0.000 0.000) 0.000 18.196 ( 0.000 0.000 0.000) 0.000 20.670 ( 0.000 0.000 0.000) 0.000 20.783 ( 0.000 0.000 0.000) 0.000 20.783 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/85) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 19.543 11.283 15.664) 27.471 0.555 ( 20.542 11.860 5.721) 24.400 0.926 ( 33.159 19.144 3.890) 38.485 1.554 ( -1.345 -0.776 -0.517) 1.637 1.582 ( 0.263 0.152 0.383) 0.489 1.678 ( -0.178 -0.103 -1.422) 1.437 1.690 ( 9.593 5.539 0.111) 11.078 2.132 ( 11.143 6.433 -12.023) 17.609 2.473 ( 9.211 5.318 11.760) 15.856 2.883 ( 0.248 0.143 -6.770) 6.776 2.934 ( 2.050 1.184 6.970) 7.361 3.765 ( -6.101 -3.522 -2.941) 7.634 4.406 ( -7.368 -4.254 -1.125) 8.582 5.070 ( -18.937 -10.934 1.588) 21.925 5.331 ( -2.573 -1.486 -0.026) 2.972 5.452 ( -6.563 -3.789 0.483) 7.593 5.609 ( 6.383 3.685 -0.363) 7.379 5.951 ( 10.334 5.966 -0.093) 11.933 6.235 ( -3.808 -2.199 -0.772) 4.464 6.268 ( 1.041 0.601 1.210) 1.705 6.483 ( -5.175 -2.988 -3.182) 6.770 6.613 ( -1.510 -0.872 2.906) 3.390 6.980 ( 9.652 5.572 0.440) 11.153 7.189 ( -2.434 -1.405 -1.023) 2.991 7.294 ( 1.853 1.070 -3.228) 3.873 8.400 ( 1.895 1.094 -0.722) 2.304 8.441 ( 1.684 0.973 -4.349) 4.764 8.669 ( 5.446 3.144 21.198) 22.111 9.182 ( 0.676 0.390 -0.081) 0.784 9.405 ( 24.547 14.172 0.190) 28.345 9.735 ( -5.523 -3.189 -5.227) 8.246 9.846 ( -4.556 -2.631 4.726) 7.072 10.080 ( -5.939 -3.429 0.998) 6.930 10.196 ( -10.049 -5.802 -0.459) 11.613 10.409 ( 4.334 2.502 1.181) 5.142 10.650 ( 7.867 4.542 -0.133) 9.085 11.299 ( 2.794 1.613 -0.525) 3.268 12.086 ( 11.286 6.516 -33.255) 35.717 12.618 ( -3.216 -1.857 -0.917) 3.825 13.068 ( -0.200 -0.115 0.422) 0.481 13.118 ( 3.061 1.767 4.871) 6.018 13.232 ( 6.199 3.579 0.198) 7.161 16.039 ( -6.831 -3.944 -9.421) 12.287 16.202 ( -11.604 -6.700 -0.393) 13.405 16.398 ( -19.297 -11.141 5.446) 22.938 16.816 ( 3.441 1.986 -8.735) 9.596 17.089 ( -6.427 -3.711 -0.156) 7.423 17.625 ( -9.445 -5.453 0.008) 10.906 18.240 ( 9.681 5.589 -19.549) 22.519 18.363 ( 11.953 6.901 0.049) 13.802 19.031 ( 41.611 24.024 -99.910) 110.863 20.788 ( 0.416 0.240 0.209) 0.524 20.791 ( 2.178 1.258 -4.179) 4.878 21.249 ( -38.055 -21.971 119.533) 127.354 ======================= Grid point 2 (3/85) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 10.544 6.088 1.159) 12.231 1.000 ( 15.259 8.810 10.617) 20.571 1.348 ( 8.021 4.631 -2.313) 9.546 1.503 ( -2.580 -1.490 -2.539) 3.914 1.657 ( 4.386 2.532 6.445) 8.197 1.680 ( 1.855 1.071 -1.313) 2.513 1.969 ( 13.710 7.915 2.483) 16.024 2.257 ( 3.155 1.822 5.959) 6.984 2.740 ( 5.550 3.204 -0.478) 6.427 2.833 ( 0.397 0.229 -10.587) 10.597 3.268 ( 27.639 15.957 6.558) 32.581 3.606 ( -4.443 -2.565 -3.819) 6.396 4.219 ( -8.397 -4.848 -1.879) 9.876 4.676 ( -19.193 -11.081 4.407) 22.596 5.248 ( -11.870 -6.853 -1.272) 13.765 5.262 ( -3.429 -1.980 0.332) 3.973 5.711 ( 1.434 0.828 -1.573) 2.284 6.106 ( 6.027 3.480 -2.326) 7.337 6.118 ( -3.376 -1.949 0.042) 3.898 6.327 ( 1.789 1.033 3.351) 3.937 6.461 ( 3.450 1.992 -3.706) 5.441 6.625 ( -0.882 -0.509 5.625) 5.717 7.123 ( -1.445 -0.834 -2.369) 2.898 7.183 ( 8.859 5.115 1.047) 10.283 7.306 ( 1.092 0.631 -3.287) 3.521 8.420 ( -0.418 -0.242 -4.631) 4.656 8.444 ( 2.678 1.546 -0.972) 3.241 9.024 ( 13.923 8.038 18.337) 24.387 9.182 ( 0.217 0.125 -0.085) 0.264 9.548 ( -7.861 -4.538 -4.379) 10.078 9.790 ( -2.808 -1.621 3.362) 4.671 9.913 ( -10.345 -5.973 2.115) 12.131 9.952 ( -8.076 -4.663 -0.457) 9.336 10.110 ( 33.472 19.325 0.953) 38.662 10.509 ( 3.951 2.281 1.295) 4.743 10.824 ( 9.664 5.580 -0.700) 11.181 11.378 ( 5.023 2.900 -1.451) 5.979 12.123 ( 7.576 4.374 -18.112) 20.114 12.515 ( -5.516 -3.185 -1.375) 6.516 13.062 ( -0.704 -0.406 0.533) 0.972 13.244 ( 4.527 2.614 7.839) 9.422 13.393 ( 7.625 4.402 0.126) 8.805 15.762 ( -13.135 -7.583 -10.368) 18.372 15.878 ( -17.131 -9.891 -0.615) 19.791 15.922 ( -24.500 -14.145 0.700) 28.299 16.857 ( 4.957 2.862 -7.886) 9.744 16.867 ( -14.446 -8.341 -0.180) 16.682 17.457 ( -5.754 -3.322 0.014) 6.645 18.338 ( 9.664 5.580 -15.453) 19.061 18.617 ( 11.217 6.476 0.059) 12.952 19.313 ( 22.747 13.133 -30.562) 40.298 20.802 ( 0.649 0.375 0.329) 0.818 20.820 ( 4.523 2.611 -9.178) 10.560 21.186 ( -21.201 -12.240 58.407) 63.330 ======================= Grid point 3 (4/85) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 5.633 3.252 -1.313) 6.635 1.295 ( 7.906 4.565 4.144) 10.026 1.409 ( -4.489 -2.592 -3.343) 6.168 1.415 ( 2.021 1.167 -2.222) 3.222 1.701 ( 1.567 0.905 0.310) 1.836 1.812 ( 4.181 2.414 5.450) 7.281 2.166 ( 1.756 1.014 0.737) 2.157 2.379 ( 5.098 2.943 6.247) 8.584 2.766 ( -2.420 -1.397 3.554) 4.521 2.802 ( 4.209 2.430 -9.450) 10.626 3.621 ( 6.866 3.964 0.010) 7.928 3.852 ( 14.031 8.101 -1.185) 16.245 4.108 ( 5.015 2.895 0.445) 5.808 4.343 ( -13.521 -7.806 4.255) 16.182 4.954 ( -14.512 -8.378 -2.665) 16.967 5.219 ( -0.364 -0.210 0.698) 0.815 5.644 ( -4.166 -2.405 -1.792) 5.134 6.139 ( 3.286 1.897 0.528) 3.830 6.201 ( 4.406 2.544 -2.851) 5.832 6.349 ( -2.021 -1.167 3.696) 4.371 6.530 ( 4.206 2.429 -2.268) 5.361 6.611 ( -2.757 -1.592 4.369) 5.406 7.136 ( 3.311 1.912 -1.496) 4.106 7.289 ( 0.240 0.138 -4.394) 4.403 7.360 ( 5.527 3.191 2.585) 6.885 8.385 ( 0.258 0.149 -4.434) 4.444 8.493 ( 2.238 1.292 -0.730) 2.686 9.208 ( 2.548 1.471 -0.138) 2.945 9.287 ( -2.609 -1.507 3.568) 4.670 9.476 ( 5.050 2.916 2.822) 6.479 9.685 ( -11.654 -6.728 5.486) 14.532 9.724 ( -10.680 -6.166 -0.307) 12.336 9.828 ( 5.280 3.048 5.267) 8.057 10.584 ( 2.374 1.370 0.898) 2.884 10.708 ( 13.307 7.683 1.294) 15.420 11.224 ( 33.098 19.109 -0.702) 38.225 11.474 ( 4.917 2.839 -3.356) 6.595 12.177 ( 6.006 3.467 -10.016) 12.183 12.384 ( -5.385 -3.109 -1.721) 6.451 13.038 ( -2.412 -1.393 0.877) 2.920 13.378 ( 2.706 1.562 7.131) 7.786 13.483 ( -0.727 -0.420 -0.866) 1.205 15.354 ( -22.188 -12.810 10.292) 27.611 15.490 ( -10.258 -5.922 -20.543) 23.713 15.555 ( -10.669 -6.160 -0.347) 12.325 16.505 ( -18.359 -10.599 -0.131) 21.199 16.911 ( 3.854 2.225 -5.197) 6.842 17.377 ( -2.213 -1.278 0.007) 2.555 18.436 ( 6.207 3.584 -7.821) 10.608 18.819 ( 7.470 4.313 0.048) 8.625 19.566 ( 13.235 7.641 -11.512) 19.133 20.817 ( 0.581 0.335 0.298) 0.734 20.866 ( 6.801 3.927 -14.132) 16.168 21.101 ( -15.537 -8.970 37.519) 41.588 ======================= Grid point 4 (5/85) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 2.851 1.646 -1.149) 3.487 1.294 ( -3.725 -2.150 -1.493) 4.553 1.407 ( 1.932 1.115 0.704) 2.339 1.434 ( 0.722 0.417 -0.731) 1.108 1.732 ( 0.843 0.486 0.248) 1.004 1.894 ( 1.274 0.735 2.152) 2.606 2.123 ( -2.587 -1.494 -0.398) 3.014 2.546 ( 7.267 4.195 2.710) 8.818 2.696 ( -5.792 -3.344 1.906) 6.954 2.871 ( 4.352 2.512 -4.310) 6.620 3.755 ( 1.143 0.660 3.334) 3.585 3.855 ( -1.930 -1.114 -1.596) 2.741 4.277 ( 8.012 4.626 1.042) 9.310 4.347 ( 6.941 4.007 0.356) 8.022 4.605 ( -16.289 -9.404 -2.365) 18.957 5.243 ( 1.138 0.657 0.541) 1.421 5.586 ( -0.447 -0.258 -0.507) 0.723 6.205 ( 1.916 1.106 0.235) 2.225 6.255 ( 2.500 1.444 -2.843) 4.052 6.305 ( -3.214 -1.856 3.233) 4.922 6.587 ( 1.697 0.980 -0.608) 2.051 6.599 ( -0.319 -0.184 1.380) 1.429 7.195 ( 1.869 1.079 -0.305) 2.179 7.259 ( -0.610 -0.352 -1.894) 2.021 7.445 ( 1.460 0.843 0.919) 1.920 8.380 ( 0.857 0.495 -1.758) 2.018 8.523 ( 0.798 0.461 -0.260) 0.958 9.233 ( -0.312 -0.180 -1.400) 1.446 9.289 ( 4.548 2.626 -0.106) 5.252 9.445 ( -5.989 -3.458 0.438) 6.929 9.520 ( -7.511 -4.336 -0.070) 8.673 9.592 ( -1.004 -0.579 3.265) 3.465 10.042 ( 6.450 3.724 5.307) 9.145 10.621 ( 0.765 0.442 0.332) 0.944 10.841 ( 2.129 1.229 0.286) 2.474 11.525 ( 1.767 1.020 -2.865) 3.517 11.949 ( 27.116 15.656 0.138) 31.312 12.240 ( 1.946 1.123 1.517) 2.711 12.289 ( -1.152 -0.665 -5.059) 5.231 12.934 ( -8.209 -4.739 0.793) 9.512 13.365 ( -5.856 -3.381 -1.129) 6.855 13.429 ( -0.423 -0.244 2.591) 2.637 15.097 ( -8.809 -5.086 15.932) 18.903 15.202 ( -3.729 -2.153 -19.988) 20.447 15.467 ( 0.817 0.472 0.039) 0.944 16.163 ( -11.025 -6.365 -0.080) 12.730 16.947 ( 1.444 0.834 -1.810) 2.461 17.349 ( -0.569 -0.328 0.002) 0.657 18.493 ( 2.097 1.210 -2.278) 3.324 18.927 ( 2.597 1.499 0.018) 2.998 19.710 ( 4.435 2.561 -3.100) 5.986 20.828 ( 0.232 0.134 0.120) 0.294 20.928 ( 8.775 5.067 -18.564) 21.150 21.012 ( -11.583 -6.687 25.610) 28.892 ======================= Grid point 10 (6/85) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 0.000 21.960 8.131) 23.417 0.649 ( -0.000 16.589 20.490) 26.364 0.980 ( 0.000 32.178 9.242) 33.479 1.547 ( 0.000 1.317 -1.062) 1.692 1.576 ( -0.000 -0.326 -0.116) 0.346 1.666 ( 0.000 0.449 -2.045) 2.094 1.677 ( 0.000 8.310 -1.455) 8.436 2.086 ( 0.000 24.643 -8.016) 25.914 2.582 ( -0.000 3.924 13.656) 14.209 2.796 ( 0.000 -4.681 -6.250) 7.809 2.991 ( 0.000 6.037 4.129) 7.314 3.736 ( 0.000 -7.206 -5.803) 9.252 4.403 ( -0.000 -7.567 -1.350) 7.686 5.073 ( -0.000 -22.752 1.785) 22.822 5.312 ( -0.000 -3.359 -1.371) 3.628 5.454 ( -0.000 -6.823 0.759) 6.865 5.625 ( 0.000 7.476 1.249) 7.580 5.982 ( 0.000 13.853 3.045) 14.184 6.239 ( -0.000 -3.968 -0.378) 3.986 6.249 ( 0.000 -0.742 -0.610) 0.961 6.533 ( -0.000 -3.888 1.920) 4.336 6.534 ( 0.000 -5.292 -5.080) 7.336 6.998 ( 0.000 11.650 2.179) 11.852 7.175 ( -0.000 -3.375 -2.373) 4.125 7.279 ( 0.000 3.370 -3.934) 5.181 8.431 ( 0.000 5.137 -2.999) 5.948 8.486 ( -0.000 5.338 7.893) 9.529 8.776 ( -0.000 -4.356 23.998) 24.390 9.184 ( 0.000 0.916 0.089) 0.920 9.400 ( 0.000 27.834 -0.411) 27.837 9.752 ( 0.000 -0.565 -4.095) 4.134 9.846 ( -0.000 -11.125 5.145) 12.258 10.089 ( -0.000 -6.951 1.910) 7.209 10.197 ( -0.000 -11.752 -0.429) 11.759 10.381 ( 0.000 4.001 -1.662) 4.333 10.610 ( 0.000 8.247 -4.148) 9.231 11.295 ( 0.000 3.445 -0.996) 3.586 11.852 ( 0.000 33.884 -44.211) 55.702 12.608 ( -0.000 -3.818 -1.977) 4.300 13.100 ( -0.000 1.109 3.382) 3.560 13.138 ( -0.000 2.045 7.306) 7.586 13.233 ( 0.000 7.267 0.555) 7.288 15.957 ( 0.000 -8.050 -15.599) 17.554 16.210 ( -0.000 -12.952 0.375) 12.958 16.283 ( -0.000 -24.175 -4.023) 24.508 16.845 ( 0.000 5.144 -3.241) 6.080 17.091 ( -0.000 -7.340 0.078) 7.340 17.626 ( -0.000 -10.891 0.050) 10.891 18.212 ( 0.000 37.375 -45.253) 58.692 18.368 ( 0.000 13.940 0.540) 13.951 18.454 ( 0.000 41.161 -29.888) 50.868 20.724 ( 0.000 -1.844 -6.259) 6.525 20.813 ( 0.000 4.392 -1.858) 4.769 21.909 ( -0.000 -60.811 84.027) 103.724 ======================= Grid point 11 (7/85) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 5.898 11.347 3.257) 13.196 0.967 ( 8.547 10.070 12.583) 18.243 1.295 ( 5.937 9.909 -0.209) 11.554 1.533 ( -3.493 -0.020 -0.348) 3.510 1.630 ( 5.930 3.362 4.944) 8.421 1.664 ( 0.429 1.055 -1.443) 1.839 1.895 ( 13.500 14.855 -0.250) 20.075 2.255 ( 2.109 3.847 3.521) 5.626 2.707 ( 4.991 -3.384 -6.474) 8.847 2.806 ( -2.520 21.821 3.200) 22.197 3.153 ( 7.799 10.306 6.000) 14.249 3.613 ( 0.138 -1.776 -6.633) 6.868 4.273 ( -5.816 -6.647 -1.323) 8.931 4.782 ( -9.914 -21.547 3.828) 24.025 5.275 ( -0.423 -5.031 -1.537) 5.278 5.332 ( -7.212 -8.197 1.035) 10.967 5.697 ( 0.880 4.414 -0.686) 4.553 6.064 ( -4.620 -0.967 1.602) 4.985 6.154 ( -0.688 1.198 -0.375) 1.432 6.320 ( 5.237 2.578 1.255) 5.971 6.420 ( -0.616 0.337 -3.532) 3.601 6.620 ( 5.627 -0.442 2.409) 6.137 7.091 ( 0.388 0.438 -2.144) 2.222 7.171 ( 2.780 4.882 0.698) 5.661 7.269 ( -0.110 1.453 -4.689) 4.910 8.454 ( -1.405 4.465 -2.342) 5.234 8.532 ( -6.676 6.694 8.534) 12.736 8.970 ( 10.771 4.471 17.480) 21.014 9.328 ( 1.878 6.485 0.091) 6.752 9.565 ( -6.853 -1.141 -2.124) 7.264 9.743 ( 2.143 -4.796 3.032) 6.066 9.861 ( 15.647 23.612 -0.480) 28.330 9.983 ( -4.963 -9.128 2.712) 10.738 10.113 ( -4.812 -5.118 -0.817) 7.072 10.359 ( 3.585 -3.279 -0.233) 4.864 10.762 ( 8.104 8.231 -4.036) 12.236 11.345 ( 2.157 4.976 -1.560) 5.643 11.958 ( 7.265 19.745 -26.215) 33.614 12.527 ( -2.657 -5.410 -2.676) 6.595 13.112 ( -2.560 1.555 3.936) 4.946 13.246 ( 3.717 1.417 9.148) 9.975 13.357 ( 4.348 8.675 1.542) 9.825 15.714 ( -5.797 -11.366 -17.027) 21.277 15.751 ( -13.521 -29.425 -1.643) 32.425 16.329 ( 5.554 -12.287 -0.237) 13.486 16.729 ( -10.615 2.692 -5.794) 12.389 16.984 ( -5.388 -7.889 0.011) 9.554 17.391 ( -7.918 -13.097 -0.353) 15.309 18.283 ( 2.411 19.946 -15.424) 25.329 18.623 ( 4.827 18.359 -0.518) 18.990 18.864 ( 26.733 21.702 -22.516) 41.141 20.679 ( 2.860 -2.518 -8.856) 9.641 20.843 ( -0.348 6.020 -3.040) 6.753 21.713 ( -18.584 -31.485 54.565) 65.681 ======================= Grid point 12 (8/85) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 4.101 5.391 -1.724) 6.989 1.212 ( 7.818 1.928 3.599) 8.820 1.379 ( 2.346 1.305 -3.537) 4.440 1.476 ( -4.376 1.736 1.130) 4.842 1.683 ( 1.530 1.450 -0.850) 2.273 1.791 ( 5.215 1.578 5.498) 7.740 2.254 ( 9.345 13.679 0.155) 16.567 2.277 ( 1.439 -4.688 -0.005) 4.904 2.713 ( -3.380 2.825 6.451) 7.812 2.933 ( -0.506 13.256 -4.233) 13.925 3.290 ( 11.448 -11.858 0.247) 16.485 3.868 ( 10.770 22.879 -2.236) 25.386 4.143 ( -2.349 2.895 1.017) 3.864 4.467 ( -10.558 -15.839 5.561) 19.831 5.033 ( -12.032 -14.247 -0.837) 18.666 5.264 ( -1.377 2.058 -1.086) 2.703 5.682 ( -4.294 -0.125 -2.718) 5.083 5.985 ( 4.187 -9.441 1.675) 10.462 6.209 ( 0.952 5.897 -0.404) 5.987 6.427 ( 0.498 -0.758 -0.262) 0.944 6.439 ( 4.273 5.054 0.346) 6.627 6.682 ( -0.658 0.039 3.012) 3.083 7.085 ( 3.650 1.545 -4.438) 5.950 7.236 ( 0.880 0.059 -5.796) 5.862 7.315 ( 4.920 3.328 3.274) 6.782 8.428 ( -4.389 3.567 0.534) 5.681 8.565 ( -3.625 8.499 4.948) 10.481 9.309 ( 4.882 -0.947 10.066) 11.227 9.339 ( -8.554 12.648 -0.502) 15.277 9.426 ( 2.320 0.036 -1.532) 2.780 9.714 ( 3.575 -7.378 3.357) 8.859 9.794 ( -8.151 -10.702 4.418) 14.159 9.952 ( -11.008 3.239 1.086) 11.526 10.402 ( 8.422 -6.764 -0.139) 10.803 10.589 ( 32.728 23.725 0.499) 40.425 10.934 ( 8.808 7.612 -4.590) 12.514 11.423 ( 3.195 5.341 -2.459) 6.692 12.110 ( 6.907 18.223 -14.253) 24.144 12.402 ( -3.791 -5.912 -2.910) 7.602 13.098 ( -3.845 0.260 4.183) 5.688 13.353 ( 2.929 -3.971 6.630) 8.264 13.500 ( 1.765 5.770 3.012) 6.744 15.282 ( -7.587 -30.311 2.194) 31.323 15.407 ( -6.912 -7.640 -20.230) 22.702 16.094 ( -27.307 6.256 1.430) 28.050 16.643 ( 2.911 -12.070 -4.270) 13.129 16.760 ( -8.847 -5.770 -1.211) 10.632 17.224 ( 4.067 -17.295 0.310) 17.769 18.431 ( 3.145 16.845 -7.558) 18.729 18.828 ( 2.400 14.329 -0.562) 14.539 19.287 ( 21.257 9.500 -11.004) 25.753 20.656 ( 5.362 -2.863 -11.197) 12.741 20.869 ( -0.755 6.493 -4.220) 7.781 21.500 ( -16.923 -17.534 37.748) 44.930 ======================= Grid point 13 (9/85) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 3.909 3.183 -2.193) 5.497 1.279 ( 1.770 -4.712 -0.379) 5.048 1.394 ( 1.250 2.405 -2.799) 3.896 1.461 ( -1.988 2.113 3.125) 4.264 1.720 ( 1.605 1.570 -1.180) 2.537 1.879 ( 2.335 -0.969 2.549) 3.590 2.220 ( 0.865 -7.336 -2.449) 7.782 2.396 ( -0.253 7.589 -2.970) 8.153 2.739 ( -3.981 1.656 10.503) 11.353 3.007 ( -3.022 16.935 -5.552) 18.076 3.477 ( 21.092 -13.426 2.982) 25.180 3.907 ( -4.553 0.456 -2.354) 5.146 4.212 ( -0.135 -8.294 2.874) 8.779 4.449 ( 0.292 20.647 3.240) 20.902 4.695 ( -11.376 -15.011 -1.173) 18.871 5.291 ( -0.500 7.202 -0.642) 7.248 5.593 ( -2.512 -0.091 -1.642) 3.003 6.031 ( 10.070 -9.291 0.736) 13.721 6.257 ( -0.258 3.366 -1.584) 3.729 6.364 ( -3.836 -6.454 2.303) 7.854 6.548 ( 3.335 4.706 -0.212) 5.772 6.689 ( -2.629 5.861 0.577) 6.450 7.160 ( 4.315 2.464 -2.258) 5.458 7.205 ( 1.255 -1.159 -5.941) 6.182 7.415 ( 3.224 -1.690 3.473) 5.031 8.420 ( -2.325 4.730 2.142) 5.689 8.615 ( -4.043 8.412 4.602) 10.406 9.199 ( -2.381 -4.223 -1.483) 5.070 9.396 ( -4.962 14.010 -0.125) 14.864 9.442 ( -2.049 -5.845 -1.235) 6.316 9.618 ( -6.492 -5.441 2.903) 8.954 9.716 ( -8.136 3.319 1.309) 8.884 9.988 ( 7.412 2.622 7.485) 10.855 10.448 ( 8.247 -11.123 0.242) 13.849 10.987 ( -3.374 17.194 -1.112) 17.557 11.333 ( 29.309 -1.510 -7.081) 30.190 11.562 ( 13.570 7.534 1.327) 15.578 12.266 ( -1.594 -4.449 -1.423) 4.935 12.364 ( 4.681 24.638 -5.273) 25.627 13.010 ( -7.363 -9.074 3.069) 12.082 13.312 ( -1.029 -10.279 1.827) 10.491 13.530 ( -5.046 1.584 3.953) 6.603 15.009 ( -0.977 -13.940 -8.757) 16.491 15.169 ( -1.433 -6.197 -4.253) 7.651 15.787 ( -21.074 14.931 1.862) 25.895 16.342 ( -17.796 -6.549 -0.374) 18.967 16.762 ( 11.805 -12.405 -1.647) 17.204 17.169 ( 8.506 -18.339 0.416) 20.220 18.570 ( -0.838 15.869 -3.273) 16.224 18.952 ( 0.264 8.493 0.087) 8.497 19.567 ( 13.010 2.546 -4.209) 13.909 20.653 ( 7.380 -2.847 -13.360) 15.526 20.881 ( -0.959 5.443 -5.171) 7.569 21.331 ( -14.375 -9.736 26.359) 31.563 ======================= Grid point 14 (10/85) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.834 0.461 -0.856) 1.281 1.268 ( 2.298 -1.994 2.782) 4.122 1.413 ( 0.083 1.876 -2.244) 2.926 1.469 ( -1.502 0.674 3.577) 3.938 1.733 ( -0.032 0.573 -2.279) 2.350 1.884 ( -0.508 -2.099 -0.775) 2.294 2.193 ( 1.192 1.142 1.484) 2.220 2.429 ( 3.658 -0.669 -5.389) 6.547 2.694 ( -7.590 -0.012 3.811) 8.493 3.084 ( -4.982 15.888 -1.920) 16.761 3.566 ( 6.694 -19.395 0.958) 20.540 3.860 ( -0.179 2.468 0.297) 2.492 4.323 ( -1.841 -7.814 -0.093) 8.029 4.351 ( 7.750 -3.708 1.943) 8.808 4.601 ( -6.726 11.585 1.692) 13.502 5.320 ( -4.325 7.618 -0.741) 8.791 5.586 ( 0.143 0.849 -0.336) 0.924 6.098 ( 5.923 -10.462 0.717) 12.044 6.228 ( 3.080 -3.541 -3.187) 5.673 6.305 ( -1.678 -0.445 1.686) 2.420 6.607 ( -0.908 2.277 0.541) 2.511 6.690 ( -5.300 8.024 -1.168) 9.688 7.203 ( 2.018 -0.597 -1.643) 2.670 7.208 ( 2.406 1.330 -2.859) 3.967 7.434 ( 0.719 -4.631 2.943) 5.534 8.444 ( -2.522 3.148 3.654) 5.443 8.645 ( -6.101 8.407 5.732) 11.864 9.176 ( 3.756 -4.457 0.297) 5.836 9.352 ( -0.148 1.378 -2.439) 2.805 9.457 ( 1.389 -1.039 0.583) 1.830 9.520 ( -10.090 13.092 -0.974) 16.558 9.640 ( -3.836 4.358 -0.610) 5.838 10.048 ( -2.849 -4.642 -3.270) 6.353 10.465 ( 6.720 -12.112 0.627) 13.866 11.025 ( -7.915 14.374 -2.286) 16.568 11.516 ( 5.346 -2.244 3.710) 6.884 11.843 ( 8.580 -12.790 -0.633) 15.414 12.214 ( 2.223 -3.387 -1.682) 4.386 12.612 ( -11.522 22.855 0.388) 25.598 12.794 ( 5.793 -11.908 0.341) 13.247 13.262 ( 1.726 -4.272 3.245) 5.635 13.464 ( -2.957 0.260 -0.128) 2.971 14.857 ( 4.009 -3.763 -15.643) 16.581 15.212 ( 6.499 -1.826 10.347) 12.354 15.722 ( -12.048 19.125 1.457) 22.651 16.129 ( -1.511 3.171 -0.057) 3.513 16.815 ( 9.609 -13.880 1.888) 16.986 17.153 ( 10.450 -18.606 0.207) 21.341 18.644 ( -5.884 13.709 0.194) 14.920 18.994 ( -2.746 4.760 0.426) 5.512 19.695 ( 4.687 -2.870 1.119) 5.608 20.665 ( 8.726 -2.486 -15.582) 18.031 20.872 ( -0.706 3.243 -5.914) 6.781 21.196 ( -12.168 -3.999 17.149) 21.405 ======================= Grid point 15 (11/85) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -3.260 -2.078 -0.275) 3.876 1.307 ( -0.807 -3.713 0.796) 3.882 1.416 ( 0.406 3.015 -0.482) 3.080 1.475 ( -2.041 1.284 5.575) 6.074 1.703 ( -1.020 -0.841 -3.482) 3.724 1.821 ( -3.271 -2.186 -2.651) 4.744 2.283 ( 1.232 4.724 3.771) 6.169 2.395 ( -6.122 3.411 -3.793) 7.969 2.617 ( 0.632 -2.160 -1.955) 2.982 3.068 ( -10.763 9.137 2.039) 14.265 3.425 ( 3.337 -24.254 -2.674) 24.628 3.948 ( 4.256 4.955 1.713) 6.753 4.180 ( 4.634 -4.882 -0.478) 6.748 4.413 ( -21.433 7.182 0.129) 22.604 4.729 ( 18.924 0.481 2.260) 19.065 5.289 ( -5.724 5.726 -0.891) 8.145 5.616 ( 2.909 2.896 0.820) 4.186 6.025 ( 2.487 -14.445 -0.069) 14.658 6.273 ( -2.358 0.644 -0.195) 2.452 6.320 ( 7.208 1.247 -1.630) 7.494 6.559 ( -5.603 -0.716 0.587) 5.679 6.663 ( -4.853 5.975 -1.927) 7.935 7.177 ( -2.442 -0.797 -0.773) 2.682 7.273 ( 3.376 1.500 -0.196) 3.700 7.390 ( -2.785 -5.135 1.890) 6.139 8.441 ( -2.183 -0.028 4.323) 4.843 8.649 ( -8.602 8.556 8.114) 14.596 9.204 ( 3.544 -1.936 -1.816) 4.428 9.397 ( -11.319 10.180 -0.634) 15.236 9.459 ( 2.339 -2.021 0.480) 3.128 9.492 ( 9.580 1.048 -9.007) 13.191 9.701 ( 0.163 8.422 -0.023) 8.424 9.857 ( -5.361 -3.362 -4.392) 7.703 10.444 ( 4.924 -12.378 -0.402) 13.327 10.966 ( -13.356 11.182 -3.282) 17.725 11.463 ( -20.244 -26.164 5.218) 33.490 11.557 ( -7.319 -3.698 1.223) 8.291 12.265 ( 6.664 1.250 -1.147) 6.877 12.463 ( -15.808 7.846 4.569) 18.230 12.987 ( 10.378 0.846 0.595) 10.430 13.289 ( 3.555 -5.483 -1.119) 6.630 13.473 ( 2.265 2.103 -0.975) 3.241 14.904 ( 16.388 -3.647 -9.177) 19.133 15.426 ( 10.927 2.863 10.057) 15.124 15.778 ( -2.888 23.808 0.900) 24.000 16.348 ( 14.509 12.993 0.203) 19.478 16.833 ( 6.540 -14.921 5.047) 17.055 17.164 ( 11.818 -17.341 -0.103) 20.985 18.637 ( -9.078 8.428 3.268) 12.811 18.960 ( -7.587 4.831 0.886) 9.038 19.690 ( -2.669 -6.738 7.760) 10.618 20.680 ( 9.132 -1.766 -18.814) 20.987 20.844 ( -0.231 1.009 -6.519) 6.601 21.085 ( -10.095 -0.246 9.139) 13.619 ======================= Grid point 16 (12/85) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -7.539 -2.348 -0.752) 7.932 1.140 ( -13.501 -3.606 -3.165) 14.328 1.436 ( -1.714 -0.397 2.239) 2.848 1.518 ( -0.091 2.693 5.120) 5.786 1.641 ( -1.854 -2.236 -6.047) 6.709 1.725 ( -4.359 -1.050 -0.462) 4.507 2.228 ( -20.451 4.986 -1.077) 21.077 2.259 ( -3.356 -2.005 -1.882) 4.339 2.688 ( 7.615 0.781 0.538) 7.674 2.992 ( -8.709 3.977 3.201) 10.094 3.270 ( 3.764 -18.286 -1.301) 18.715 3.893 ( -28.593 3.542 0.223) 28.813 4.152 ( 2.169 2.268 1.533) 3.493 4.379 ( 19.753 1.466 -2.712) 19.992 5.052 ( 18.145 1.247 0.988) 18.215 5.273 ( -1.166 3.577 -0.163) 3.766 5.720 ( 2.267 3.942 1.211) 4.706 5.967 ( 6.433 -10.108 -0.189) 11.983 6.221 ( -4.290 -0.247 0.829) 4.376 6.390 ( -4.449 5.178 -1.821) 7.066 6.471 ( 0.113 -4.777 0.853) 4.854 6.623 ( -3.364 2.848 -2.389) 5.013 7.134 ( -1.279 -0.022 0.298) 1.314 7.266 ( -5.658 -2.793 -1.163) 6.416 7.326 ( -0.520 -0.340 2.561) 2.636 8.440 ( -0.437 -0.859 2.622) 2.793 8.638 ( -10.403 8.540 11.604) 17.772 9.024 ( -11.802 -10.353 -17.066) 23.188 9.350 ( -6.035 13.535 0.453) 14.826 9.479 ( 5.060 -0.109 3.128) 5.950 9.650 ( 6.228 -4.313 -2.794) 8.074 9.748 ( 11.986 0.375 -0.807) 12.019 9.945 ( 4.595 12.459 0.134) 13.280 10.394 ( 2.639 -10.495 -0.966) 10.865 10.563 ( -37.771 -11.253 -2.069) 39.465 10.989 ( -13.023 -3.723 1.047) 13.585 11.457 ( -6.215 -1.615 1.032) 6.504 12.321 ( -8.382 3.066 6.583) 11.091 12.429 ( 7.444 0.600 -0.098) 7.469 13.086 ( 0.249 2.697 2.802) 3.897 13.220 ( -1.993 -4.743 -5.868) 7.804 13.478 ( -4.356 -0.913 0.138) 4.453 15.213 ( 32.217 -4.965 -3.355) 32.770 15.709 ( 12.809 3.094 7.153) 14.994 16.067 ( 7.460 26.013 -1.853) 27.125 16.706 ( 14.495 7.432 0.883) 16.313 16.830 ( 5.177 -9.984 5.241) 12.407 17.221 ( 13.478 -12.652 -0.080) 18.486 18.556 ( -9.659 1.830 4.085) 10.646 18.849 ( -13.670 5.509 1.482) 14.813 19.623 ( -6.764 -6.524 17.952) 20.263 20.671 ( 8.193 -0.642 -25.441) 26.736 20.804 ( -0.557 -0.482 -3.957) 4.025 20.983 ( -7.951 0.958 2.859) 8.504 ======================= Grid point 17 (13/85) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -19.116 0.000 0.000) 19.116 0.832 ( -19.466 0.000 0.000) 19.466 1.306 ( -18.464 0.000 0.000) 18.464 1.558 ( 0.247 -0.000 -0.000) 0.247 1.563 ( -0.321 0.000 0.000) 0.321 1.684 ( -0.774 0.000 0.000) 0.774 1.898 ( -19.251 0.000 0.000) 19.251 2.198 ( -1.931 0.000 0.000) 1.931 2.796 ( -23.650 0.000 0.000) 23.650 2.811 ( 5.793 -0.000 -0.000) 5.793 3.049 ( -14.548 0.000 0.000) 14.548 3.684 ( 3.513 -0.000 -0.000) 3.513 4.287 ( 9.344 -0.000 -0.000) 9.344 4.740 ( 24.211 -0.000 -0.000) 24.211 5.298 ( 1.964 -0.000 -0.000) 1.964 5.316 ( 12.882 -0.000 -0.000) 12.882 5.704 ( -5.501 0.000 0.000) 5.501 6.047 ( 2.975 -0.000 -0.000) 2.975 6.159 ( -0.712 0.000 0.000) 0.712 6.306 ( -4.377 0.000 0.000) 4.377 6.467 ( 0.217 -0.000 -0.000) 0.217 6.586 ( -1.003 0.000 0.000) 1.003 7.099 ( -6.783 0.000 0.000) 6.783 7.179 ( -0.086 0.000 0.000) 0.086 7.321 ( -1.070 0.000 0.000) 1.070 8.434 ( -1.095 0.000 0.000) 1.095 8.616 ( -9.129 0.000 0.000) 9.129 8.652 ( -11.200 0.000 0.000) 11.200 9.327 ( -6.618 0.000 0.000) 6.618 9.593 ( 0.952 -0.000 -0.000) 0.952 9.706 ( 6.531 -0.000 -0.000) 6.531 9.866 ( -27.405 0.000 0.000) 27.405 9.957 ( 8.877 -0.000 -0.000) 8.877 10.120 ( 7.447 -0.000 -0.000) 7.447 10.361 ( 1.024 -0.000 -0.000) 1.024 10.802 ( -11.049 0.000 0.000) 11.049 11.358 ( -5.232 0.000 0.000) 5.232 12.253 ( -4.751 0.000 0.000) 4.751 12.552 ( 6.349 -0.000 -0.000) 6.349 13.108 ( -2.518 0.000 0.000) 2.518 13.117 ( -2.126 0.000 0.000) 2.126 13.347 ( -9.455 0.000 0.000) 9.455 15.734 ( 35.208 -0.000 -0.000) 35.208 15.942 ( 11.142 -0.000 -0.000) 11.142 16.333 ( 8.007 -0.000 -0.000) 8.007 16.818 ( 2.944 -0.000 -0.000) 2.944 16.984 ( 9.699 -0.000 -0.000) 9.699 17.396 ( 15.977 -0.000 -0.000) 15.977 18.424 ( -9.279 0.000 0.000) 9.279 18.628 ( -18.137 0.000 0.000) 18.137 19.602 ( -4.178 0.000 0.000) 4.178 20.626 ( 2.887 -0.000 -0.000) 2.887 20.782 ( -0.281 0.000 0.000) 0.281 20.886 ( -5.727 0.000 0.000) 5.727 ======================= Grid point 20 (14/85) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 0.000 9.420 4.024) 10.244 1.061 ( -0.000 6.671 9.646) 11.728 1.302 ( 0.000 5.350 -6.745) 8.609 1.585 ( -0.000 1.234 1.818) 2.198 1.631 ( -0.000 2.701 4.831) 5.535 1.679 ( 0.000 2.342 0.073) 2.343 1.883 ( 0.000 17.126 -3.132) 17.410 2.236 ( -0.000 -9.694 -1.592) 9.824 2.659 ( 0.000 6.192 3.646) 7.186 3.184 ( -0.000 6.119 4.978) 7.888 3.226 ( 0.000 41.762 4.472) 42.001 3.490 ( 0.000 -6.512 -7.875) 10.218 4.257 ( -0.000 -5.261 -0.307) 5.270 4.671 ( -0.000 -23.063 3.479) 23.324 5.219 ( -0.000 -4.567 -0.708) 4.621 5.299 ( -0.000 -11.345 1.077) 11.396 5.731 ( 0.000 0.952 -0.639) 1.146 6.162 ( -0.000 -1.559 1.461) 2.137 6.189 ( 0.000 2.253 -1.579) 2.751 6.281 ( 0.000 5.762 4.411) 7.257 6.378 ( 0.000 -2.904 -5.575) 6.286 6.572 ( 0.000 3.146 1.937) 3.695 7.036 ( 0.000 -5.370 -5.564) 7.732 7.230 ( 0.000 6.780 1.970) 7.060 7.259 ( 0.000 2.892 -4.423) 5.284 8.504 ( 0.000 7.217 -2.981) 7.808 8.741 ( -0.000 7.212 12.475) 14.410 9.098 ( -0.000 6.071 21.066) 21.923 9.190 ( 0.000 0.477 0.206) 0.520 9.666 ( -0.000 -4.841 -2.590) 5.490 9.694 ( -0.000 -8.179 2.047) 8.432 9.920 ( 0.000 -2.221 -2.852) 3.615 9.941 ( -0.000 -12.304 3.273) 12.732 10.093 ( 0.000 28.368 0.385) 28.370 10.435 ( 0.000 4.612 -2.147) 5.087 10.706 ( 0.000 11.985 -5.982) 13.395 11.377 ( 0.000 7.112 -1.195) 7.211 11.944 ( 0.000 23.369 -23.598) 33.211 12.469 ( -0.000 -7.160 -3.536) 7.986 13.188 ( -0.000 1.744 5.670) 5.932 13.284 ( -0.000 1.610 7.858) 8.021 13.438 ( 0.000 10.951 4.699) 11.916 15.533 ( 0.000 -11.071 -20.677) 23.454 15.678 ( -0.000 -35.709 -1.373) 35.736 15.908 ( -0.000 -19.044 0.791) 19.061 16.871 ( -0.000 -16.816 0.020) 16.816 16.913 ( 0.000 5.829 -2.231) 6.241 17.457 ( -0.000 -6.738 0.016) 6.738 18.339 ( 0.000 17.890 -16.122) 24.082 18.635 ( 0.000 13.224 0.813) 13.249 18.851 ( 0.000 28.627 -10.948) 30.649 20.569 ( 0.000 -3.063 -10.197) 10.647 20.885 ( 0.000 7.236 -4.140) 8.336 21.853 ( -0.000 -32.334 41.813) 52.857 ======================= Grid point 21 (15/85) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -0.387 4.828 -1.459) 5.058 1.160 ( 2.596 -0.893 4.416) 5.200 1.314 ( 3.225 3.028 -7.789) 8.957 1.570 ( -3.540 1.365 2.332) 4.454 1.674 ( 0.335 1.229 -1.163) 1.725 1.753 ( 4.476 1.104 4.378) 6.358 2.052 ( 3.058 -7.127 -6.407) 10.059 2.254 ( 17.667 9.798 0.201) 20.204 2.804 ( 2.715 9.026 9.137) 13.127 3.166 ( -17.426 2.301 -3.341) 17.892 3.221 ( -4.366 6.766 3.948) 8.968 3.841 ( 14.703 19.905 -1.695) 24.804 4.225 ( -1.417 6.343 2.360) 6.914 4.463 ( -3.701 -15.483 4.608) 16.573 5.071 ( -9.120 -13.592 0.043) 16.369 5.249 ( 2.648 -2.655 -0.514) 3.785 5.695 ( -0.636 -2.357 -2.683) 3.628 5.992 ( -11.302 -3.521 1.282) 11.907 6.269 ( 1.318 5.880 1.232) 6.151 6.318 ( 2.817 -2.671 -2.657) 4.704 6.463 ( 6.006 5.853 2.227) 8.677 6.647 ( 3.622 -1.120 1.726) 4.166 6.983 ( 3.987 -1.898 -6.282) 7.679 7.189 ( -0.165 -2.244 -6.484) 6.863 7.346 ( 0.145 7.363 3.012) 7.957 8.536 ( -2.696 7.670 -2.066) 8.388 8.824 ( -8.948 8.568 13.033) 17.982 9.232 ( 11.411 1.541 10.291) 15.443 9.374 ( 1.412 -4.139 1.887) 4.763 9.563 ( -3.678 7.041 0.492) 7.959 9.620 ( -0.295 -7.146 1.519) 7.311 9.806 ( -4.009 -13.137 3.537) 14.183 9.969 ( 12.358 -8.633 0.989) 15.107 10.337 ( -7.767 1.597 -1.640) 8.097 10.433 ( 8.259 25.974 -4.793) 27.674 10.925 ( 6.825 21.813 -3.083) 23.063 11.448 ( 0.527 8.300 -1.382) 8.430 12.084 ( 7.585 22.611 -16.077) 28.762 12.361 ( -1.689 -7.541 -3.737) 8.584 13.202 ( -4.352 -0.292 5.653) 7.140 13.332 ( -0.098 -3.574 5.639) 6.676 13.583 ( 0.568 9.617 6.351) 11.538 15.183 ( -11.643 -30.166 2.200) 32.410 15.277 ( -3.168 -9.093 -21.173) 23.260 15.975 ( 20.276 -21.107 -0.455) 29.272 16.666 ( -7.840 -12.339 -1.312) 14.678 16.853 ( -8.645 -0.080 -0.661) 8.670 17.221 ( -17.425 -5.451 0.104) 18.258 18.457 ( 6.087 13.605 -7.196) 16.551 18.897 ( 11.347 9.347 0.941) 14.731 19.058 ( 6.639 20.384 -9.240) 23.344 20.493 ( 2.546 -3.172 -10.970) 11.699 20.917 ( -0.817 7.083 -4.858) 8.628 21.748 ( -9.101 -22.362 31.775) 39.907 ======================= Grid point 22 (16/85) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 3.914 2.097 -4.043) 6.005 1.188 ( 2.709 -4.428 0.391) 5.205 1.360 ( 3.197 2.884 -3.643) 5.640 1.543 ( -3.181 1.170 2.620) 4.283 1.687 ( 2.284 0.141 -2.935) 3.721 1.832 ( 3.694 -1.838 1.269) 4.316 1.962 ( 4.069 -11.396 -5.135) 13.145 2.647 ( 4.208 17.530 2.667) 18.224 2.910 ( -3.899 -3.940 -4.570) 7.184 3.037 ( 5.174 10.424 11.307) 16.225 3.220 ( -2.786 2.426 1.640) 4.042 3.949 ( -1.228 0.724 -3.620) 3.890 4.179 ( -5.510 -10.634 3.793) 12.563 4.615 ( 6.168 17.678 3.329) 19.017 4.755 ( -13.426 -11.746 1.155) 17.876 5.305 ( 5.237 5.074 -1.625) 7.471 5.656 ( -1.995 1.513 -4.065) 4.775 5.841 ( -0.864 -7.563 2.816) 8.117 6.280 ( -1.858 -7.562 -1.021) 7.853 6.336 ( 0.312 2.533 1.130) 2.791 6.576 ( 1.153 4.799 1.243) 5.090 6.717 ( 5.503 3.010 0.327) 6.281 7.050 ( 7.539 -0.743 -3.936) 8.537 7.146 ( 1.982 0.287 -6.856) 7.142 7.403 ( -0.862 1.153 3.327) 3.625 8.541 ( -4.079 7.842 -0.159) 8.841 8.837 ( -7.657 7.256 11.947) 15.938 9.220 ( -6.467 -6.226 -0.596) 8.997 9.418 ( -0.216 -1.607 -0.374) 1.664 9.592 ( -4.941 -1.661 1.200) 5.349 9.666 ( 0.554 7.060 0.316) 7.088 9.719 ( 9.249 -3.977 6.429) 11.946 10.071 ( -1.183 3.958 4.852) 6.372 10.238 ( 2.188 -7.969 -0.604) 8.286 10.792 ( 24.060 5.506 -9.906) 26.596 11.201 ( -0.079 26.225 -2.636) 26.357 11.534 ( 2.716 7.771 0.791) 8.270 12.215 ( -1.077 -7.684 -3.135) 8.368 12.439 ( 12.057 27.726 -6.113) 30.846 13.024 ( -10.577 -20.692 2.197) 23.342 13.308 ( -2.309 -1.351 4.949) 5.626 13.667 ( -4.651 4.581 6.077) 8.919 14.871 ( -2.772 -14.494 -4.475) 15.420 15.067 ( 1.255 -6.025 -10.033) 11.770 16.065 ( 7.692 -10.087 -0.094) 12.686 16.430 ( -6.555 -6.104 -1.574) 9.094 16.653 ( -13.817 -3.983 -0.069) 14.380 16.934 ( -5.695 -13.791 1.317) 14.978 18.659 ( 6.348 14.095 -3.200) 15.786 19.057 ( -1.076 9.139 0.436) 9.213 19.329 ( 15.346 5.850 -4.858) 17.126 20.451 ( 4.537 -2.833 -11.312) 12.513 20.923 ( -1.794 5.169 -4.531) 7.104 21.593 ( -11.401 -12.762 22.513) 28.279 ======================= Grid point 23 (17/85) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 3.839 2.680 -0.255) 4.689 1.190 ( 4.045 -4.571 0.307) 6.111 1.409 ( 1.513 2.378 -1.443) 3.167 1.530 ( -1.582 0.397 3.673) 4.019 1.704 ( 2.071 -0.146 -4.627) 5.072 1.863 ( 1.770 -2.123 0.352) 2.786 1.930 ( 9.462 -10.467 -4.137) 14.704 2.664 ( -12.847 18.859 -2.207) 22.925 2.865 ( -6.626 -0.299 4.812) 8.194 3.223 ( 1.619 2.939 -3.492) 4.843 3.287 ( 8.226 -5.619 7.109) 12.238 3.926 ( -2.951 5.663 -2.689) 6.928 4.107 ( 8.486 -5.748 1.877) 10.419 4.394 ( -12.661 -15.426 1.874) 20.045 4.799 ( -3.578 10.517 1.654) 11.231 5.459 ( 0.905 12.064 -1.301) 12.168 5.609 ( -2.722 3.161 -0.806) 4.249 5.876 ( 10.161 -7.982 1.404) 12.997 6.114 ( -2.364 -13.811 -2.037) 14.159 6.351 ( -2.252 2.877 -0.025) 3.653 6.653 ( 1.282 4.226 1.248) 4.589 6.822 ( -0.732 7.023 0.626) 7.089 7.107 ( 5.717 -0.456 -4.395) 7.226 7.179 ( 3.045 2.754 -4.247) 5.907 7.389 ( -0.259 -5.819 4.110) 7.129 8.550 ( -3.888 5.700 0.748) 6.941 8.875 ( -4.835 6.390 11.639) 14.131 9.097 ( -0.667 -5.168 -0.259) 5.218 9.358 ( -3.403 1.194 -3.181) 4.809 9.478 ( -4.395 -3.660 1.862) 6.015 9.725 ( -1.340 6.008 -0.765) 6.203 9.817 ( -5.459 11.981 -2.054) 13.325 10.043 ( -5.375 -1.799 -0.941) 5.746 10.257 ( 7.187 -10.576 2.455) 13.020 11.155 ( 16.969 1.537 -2.456) 17.215 11.364 ( 2.585 18.591 -3.531) 19.099 11.694 ( 5.372 5.050 1.999) 7.640 12.122 ( 1.137 -7.441 -1.793) 7.738 12.553 ( -4.080 -27.870 -0.459) 28.171 12.918 ( 4.765 24.884 -1.205) 25.365 13.297 ( -2.827 -0.126 5.980) 6.616 13.566 ( -11.792 -2.478 2.219) 12.252 14.707 ( 0.474 -3.976 -11.739) 12.403 15.110 ( 9.268 -2.209 2.978) 9.982 16.077 ( -5.164 15.026 -0.013) 15.889 16.270 ( -13.626 0.507 -0.846) 13.662 16.495 ( 9.184 -14.238 1.233) 16.988 16.798 ( 6.938 -22.285 1.670) 23.400 18.842 ( 0.172 15.342 -1.262) 15.395 19.079 ( -2.745 3.293 0.885) 4.378 19.542 ( 10.889 -1.338 -1.100) 11.026 20.440 ( 5.767 -2.095 -11.130) 12.709 20.898 ( -2.441 2.406 -3.207) 4.694 21.443 ( -11.514 -5.417 13.554) 18.591 ======================= Grid point 24 (18/85) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -1.796 -0.716 -0.350) 1.965 1.270 ( 4.086 -1.236 1.875) 4.662 1.428 ( 0.086 1.463 -0.973) 1.759 1.554 ( -0.905 1.841 5.995) 6.337 1.675 ( -0.445 -1.294 -5.835) 5.993 1.842 ( -2.095 -1.068 -0.154) 2.357 2.056 ( 16.754 -6.336 -1.240) 17.955 2.684 ( -8.356 20.082 0.078) 21.752 2.726 ( -10.857 3.807 -0.033) 11.506 3.150 ( -0.219 -24.842 -0.118) 24.843 3.291 ( -6.372 6.233 -0.079) 8.914 3.945 ( 1.325 6.515 -1.152) 6.747 4.123 ( -6.228 -10.336 2.054) 12.241 4.367 ( 21.967 0.002 0.701) 21.978 4.775 ( -10.209 4.305 1.142) 11.138 5.478 ( -9.865 8.218 -1.059) 12.883 5.621 ( 1.433 4.013 0.811) 4.337 5.864 ( 0.062 -13.805 -0.087) 13.806 6.110 ( 13.695 -3.373 -1.471) 14.180 6.320 ( -3.008 0.735 -0.444) 3.128 6.670 ( -4.481 2.090 0.999) 5.044 6.802 ( -6.737 4.152 -0.632) 7.938 7.176 ( 1.278 -0.464 -0.754) 1.555 7.238 ( 4.771 6.593 -4.061) 9.095 7.359 ( 1.005 -7.854 4.204) 8.965 8.512 ( -4.641 0.739 0.875) 4.780 8.926 ( -4.934 6.439 10.196) 13.030 9.135 ( 3.790 -0.173 4.466) 5.860 9.305 ( 2.211 -0.245 -10.593) 10.824 9.426 ( -0.454 -1.087 0.963) 1.521 9.641 ( -9.311 1.615 -4.102) 10.301 9.857 ( -10.082 4.211 0.704) 10.948 9.898 ( -2.080 7.537 -2.297) 8.149 10.252 ( 4.697 -11.584 0.487) 12.510 11.230 ( -6.731 10.616 -4.089) 13.219 11.525 ( -5.068 -5.893 7.393) 10.727 11.657 ( -10.144 -4.057 -0.185) 10.927 12.096 ( 10.162 -5.402 -2.236) 11.724 12.570 ( 27.205 -7.078 -0.483) 28.115 12.936 ( -23.063 9.310 -0.123) 24.871 13.302 ( -4.239 0.808 4.940) 6.559 13.429 ( 2.132 -1.687 -2.487) 3.684 14.688 ( 5.567 0.119 -5.918) 8.125 15.302 ( 12.342 0.520 3.877) 12.947 16.052 ( -10.844 12.966 -1.406) 16.961 16.304 ( 7.526 16.229 -0.092) 17.889 16.566 ( 11.110 -14.627 3.959) 18.790 16.764 ( 14.522 -21.006 -0.060) 25.537 18.875 ( -9.425 7.939 0.160) 12.325 19.086 ( -0.994 3.419 1.019) 3.703 19.642 ( 5.090 -4.000 1.798) 6.719 20.452 ( 5.849 -1.068 -9.360) 11.089 20.855 ( -2.464 0.428 -1.612) 2.975 21.296 ( -10.996 -1.201 5.781) 12.481 ======================= Grid point 25 (19/85) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -3.959 0.000 0.000) 3.959 1.266 ( -4.612 0.000 0.000) 4.612 1.439 ( 0.698 -0.000 -0.000) 0.698 1.586 ( -1.298 0.000 0.000) 1.298 1.615 ( -1.136 0.000 0.000) 1.136 1.787 ( -3.951 0.000 0.000) 3.951 2.239 ( 6.842 -0.000 -0.000) 6.842 2.559 ( -10.218 0.000 0.000) 10.218 2.690 ( -12.440 0.000 0.000) 12.440 3.007 ( 8.934 -0.000 -0.000) 8.934 3.190 ( -9.303 0.000 0.000) 9.303 4.035 ( 1.177 -0.000 -0.000) 1.177 4.102 ( 12.767 -0.000 -0.000) 12.767 4.499 ( -27.496 0.000 0.000) 27.496 4.732 ( 22.181 -0.000 -0.000) 22.181 5.351 ( -6.987 0.000 0.000) 6.987 5.757 ( -0.538 0.000 0.000) 0.538 5.763 ( 8.083 -0.000 -0.000) 8.083 6.274 ( -2.863 0.000 0.000) 2.863 6.309 ( 11.657 -0.000 -0.000) 11.657 6.569 ( -8.869 0.000 0.000) 8.869 6.714 ( -6.199 0.000 0.000) 6.199 7.157 ( -1.709 0.000 0.000) 1.709 7.310 ( -0.961 0.000 0.000) 0.961 7.335 ( 0.317 -0.000 -0.000) 0.317 8.461 ( -2.028 0.000 0.000) 2.028 8.972 ( -4.087 0.000 0.000) 4.087 9.008 ( -13.508 0.000 0.000) 13.508 9.383 ( 7.483 -0.000 -0.000) 7.483 9.451 ( 3.045 -0.000 -0.000) 3.045 9.568 ( 4.314 -0.000 -0.000) 4.314 9.674 ( -10.141 0.000 0.000) 10.141 9.972 ( 1.410 -0.000 -0.000) 1.410 10.258 ( 4.741 -0.000 -0.000) 4.741 11.103 ( -32.941 0.000 0.000) 32.941 11.149 ( -9.863 0.000 0.000) 9.863 11.551 ( -5.809 0.000 0.000) 5.809 12.266 ( 11.503 -0.000 -0.000) 11.503 12.588 ( -19.888 0.000 0.000) 19.888 12.979 ( 19.484 -0.000 -0.000) 19.484 13.229 ( -5.192 0.000 0.000) 5.192 13.478 ( 3.260 -0.000 -0.000) 3.260 14.806 ( 14.093 -0.000 -0.000) 14.093 15.533 ( 13.646 -0.000 -0.000) 13.646 16.080 ( 4.217 -0.000 -0.000) 4.217 16.568 ( 10.244 -0.000 -0.000) 10.244 16.641 ( 10.656 -0.000 -0.000) 10.656 16.910 ( 15.745 -0.000 -0.000) 15.745 18.741 ( -10.732 0.000 0.000) 10.732 19.055 ( -7.117 0.000 0.000) 7.117 19.676 ( 0.835 -0.000 -0.000) 0.835 20.496 ( 4.929 -0.000 -0.000) 4.929 20.815 ( -1.888 0.000 0.000) 1.888 21.142 ( -9.953 0.000 0.000) 9.953 ======================= Grid point 30 (20/85) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.000 2.854 0.737) 2.948 1.104 ( -0.000 -8.718 -1.912) 8.925 1.281 ( 0.000 7.573 -7.191) 10.443 1.620 ( -0.000 0.139 1.626) 1.631 1.669 ( 0.000 -1.510 -2.213) 2.679 1.749 ( -0.000 0.744 3.458) 3.537 1.942 ( -0.000 -10.299 -3.852) 10.996 2.112 ( 0.000 8.321 -3.115) 8.885 2.957 ( -0.000 9.973 12.146) 15.716 3.212 ( 0.000 3.309 -5.668) 6.563 3.487 ( -0.000 3.316 5.009) 6.007 3.837 ( 0.000 11.776 -1.218) 11.839 4.376 ( -0.000 -11.672 3.277) 12.123 4.380 ( 0.000 21.915 4.510) 22.375 5.064 ( -0.000 -14.665 -0.329) 14.668 5.145 ( -0.000 -2.888 0.287) 2.903 5.658 ( -0.000 -4.395 -1.694) 4.710 6.147 ( -0.000 -3.330 -1.344) 3.591 6.236 ( 0.000 5.341 1.898) 5.668 6.252 ( 0.000 -1.952 -3.986) 4.439 6.479 ( -0.000 5.141 5.658) 7.644 6.636 ( -0.000 0.127 1.417) 1.423 6.877 ( 0.000 -1.979 -7.524) 7.780 7.109 ( 0.000 -5.197 -6.799) 8.558 7.441 ( 0.000 7.364 2.664) 7.831 8.624 ( 0.000 9.370 -2.325) 9.655 9.020 ( -0.000 4.375 11.948) 12.724 9.228 ( 0.000 3.716 0.809) 3.803 9.367 ( -0.000 -6.469 11.226) 12.957 9.564 ( -0.000 -4.701 3.832) 6.064 9.642 ( -0.000 -0.386 2.923) 2.948 9.719 ( -0.000 -9.248 -2.060) 9.474 9.762 ( -0.000 -6.627 0.776) 6.672 10.439 ( 0.000 6.112 -5.716) 8.368 10.510 ( 0.000 5.684 -0.246) 5.690 11.173 ( 0.000 42.599 -1.365) 42.621 11.523 ( 0.000 9.827 -0.769) 9.857 12.106 ( 0.000 18.560 -14.298) 23.428 12.284 ( 0.000 -4.585 -4.127) 6.169 13.278 ( -0.000 -0.885 5.010) 5.088 13.329 ( -0.000 -7.193 4.447) 8.456 13.720 ( 0.000 10.176 7.107) 12.412 15.009 ( -0.000 -35.259 3.650) 35.448 15.082 ( 0.000 -8.683 -20.979) 22.705 15.608 ( -0.000 -12.691 1.076) 12.737 16.503 ( -0.000 -21.709 -0.128) 21.710 16.992 ( 0.000 4.711 -1.006) 4.818 17.375 ( -0.000 -2.689 -0.077) 2.690 18.436 ( 0.000 8.682 -7.105) 11.219 18.852 ( 0.000 8.912 0.741) 8.943 19.184 ( 0.000 17.910 -4.806) 18.544 20.379 ( 0.000 -2.985 -9.706) 10.154 20.956 ( 0.000 6.574 -5.103) 8.322 21.801 ( -0.000 -19.046 24.434) 30.980 ======================= Grid point 31 (21/85) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -0.556 -6.627 -6.877) 9.567 1.136 ( 2.516 -0.610 0.500) 2.637 1.327 ( 1.834 5.493 -3.804) 6.929 1.584 ( -2.137 -4.760 -2.114) 5.630 1.634 ( 0.442 -0.567 -0.219) 0.752 1.777 ( 1.043 -0.608 0.030) 1.208 1.869 ( 0.346 -3.119 0.709) 3.217 2.353 ( 23.740 -0.807 -2.059) 23.843 3.058 ( -7.014 8.741 4.131) 11.945 3.234 ( -0.349 12.320 -3.044) 12.696 3.403 ( -12.645 -1.141 9.988) 16.154 3.903 ( 2.159 -2.799 -2.067) 4.095 4.260 ( -7.716 -0.547 1.893) 7.964 4.685 ( 1.198 9.633 3.208) 10.223 4.846 ( -3.831 -3.108 0.620) 4.971 5.214 ( 7.861 -0.463 -0.203) 7.877 5.602 ( -0.263 -2.068 -2.380) 3.164 5.986 ( -12.016 0.999 0.558) 12.070 6.188 ( 0.930 -6.251 -1.710) 6.547 6.398 ( 2.113 4.359 2.225) 5.331 6.591 ( 0.305 -0.115 1.076) 1.124 6.616 ( 6.716 1.761 0.798) 6.989 6.881 ( 6.470 -3.160 -5.136) 8.845 7.051 ( 3.410 -1.997 -5.201) 6.532 7.489 ( -3.014 4.206 2.012) 5.552 8.673 ( -2.876 9.025 -1.518) 9.593 9.112 ( -8.971 3.718 11.390) 14.968 9.262 ( -6.016 -7.771 1.712) 9.976 9.328 ( 13.541 2.154 1.116) 13.757 9.517 ( 0.737 -3.592 1.257) 3.877 9.615 ( 0.958 -10.127 3.539) 10.770 9.754 ( -1.517 6.766 -1.739) 7.149 9.858 ( 17.092 -6.275 4.151) 18.675 10.331 ( -9.094 0.204 -3.461) 9.732 10.630 ( 5.585 8.217 -2.285) 10.195 11.504 ( -5.056 36.428 -2.544) 36.865 11.604 ( -0.570 9.435 -0.422) 9.461 12.127 ( 0.351 -8.023 -3.277) 8.674 12.423 ( 13.753 24.429 -6.409) 28.758 13.049 ( -16.441 -21.742 1.507) 27.300 13.355 ( 1.804 -1.172 4.483) 4.973 13.824 ( -3.031 6.663 5.911) 9.409 14.739 ( -0.909 -20.668 2.417) 20.829 14.900 ( 2.364 -5.807 -14.426) 15.730 15.677 ( 16.596 -8.860 0.563) 18.822 16.331 ( 2.409 -18.580 -0.376) 18.739 16.898 ( -14.446 3.033 -0.368) 14.766 17.163 ( -20.557 -1.675 0.110) 20.625 18.579 ( 11.686 6.823 -3.386) 13.950 19.022 ( 10.178 3.996 0.536) 10.947 19.287 ( -0.689 11.557 -3.234) 12.020 20.315 ( 2.018 -2.301 -7.797) 8.377 20.967 ( -1.396 4.478 -4.038) 6.189 21.740 ( -5.692 -11.609 16.314) 20.816 ======================= Grid point 32 (22/85) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 12.261 -3.644 -3.002) 13.138 1.160 ( 0.498 0.204 0.137) 0.556 1.393 ( 3.128 4.200 -1.103) 5.352 1.505 ( 1.054 -6.198 -1.894) 6.567 1.645 ( 0.433 0.580 0.278) 0.775 1.770 ( 0.509 -1.173 -1.971) 2.349 1.867 ( 0.258 -1.214 1.148) 1.691 2.705 ( 21.396 -4.085 -1.289) 21.820 3.009 ( -10.867 13.286 -0.775) 17.182 3.213 ( -8.721 -6.198 2.483) 10.983 3.367 ( -1.702 8.901 5.209) 10.453 3.882 ( 3.697 -4.128 -1.503) 5.742 4.146 ( -9.508 4.411 -0.057) 10.482 4.472 ( -11.342 -11.743 1.351) 16.382 4.938 ( -3.090 5.860 1.072) 6.711 5.411 ( 13.292 4.868 -0.112) 14.156 5.620 ( 4.339 0.510 -2.114) 4.853 5.849 ( -8.664 4.864 1.956) 10.127 6.049 ( -5.949 -11.798 -1.511) 13.300 6.424 ( -2.849 2.786 0.640) 4.035 6.631 ( 4.945 0.712 0.586) 5.030 6.810 ( 9.000 5.276 0.828) 10.465 6.931 ( 9.051 -5.564 -2.948) 11.026 7.107 ( 5.270 1.133 -2.608) 5.988 7.441 ( -6.343 -0.049 1.367) 6.489 8.678 ( -4.725 6.071 -0.648) 7.721 9.036 ( -6.414 -0.123 6.659) 9.246 9.104 ( -5.504 -4.860 -0.066) 7.343 9.446 ( -3.448 2.154 1.545) 4.349 9.532 ( -1.834 0.448 1.671) 2.521 9.687 ( 6.883 -3.844 -1.051) 7.954 9.842 ( 9.269 8.266 0.310) 12.423 10.046 ( 11.330 -8.251 1.443) 14.090 10.161 ( -8.483 -0.875 -2.430) 8.867 10.829 ( 14.942 5.327 -1.143) 15.905 11.622 ( -6.092 19.707 -5.776) 21.421 11.737 ( 0.568 14.453 3.074) 14.787 12.032 ( 0.398 -6.519 -1.471) 6.695 12.467 ( -20.734 -29.930 0.089) 36.411 12.911 ( 18.434 17.947 -1.014) 25.748 13.380 ( -2.014 -0.092 3.831) 4.329 13.781 ( -11.389 1.260 2.675) 11.767 14.598 ( 0.266 -6.319 -5.309) 8.257 14.924 ( 10.736 -3.150 -1.315) 11.265 15.931 ( 20.565 -1.665 0.398) 20.636 16.254 ( 5.141 -9.346 -0.760) 10.694 16.649 ( -17.657 2.312 -0.522) 17.815 16.780 ( -22.401 -5.312 1.465) 23.069 18.831 ( 12.538 6.480 -1.112) 14.158 19.148 ( 0.019 0.717 0.731) 1.024 19.376 ( 6.836 3.093 -1.620) 7.676 20.301 ( 3.445 -1.247 -4.946) 6.155 20.944 ( -2.641 1.781 -1.979) 3.751 21.627 ( -8.717 -4.396 7.713) 12.442 ======================= Grid point 33 (23/85) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 6.437 -0.000 -0.000) 6.437 1.165 ( 4.008 -0.000 -0.000) 4.008 1.436 ( -0.601 0.000 0.000) 0.601 1.548 ( 7.563 -0.000 -0.000) 7.563 1.645 ( -0.779 0.000 0.000) 0.779 1.798 ( 7.554 -0.000 -0.000) 7.554 1.861 ( -0.802 0.000 0.000) 0.802 2.867 ( -1.356 0.000 0.000) 1.356 2.950 ( -6.142 0.000 0.000) 6.142 3.035 ( -6.150 0.000 0.000) 6.150 3.388 ( -2.845 0.000 0.000) 2.845 3.987 ( 4.665 -0.000 -0.000) 4.665 4.073 ( 5.974 -0.000 -0.000) 5.974 4.227 ( -11.969 0.000 0.000) 11.969 4.900 ( -4.259 0.000 0.000) 4.259 5.613 ( 5.487 -0.000 -0.000) 5.487 5.646 ( -2.491 0.000 0.000) 2.491 5.834 ( -6.489 0.000 0.000) 6.489 5.884 ( 7.524 -0.000 -0.000) 7.524 6.380 ( -3.926 0.000 0.000) 3.926 6.704 ( 2.106 -0.000 -0.000) 2.106 6.909 ( -2.473 0.000 0.000) 2.473 7.072 ( 11.971 -0.000 -0.000) 11.971 7.175 ( 3.810 -0.000 -0.000) 3.810 7.349 ( -3.765 0.000 0.000) 3.765 8.612 ( -6.382 0.000 0.000) 6.382 9.002 ( -1.964 0.000 0.000) 1.964 9.064 ( 4.539 -0.000 -0.000) 4.539 9.377 ( -7.509 0.000 0.000) 7.509 9.473 ( -5.737 0.000 0.000) 5.737 9.699 ( -0.488 0.000 0.000) 0.488 9.962 ( -4.183 0.000 0.000) 4.183 10.054 ( -4.629 0.000 0.000) 4.629 10.110 ( 4.879 -0.000 -0.000) 4.879 11.164 ( 18.613 -0.000 -0.000) 18.613 11.649 ( -3.361 0.000 0.000) 3.361 11.853 ( 6.452 -0.000 -0.000) 6.452 11.902 ( -21.334 0.000 0.000) 21.334 12.150 ( 15.628 -0.000 -0.000) 15.628 13.260 ( 13.021 -0.000 -0.000) 13.021 13.302 ( -10.779 0.000 0.000) 10.779 13.531 ( -18.463 0.000 0.000) 18.463 14.591 ( 4.082 -0.000 -0.000) 4.082 15.106 ( 13.091 -0.000 -0.000) 13.091 16.280 ( 20.753 -0.000 -0.000) 20.753 16.307 ( 0.798 -0.000 -0.000) 0.798 16.388 ( -13.718 0.000 0.000) 13.718 16.473 ( -5.203 0.000 0.000) 5.203 19.038 ( 8.125 -0.000 -0.000) 8.125 19.068 ( -8.498 0.000 0.000) 8.498 19.515 ( 8.681 -0.000 -0.000) 8.681 20.341 ( 4.395 -0.000 -0.000) 4.395 20.898 ( -3.060 0.000 0.000) 3.060 21.480 ( -10.414 0.000 0.000) 10.414 ======================= Grid point 40 (24/85) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -0.000 -6.869 -4.917) 8.448 1.107 ( 0.000 0.621 0.018) 0.621 1.353 ( 0.000 5.916 -2.139) 6.291 1.527 ( -0.000 -6.732 -2.115) 7.057 1.635 ( -0.000 0.016 0.569) 0.570 1.777 ( -0.000 0.071 0.666) 0.670 1.858 ( -0.000 -0.623 0.712) 0.946 2.112 ( 0.000 -1.249 -1.920) 2.290 3.223 ( -0.000 4.608 5.704) 7.333 3.297 ( 0.000 11.314 -6.732) 13.166 3.529 ( -0.000 -7.807 8.182) 11.309 3.857 ( 0.000 -0.866 -1.228) 1.503 4.382 ( 0.000 7.513 1.150) 7.600 4.771 ( -0.000 -14.210 -1.176) 14.259 4.832 ( 0.000 13.545 2.107) 13.708 5.119 ( -0.000 -0.816 0.536) 0.976 5.601 ( 0.000 0.213 -0.694) 0.726 6.058 ( -0.000 -3.251 -0.580) 3.302 6.206 ( 0.000 -0.014 -1.178) 1.178 6.370 ( 0.000 7.191 1.057) 7.269 6.562 ( -0.000 -8.634 -0.407) 8.643 6.610 ( -0.000 1.895 3.959) 4.389 6.780 ( 0.000 0.114 -5.008) 5.010 6.968 ( 0.000 -1.680 -2.842) 3.302 7.561 ( 0.000 2.718 1.080) 2.924 8.762 ( 0.000 6.322 -0.917) 6.389 9.158 ( -0.000 0.725 3.570) 3.643 9.271 ( -0.000 -6.162 0.672) 6.199 9.337 ( 0.000 3.117 2.436) 3.956 9.526 ( -0.000 -1.422 -0.307) 1.455 9.574 ( -0.000 -3.650 -0.943) 3.770 9.587 ( -0.000 -7.029 5.503) 8.927 9.828 ( 0.000 3.913 0.727) 3.980 10.407 ( 0.000 0.030 -3.478) 3.478 10.616 ( 0.000 3.480 1.150) 3.665 11.690 ( 0.000 7.788 -0.513) 7.804 11.895 ( 0.000 29.227 -0.198) 29.227 12.030 ( -0.000 -6.619 -2.052) 6.930 12.440 ( 0.000 16.985 -4.519) 17.576 13.128 ( -0.000 -14.599 1.264) 14.653 13.224 ( -0.000 -8.030 0.909) 8.082 13.935 ( -0.000 4.354 3.529) 5.604 14.591 ( -0.000 -15.627 7.914) 17.517 14.740 ( 0.000 -2.739 -13.681) 13.953 15.511 ( -0.000 -0.197 0.554) 0.588 16.151 ( -0.000 -13.115 -0.138) 13.115 17.047 ( 0.000 1.838 -0.221) 1.851 17.344 ( -0.000 -0.718 -0.055) 0.721 18.479 ( 0.000 2.556 -2.175) 3.356 18.971 ( 0.000 3.125 0.304) 3.139 19.368 ( 0.000 6.150 -1.391) 6.305 20.245 ( 0.000 -1.271 -4.064) 4.259 20.991 ( 0.000 2.521 -2.395) 3.478 21.779 ( -0.000 -6.404 8.500) 10.642 ======================= Grid point 41 (25/85) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 1.354 -0.000 -0.000) 1.354 1.138 ( 2.335 -0.000 -0.000) 2.335 1.380 ( 0.683 -0.000 -0.000) 0.683 1.471 ( -1.201 0.000 0.000) 1.201 1.644 ( 0.688 -0.000 -0.000) 0.688 1.770 ( -0.904 0.000 0.000) 0.904 1.861 ( 0.323 -0.000 -0.000) 0.323 2.305 ( 22.344 -0.000 -0.000) 22.344 3.217 ( -5.965 0.000 0.000) 5.965 3.293 ( -5.047 0.000 0.000) 5.047 3.481 ( -3.405 0.000 0.000) 3.405 3.835 ( -0.972 0.000 0.000) 0.972 4.348 ( -9.923 0.000 0.000) 9.923 4.575 ( -9.649 0.000 0.000) 9.649 4.976 ( 3.900 -0.000 -0.000) 3.900 5.216 ( 11.241 -0.000 -0.000) 11.241 5.585 ( -0.523 0.000 0.000) 0.523 6.017 ( -4.303 0.000 0.000) 4.303 6.099 ( -8.849 0.000 0.000) 8.849 6.474 ( -1.630 0.000 0.000) 1.630 6.529 ( 7.715 -0.000 -0.000) 7.715 6.709 ( 9.135 -0.000 -0.000) 9.135 6.761 ( 1.877 -0.000 -0.000) 1.877 7.011 ( 5.824 -0.000 -0.000) 5.824 7.542 ( -4.358 0.000 0.000) 4.358 8.769 ( -2.690 0.000 0.000) 2.690 9.176 ( -6.396 0.000 0.000) 6.396 9.214 ( -12.819 0.000 0.000) 12.819 9.355 ( 19.422 -0.000 -0.000) 19.422 9.504 ( -1.526 0.000 0.000) 1.526 9.554 ( 5.798 -0.000 -0.000) 5.798 9.796 ( 14.982 -0.000 -0.000) 14.982 9.823 ( -2.115 0.000 0.000) 2.115 10.295 ( -9.520 0.000 0.000) 9.520 10.709 ( 6.589 -0.000 -0.000) 6.589 11.719 ( -1.243 0.000 0.000) 1.243 11.931 ( -6.093 0.000 0.000) 6.093 12.000 ( -2.146 0.000 0.000) 2.146 12.690 ( 18.041 -0.000 -0.000) 18.041 12.720 ( -27.042 0.000 0.000) 27.042 13.350 ( 7.632 -0.000 -0.000) 7.632 13.931 ( -4.870 0.000 0.000) 4.870 14.546 ( -0.265 0.000 0.000) 0.265 14.743 ( 7.700 -0.000 -0.000) 7.700 15.635 ( 14.229 -0.000 -0.000) 14.229 16.117 ( 3.781 -0.000 -0.000) 3.781 16.926 ( -14.696 0.000 0.000) 14.696 17.150 ( -21.085 0.000 0.000) 21.085 18.620 ( 14.315 -0.000 -0.000) 14.315 19.062 ( 8.080 -0.000 -0.000) 8.080 19.375 ( -1.781 0.000 0.000) 1.781 20.240 ( 1.718 -0.000 -0.000) 1.718 20.982 ( -1.658 0.000 0.000) 1.658 21.738 ( -4.732 0.000 0.000) 4.732 ======================= Grid point 93 (26/85) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -0.000 0.000 20.599) 20.599 0.425 ( -0.000 0.000 20.599) 20.599 0.835 ( -0.000 0.000 40.623) 40.623 1.535 ( 0.000 -0.000 -2.481) 2.481 1.535 ( 0.000 -0.000 -2.481) 2.481 1.588 ( 0.000 -0.000 -0.676) 0.676 1.588 ( 0.000 -0.000 -0.676) 0.676 1.683 ( 0.000 -0.000 -0.802) 0.802 2.786 ( -0.000 0.000 6.376) 6.376 2.880 ( 0.000 -0.000 -2.457) 2.457 2.880 ( 0.000 -0.000 -2.457) 2.457 3.760 ( 0.000 -0.000 -8.249) 8.249 4.473 ( 0.000 -0.000 -2.467) 2.467 5.339 ( -0.000 0.000 0.172) 0.172 5.339 ( -0.000 0.000 0.172) 0.172 5.546 ( -0.000 0.000 1.665) 1.665 5.546 ( -0.000 0.000 1.665) 1.665 5.818 ( -0.000 0.000 6.194) 6.194 6.257 ( 0.000 -0.000 -0.835) 0.835 6.257 ( 0.000 -0.000 -0.835) 0.835 6.604 ( 0.000 -0.000 -2.860) 2.860 6.604 ( 0.000 -0.000 -2.860) 2.860 6.855 ( -0.000 0.000 3.767) 3.767 7.192 ( 0.000 -0.000 -2.291) 2.291 7.192 ( 0.000 -0.000 -2.291) 2.291 8.453 ( -0.000 0.000 7.494) 7.494 8.453 ( -0.000 0.000 7.494) 7.494 9.080 ( 0.000 -0.000 -0.622) 0.622 9.220 ( -0.000 0.000 0.233) 0.233 9.220 ( -0.000 0.000 0.233) 0.233 9.650 ( -0.000 0.000 0.891) 0.891 10.117 ( 0.000 -0.000 -2.312) 2.312 10.237 ( -0.000 0.000 2.724) 2.724 10.350 ( 0.000 0.000 0.131) 0.131 10.350 ( 0.000 0.000 0.131) 0.131 10.470 ( 0.000 -0.000 -5.617) 5.617 10.470 ( 0.000 -0.000 -5.617) 5.617 11.263 ( 0.000 -0.000 -0.742) 0.742 12.627 ( 0.000 -0.000 -3.081) 3.081 13.152 ( -0.000 0.000 8.502) 8.502 13.152 ( -0.000 0.000 8.502) 8.502 13.162 ( -0.000 0.000 0.017) 0.017 16.088 ( 0.000 -0.000 -5.441) 5.441 16.331 ( 0.000 -0.000 -0.044) 0.044 16.331 ( 0.000 0.000 -0.044) 0.044 16.787 ( -0.000 0.000 1.265) 1.265 17.155 ( 0.000 -0.000 -0.076) 0.076 17.155 ( 0.000 -0.000 -0.076) 0.076 17.766 ( 0.000 -0.000 -0.014) 0.014 18.203 ( -0.000 0.000 0.679) 0.679 18.203 ( -0.000 0.000 0.679) 0.679 20.723 ( 0.000 -0.000 -6.027) 6.027 20.723 ( 0.000 -0.000 -6.027) 6.027 23.131 ( -0.000 0.000 2.167) 2.167 ======================= Grid point 94 (27/85) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 10.397 6.003 7.792) 14.312 0.858 ( 16.394 9.465 11.222) 22.007 1.200 ( 9.469 5.467 21.787) 24.377 1.532 ( -2.430 -1.403 -1.520) 3.192 1.595 ( 4.763 2.750 1.042) 5.597 1.651 ( 1.906 1.101 0.224) 2.212 1.705 ( 13.138 7.585 2.464) 15.369 1.939 ( 24.718 14.271 -6.989) 29.385 2.730 ( -4.935 -2.849 13.940) 15.060 2.747 ( -3.660 -2.113 -7.090) 8.254 3.017 ( 8.772 5.064 1.422) 10.228 3.639 ( -5.357 -3.093 -9.473) 11.314 4.368 ( -7.179 -4.145 -2.530) 8.667 5.118 ( -16.264 -9.390 2.785) 18.986 5.323 ( -2.251 -1.300 -0.502) 2.648 5.472 ( -8.171 -4.717 1.630) 9.575 5.613 ( 4.856 2.804 0.846) 5.671 5.976 ( 5.837 3.370 2.494) 7.187 6.224 ( -3.138 -1.812 -0.358) 3.641 6.289 ( 3.765 2.174 0.884) 4.436 6.417 ( -6.071 -3.505 -3.588) 7.875 6.638 ( 2.457 1.419 -0.402) 2.865 7.015 ( 8.938 5.160 3.076) 10.769 7.142 ( -3.357 -1.938 -3.501) 5.223 7.215 ( 2.432 1.404 -4.039) 4.919 8.465 ( -0.793 -0.458 7.478) 7.534 8.526 ( -3.554 -2.052 9.571) 10.413 9.049 ( 0.799 0.461 15.264) 15.292 9.181 ( 0.923 0.533 -0.033) 1.066 9.407 ( 24.847 14.345 -0.021) 28.690 9.653 ( -5.246 -3.029 -3.055) 6.785 9.920 ( -6.195 -3.577 2.601) 7.611 10.128 ( -6.078 -3.509 3.842) 8.001 10.177 ( -9.746 -5.627 -1.830) 11.401 10.423 ( 4.944 2.855 0.250) 5.715 10.607 ( 8.852 5.111 -4.170) 11.039 11.192 ( 22.714 13.114 -26.109) 37.008 11.348 ( 18.981 10.959 -13.281) 25.627 12.571 ( -2.947 -1.702 -3.976) 5.233 13.148 ( -2.169 -1.253 6.875) 7.317 13.245 ( 5.882 3.396 1.925) 7.059 13.279 ( 3.711 2.143 11.524) 12.295 15.761 ( -13.103 -7.565 -13.727) 20.429 16.196 ( -11.848 -6.841 -0.251) 13.684 16.467 ( -12.408 -7.164 2.374) 14.523 16.648 ( 0.659 0.381 -5.337) 5.391 17.086 ( -6.485 -3.744 -0.196) 7.491 17.626 ( -9.438 -5.449 0.063) 10.899 17.647 ( 31.179 18.001 -16.933) 39.786 18.369 ( 11.767 6.793 0.617) 13.601 18.473 ( 24.027 13.872 -2.621) 27.868 20.653 ( 0.062 0.036 -9.463) 9.463 20.732 ( 2.364 1.365 -5.888) 6.490 22.595 ( -39.214 -22.640 32.011) 55.453 ======================= Grid point 95 (28/85) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 6.658 3.844 -1.878) 7.914 1.162 ( 8.894 5.135 3.461) 10.837 1.385 ( 2.237 1.292 6.644) 7.128 1.462 ( -3.219 -1.858 -1.605) 4.048 1.652 ( 1.790 1.033 -1.184) 2.382 1.786 ( 5.631 3.251 6.123) 8.931 2.048 ( 13.186 7.613 5.883) 16.323 2.338 ( 10.790 6.229 -0.164) 12.460 2.650 ( -0.760 -0.439 -8.097) 8.144 2.801 ( 2.016 1.164 10.064) 10.330 3.368 ( 24.071 13.897 2.763) 27.932 3.487 ( -0.822 -0.475 -7.759) 7.817 4.188 ( -7.456 -4.305 -1.189) 8.691 4.774 ( -18.037 -10.414 5.045) 21.430 5.230 ( -13.900 -8.025 -0.525) 16.058 5.254 ( -2.984 -1.723 -0.955) 3.575 5.675 ( -0.406 -0.234 -2.031) 2.084 6.079 ( 4.336 2.503 -0.545) 5.036 6.137 ( -2.265 -1.308 1.776) 3.161 6.375 ( 2.354 1.359 1.253) 2.993 6.400 ( 4.239 2.447 -2.203) 5.368 6.711 ( 1.215 0.702 3.373) 3.653 7.038 ( -1.165 -0.673 -5.979) 6.129 7.188 ( 3.512 2.028 -2.352) 4.688 7.264 ( 6.359 3.671 1.109) 7.426 8.464 ( -5.675 -3.276 7.799) 10.186 8.508 ( 0.163 0.094 7.565) 7.568 9.183 ( 0.161 0.093 0.142) 0.234 9.335 ( 12.059 6.962 12.701) 18.847 9.460 ( -9.039 -5.219 -4.268) 11.277 9.859 ( -1.650 -0.952 3.737) 4.195 9.932 ( -7.417 -4.282 -1.718) 8.735 9.981 ( -9.741 -5.624 4.826) 12.240 10.128 ( 34.238 19.768 0.839) 39.544 10.525 ( 4.191 2.419 0.454) 4.860 10.772 ( 10.405 6.007 -4.581) 12.858 11.306 ( 6.049 3.492 -8.196) 10.769 11.698 ( 20.174 11.648 -20.840) 31.256 12.460 ( -4.805 -2.774 -4.417) 7.091 13.145 ( -2.638 -1.523 7.773) 8.348 13.401 ( 6.791 3.921 0.695) 7.872 13.433 ( 3.167 1.829 11.181) 11.764 15.390 ( -11.449 -6.610 -20.613) 24.488 15.870 ( -17.138 -9.894 -0.124) 19.789 16.004 ( -26.109 -15.074 4.971) 30.556 16.738 ( 6.498 3.752 -3.816) 8.418 16.863 ( -14.412 -8.321 -0.193) 16.643 17.457 ( -5.791 -3.343 0.039) 6.687 18.062 ( 17.921 10.347 -10.736) 23.313 18.624 ( 11.050 6.380 0.585) 12.773 19.002 ( 25.581 14.769 -6.779) 30.306 20.605 ( 1.916 1.106 -12.391) 12.587 20.747 ( 2.500 1.444 -5.908) 6.576 22.084 ( -29.468 -17.013 33.703) 47.892 ======================= Grid point 96 (29/85) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 5.942 3.431 -3.130) 7.541 1.310 ( 5.027 2.902 -1.395) 5.969 1.381 ( -3.755 -2.168 0.258) 4.344 1.448 ( 0.814 0.470 4.167) 4.271 1.686 ( 1.995 1.152 -1.313) 2.651 1.895 ( 1.973 1.139 2.395) 3.306 2.209 ( -1.420 -0.820 3.481) 3.848 2.462 ( 3.561 2.056 -1.339) 4.324 2.639 ( 5.610 3.239 -7.242) 9.716 2.852 ( -3.253 -1.878 8.949) 9.706 3.599 ( 13.180 7.610 -1.638) 15.307 3.815 ( 8.514 4.916 -2.192) 10.072 4.159 ( 8.943 5.163 4.048) 11.091 4.438 ( -15.601 -9.007 5.028) 18.702 4.913 ( -15.142 -8.742 -1.504) 17.549 5.218 ( 0.469 0.271 -0.685) 0.873 5.599 ( -3.078 -1.777 -2.781) 4.513 6.154 ( 3.244 1.873 -2.013) 4.252 6.170 ( 2.569 1.483 2.474) 3.863 6.399 ( -0.778 -0.449 1.030) 1.366 6.502 ( 5.094 2.941 -0.319) 5.891 6.659 ( -5.187 -2.994 1.004) 6.073 7.080 ( 6.107 3.526 -4.155) 8.185 7.185 ( 0.628 0.362 -5.661) 5.707 7.427 ( 5.041 2.910 3.832) 6.969 8.425 ( -2.167 -1.251 7.911) 8.297 8.559 ( -0.126 -0.073 7.461) 7.463 9.209 ( 2.456 1.418 0.248) 2.847 9.263 ( -5.967 -3.445 -3.927) 7.931 9.522 ( -0.567 -0.327 1.115) 1.293 9.715 ( -10.012 -5.781 -0.722) 11.584 9.775 ( -9.331 -5.387 3.818) 11.431 9.979 ( 6.305 3.640 8.021) 10.832 10.602 ( 2.475 1.429 1.195) 3.097 10.698 ( 11.700 6.755 -2.440) 13.728 11.200 ( 35.988 20.777 -1.531) 41.583 11.393 ( 6.534 3.773 -4.916) 9.006 11.971 ( 15.411 8.898 -10.249) 20.536 12.325 ( -4.756 -2.746 -4.513) 7.108 13.124 ( -4.700 -2.714 7.867) 9.558 13.476 ( -1.296 -0.748 0.092) 1.499 13.517 ( -1.427 -0.824 6.784) 6.982 15.028 ( -8.966 -5.177 -22.891) 25.123 15.555 ( -10.434 -6.024 0.336) 12.053 15.555 ( -18.131 -10.468 8.758) 22.693 16.502 ( -18.333 -10.584 -0.176) 21.169 16.851 ( 5.499 3.175 -1.113) 6.446 17.377 ( -2.227 -1.286 -0.011) 2.572 18.311 ( 10.653 6.151 -4.933) 13.254 18.825 ( 7.293 4.211 0.566) 8.440 19.422 ( 17.273 9.972 -4.591) 20.466 20.575 ( 3.421 1.975 -14.790) 15.309 20.760 ( 2.340 1.351 -6.089) 6.662 21.738 ( -22.130 -12.777 27.351) 37.431 ======================= Grid point 97 (30/85) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 4.193 2.421 -1.410) 5.043 1.329 ( -1.733 -1.000 4.159) 4.615 1.371 ( 1.869 1.079 -2.398) 3.226 1.481 ( 0.126 0.073 3.518) 3.521 1.707 ( 0.938 0.541 -2.626) 2.840 1.904 ( -1.300 -0.751 -1.105) 1.865 2.148 ( -3.116 -1.799 2.580) 4.428 2.496 ( 2.789 1.610 -10.597) 11.076 2.782 ( 10.022 5.786 -4.347) 12.362 2.785 ( -7.913 -4.568 9.590) 13.246 3.808 ( -0.527 -0.304 2.106) 2.192 3.842 ( 0.469 0.271 0.291) 0.615 4.312 ( 6.200 3.579 2.389) 7.547 4.397 ( 5.225 3.016 4.462) 7.503 4.579 ( -14.906 -8.606 -0.192) 17.213 5.239 ( 0.737 0.425 -0.905) 1.243 5.566 ( 1.044 0.603 -1.442) 1.879 6.189 ( 1.995 1.152 -3.537) 4.220 6.232 ( 1.005 0.580 2.456) 2.716 6.364 ( -2.723 -1.572 2.014) 3.733 6.580 ( 2.074 1.198 -0.191) 2.403 6.583 ( -1.751 -1.011 -2.327) 3.083 7.164 ( 3.242 1.872 -3.083) 4.849 7.176 ( 2.575 1.486 -5.537) 6.285 7.501 ( -0.188 -0.109 3.909) 3.916 8.470 ( 0.138 0.080 10.423) 10.425 8.592 ( -1.222 -0.706 7.281) 7.416 9.196 ( 2.245 1.296 -2.665) 3.718 9.290 ( 4.369 2.523 0.235) 5.051 9.415 ( -6.155 -3.554 -3.148) 7.774 9.523 ( -7.044 -4.067 0.324) 8.140 9.638 ( -5.537 -3.197 1.635) 6.599 10.081 ( -1.032 -0.596 -1.391) 1.832 10.637 ( -0.048 -0.028 1.183) 1.184 10.802 ( 2.860 1.651 -4.242) 5.376 11.530 ( 5.977 3.451 3.677) 7.820 11.946 ( 27.054 15.620 -0.526) 31.244 12.162 ( 3.028 1.748 -6.830) 7.673 12.271 ( 5.383 3.108 0.342) 6.226 12.988 ( -11.924 -6.884 4.344) 14.438 13.392 ( -4.020 -2.321 4.183) 6.249 13.462 ( -4.777 -2.758 0.634) 5.552 14.761 ( -1.493 -0.862 -21.375) 21.445 15.395 ( -3.272 -1.889 11.259) 11.876 15.471 ( 0.640 0.369 0.439) 0.859 16.161 ( -10.916 -6.303 -0.181) 12.606 16.948 ( 3.357 1.938 1.526) 4.166 17.349 ( -0.566 -0.327 -0.034) 0.654 18.462 ( 5.544 3.201 -1.001) 6.479 18.933 ( 2.410 1.391 0.539) 2.834 19.677 ( 8.582 4.955 -1.241) 9.987 20.559 ( 4.375 2.526 -16.527) 17.282 20.766 ( 1.953 1.128 -6.348) 6.737 21.478 ( -17.128 -9.889 20.751) 28.666 ======================= Grid point 98 (31/85) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -1.057 -0.610 -1.184) 1.700 1.349 ( -2.385 -1.377 -4.146) 4.977 1.385 ( 3.162 1.826 6.625) 7.565 1.501 ( -0.821 -0.474 4.818) 4.910 1.690 ( -0.510 -0.294 -4.211) 4.252 1.839 ( -3.291 -1.900 -2.950) 4.811 2.158 ( 1.957 1.130 2.707) 3.526 2.422 ( -2.464 -1.423 -13.148) 13.452 2.695 ( -3.955 -2.284 4.818) 6.639 2.945 ( 3.851 2.223 3.854) 5.884 3.687 ( -5.634 -3.253 -3.632) 7.451 3.893 ( 3.205 1.851 1.895) 4.158 4.277 ( -8.286 -4.784 0.961) 9.616 4.393 ( -9.094 -5.250 5.229) 11.730 4.662 ( 16.485 9.518 3.419) 19.340 5.218 ( -1.523 -0.880 -2.050) 2.701 5.589 ( 1.754 1.013 -0.063) 2.026 6.216 ( 3.204 1.850 -4.231) 5.620 6.223 ( -3.054 -1.763 2.107) 4.108 6.327 ( -2.342 -1.352 2.775) 3.875 6.533 ( -0.961 -0.555 -4.754) 4.882 6.595 ( -0.239 -0.138 0.016) 0.276 7.171 ( -0.534 -0.308 -3.150) 3.209 7.232 ( 4.799 2.771 -3.571) 6.592 7.478 ( -4.035 -2.330 3.152) 5.626 8.537 ( -1.267 -0.731 13.898) 13.974 8.600 ( -2.477 -1.430 7.520) 8.046 9.244 ( -2.143 -1.237 -1.468) 2.877 9.292 ( -4.304 -2.485 0.189) 4.973 9.367 ( 9.638 5.565 -7.269) 13.293 9.528 ( 7.178 4.144 0.828) 8.330 9.534 ( -4.349 -2.511 -1.675) 5.294 9.934 ( -8.750 -5.052 -4.506) 11.063 10.618 ( -1.837 -1.061 -0.254) 2.136 10.792 ( -1.194 -0.689 -4.629) 4.830 11.611 ( -2.485 -1.434 5.189) 5.929 11.941 ( -26.704 -15.417 -0.747) 30.844 12.188 ( 5.683 3.281 -3.397) 7.389 12.383 ( 0.883 0.510 4.430) 4.546 12.959 ( 7.380 4.261 3.059) 9.054 13.371 ( -3.106 -1.793 -3.278) 4.859 13.433 ( 3.893 2.248 6.016) 7.510 14.765 ( 14.467 8.353 -16.171) 23.250 15.470 ( -0.767 -0.443 0.349) 0.952 15.506 ( 6.265 3.617 8.235) 10.961 16.163 ( 11.162 6.445 -0.078) 12.889 17.006 ( 0.457 0.264 3.293) 3.335 17.349 ( 0.580 0.335 -0.040) 0.671 18.542 ( 1.756 1.014 2.379) 3.126 18.932 ( -2.784 -1.607 0.510) 3.255 19.778 ( 1.242 0.717 1.205) 1.873 20.547 ( 4.291 2.477 -16.023) 16.771 20.762 ( 1.531 0.884 -6.555) 6.789 21.270 ( -13.282 -7.668 14.815) 21.324 ======================= Grid point 99 (32/85) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -5.259 -3.036 -0.489) 6.092 1.196 ( -9.547 -5.512 -4.964) 12.090 1.492 ( 2.732 1.577 4.641) 5.611 1.504 ( -2.370 -1.368 5.995) 6.590 1.631 ( -1.901 -1.097 -6.617) 6.971 1.747 ( -3.515 -2.029 -1.329) 4.271 2.169 ( -5.061 -2.922 0.381) 5.857 2.280 ( -3.792 -2.189 -5.907) 7.353 2.675 ( 1.264 0.730 -3.365) 3.668 2.996 ( -1.351 -0.780 10.724) 10.837 3.580 ( -1.561 -0.902 -4.269) 4.634 3.865 ( -18.098 -10.449 0.414) 20.902 4.151 ( -5.237 -3.024 4.624) 7.613 4.296 ( 10.227 5.904 -0.392) 11.815 5.007 ( 13.662 7.888 2.726) 16.009 5.192 ( 1.220 0.705 -1.944) 2.401 5.668 ( 5.057 2.920 0.764) 5.889 6.152 ( -4.098 -2.366 1.670) 5.018 6.248 ( -0.412 -0.238 -0.583) 0.753 6.288 ( -1.741 -1.005 0.258) 2.027 6.499 ( 1.695 0.978 -6.778) 7.055 6.572 ( -2.487 -1.436 1.883) 3.434 7.124 ( -1.143 -0.660 -3.035) 3.309 7.291 ( 1.188 0.686 -2.198) 2.591 7.378 ( -5.980 -3.452 2.127) 7.225 8.581 ( -4.001 -2.310 8.084) 9.311 8.596 ( -2.355 -1.360 16.570) 16.792 9.075 ( -10.029 -5.790 -15.218) 19.123 9.213 ( -2.656 -1.533 0.321) 3.083 9.473 ( 2.750 1.588 1.797) 3.648 9.614 ( 11.859 6.847 -1.633) 13.790 9.730 ( 10.545 6.088 0.393) 12.182 9.778 ( -2.348 -1.356 -1.075) 2.917 10.561 ( -2.935 -1.695 -1.493) 3.704 10.654 ( -12.113 -6.993 -4.166) 14.594 11.224 ( -32.639 -18.844 -0.682) 37.695 11.519 ( -6.632 -3.829 1.383) 7.782 12.315 ( 2.224 1.284 3.884) 4.657 12.394 ( 2.327 1.344 -0.713) 2.780 13.086 ( 1.543 0.891 5.464) 5.747 13.265 ( -4.530 -2.616 -4.304) 6.774 13.514 ( -1.674 -0.966 2.547) 3.197 15.154 ( 28.050 16.194 -9.497) 33.752 15.567 ( 10.944 6.318 0.834) 12.664 15.711 ( 9.592 5.538 0.086) 11.076 16.506 ( 18.465 10.661 0.015) 21.322 17.006 ( -2.321 -1.340 2.970) 4.001 17.377 ( 2.227 1.286 -0.027) 2.572 18.567 ( -1.630 -0.941 4.178) 4.582 18.823 ( -7.647 -4.415 0.491) 8.843 19.746 ( -3.505 -2.024 -5.723) 7.010 20.553 ( 3.256 1.880 -2.981) 4.798 20.749 ( 1.281 0.739 -6.607) 6.770 21.101 ( -10.076 -5.818 9.949) 15.308 ======================= Grid point 100 (33/85) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -11.727 -6.770 1.059) 13.582 0.906 ( -15.687 -9.057 2.869) 18.340 1.398 ( -12.152 -7.016 -0.318) 14.036 1.549 ( 0.683 0.395 2.096) 2.240 1.568 ( -0.083 -0.048 -0.830) 0.835 1.689 ( -1.469 -0.848 -0.475) 1.761 1.932 ( -14.004 -8.085 -1.963) 16.289 2.214 ( -1.236 -0.714 1.748) 2.257 2.695 ( 2.758 1.592 -5.191) 6.090 3.035 ( -2.727 -1.575 9.856) 10.346 3.188 ( -36.686 -21.181 -0.759) 42.369 3.610 ( 6.570 3.793 -3.561) 8.381 4.250 ( 7.197 4.155 1.118) 8.385 4.632 ( 19.693 11.370 0.089) 22.740 5.242 ( 3.907 2.256 -1.473) 4.746 5.275 ( 10.296 5.944 1.387) 11.969 5.731 ( -1.751 -1.011 0.539) 2.092 6.133 ( 3.083 1.780 1.362) 3.811 6.167 ( -7.156 -4.131 3.754) 9.075 6.263 ( -0.683 -0.394 -2.834) 2.942 6.503 ( 2.386 1.377 -6.868) 7.400 6.525 ( -2.806 -1.620 2.901) 4.349 7.120 ( 2.708 1.563 -2.626) 4.083 7.185 ( -8.536 -4.928 1.453) 9.963 7.331 ( -0.755 -0.436 -1.383) 1.635 8.537 ( -4.920 -2.840 8.289) 10.049 8.622 ( -4.963 -2.866 4.052) 7.019 8.737 ( -11.039 -6.373 1.278) 12.810 9.185 ( -0.330 -0.191 0.217) 0.439 9.625 ( 8.484 4.898 3.668) 10.461 9.731 ( 2.528 1.459 -2.909) 4.121 9.901 ( 10.268 5.928 0.825) 11.885 9.951 ( 6.330 3.655 -0.644) 7.338 10.095 ( -30.356 -17.526 -0.544) 35.056 10.476 ( -3.907 -2.256 -2.065) 4.962 10.798 ( -9.497 -5.483 -3.301) 11.453 11.389 ( -5.520 -3.187 -0.108) 6.375 12.256 ( -5.446 -3.144 -5.680) 8.474 12.514 ( 6.304 3.640 -1.274) 7.390 13.125 ( -1.063 -0.614 6.761) 6.871 13.150 ( -3.865 -2.232 -1.747) 4.793 13.398 ( -8.468 -4.889 0.726) 9.805 15.740 ( 29.183 16.849 -4.610) 34.011 15.884 ( 9.935 5.736 -11.138) 15.990 15.892 ( 16.901 9.758 0.830) 19.533 16.870 ( 14.504 8.374 0.115) 16.748 16.947 ( -4.090 -2.361 0.189) 4.726 17.457 ( 5.768 3.330 0.011) 6.660 18.503 ( -6.479 -3.741 0.857) 7.530 18.622 ( -11.376 -6.568 0.491) 13.145 19.456 ( -13.305 -7.682 -44.665) 47.234 20.735 ( 1.312 0.757 -6.486) 6.661 20.761 ( 8.055 4.650 34.373) 35.609 20.993 ( -4.301 -2.483 18.205) 18.870 ======================= Grid point 103 (34/85) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -0.000 11.396 11.373) 16.100 0.888 ( 0.000 15.639 3.558) 16.038 1.303 ( -0.000 -1.025 18.637) 18.666 1.530 ( 0.000 5.521 0.095) 5.522 1.598 ( -0.000 4.006 3.883) 5.579 1.633 ( 0.000 5.419 -3.013) 6.200 1.643 ( 0.000 1.570 -0.123) 1.574 2.028 ( 0.000 36.581 1.839) 36.627 2.632 ( -0.000 -12.170 -6.559) 13.825 2.877 ( -0.000 3.287 13.938) 14.320 3.030 ( 0.000 10.974 -0.155) 10.975 3.571 ( 0.000 -6.569 -10.531) 12.411 4.363 ( -0.000 -6.352 -2.550) 6.845 5.119 ( -0.000 -21.062 2.503) 21.210 5.295 ( -0.000 -3.770 -0.454) 3.797 5.480 ( -0.000 -7.373 1.912) 7.617 5.651 ( 0.000 6.043 1.276) 6.176 6.056 ( 0.000 11.226 4.271) 12.011 6.226 ( -0.000 -2.843 -1.024) 3.022 6.244 ( 0.000 0.626 -0.077) 0.631 6.434 ( -0.000 -7.109 -4.910) 8.640 6.550 ( -0.000 -1.063 -0.348) 1.118 7.056 ( 0.000 11.438 3.698) 12.021 7.114 ( -0.000 -4.913 -3.469) 6.014 7.196 ( 0.000 2.578 -4.146) 4.882 8.492 ( -0.000 -3.562 8.032) 8.786 8.685 ( -0.000 7.165 12.545) 14.447 9.131 ( -0.000 -0.176 12.608) 12.610 9.185 ( 0.000 1.421 0.028) 1.421 9.390 ( 0.000 27.103 -0.555) 27.109 9.692 ( 0.000 -0.596 -1.877) 1.969 9.914 ( -0.000 -11.435 1.589) 11.544 10.151 ( -0.000 -7.367 4.209) 8.485 10.169 ( -0.000 -11.403 -3.101) 11.817 10.346 ( 0.000 2.905 -1.971) 3.511 10.505 ( 0.000 7.776 -6.157) 9.918 11.085 ( 0.000 39.127 -26.926) 47.496 11.307 ( 0.000 8.841 -3.081) 9.362 12.541 ( 0.000 -3.577 -4.996) 6.144 13.223 ( 0.000 6.157 0.551) 6.182 13.240 ( -0.000 -1.653 10.675) 10.802 13.357 ( -0.000 4.315 12.576) 13.296 15.693 ( -0.000 -18.993 -10.179) 21.549 16.216 ( -0.000 -12.491 0.226) 12.493 16.247 ( -0.000 -22.744 -0.250) 22.746 16.794 ( 0.000 4.510 -1.856) 4.877 17.092 ( -0.000 -7.264 -0.051) 7.265 17.624 ( 0.000 40.557 -13.007) 42.592 17.627 ( -0.000 -10.867 0.079) 10.867 18.382 ( 0.000 13.935 0.878) 13.963 18.399 ( 0.000 17.513 0.839) 17.534 20.564 ( 0.000 -3.381 -9.906) 10.467 20.716 ( 0.000 6.232 -7.804) 9.987 22.761 ( -0.000 -36.266 21.197) 42.007 ======================= Grid point 104 (35/85) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.914 7.558 -0.389) 7.623 1.103 ( 7.295 7.305 1.104) 10.382 1.352 ( 1.948 -6.020 5.021) 8.078 1.549 ( -4.552 2.390 1.969) 5.506 1.639 ( 0.472 2.049 -0.798) 2.249 1.753 ( 6.035 2.562 6.397) 9.160 1.889 ( 19.633 11.715 0.566) 22.869 2.306 ( 1.144 3.626 3.209) 4.975 2.586 ( 4.359 11.023 -6.200) 13.377 2.985 ( -6.607 9.767 14.318) 18.549 3.203 ( 6.638 7.727 -1.353) 10.276 3.470 ( 4.700 5.729 -7.225) 10.350 4.244 ( -5.338 -4.789 -1.516) 7.330 4.861 ( -8.325 -20.703 3.822) 22.639 5.251 ( -1.186 -5.091 -0.986) 5.319 5.351 ( -8.405 -8.987 0.919) 12.339 5.678 ( -1.381 1.937 -1.354) 2.737 6.099 ( -5.685 -0.450 1.808) 5.982 6.152 ( -0.395 1.149 0.263) 1.243 6.321 ( 3.927 0.313 -1.800) 4.331 6.385 ( 3.067 3.663 0.557) 4.810 6.651 ( 8.478 1.711 0.424) 8.659 7.017 ( -2.035 -4.954 -4.475) 6.979 7.167 ( -1.028 0.584 -4.321) 4.480 7.223 ( 4.671 8.017 3.072) 9.774 8.505 ( -0.931 -3.066 7.191) 7.873 8.750 ( -10.191 8.060 13.285) 18.583 9.235 ( 10.184 4.963 9.005) 14.472 9.331 ( -1.177 8.445 0.366) 8.534 9.535 ( -9.872 -4.904 -0.416) 11.031 9.796 ( 7.374 2.344 1.897) 7.967 9.850 ( 14.063 17.839 -0.444) 22.720 10.053 ( -4.739 -10.020 3.418) 11.599 10.086 ( -3.736 -2.987 -1.404) 4.985 10.350 ( 5.989 -4.509 -0.756) 7.534 10.659 ( 9.567 7.984 -6.279) 13.953 11.246 ( 2.777 15.818 -13.348) 20.882 11.492 ( 11.723 22.326 -14.655) 29.166 12.448 ( -2.282 -4.856 -5.481) 7.670 13.245 ( -3.305 0.765 8.725) 9.361 13.353 ( 4.545 3.909 2.836) 6.632 13.494 ( 1.692 4.152 11.677) 12.508 15.366 ( -9.605 -13.956 -14.661) 22.405 15.779 ( -12.099 -30.875 2.234) 33.236 16.332 ( 10.153 -14.855 0.661) 18.005 16.654 ( -15.585 4.841 -2.686) 16.539 16.983 ( -5.610 -7.649 -0.129) 9.487 17.386 ( -7.219 -12.081 -0.185) 14.074 18.019 ( 9.369 27.377 -9.791) 30.547 18.617 ( 4.461 18.220 0.162) 18.759 18.710 ( 21.254 13.653 -1.688) 25.318 20.482 ( 1.780 -3.043 -10.770) 11.333 20.729 ( 0.207 7.175 -8.532) 11.150 22.439 ( -16.742 -28.615 24.597) 41.281 ======================= Grid point 105 (36/85) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 3.466 5.338 -2.651) 6.895 1.243 ( 4.797 2.495 -0.507) 5.431 1.348 ( 2.467 -5.458 0.660) 6.026 1.524 ( -3.289 2.536 3.059) 5.158 1.662 ( 1.338 1.030 -1.021) 1.973 1.863 ( 3.955 -0.391 1.128) 4.132 2.159 ( 9.922 -9.563 -6.394) 15.192 2.367 ( -2.214 9.690 7.372) 12.375 2.752 ( 2.503 17.207 -6.734) 18.647 2.988 ( -6.755 -0.056 11.484) 13.323 3.279 ( 12.568 -4.953 0.191) 13.510 3.812 ( 8.454 18.128 -3.328) 20.277 4.185 ( 1.911 8.925 2.698) 9.517 4.565 ( -10.023 -15.795 4.246) 19.182 5.025 ( -13.225 -13.473 0.020) 18.879 5.237 ( -1.213 1.408 -1.615) 2.462 5.622 ( -3.676 -0.959 -3.376) 5.082 6.023 ( 2.925 -8.735 2.069) 9.441 6.204 ( -0.480 6.302 -0.159) 6.322 6.405 ( 6.934 -1.214 -0.441) 7.053 6.469 ( -0.683 6.942 1.198) 7.078 6.727 ( -1.767 -2.669 1.688) 3.619 6.982 ( 5.865 3.507 -5.944) 9.057 7.126 ( 0.552 -2.140 -5.093) 5.552 7.386 ( 5.336 3.838 3.838) 7.611 8.498 ( -2.164 -1.621 7.123) 7.619 8.757 ( -9.006 9.364 13.349) 18.628 9.289 ( -8.417 -1.976 -4.516) 9.754 9.361 ( -6.398 12.111 -0.352) 13.702 9.491 ( 3.582 -2.653 4.299) 6.193 9.763 ( 0.713 -6.852 1.736) 7.104 9.884 ( -7.456 -7.992 3.291) 11.415 10.002 ( -2.783 3.890 4.114) 6.309 10.391 ( 9.733 -4.371 -0.959) 10.712 10.565 ( 36.101 12.493 -3.601) 38.371 10.832 ( 6.047 10.427 -5.096) 13.087 11.362 ( 4.816 12.083 -3.877) 13.573 11.843 ( 14.872 25.956 -11.758) 32.142 12.319 ( -3.329 -5.274 -5.644) 8.412 13.237 ( -5.184 -2.467 9.811) 11.367 13.428 ( 1.452 -4.097 1.757) 4.688 13.607 ( -0.740 4.214 6.817) 8.049 14.986 ( -10.450 -9.953 -17.451) 22.645 15.385 ( -4.483 -26.359 4.524) 27.118 16.120 ( -25.920 4.787 1.076) 26.380 16.591 ( 7.814 -12.479 -1.454) 14.795 16.751 ( -12.104 -5.183 -0.024) 13.167 17.232 ( 3.861 -16.444 0.420) 16.897 18.308 ( 5.645 20.819 -5.101) 22.166 18.829 ( 2.967 13.688 0.594) 14.018 19.164 ( 22.038 9.662 -3.735) 24.351 20.429 ( 3.275 -2.263 -10.879) 11.584 20.741 ( 0.010 7.214 -9.002) 11.536 22.080 ( -18.558 -20.547 22.844) 35.894 ======================= Grid point 106 (37/85) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 4.786 4.536 -0.280) 6.600 1.293 ( 2.971 -3.983 0.924) 5.054 1.366 ( 1.802 0.806 0.196) 1.984 1.527 ( -1.643 1.997 3.673) 4.492 1.678 ( 1.112 0.297 -2.775) 3.004 1.892 ( 0.983 -1.343 -1.734) 2.403 2.147 ( 11.783 -15.990 -6.927) 21.036 2.353 ( -12.219 12.166 0.689) 17.257 2.853 ( -2.422 13.100 -8.448) 15.775 2.978 ( -6.106 4.034 11.670) 13.775 3.546 ( 20.699 -8.437 4.453) 22.791 3.868 ( -1.365 0.918 -1.540) 2.253 4.278 ( -2.557 -10.185 3.567) 11.091 4.514 ( 0.147 19.014 3.202) 19.282 4.689 ( -11.911 -13.463 0.610) 17.986 5.270 ( 0.460 6.741 -1.325) 6.885 5.554 ( -0.826 1.032 -2.318) 2.669 6.049 ( 8.797 -9.182 0.834) 12.743 6.218 ( -1.934 1.539 -2.269) 3.355 6.404 ( -1.895 -7.439 2.093) 7.957 6.543 ( 1.769 7.134 -0.903) 7.406 6.698 ( -3.935 5.940 0.924) 7.185 7.082 ( 3.280 0.435 -6.481) 7.277 7.103 ( 4.790 1.474 -3.682) 6.219 7.490 ( 3.023 -1.611 3.954) 5.231 8.524 ( 0.240 -0.388 8.610) 8.622 8.794 ( -8.182 9.842 12.838) 18.128 9.149 ( -1.430 -2.081 -4.102) 4.817 9.397 ( -5.630 13.502 0.055) 14.629 9.412 ( -3.653 -6.295 -1.444) 7.420 9.645 ( -8.100 -3.574 0.675) 8.879 9.734 ( -8.099 -1.244 0.459) 8.207 10.065 ( 0.738 -0.526 0.142) 0.917 10.458 ( 8.621 -10.191 0.277) 13.351 10.929 ( -3.455 15.967 -4.584) 16.968 11.228 ( 38.116 -1.363 -3.179) 38.272 11.607 ( 12.429 8.762 3.535) 15.613 12.188 ( -2.045 -1.959 -6.511) 7.100 12.289 ( 11.891 30.235 -2.581) 32.591 13.082 ( -9.913 -17.546 3.415) 20.440 13.385 ( -1.334 -5.613 6.470) 8.669 13.595 ( -7.990 0.977 2.306) 8.373 14.670 ( -5.714 -4.463 -17.000) 18.482 15.257 ( 5.459 -11.276 5.420) 13.650 15.821 ( -19.468 12.670 0.876) 23.244 16.335 ( -17.258 -6.942 -0.416) 18.607 16.761 ( 13.285 -11.654 0.930) 17.697 17.179 ( 7.895 -17.373 0.509) 19.089 18.519 ( 1.414 17.706 -2.024) 17.878 18.962 ( 0.347 8.501 0.909) 8.557 19.507 ( 15.526 4.144 -3.076) 16.361 20.406 ( 4.148 -1.301 -9.404) 10.360 20.744 ( -0.281 6.551 -9.237) 11.328 21.767 ( -16.871 -14.865 18.218) 28.940 ======================= Grid point 107 (38/85) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 0.357 1.124 -0.563) 1.307 1.316 ( 2.257 -2.481 -0.783) 3.444 1.398 ( 1.147 1.005 2.699) 3.100 1.556 ( -0.887 2.150 5.357) 5.840 1.661 ( -0.106 -0.838 -4.636) 4.712 1.853 ( -2.247 -1.183 -2.679) 3.691 2.174 ( 12.627 -9.638 -10.292) 18.928 2.311 ( -7.672 14.938 0.021) 16.793 2.781 ( -7.596 -3.808 4.078) 9.425 3.059 ( -1.615 15.369 0.991) 15.485 3.597 ( -1.068 -20.084 1.940) 20.206 3.870 ( 2.373 1.589 0.657) 2.930 4.324 ( -0.039 -7.239 0.208) 7.242 4.411 ( 5.927 -4.876 3.992) 8.651 4.664 ( -5.346 10.044 4.833) 12.362 5.295 ( -4.640 7.677 -1.807) 9.150 5.578 ( 1.054 2.036 -0.363) 2.322 6.116 ( 4.920 -11.995 0.627) 12.980 6.153 ( 3.479 -1.490 -4.006) 5.511 6.339 ( -1.197 -3.431 2.020) 4.157 6.607 ( -0.391 5.149 -1.228) 5.308 6.665 ( -8.456 7.804 -0.620) 11.524 7.121 ( 5.709 2.062 -5.620) 8.273 7.156 ( 2.150 1.632 -3.130) 4.133 7.505 ( -0.394 -4.637 3.446) 5.791 8.577 ( 0.311 -3.795 9.997) 10.697 8.837 ( -8.624 10.634 12.877) 18.796 9.184 ( 8.325 -0.186 -0.661) 8.354 9.248 ( -3.662 -4.057 -7.309) 9.127 9.471 ( -2.137 6.854 0.506) 7.197 9.502 ( -10.364 3.883 -0.120) 11.068 9.626 ( -3.792 4.336 -0.491) 5.781 9.973 ( -5.923 -5.620 -3.441) 8.860 10.469 ( 5.547 -11.525 -0.651) 12.807 10.944 ( -7.151 13.572 -5.840) 16.414 11.637 ( 7.145 -0.166 8.105) 10.805 11.821 ( 10.902 -11.038 -1.507) 15.588 12.153 ( 2.232 -1.408 -4.435) 5.160 12.626 ( -8.689 22.168 0.964) 23.830 12.800 ( 7.118 -15.754 0.010) 17.288 13.361 ( -3.741 -3.355 4.793) 6.945 13.480 ( -2.984 -1.615 3.798) 5.093 14.558 ( 5.292 4.726 -13.391) 15.155 15.346 ( 8.432 -3.229 3.044) 9.528 15.738 ( -11.023 16.211 -1.228) 19.642 16.127 ( -1.208 3.395 -0.161) 3.607 16.860 ( 11.455 -12.788 1.908) 17.274 17.159 ( 9.800 -18.217 0.355) 20.689 18.648 ( -3.119 14.331 0.047) 14.666 19.009 ( -2.991 5.214 1.075) 6.107 19.688 ( 7.950 -0.820 -4.146) 9.003 20.423 ( 4.539 -0.209 -3.753) 5.893 20.735 ( -0.445 5.518 -9.080) 10.635 21.500 ( -14.417 -10.876 12.995) 22.248 ======================= Grid point 108 (39/85) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -3.036 -1.397 -0.231) 3.350 1.256 ( -4.777 -1.022 -5.028) 7.010 1.462 ( 2.656 -1.277 3.433) 4.525 1.597 ( -1.685 2.437 6.725) 7.349 1.602 ( -1.327 -1.761 -5.887) 6.286 1.781 ( -3.477 -0.443 -2.070) 4.071 2.195 ( 5.468 -0.259 -14.158) 15.179 2.369 ( -8.619 16.623 2.419) 18.881 2.675 ( -3.423 -5.168 7.916) 10.054 3.135 ( -5.754 5.437 5.186) 9.464 3.366 ( 2.370 -22.252 -3.471) 22.646 3.965 ( 4.309 4.292 -0.112) 6.083 4.190 ( 2.042 -6.026 1.374) 6.509 4.464 ( -20.541 2.719 5.045) 21.326 4.776 ( 17.487 -1.327 2.496) 17.714 5.261 ( -5.295 7.083 -1.871) 9.039 5.629 ( 3.410 3.643 0.531) 5.018 6.017 ( 3.292 -15.025 -1.053) 15.417 6.255 ( 4.095 3.641 -1.114) 5.592 6.314 ( 1.163 -2.517 0.733) 2.867 6.561 ( -8.228 2.387 -0.255) 8.571 6.630 ( -3.509 5.835 -1.276) 6.927 7.125 ( -1.484 1.539 -4.767) 5.224 7.233 ( 4.747 2.722 -2.928) 6.206 7.439 ( -4.098 -5.238 1.878) 6.911 8.583 ( -0.317 -8.462 10.154) 13.221 8.886 ( -8.890 10.899 14.916) 20.501 9.054 ( -7.154 -6.869 -13.127) 16.452 9.332 ( 0.194 3.945 -1.823) 4.350 9.444 ( 2.772 6.033 1.990) 6.931 9.477 ( 4.173 0.511 1.067) 4.337 9.713 ( -0.584 8.367 1.295) 8.486 9.815 ( -3.072 0.072 -0.866) 3.192 10.427 ( 4.023 -12.036 -1.423) 12.770 10.868 ( -12.152 9.888 -6.628) 17.011 11.505 ( -24.295 -22.075 0.433) 32.829 11.612 ( -8.429 -5.695 2.988) 10.602 12.231 ( 10.458 3.141 -2.226) 11.144 12.526 ( -14.514 6.073 1.719) 15.827 13.012 ( 16.320 -2.266 1.397) 16.536 13.269 ( -4.281 -3.556 -0.443) 5.583 13.519 ( 2.156 -1.899 5.737) 6.416 14.747 ( 18.890 5.608 -6.406) 20.720 15.490 ( 10.460 2.941 -2.669) 11.189 15.758 ( -2.179 19.924 -4.350) 20.509 16.347 ( 14.596 12.868 -0.345) 19.462 16.901 ( 7.402 -13.634 1.232) 15.563 17.164 ( 11.712 -17.746 0.052) 21.263 18.673 ( -6.427 6.950 0.137) 9.467 18.982 ( -7.646 5.746 1.287) 9.651 19.677 ( -0.585 -3.921 -12.651) 13.258 20.527 ( 6.447 1.050 11.007) 12.799 20.720 ( -0.327 4.810 -7.874) 9.233 21.274 ( -11.601 -8.215 8.786) 16.711 ======================= Grid point 109 (40/85) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -6.970 -1.874 1.259) 7.327 1.107 ( -10.778 0.466 0.229) 10.790 1.452 ( -2.903 -3.111 -3.751) 5.673 1.539 ( 0.258 -2.164 -1.277) 2.526 1.629 ( -2.619 2.888 5.825) 7.009 1.715 ( -3.431 -0.200 -0.717) 3.510 2.177 ( -7.592 4.338 -4.947) 10.047 2.252 ( -11.814 4.136 0.220) 12.519 2.676 ( -0.577 2.147 1.765) 2.838 3.106 ( -4.667 -4.916 7.184) 9.877 3.237 ( 5.457 -15.967 -2.559) 17.067 3.875 ( -28.165 4.109 -1.774) 28.518 4.186 ( 0.091 -1.331 1.803) 2.243 4.383 ( 18.043 2.811 2.938) 18.495 5.067 ( 17.374 -0.466 0.478) 17.387 5.262 ( -0.484 4.437 -0.814) 4.537 5.727 ( 1.999 2.875 -0.578) 3.549 5.973 ( 7.901 -10.409 0.711) 13.087 6.242 ( -3.905 -1.927 1.400) 4.574 6.363 ( -2.101 5.321 -1.495) 5.913 6.454 ( -3.716 -0.183 -1.463) 3.997 6.615 ( -3.197 3.467 1.216) 4.870 7.092 ( -0.389 2.447 -4.468) 5.109 7.262 ( -2.213 -0.812 -0.179) 2.364 7.329 ( -3.460 -2.557 -1.537) 4.569 8.548 ( -0.592 -9.533 6.790) 11.719 8.728 ( -11.697 -7.833 -9.173) 16.803 8.945 ( -9.338 8.180 17.005) 21.055 9.358 ( -4.620 11.143 0.429) 12.070 9.535 ( 5.544 -1.229 2.520) 6.212 9.613 ( 4.031 -2.716 -0.960) 4.954 9.755 ( 12.258 0.745 1.553) 12.378 9.953 ( 4.178 13.274 0.681) 13.932 10.369 ( 2.747 -9.437 -1.581) 9.955 10.512 ( -34.118 -7.290 -3.349) 35.049 10.977 ( -16.707 -3.645 -2.015) 17.218 11.464 ( -6.936 -2.635 -0.280) 7.425 12.323 ( -11.651 -2.053 -7.217) 13.858 12.408 ( 8.807 2.441 -1.417) 9.248 13.148 ( 0.650 -4.225 0.223) 4.280 13.200 ( -1.215 1.481 6.751) 7.018 13.500 ( -5.922 -2.639 2.395) 6.911 15.168 ( 32.821 1.102 -1.014) 32.855 15.652 ( 11.518 1.643 -13.363) 17.719 16.008 ( 7.133 28.206 -3.270) 29.277 16.696 ( 15.083 5.529 -1.490) 16.134 16.870 ( 4.627 -10.759 -0.670) 11.731 17.220 ( 13.669 -12.826 0.003) 18.744 18.566 ( -9.079 -1.485 -3.053) 9.693 18.876 ( -13.510 4.551 1.222) 14.308 19.406 ( -14.403 -2.943 -27.123) 30.850 20.685 ( 1.470 3.190 -7.079) 7.902 20.840 ( 8.268 3.252 21.232) 23.016 21.133 ( -2.295 -5.302 19.078) 19.933 ======================= Grid point 113 (41/85) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 0.000 4.720 2.219) 5.216 1.079 ( 0.000 9.568 -5.993) 11.290 1.302 ( -0.000 -9.483 5.063) 10.750 1.615 ( 0.000 0.967 0.562) 1.118 1.664 ( 0.000 0.952 -0.344) 1.013 1.763 ( -0.000 1.215 7.794) 7.888 1.829 ( 0.000 17.857 -1.351) 17.908 2.178 ( -0.000 -16.944 -3.435) 17.289 2.784 ( 0.000 21.837 7.613) 23.126 3.189 ( 0.000 1.141 -5.026) 5.154 3.359 ( 0.000 30.224 8.945) 31.520 3.363 ( 0.000 4.452 -4.267) 6.167 4.242 ( -0.000 -2.183 -1.138) 2.462 4.744 ( -0.000 -22.470 3.763) 22.783 5.215 ( -0.000 -4.145 0.147) 4.147 5.312 ( -0.000 -12.548 0.189) 12.549 5.705 ( 0.000 -1.013 -2.130) 2.359 6.166 ( 0.000 0.176 -0.563) 0.590 6.185 ( -0.000 0.717 0.974) 1.209 6.270 ( 0.000 -2.210 -3.657) 4.273 6.394 ( 0.000 7.698 5.004) 9.181 6.591 ( 0.000 4.334 -0.227) 4.340 6.933 ( -0.000 -8.057 -4.521) 9.238 7.144 ( 0.000 -2.314 -4.818) 5.345 7.304 ( 0.000 9.937 3.585) 10.564 8.543 ( -0.000 -0.217 6.281) 6.284 8.995 ( -0.000 7.097 13.582) 15.324 9.193 ( 0.000 0.560 0.116) 0.572 9.439 ( -0.000 11.502 13.215) 17.519 9.597 ( -0.000 -6.098 -3.066) 6.826 9.735 ( -0.000 -9.784 1.598) 9.913 9.836 ( 0.000 -0.139 -5.971) 5.972 10.021 ( -0.000 -12.896 4.809) 13.763 10.106 ( 0.000 25.063 0.904) 25.079 10.398 ( 0.000 5.733 -1.561) 5.942 10.585 ( 0.000 14.068 -6.180) 15.366 11.305 ( 0.000 16.211 -10.512) 19.321 11.521 ( 0.000 24.554 -14.154) 28.341 12.378 ( 0.000 -6.178 -5.818) 8.486 13.350 ( -0.000 -1.859 10.576) 10.738 13.366 ( 0.000 5.891 1.781) 6.155 13.601 ( -0.000 5.876 10.131) 11.711 15.206 ( -0.000 -17.220 -12.850) 21.486 15.699 ( -0.000 -35.371 3.531) 35.547 15.921 ( -0.000 -18.482 0.471) 18.488 16.870 ( -0.000 -16.823 -0.110) 16.824 16.875 ( 0.000 6.480 -2.036) 6.792 17.457 ( -0.000 -6.850 0.013) 6.850 18.077 ( 0.000 24.911 -10.242) 26.935 18.650 ( 0.000 13.178 0.757) 13.200 18.784 ( 0.000 22.007 0.007) 22.007 20.374 ( 0.000 -3.107 -9.366) 9.868 20.744 ( 0.000 8.937 -9.915) 13.348 22.432 ( -0.000 -29.602 20.654) 36.095 ======================= Grid point 114 (42/85) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -3.416 3.232 -0.988) 4.805 1.199 ( 5.585 5.601 -3.098) 8.494 1.246 ( 1.159 -9.291 3.239) 9.907 1.600 ( -2.307 1.146 0.032) 2.576 1.652 ( -0.450 -0.422 -0.553) 0.829 1.802 ( 1.376 -1.603 0.492) 2.169 1.975 ( 1.324 -6.613 -1.692) 6.954 2.271 ( 24.601 6.054 1.902) 25.407 2.920 ( -9.761 12.286 2.174) 15.841 3.089 ( -3.229 -0.165 -4.754) 5.749 3.339 ( -7.219 10.398 8.881) 15.463 3.806 ( 9.642 16.615 -1.976) 19.312 4.267 ( 1.641 12.497 1.688) 12.717 4.543 ( -3.446 -16.167 3.635) 16.926 5.072 ( -8.750 -13.618 0.074) 16.187 5.236 ( 1.069 -2.609 -0.966) 2.980 5.630 ( -2.523 -2.561 -3.824) 5.249 6.020 ( -8.918 -4.125 1.582) 9.953 6.268 ( 6.205 -1.875 -1.504) 6.655 6.301 ( 0.003 6.461 0.983) 6.536 6.517 ( 3.568 6.650 2.956) 8.105 6.668 ( 3.259 -2.741 0.404) 4.278 6.875 ( 5.167 -1.336 -4.563) 7.021 7.075 ( -0.489 -3.567 -4.609) 5.849 7.412 ( 0.539 6.553 3.452) 7.426 8.571 ( -2.035 1.782 5.450) 6.084 9.085 ( -8.550 7.645 13.041) 17.367 9.297 ( 7.807 0.249 -1.249) 7.911 9.418 ( -4.013 -6.819 0.425) 7.923 9.589 ( -2.948 10.094 2.341) 10.773 9.654 ( 1.597 -8.544 1.957) 8.910 9.860 ( 0.591 -12.551 1.301) 12.632 9.994 ( 13.096 -6.310 1.310) 14.596 10.306 ( -2.937 1.142 -1.651) 3.557 10.351 ( -2.373 21.841 -2.675) 22.132 10.867 ( 7.334 25.287 -3.030) 26.503 11.404 ( 1.891 13.370 -3.536) 13.959 11.791 ( 13.918 29.790 -12.220) 35.078 12.268 ( -1.745 -6.484 -5.779) 8.859 13.344 ( -5.525 -7.220 7.897) 12.042 13.412 ( -0.084 -0.227 3.787) 3.795 13.712 ( -0.629 7.160 5.706) 9.177 14.921 ( -6.394 -13.594 -14.053) 20.571 15.278 ( -8.451 -27.255 6.415) 29.247 15.981 ( 19.665 -21.130 0.941) 28.880 16.644 ( -10.480 -9.928 -1.233) 14.489 16.839 ( -6.492 -1.422 -1.118) 6.740 17.225 ( -16.430 -5.420 0.320) 17.304 18.329 ( 10.099 17.310 -5.672) 20.827 18.906 ( 14.803 8.938 -0.211) 17.293 18.978 ( 0.899 19.367 -0.597) 19.397 20.309 ( 1.688 -2.283 -7.325) 7.856 20.761 ( -0.433 9.469 -10.680) 14.280 22.223 ( -9.164 -24.514 18.103) 31.822 ======================= Grid point 115 (43/85) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 5.648 1.535 2.477) 6.356 1.212 ( 1.782 -6.645 1.902) 7.137 1.313 ( 5.442 3.058 -1.294) 6.375 1.575 ( -0.408 -1.071 -0.445) 1.229 1.641 ( 0.458 -0.841 -1.023) 1.402 1.794 ( 2.807 -3.615 -3.824) 5.964 1.925 ( 0.790 -5.472 -0.658) 5.568 2.700 ( -0.220 14.918 2.796) 15.180 2.796 ( 5.560 -2.581 -5.571) 8.283 3.093 ( -1.358 8.996 -3.997) 9.937 3.397 ( -1.727 2.884 13.741) 14.146 3.883 ( -0.890 1.272 -3.111) 3.477 4.257 ( -5.992 -13.280 3.986) 15.105 4.655 ( 5.136 15.606 0.913) 16.455 4.774 ( -11.908 -9.384 0.585) 15.173 5.278 ( 4.888 6.126 -1.123) 7.917 5.579 ( -0.346 1.270 -3.780) 4.002 5.888 ( -1.544 -6.794 1.977) 7.242 6.251 ( -3.072 -8.045 -2.040) 8.850 6.356 ( 0.432 3.241 1.262) 3.505 6.607 ( -0.362 3.821 1.770) 4.226 6.724 ( 7.108 3.013 0.276) 7.725 6.990 ( 8.022 -0.358 -2.401) 8.381 7.027 ( 0.679 1.775 -5.070) 5.415 7.470 ( 0.018 -0.018 3.458) 3.458 8.591 ( -2.131 2.837 5.536) 6.575 9.067 ( -7.180 2.165 7.420) 10.550 9.184 ( -7.221 -1.241 -0.925) 7.385 9.425 ( -3.353 -2.262 2.015) 4.518 9.612 ( -5.878 6.049 0.524) 8.451 9.674 ( 1.926 -2.614 1.152) 3.445 9.784 ( 2.676 -4.634 0.889) 5.424 10.113 ( -1.570 2.319 -1.655) 3.253 10.235 ( 6.145 -8.902 -0.409) 10.824 10.663 ( 23.982 11.230 -1.977) 26.555 11.098 ( -1.505 22.325 -7.541) 23.612 11.585 ( 6.026 10.254 4.419) 12.688 12.132 ( -1.416 -6.406 -5.557) 8.598 12.333 ( 18.523 35.432 -4.446) 40.228 13.061 ( -13.044 -25.910 1.395) 29.042 13.437 ( -1.305 -0.889 8.261) 8.411 13.746 ( -6.155 4.078 1.663) 7.568 14.622 ( -6.182 -7.288 -13.057) 16.181 15.113 ( 4.011 -12.154 6.918) 14.549 16.071 ( 7.150 -10.437 0.768) 12.674 16.401 ( -6.545 -5.419 -2.094) 8.751 16.647 ( -12.341 -4.918 -0.462) 13.293 16.960 ( -5.193 -12.732 1.300) 13.811 18.603 ( 7.878 15.977 -2.450) 17.981 19.075 ( -1.557 9.536 1.506) 9.779 19.262 ( 16.314 6.433 -2.886) 17.772 20.295 ( 3.105 -1.083 -3.821) 5.041 20.765 ( -1.117 9.118 -10.915) 14.266 21.951 ( -12.385 -18.742 14.200) 26.576 ======================= Grid point 116 (44/85) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 1.465 2.523 0.712) 3.003 1.217 ( 5.817 -5.635 1.635) 8.262 1.400 ( 1.858 2.237 0.954) 3.061 1.585 ( 4.087 -2.429 -1.335) 4.938 1.634 ( -0.809 1.326 0.636) 1.679 1.806 ( 6.239 -1.811 -5.537) 8.536 1.886 ( 1.437 -4.376 -1.441) 4.827 2.633 ( -11.326 16.561 -0.289) 20.065 2.878 ( -3.472 0.972 -2.688) 4.497 3.150 ( 3.282 1.965 -2.570) 4.608 3.482 ( -0.175 -7.662 10.689) 13.153 3.879 ( -0.311 4.117 -2.024) 4.599 4.137 ( 6.190 -7.117 1.076) 9.493 4.438 ( -11.199 -14.529 2.448) 18.507 4.832 ( -1.982 8.616 1.861) 9.035 5.436 ( -0.278 12.274 -1.114) 12.327 5.590 ( 0.857 4.868 -0.981) 5.039 5.902 ( 9.230 -6.324 1.038) 11.236 6.058 ( -4.168 -13.357 -3.345) 14.386 6.368 ( -2.367 1.105 2.063) 3.329 6.664 ( 0.568 4.668 -0.425) 4.721 6.839 ( -2.170 6.681 0.999) 7.095 7.019 ( 5.012 3.065 -4.802) 7.587 7.109 ( 4.213 2.720 -2.668) 5.680 7.463 ( 0.461 -6.299 3.180) 7.071 8.619 ( -1.905 0.074 6.717) 6.982 9.043 ( 1.828 -0.331 -1.728) 2.537 9.078 ( -3.249 -3.491 0.956) 4.864 9.349 ( -9.635 4.462 5.514) 11.965 9.518 ( -4.946 -4.006 2.595) 6.874 9.695 ( -2.354 0.152 -2.029) 3.111 9.779 ( -5.180 15.003 -1.246) 15.921 10.013 ( -7.191 -1.237 -1.529) 7.455 10.272 ( 6.863 -9.734 -1.295) 11.980 11.100 ( 4.073 7.968 -4.745) 10.129 11.325 ( 24.879 16.381 0.665) 29.795 11.750 ( -0.017 1.625 3.978) 4.297 12.058 ( 3.484 -1.598 -4.752) 6.105 12.548 ( -7.140 -31.422 -0.233) 32.223 12.892 ( 6.471 26.632 -1.303) 27.438 13.453 ( -1.614 -2.637 9.581) 10.068 13.583 ( -13.804 -4.067 -0.342) 14.395 14.483 ( 1.293 3.800 -9.509) 10.322 15.190 ( 8.773 -4.943 3.589) 10.690 16.057 ( -7.798 15.261 -2.367) 17.301 16.246 ( -10.259 -1.045 -1.588) 10.434 16.520 ( 10.529 -14.125 1.268) 17.663 16.826 ( 5.680 -21.084 0.914) 21.855 18.820 ( 1.289 15.758 -0.986) 15.842 19.105 ( -2.719 3.472 1.788) 4.758 19.497 ( 11.219 0.676 -4.131) 11.974 20.346 ( 4.731 0.325 2.518) 5.369 20.754 ( -1.617 8.222 -10.474) 13.413 21.676 ( -12.668 -14.027 9.488) 21.148 ======================= Grid point 117 (45/85) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -1.886 -0.320 0.357) 1.946 1.247 ( 1.316 -0.657 -4.395) 4.634 1.440 ( 1.220 0.272 1.581) 2.015 1.563 ( -0.295 -2.611 -4.695) 5.380 1.682 ( -0.731 2.425 6.428) 6.909 1.813 ( -1.758 1.315 -3.373) 4.024 1.963 ( 12.507 1.334 -7.782) 14.791 2.701 ( -5.393 22.980 2.339) 23.720 2.763 ( -6.644 -3.694 4.598) 8.884 3.121 ( 0.175 -16.835 -2.991) 17.100 3.340 ( -10.968 -2.734 4.284) 12.088 3.930 ( 2.976 5.668 -0.680) 6.438 4.147 ( -4.942 -10.578 0.464) 11.685 4.396 ( 19.742 -2.564 2.094) 20.017 4.817 ( -8.525 0.443 3.259) 9.137 5.448 ( -9.311 9.211 -1.749) 13.213 5.645 ( 0.867 5.556 1.343) 5.781 5.844 ( -0.755 -14.321 -1.807) 14.454 6.087 ( 14.028 -0.702 -0.860) 14.071 6.341 ( -2.991 -0.483 2.487) 3.920 6.665 ( -3.962 1.950 -1.453) 4.649 6.793 ( -7.936 4.974 -0.176) 9.367 7.130 ( 1.341 6.219 -5.535) 8.433 7.178 ( 4.950 4.321 -0.704) 6.608 7.417 ( 0.279 -8.185 1.581) 8.341 8.595 ( -3.321 -5.940 7.646) 10.235 8.974 ( -2.041 -5.631 -7.297) 9.440 9.112 ( 4.306 0.008 -4.259) 6.057 9.320 ( -2.510 5.874 11.387) 13.056 9.451 ( -1.385 -2.145 2.301) 3.437 9.598 ( -8.501 6.001 -0.207) 10.408 9.861 ( -8.693 -3.148 -0.259) 9.249 9.900 ( -0.952 16.011 2.134) 16.180 10.247 ( 3.874 -11.192 -1.048) 11.890 11.096 ( -7.957 13.548 -9.011) 18.113 11.647 ( -12.154 -8.143 2.149) 14.787 11.676 ( -4.171 -7.328 4.151) 9.398 12.052 ( 10.732 -1.058 -1.997) 10.967 12.543 ( 30.223 -5.500 -2.225) 30.799 12.931 ( -22.514 8.924 -0.309) 24.220 13.333 ( -7.234 -3.948 -1.037) 8.306 13.501 ( 2.849 -4.643 8.885) 10.422 14.602 ( 7.809 9.757 -2.556) 12.756 15.303 ( 9.436 -1.921 -4.342) 10.563 16.001 ( -10.442 15.936 -3.826) 19.433 16.287 ( 7.003 13.251 -1.283) 15.042 16.608 ( 11.974 -13.513 0.939) 18.079 16.766 ( 13.466 -22.114 0.070) 25.891 18.870 ( -8.712 7.911 -0.674) 11.787 19.109 ( -1.248 1.996 1.274) 2.677 19.569 ( 2.645 -0.448 -7.909) 8.352 20.496 ( 7.552 1.656 10.981) 13.430 20.740 ( -1.125 7.293 -7.903) 10.813 21.417 ( -11.335 -10.897 5.639) 16.704 ======================= Grid point 118 (46/85) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -3.799 -0.022 0.041) 3.799 1.221 ( -2.089 3.692 -3.524) 5.515 1.442 ( -1.256 -0.573 -2.977) 3.281 1.505 ( -0.309 -3.695 -0.465) 3.737 1.707 ( -2.009 0.913 2.825) 3.585 1.786 ( -2.531 2.941 1.075) 4.026 2.119 ( 8.074 8.782 -9.755) 15.410 2.597 ( -15.712 -1.968 2.725) 16.068 2.773 ( -7.583 -10.256 9.231) 15.745 3.019 ( 7.899 9.173 -1.375) 12.183 3.194 ( -8.481 -4.399 1.269) 9.638 4.010 ( 0.873 -0.713 -2.497) 2.739 4.122 ( 11.606 -0.311 2.066) 11.793 4.539 ( -24.439 -2.477 3.792) 24.855 4.738 ( 21.018 -3.298 0.600) 21.284 5.336 ( -6.929 1.830 -1.405) 7.303 5.724 ( 0.260 -5.488 -2.808) 6.171 5.790 ( 7.126 5.333 2.227) 9.175 6.289 ( 0.790 -1.009 0.569) 1.402 6.311 ( 6.451 2.617 0.764) 7.003 6.566 ( -7.436 -1.178 -0.103) 7.529 6.713 ( -5.731 2.234 0.054) 6.151 7.126 ( -2.627 4.076 -3.293) 5.862 7.262 ( 0.769 3.802 -4.556) 5.983 7.353 ( -1.579 -4.200 1.719) 4.805 8.519 ( -2.627 -8.381 4.548) 9.891 8.759 ( -8.287 -8.300 -6.646) 13.481 9.188 ( 4.005 2.654 4.872) 6.842 9.417 ( -0.535 2.562 0.928) 2.777 9.529 ( 0.744 4.383 9.835) 10.793 9.574 ( 5.201 -1.322 0.631) 5.404 9.673 ( -9.676 -0.651 -0.050) 9.698 9.994 ( 0.347 -1.973 2.527) 3.225 10.252 ( 5.114 2.720 -0.626) 5.826 10.982 ( -19.511 17.460 -9.016) 27.692 11.202 ( -22.147 -13.163 2.033) 25.843 11.541 ( -6.140 -2.484 -0.874) 6.681 12.256 ( 10.094 1.957 -1.210) 10.353 12.544 ( -22.505 -3.053 -4.333) 23.121 12.989 ( 19.364 0.171 1.206) 19.402 13.246 ( -0.350 -0.288 1.840) 1.895 13.542 ( 0.102 -3.469 5.984) 6.917 14.834 ( 14.093 6.707 2.817) 15.860 15.385 ( 9.833 -1.134 -15.048) 18.012 16.073 ( 4.371 7.311 -0.611) 8.540 16.491 ( 9.521 0.950 -5.102) 10.843 16.650 ( 10.456 -9.286 0.376) 13.989 16.915 ( 15.575 1.258 0.581) 15.637 18.716 ( -12.250 -1.104 -2.436) 12.539 19.054 ( -7.209 -3.226 -0.040) 7.899 19.484 ( -8.060 6.103 -11.870) 15.592 20.656 ( 1.810 5.238 -6.082) 8.228 20.848 ( 7.935 3.301 13.660) 16.139 21.218 ( -4.904 -9.047 10.662) 14.817 ======================= Grid point 123 (47/85) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.000 2.240 -0.105) 2.243 1.087 ( -0.000 -9.102 3.398) 9.715 1.231 ( 0.000 2.792 0.312) 2.809 1.623 ( 0.000 0.961 -1.572) 1.843 1.638 ( -0.000 -4.312 -0.900) 4.405 1.798 ( -0.000 -4.193 2.051) 4.667 1.915 ( -0.000 -5.191 0.126) 5.193 2.065 ( 0.000 7.084 -1.037) 7.160 3.058 ( 0.000 3.200 -9.399) 9.929 3.165 ( -0.000 7.733 8.919) 11.805 3.575 ( 0.000 11.326 3.159) 11.758 3.825 ( 0.000 7.402 0.063) 7.403 4.424 ( 0.000 24.569 0.010) 24.569 4.440 ( -0.000 -14.098 3.354) 14.492 5.038 ( -0.000 -15.197 -2.349) 15.377 5.161 ( -0.000 -2.515 1.048) 2.725 5.609 ( 0.000 -3.030 -3.264) 4.454 6.134 ( -0.000 -3.800 -0.421) 3.823 6.206 ( -0.000 -0.722 -0.439) 0.845 6.264 ( 0.000 5.072 0.965) 5.163 6.592 ( -0.000 4.888 6.140) 7.848 6.650 ( 0.000 0.605 -0.227) 0.646 6.757 ( 0.000 -3.331 -4.665) 5.732 7.007 ( -0.000 -5.195 -3.313) 6.162 7.495 ( 0.000 6.048 2.754) 6.645 8.653 ( -0.000 4.462 4.802) 6.555 9.172 ( -0.000 -0.096 2.257) 2.259 9.289 ( -0.000 4.951 6.279) 7.996 9.414 ( -0.000 -8.014 -3.825) 8.880 9.584 ( -0.000 -5.782 -1.978) 6.111 9.648 ( 0.000 -6.083 -5.158) 7.975 9.756 ( -0.000 3.040 6.095) 6.811 9.832 ( -0.000 -11.405 6.363) 13.060 10.361 ( 0.000 3.678 -1.801) 4.096 10.529 ( 0.000 7.104 2.240) 7.449 11.153 ( 0.000 45.055 -0.720) 45.060 11.491 ( 0.000 14.020 -3.420) 14.432 11.849 ( 0.000 28.341 -10.186) 30.116 12.187 ( 0.000 -5.573 -5.663) 7.945 13.391 ( -0.000 -8.151 2.331) 8.477 13.399 ( -0.000 -6.569 7.187) 9.737 13.818 ( 0.000 8.539 2.184) 8.814 14.756 ( 0.000 -13.567 -12.837) 18.678 15.154 ( -0.000 -30.650 10.984) 32.559 15.623 ( -0.000 -12.436 0.341) 12.441 16.501 ( -0.000 -21.752 -0.119) 21.752 16.967 ( 0.000 5.857 -1.824) 6.135 17.373 ( -0.000 -2.729 -0.024) 2.729 18.317 ( 0.000 12.956 -5.094) 13.922 18.862 ( 0.000 8.752 0.331) 8.758 19.151 ( 0.000 16.543 0.570) 16.553 20.243 ( 0.000 -1.265 -3.733) 3.941 20.786 ( 0.000 10.541 -11.604) 15.677 22.171 ( -0.000 -23.475 13.976) 27.321 ======================= Grid point 124 (48/85) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -1.162 -9.452 9.698) 13.592 1.143 ( 2.819 -1.991 0.508) 3.488 1.292 ( 1.637 6.581 0.008) 6.782 1.546 ( -2.309 -5.107 -1.280) 5.749 1.634 ( 0.830 0.355 -1.134) 1.450 1.762 ( -0.870 -0.421 -0.898) 1.319 1.891 ( -0.166 -2.459 0.899) 2.624 2.331 ( 24.494 -1.533 0.256) 24.543 3.003 ( -6.941 10.899 -8.258) 15.335 3.214 ( -4.775 5.041 0.460) 6.959 3.600 ( -7.086 3.649 9.003) 12.024 3.868 ( 0.748 -1.161 -1.529) 2.061 4.296 ( -7.422 -5.063 1.920) 9.187 4.703 ( 0.738 7.408 -1.138) 7.531 4.834 ( -1.228 -1.187 -2.013) 2.640 5.215 ( 6.691 0.428 0.267) 6.710 5.550 ( -1.290 0.426 -2.631) 2.961 6.007 ( -10.646 0.172 1.475) 10.749 6.162 ( 0.895 -5.614 -0.965) 5.766 6.431 ( 2.341 4.612 1.389) 5.355 6.574 ( 1.729 -4.195 -2.051) 4.980 6.674 ( 2.438 4.631 4.274) 6.757 6.817 ( 8.027 -4.092 -1.698) 9.169 6.987 ( 3.308 0.866 -1.303) 3.660 7.532 ( -2.691 2.245 2.200) 4.138 8.707 ( -2.690 5.392 4.705) 7.645 9.202 ( -10.252 -1.328 -4.850) 11.419 9.265 ( -6.018 -5.161 1.118) 8.007 9.354 ( 15.764 -0.717 0.555) 15.790 9.551 ( 4.384 -3.836 2.407) 6.304 9.647 ( 3.369 -6.846 -1.259) 7.733 9.730 ( 0.196 0.619 0.578) 0.869 9.900 ( 8.051 -4.230 0.655) 9.118 10.294 ( -8.271 0.167 0.412) 8.282 10.645 ( 3.938 8.731 3.234) 10.110 11.400 ( -11.012 34.761 -6.858) 37.103 11.654 ( 2.772 13.622 4.684) 14.669 12.054 ( 0.130 -5.767 -4.436) 7.277 12.304 ( 18.928 31.888 -5.174) 37.442 13.083 ( -17.513 -23.980 1.779) 29.747 13.450 ( 3.876 -5.218 5.159) 8.298 13.869 ( -3.163 5.686 -1.525) 6.683 14.543 ( -2.548 -8.472 -11.538) 14.540 15.000 ( 1.672 -16.086 12.927) 20.705 15.691 ( 16.743 -9.382 0.850) 19.212 16.325 ( 1.798 -18.339 -0.266) 18.429 16.875 ( -14.733 4.259 -2.128) 15.483 17.169 ( -19.433 -1.899 0.509) 19.532 18.523 ( 13.149 9.586 -2.330) 16.438 19.023 ( 10.195 4.274 -0.397) 11.062 19.271 ( -1.622 11.374 1.288) 11.561 20.240 ( 1.761 0.069 0.488) 1.829 20.802 ( -0.997 10.716 -11.926) 16.064 21.995 ( -5.955 -19.689 9.547) 22.677 ======================= Grid point 125 (49/85) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 9.017 -6.505 9.501) 14.625 1.162 ( 0.609 -0.075 0.071) 0.618 1.400 ( 3.591 5.905 2.280) 7.278 1.476 ( 0.384 -4.102 -1.027) 4.246 1.643 ( 0.856 0.628 -1.125) 1.547 1.756 ( 0.145 1.119 0.499) 1.234 1.863 ( -0.852 -1.540 -1.198) 2.129 2.685 ( 19.340 -1.791 -0.712) 19.436 2.951 ( -7.958 13.086 -6.363) 16.585 3.134 ( -5.693 -0.293 -3.208) 6.542 3.564 ( -4.980 -4.812 8.939) 11.308 3.854 ( 3.066 -1.052 -1.249) 3.473 4.147 ( -9.396 1.821 0.095) 9.571 4.488 ( -9.774 -12.836 0.229) 16.136 4.926 ( -1.528 5.737 -2.043) 6.279 5.412 ( 12.841 4.865 0.150) 13.733 5.588 ( 3.792 4.267 -1.106) 5.815 5.884 ( -7.525 4.246 1.621) 8.791 6.018 ( -7.200 -11.453 -1.464) 13.607 6.435 ( -2.226 1.563 0.286) 2.735 6.637 ( 4.827 -0.242 0.031) 4.833 6.833 ( 7.870 6.311 1.605) 10.215 6.899 ( 8.930 -4.427 -0.532) 9.981 7.078 ( 3.593 4.652 -0.466) 5.896 7.475 ( -5.341 -2.837 1.878) 6.332 8.727 ( -4.122 3.073 5.620) 7.617 9.008 ( -5.495 -1.721 -8.437) 10.215 9.105 ( -5.584 -6.231 0.055) 8.367 9.483 ( -2.878 -3.374 1.242) 4.606 9.601 ( -0.354 -2.351 3.915) 4.580 9.648 ( 5.889 -1.194 -1.337) 6.156 9.854 ( 7.357 8.127 -0.422) 10.970 10.001 ( 12.761 -6.539 -4.035) 14.895 10.159 ( -9.218 0.406 1.912) 9.423 10.868 ( 14.657 3.228 4.530) 15.677 11.496 ( -6.261 30.296 -6.662) 31.646 11.818 ( -1.378 4.864 4.896) 7.038 11.970 ( 2.489 0.344 -4.470) 5.128 12.494 ( -21.742 -30.021 2.242) 37.134 12.889 ( 19.250 20.412 -1.107) 28.079 13.465 ( 0.392 -7.271 4.590) 8.608 13.770 ( -10.989 0.040 -3.781) 11.622 14.442 ( 1.937 4.042 -7.254) 8.527 15.047 ( 6.335 -7.367 9.852) 13.837 15.945 ( 20.809 -2.606 1.195) 21.005 16.237 ( 3.464 -7.756 -0.883) 8.540 16.610 ( -18.496 2.859 -3.018) 18.957 16.810 ( -20.377 -6.219 1.365) 21.349 18.813 ( 12.747 8.242 -0.671) 15.194 19.157 ( 1.723 -0.507 -0.010) 1.796 19.363 ( 4.415 5.363 0.551) 6.968 20.311 ( 3.950 1.424 5.766) 7.133 20.798 ( -2.004 10.125 -11.629) 15.549 21.758 ( -8.905 -15.490 4.813) 18.504 ======================= Grid point 126 (50/85) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 2.104 -0.480 0.926) 2.348 1.166 ( 2.681 -0.892 -0.075) 2.826 1.445 ( 0.034 0.195 0.649) 0.678 1.508 ( 1.424 -0.488 -1.960) 2.471 1.721 ( 5.089 2.653 5.439) 7.907 1.804 ( 3.657 4.863 0.216) 6.088 1.829 ( 0.074 0.054 -3.050) 3.051 2.851 ( -4.476 -1.241 -1.680) 4.940 2.920 ( 1.748 15.650 -1.965) 15.869 2.996 ( -3.989 -12.946 -1.174) 13.597 3.453 ( -5.113 -8.166 3.503) 10.252 3.989 ( 5.768 8.040 0.096) 9.895 4.068 ( 1.943 -1.964 -0.314) 2.780 4.231 ( -8.641 -6.923 0.223) 11.075 4.898 ( -2.910 -1.712 -0.118) 3.379 5.593 ( 2.669 2.805 -0.813) 3.957 5.690 ( 1.140 2.105 3.286) 4.065 5.777 ( -4.627 -7.631 -3.899) 9.739 5.909 ( 4.341 6.490 1.022) 7.874 6.399 ( -2.819 -1.350 1.320) 3.393 6.684 ( 1.246 -0.205 -1.324) 1.830 6.906 ( -1.671 -1.313 -0.189) 2.133 7.094 ( 11.173 5.474 1.900) 12.586 7.153 ( 0.742 6.071 -1.934) 6.415 7.363 ( -3.606 -6.205 0.883) 7.231 8.677 ( -6.378 -4.819 6.256) 10.151 8.887 ( -0.278 -3.603 -10.228) 10.848 9.029 ( 0.388 0.519 -0.434) 0.780 9.405 ( -2.500 -1.899 0.924) 3.273 9.494 ( -4.878 -5.481 1.180) 7.432 9.751 ( -0.132 3.164 3.451) 4.684 9.987 ( -1.933 4.916 2.832) 5.994 10.049 ( -5.767 4.427 -0.974) 7.336 10.075 ( 6.635 -6.200 -2.846) 9.517 11.145 ( 10.667 2.857 -1.181) 11.106 11.687 ( -2.335 -4.898 3.040) 6.220 11.800 ( 6.395 22.292 -3.457) 23.448 11.931 ( -15.742 -22.991 1.281) 27.894 12.146 ( 12.096 9.542 -0.247) 15.409 13.216 ( 4.352 7.488 -1.698) 8.825 13.363 ( -4.932 -17.568 2.966) 18.487 13.516 ( -11.773 -0.165 -1.142) 11.830 14.583 ( 6.696 12.396 -0.524) 14.099 15.138 ( 5.752 -3.736 2.040) 7.156 16.261 ( 11.905 2.660 -1.400) 12.279 16.307 ( 0.393 0.885 0.005) 0.969 16.383 ( -2.823 13.199 -0.312) 13.501 16.462 ( -8.102 -16.306 -0.594) 18.217 19.029 ( 4.756 6.053 -0.453) 7.712 19.081 ( -5.307 -6.922 0.649) 8.747 19.492 ( 5.607 3.622 -1.412) 6.823 20.469 ( 6.732 2.569 10.564) 12.787 20.783 ( -1.863 9.024 -9.780) 13.436 21.499 ( -9.616 -12.433 1.103) 15.757 ======================= Grid point 127 (51/85) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -2.041 0.708 0.019) 2.160 1.214 ( 2.503 2.586 -2.846) 4.588 1.447 ( -1.140 0.315 -1.516) 1.923 1.478 ( -0.256 -2.991 0.487) 3.041 1.755 ( -1.922 -0.429 0.893) 2.163 1.838 ( 0.495 3.319 0.619) 3.412 2.020 ( 9.450 12.320 -4.317) 16.116 2.693 ( -9.341 -19.463 -0.004) 21.589 2.752 ( -3.086 -7.078 4.059) 8.723 3.173 ( 4.654 22.728 2.872) 23.377 3.295 ( -8.824 -6.754 -0.983) 11.155 3.962 ( -1.641 -8.623 -0.300) 8.783 4.088 ( -2.856 12.064 -0.674) 12.416 4.369 ( 21.191 -2.243 0.768) 21.323 4.773 ( -9.232 -7.341 0.848) 11.826 5.481 ( -10.811 -5.926 -0.714) 12.349 5.616 ( 1.020 -4.902 -0.002) 5.007 5.860 ( 1.532 13.937 0.063) 14.021 6.130 ( 13.089 5.235 0.274) 14.100 6.343 ( -2.908 -2.512 1.211) 4.029 6.644 ( -3.969 -1.572 -0.846) 4.352 6.813 ( -6.121 -3.349 0.476) 6.994 7.173 ( -0.388 3.117 -1.811) 3.626 7.262 ( -2.120 -0.158 -4.140) 4.655 7.316 ( 5.775 2.653 3.075) 7.060 8.542 ( -5.726 -7.633 2.186) 9.789 8.760 ( -4.547 -6.458 -2.872) 8.404 9.101 ( 5.951 2.058 -0.467) 6.314 9.404 ( -0.130 -0.355 -1.543) 1.588 9.433 ( 4.609 -2.730 3.465) 6.380 9.716 ( -7.193 -3.975 2.252) 8.521 9.843 ( -8.903 -8.669 -0.800) 12.452 9.991 ( -3.004 -1.055 6.216) 6.984 10.234 ( 6.644 11.956 -0.764) 13.699 11.225 ( -4.460 5.666 -3.891) 8.194 11.425 ( -11.814 -7.426 -3.143) 14.304 11.667 ( -10.187 4.355 0.874) 11.113 12.128 ( 9.419 5.996 0.922) 11.204 12.565 ( 25.185 9.082 -0.693) 26.782 12.933 ( -23.360 -8.875 -0.419) 24.992 13.242 ( -0.519 -2.823 -0.372) 2.895 13.502 ( 4.134 -4.286 4.106) 7.233 14.793 ( 5.864 8.919 3.307) 11.174 15.171 ( 4.161 -1.694 -8.460) 9.579 16.068 ( -10.935 -13.188 0.649) 17.144 16.289 ( 6.664 -14.018 -1.272) 15.573 16.496 ( 9.534 14.692 -1.985) 17.626 16.773 ( 15.600 19.225 0.861) 24.773 18.864 ( -11.478 -7.982 -0.923) 14.011 19.073 ( -1.159 -4.092 -0.276) 4.262 19.576 ( -0.227 7.703 -3.051) 8.289 20.644 ( 2.821 6.061 -2.536) 7.150 20.836 ( 5.273 4.692 4.990) 8.644 21.260 ( -6.497 -11.160 3.318) 13.333 ======================= Grid point 133 (52/85) ======================= q-point: ( 0.56 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -0.000 -10.611 15.016) 18.387 1.108 ( 0.000 0.711 0.015) 0.711 1.365 ( 0.000 7.578 3.852) 8.501 1.523 ( -0.000 -5.835 1.369) 5.994 1.615 ( 0.000 1.094 -2.596) 2.817 1.760 ( 0.000 0.095 -2.100) 2.102 1.884 ( -0.000 -2.370 2.009) 3.107 2.106 ( -0.000 0.174 1.432) 1.442 3.102 ( 0.000 14.836 -11.993) 19.077 3.267 ( -0.000 -2.449 -1.227) 2.740 3.695 ( -0.000 -8.914 7.507) 11.654 3.854 ( -0.000 0.035 0.793) 0.793 4.391 ( 0.000 6.530 -0.158) 6.532 4.729 ( -0.000 -12.272 -3.071) 12.650 4.800 ( 0.000 13.130 -5.055) 14.070 5.142 ( -0.000 -1.757 1.627) 2.394 5.575 ( 0.000 2.681 -1.805) 3.232 6.056 ( -0.000 -2.593 0.439) 2.630 6.218 ( -0.000 -0.098 2.345) 2.347 6.378 ( 0.000 6.569 -0.362) 6.579 6.555 ( -0.000 -8.470 -0.175) 8.472 6.627 ( 0.000 -2.465 -2.211) 3.311 6.786 ( -0.000 3.514 5.605) 6.616 6.954 ( -0.000 1.134 1.205) 1.654 7.583 ( -0.000 0.577 1.080) 1.224 8.807 ( -0.000 3.840 5.298) 6.543 9.154 ( 0.000 -1.401 -3.777) 4.029 9.242 ( 0.000 -3.911 -4.140) 5.695 9.361 ( 0.000 -0.225 -0.864) 0.892 9.457 ( 0.000 -1.070 -7.211) 7.290 9.544 ( 0.000 -0.957 -1.410) 1.704 9.625 ( -0.000 -9.063 1.209) 9.143 9.889 ( -0.000 -1.389 4.021) 4.254 10.412 ( -0.000 1.973 4.022) 4.480 10.638 ( -0.000 1.087 0.956) 1.448 11.721 ( 0.000 9.045 3.945) 9.868 11.898 ( 0.000 29.362 0.485) 29.366 11.972 ( 0.000 -3.679 -4.373) 5.715 12.339 ( 0.000 25.203 -5.067) 25.708 13.139 ( -0.000 -16.371 -0.163) 16.372 13.280 ( -0.000 -11.590 4.447) 12.414 13.916 ( 0.000 3.086 -5.463) 6.274 14.422 ( 0.000 -4.590 -9.984) 10.988 14.950 ( -0.000 -12.263 19.213) 22.793 15.513 ( -0.000 -0.543 -0.363) 0.654 16.150 ( -0.000 -12.998 0.069) 12.998 17.031 ( 0.000 3.153 -1.403) 3.451 17.344 ( -0.000 -0.691 0.069) 0.694 18.450 ( 0.000 6.069 -0.851) 6.129 18.971 ( 0.000 2.889 -0.270) 2.902 19.383 ( 0.000 6.051 2.796) 6.666 20.248 ( -0.000 1.332 4.369) 4.568 20.835 ( 0.000 11.497 -12.453) 16.949 21.911 ( -0.000 -17.782 4.440) 18.328 ======================= Grid point 134 (53/85) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 0.027 -4.589 15.731) 16.387 1.137 ( 2.082 -0.140 0.051) 2.088 1.433 ( -0.605 -1.118 5.684) 5.825 1.494 ( -1.892 4.431 2.615) 5.482 1.622 ( 1.334 0.793 -1.542) 2.188 1.753 ( 0.999 0.974 -2.288) 2.680 1.864 ( -1.074 -1.733 1.058) 2.297 2.326 ( 21.415 1.154 1.921) 21.532 3.108 ( -5.966 8.840 -13.188) 16.960 3.192 ( -2.802 -0.028 -2.721) 3.906 3.578 ( -4.510 -16.408 4.807) 17.683 3.852 ( -1.338 2.207 1.517) 2.994 4.342 ( -9.217 -0.386 -0.524) 9.240 4.552 ( -9.222 1.037 -2.351) 9.574 4.915 ( 5.281 1.148 -5.891) 7.995 5.227 ( 10.606 -0.801 1.146) 10.698 5.582 ( 0.235 2.419 -0.269) 2.445 6.028 ( -4.664 -2.012 1.342) 5.254 6.108 ( -9.786 2.009 0.954) 10.035 6.449 ( -1.165 -3.413 -2.660) 4.481 6.538 ( 6.707 3.515 1.179) 7.663 6.682 ( 10.106 -4.616 -1.333) 11.190 6.846 ( 0.779 4.179 6.852) 8.063 7.041 ( 5.172 2.640 2.761) 6.430 7.546 ( -4.042 -2.372 0.390) 4.703 8.834 ( -2.700 -2.340 6.680) 7.575 9.080 ( -11.568 -1.108 -12.179) 16.834 9.157 ( -3.963 -0.229 -2.288) 4.582 9.336 ( 16.252 -0.020 -2.500) 16.443 9.497 ( 0.994 -1.967 -0.825) 2.353 9.539 ( 2.933 -3.830 -1.110) 4.950 9.723 ( 14.408 3.860 -5.703) 15.969 9.872 ( -0.820 -4.043 3.184) 5.211 10.349 ( -10.212 1.241 4.678) 11.301 10.734 ( 8.610 -1.725 2.856) 9.234 11.739 ( -4.284 -0.604 1.764) 4.672 11.944 ( -6.016 5.536 -4.863) 9.513 11.967 ( -1.726 3.525 3.041) 4.965 12.670 ( 16.253 5.350 -1.260) 17.157 12.752 ( -22.844 -2.952 2.234) 23.142 13.361 ( 6.627 -5.568 1.044) 8.719 13.849 ( -4.192 -1.017 -8.161) 9.231 14.403 ( 4.013 8.317 -6.059) 11.045 15.017 ( 1.597 -4.298 18.722) 19.275 15.635 ( 14.880 -0.964 0.284) 14.914 16.119 ( 3.733 0.429 0.181) 3.762 16.908 ( -15.548 1.747 -1.510) 15.719 17.155 ( -20.713 -0.491 0.420) 20.724 18.627 ( 14.002 2.880 0.665) 14.310 19.053 ( 7.690 -0.027 -0.863) 7.738 19.416 ( -1.988 0.418 4.374) 4.823 20.323 ( 2.317 2.397 8.127) 8.784 20.849 ( -1.508 11.311 -12.614) 17.009 21.738 ( -4.372 -14.454 -0.754) 15.120 ======================= Grid point 135 (54/85) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 3.975 -0.842 8.261) 9.206 1.158 ( 0.971 -0.183 0.505) 1.110 1.432 ( 0.597 -2.141 2.477) 3.329 1.524 ( -2.055 1.981 -0.095) 2.856 1.696 ( 4.536 2.946 6.429) 8.402 1.785 ( 2.765 2.018 -2.923) 4.501 1.851 ( -0.690 3.027 2.337) 3.886 2.723 ( 20.866 4.514 0.219) 21.349 2.943 ( -4.719 -0.968 -11.632) 12.590 3.075 ( -13.456 -4.821 -0.067) 14.294 3.387 ( 0.486 -14.492 0.389) 14.505 3.910 ( 3.567 5.665 1.380) 6.835 4.149 ( -8.742 -7.122 0.135) 11.276 4.438 ( -12.037 12.604 -2.120) 17.557 4.889 ( -0.326 -6.384 -3.678) 7.375 5.421 ( 13.045 -4.034 0.988) 13.690 5.654 ( 6.013 3.086 0.826) 6.809 5.822 ( -11.858 -7.012 -0.236) 13.778 6.072 ( -6.030 12.040 0.895) 13.495 6.396 ( -0.306 -3.217 -2.588) 4.140 6.633 ( 3.519 -1.582 1.211) 4.044 6.797 ( 8.619 -4.929 -0.536) 9.943 7.015 ( 7.750 6.194 5.651) 11.418 7.158 ( 3.931 3.039 2.027) 5.366 7.428 ( -6.961 -3.295 -0.154) 7.703 8.730 ( -6.460 -10.340 0.664) 12.211 8.859 ( -5.065 -1.412 -5.187) 7.386 9.099 ( -4.793 5.378 -0.407) 7.215 9.426 ( -1.743 -0.945 -1.447) 2.454 9.513 ( -2.376 -1.773 -1.622) 3.379 9.650 ( 16.782 -0.220 -4.579) 17.397 9.851 ( 3.432 -8.287 0.781) 9.003 9.970 ( 12.205 8.354 -4.927) 15.589 10.213 ( -10.535 -0.821 2.380) 10.832 10.922 ( 15.381 -2.559 8.035) 17.542 11.667 ( 0.997 -7.194 -0.771) 7.304 11.723 ( -7.101 -23.191 0.395) 24.257 12.035 ( -1.749 11.744 -0.259) 11.876 12.494 ( -20.276 26.846 2.484) 33.734 12.925 ( 18.356 -15.843 0.441) 24.251 13.331 ( -2.152 -5.957 -1.168) 6.441 13.674 ( -8.657 -1.518 -8.100) 11.952 14.597 ( 6.634 15.144 -1.752) 16.626 15.120 ( -0.040 -0.329 13.684) 13.688 15.939 ( 20.670 1.121 1.754) 20.775 16.267 ( 5.858 10.278 0.771) 11.855 16.632 ( -16.788 1.524 -1.621) 16.935 16.766 ( -25.275 1.969 -0.113) 25.352 18.852 ( 11.835 -4.543 1.076) 12.723 19.132 ( 0.932 -0.968 -1.010) 1.681 19.435 ( 3.738 -1.241 5.061) 6.413 20.469 ( 5.031 3.129 10.789) 12.309 20.836 ( -2.344 10.291 -12.231) 16.155 21.508 ( -6.943 -11.739 -4.646) 14.408 ======================= Grid point 143 (55/85) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -0.000 -1.399 11.992) 12.073 1.109 ( -0.000 -0.972 0.228) 0.998 1.447 ( -0.000 -5.627 7.059) 9.027 1.596 ( 0.000 1.026 -3.381) 3.533 1.625 ( -0.000 7.249 8.635) 11.274 1.725 ( 0.000 0.139 -4.327) 4.330 1.877 ( -0.000 -0.201 3.685) 3.691 2.164 ( -0.000 2.180 2.853) 3.590 3.066 ( 0.000 -9.865 -10.185) 14.179 3.232 ( 0.000 12.042 -10.319) 15.859 3.523 ( -0.000 -13.292 5.067) 14.225 3.891 ( -0.000 1.614 1.867) 2.468 4.350 ( -0.000 -7.948 -2.126) 8.228 4.722 ( -0.000 -11.887 -8.690) 14.724 4.770 ( 0.000 16.401 -1.292) 16.452 5.130 ( -0.000 -1.341 1.576) 2.069 5.601 ( 0.000 2.032 -0.483) 2.089 6.082 ( 0.000 3.350 2.116) 3.962 6.259 ( -0.000 0.347 4.071) 4.085 6.335 ( -0.000 -6.338 -2.572) 6.840 6.530 ( 0.000 -3.973 -3.930) 5.589 6.571 ( 0.000 5.672 0.653) 5.710 6.915 ( -0.000 0.680 8.290) 8.317 7.053 ( -0.000 5.015 5.414) 7.380 7.544 ( -0.000 -4.833 -0.694) 4.883 8.850 ( -0.000 -9.069 8.214) 12.235 9.014 ( 0.000 -3.252 -10.701) 11.184 9.185 ( 0.000 4.769 -10.545) 11.574 9.305 ( -0.000 -4.484 -0.822) 4.559 9.412 ( 0.000 9.446 -8.270) 12.555 9.526 ( -0.000 -1.888 -0.269) 1.907 9.572 ( 0.000 6.358 -0.878) 6.419 9.849 ( -0.000 -6.387 1.650) 6.596 10.522 ( -0.000 0.467 7.730) 7.744 10.603 ( -0.000 -4.115 -0.118) 4.117 11.712 ( -0.000 -10.209 0.787) 10.239 11.905 ( -0.000 -29.516 0.794) 29.526 12.067 ( 0.000 12.500 2.140) 12.682 12.485 ( -0.000 -5.652 0.091) 5.653 13.091 ( 0.000 12.772 -2.635) 13.041 13.246 ( -0.000 0.612 2.700) 2.769 13.797 ( 0.000 -3.737 -10.010) 10.684 14.455 ( 0.000 19.575 -2.338) 19.714 15.133 ( -0.000 1.383 22.050) 22.094 15.496 ( 0.000 -0.295 -0.922) 0.969 16.155 ( 0.000 13.096 0.277) 13.098 17.044 ( -0.000 -0.456 -0.242) 0.516 17.346 ( 0.000 0.717 0.117) 0.727 18.527 ( -0.000 1.251 2.589) 2.875 18.960 ( -0.000 -3.298 -0.726) 3.377 19.445 ( -0.000 -5.691 7.001) 9.022 20.387 ( -0.000 3.020 10.003) 10.449 20.884 ( 0.000 11.384 -13.402) 17.584 21.629 ( -0.000 -11.328 -6.774) 13.199 ======================= Grid point 144 (56/85) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.669 -2.591 3.127) 4.115 1.146 ( 1.844 -0.525 4.503) 4.894 1.436 ( -0.809 -3.560 6.496) 7.451 1.565 ( -2.206 0.238 -2.363) 3.242 1.703 ( 1.023 -0.997 1.081) 1.791 1.732 ( 2.990 1.715 -1.130) 3.627 1.936 ( -0.264 6.944 9.314) 11.621 2.386 ( 21.171 -0.065 0.789) 21.186 2.882 ( -1.822 -7.771 -12.125) 14.516 3.247 ( 0.195 1.693 -6.003) 6.241 3.302 ( -16.781 -11.866 2.905) 20.756 3.943 ( 2.086 3.990 1.935) 4.901 4.223 ( -7.075 -1.716 -1.903) 7.525 4.585 ( 6.675 -14.465 -6.686) 17.277 4.820 ( -8.378 10.074 -1.945) 13.246 5.228 ( 8.812 -0.045 1.321) 8.910 5.631 ( 1.324 4.179 0.570) 4.421 5.992 ( -14.017 -2.708 1.104) 14.319 6.226 ( 0.101 6.891 1.991) 7.174 6.348 ( -0.110 -3.348 -2.641) 4.266 6.565 ( 7.438 -5.824 -0.902) 9.490 6.616 ( 4.294 1.682 0.256) 4.619 7.004 ( 4.016 1.458 7.136) 8.317 7.159 ( 1.999 4.843 5.122) 7.327 7.461 ( -2.820 -6.254 -0.969) 6.928 8.746 ( -6.821 -10.847 1.299) 12.879 8.891 ( -5.488 -5.995 -5.482) 9.804 9.145 ( 6.745 2.454 -10.457) 12.683 9.323 ( 5.801 1.350 0.013) 5.956 9.493 ( -0.917 2.039 -1.508) 2.697 9.523 ( 2.285 9.164 -5.069) 10.719 9.750 ( 6.402 -2.341 -2.318) 7.200 9.806 ( 6.601 2.755 -0.143) 7.154 10.390 ( -11.277 -2.128 2.447) 11.734 10.729 ( 11.082 -5.731 7.218) 14.414 11.511 ( -4.195 -30.797 -0.342) 31.083 11.634 ( -0.920 -14.581 0.782) 14.631 12.184 ( -1.659 11.666 2.740) 12.097 12.517 ( 11.806 -15.545 2.820) 19.723 13.030 ( -14.909 17.533 -0.647) 23.024 13.287 ( 0.901 -3.012 -2.408) 3.960 13.671 ( -2.733 -4.462 -9.115) 10.510 14.682 ( 0.382 22.798 -0.023) 22.801 15.280 ( -2.548 5.412 19.008) 19.927 15.681 ( 18.483 8.659 1.673) 20.480 16.339 ( 3.000 18.778 0.442) 19.021 16.901 ( -15.103 -1.549 0.285) 15.185 17.164 ( -21.093 1.333 0.102) 21.135 18.643 ( 9.686 -3.705 2.907) 10.770 19.005 ( 9.485 -3.769 -1.090) 10.265 19.415 ( -0.398 -9.927 10.774) 14.655 20.505 ( 2.740 3.239 10.933) 11.727 20.882 ( -1.767 10.438 -14.386) 17.861 21.448 ( -3.803 -8.322 -11.678) 14.836 ======================= Grid point 153 (57/85) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -0.000 -4.701 -0.383) 4.717 1.130 ( -0.000 -4.925 1.890) 5.275 1.462 ( -0.000 -4.631 9.437) 10.512 1.570 ( 0.000 0.966 -3.417) 3.551 1.641 ( 0.000 -1.932 -6.040) 6.341 1.722 ( -0.000 -2.054 1.492) 2.539 2.094 ( -0.000 8.386 11.443) 14.187 2.160 ( -0.000 -8.130 1.537) 8.274 2.738 ( 0.000 -8.404 -9.242) 12.492 3.189 ( 0.000 -0.874 -8.075) 8.122 3.481 ( -0.000 -0.176 4.718) 4.722 3.861 ( -0.000 -17.011 0.927) 17.036 4.266 ( -0.000 -14.396 -6.725) 15.889 4.319 ( 0.000 10.362 -2.405) 10.637 5.051 ( 0.000 14.898 -1.642) 14.988 5.156 ( 0.000 2.296 1.439) 2.710 5.674 ( 0.000 5.632 0.133) 5.633 6.190 ( -0.000 3.232 3.114) 4.488 6.194 ( -0.000 -5.270 -2.443) 5.809 6.333 ( -0.000 0.031 1.369) 1.369 6.397 ( -0.000 -3.578 0.032) 3.578 6.605 ( 0.000 -1.060 -1.707) 2.010 7.023 ( -0.000 0.546 7.073) 7.094 7.230 ( -0.000 4.445 4.867) 6.592 7.403 ( -0.000 -8.404 -1.203) 8.490 8.746 ( -0.000 -12.674 8.897) 15.485 8.781 ( 0.000 -5.550 -12.155) 13.362 9.034 ( 0.000 -1.060 -18.785) 18.815 9.219 ( -0.000 -3.171 -0.345) 3.189 9.513 ( 0.000 5.886 -2.139) 6.263 9.610 ( 0.000 10.861 -0.894) 10.898 9.736 ( 0.000 11.228 0.007) 11.228 9.765 ( -0.000 -0.897 0.491) 1.023 10.530 ( -0.000 -4.336 1.566) 4.610 10.555 ( -0.000 -10.228 5.963) 11.839 11.201 ( -0.000 -39.701 1.475) 39.728 11.531 ( -0.000 -9.137 0.023) 9.137 12.317 ( -0.000 5.977 5.729) 8.279 12.343 ( -0.000 -6.412 2.904) 7.039 13.216 ( 0.000 4.100 -7.089) 8.190 13.225 ( -0.000 -3.857 -0.301) 3.869 13.590 ( 0.000 -6.890 -5.615) 8.889 15.017 ( 0.000 35.581 4.245) 35.833 15.501 ( -0.000 8.216 19.777) 21.416 15.586 ( 0.000 12.800 -1.118) 12.849 16.505 ( 0.000 21.520 0.092) 21.520 17.013 ( -0.000 -3.442 1.154) 3.630 17.376 ( 0.000 2.622 0.060) 2.622 18.560 ( -0.000 -2.851 4.551) 5.371 18.836 ( -0.000 -8.942 -0.801) 8.978 19.388 ( -0.000 -15.963 17.952) 24.022 20.580 ( -0.000 2.949 10.465) 10.873 20.890 ( 0.000 9.378 -16.693) 19.147 21.326 ( 0.000 -3.839 -18.996) 19.380 ======================= Grid point 184 (58/85) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -0.000 0.000 11.495) 11.495 0.744 ( -0.000 0.000 11.495) 11.495 1.485 ( -0.000 0.000 24.263) 24.263 1.512 ( 0.000 0.000 0.119) 0.119 1.512 ( 0.000 0.000 0.119) 0.119 1.571 ( -0.000 0.000 0.456) 0.456 1.571 ( -0.000 0.000 0.456) 0.456 1.679 ( -0.000 0.000 2.490) 2.490 2.813 ( 0.000 -0.000 -4.442) 4.442 2.813 ( 0.000 -0.000 -4.442) 4.442 2.970 ( -0.000 0.000 12.791) 12.791 3.562 ( 0.000 -0.000 -11.445) 11.445 4.416 ( 0.000 -0.000 -3.132) 3.132 5.339 ( 0.000 -0.000 -0.274) 0.274 5.339 ( 0.000 -0.000 -0.274) 0.274 5.588 ( -0.000 0.000 2.491) 2.491 5.588 ( -0.000 0.000 2.491) 2.491 5.963 ( -0.000 0.000 8.170) 8.170 6.228 ( 0.000 -0.000 -2.198) 2.198 6.228 ( 0.000 -0.000 -2.198) 2.198 6.535 ( 0.000 -0.000 -4.040) 4.040 6.535 ( 0.000 -0.000 -4.040) 4.040 6.947 ( -0.000 0.000 5.433) 5.433 7.144 ( 0.000 -0.000 -2.311) 2.311 7.144 ( 0.000 -0.000 -2.311) 2.311 8.654 ( -0.000 0.000 13.062) 13.062 8.654 ( -0.000 0.000 13.062) 13.062 9.064 ( 0.000 -0.000 -0.982) 0.982 9.226 ( -0.000 0.000 0.367) 0.367 9.226 ( -0.000 0.000 0.367) 0.367 9.680 ( -0.000 0.000 2.261) 2.261 10.059 ( 0.000 -0.000 -3.630) 3.630 10.303 ( -0.000 0.000 3.858) 3.858 10.308 ( 0.000 -0.000 -9.505) 9.505 10.308 ( 0.000 -0.000 -9.505) 9.505 10.358 ( 0.000 -0.000 -0.990) 0.990 10.358 ( -0.000 -0.000 -0.990) 0.990 11.246 ( 0.000 -0.000 -0.968) 0.968 12.538 ( 0.000 -0.000 -6.096) 6.096 13.163 ( -0.000 0.000 0.025) 0.025 13.370 ( -0.000 0.000 13.497) 13.497 13.370 ( -0.000 0.000 13.497) 13.497 15.971 ( 0.000 -0.000 -6.025) 6.025 16.330 ( 0.000 0.000 -0.071) 0.071 16.330 ( 0.000 -0.000 -0.071) 0.071 16.802 ( -0.000 0.000 0.146) 0.146 17.153 ( 0.000 -0.000 -0.160) 0.160 17.153 ( 0.000 -0.000 -0.160) 0.160 17.765 ( 0.000 -0.000 -0.021) 0.021 18.220 ( -0.000 0.000 1.039) 1.039 18.220 ( -0.000 0.000 1.039) 1.039 20.567 ( 0.000 -0.000 -9.720) 9.720 20.567 ( 0.000 -0.000 -9.720) 9.720 23.185 ( -0.000 0.000 3.294) 3.294 ======================= Grid point 185 (59/85) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 1.614 0.932 1.225) 2.230 0.991 ( 10.415 6.013 2.864) 12.362 1.497 ( -2.060 -1.189 -2.116) 3.183 1.511 ( -2.715 -1.568 8.238) 8.815 1.603 ( 3.120 1.802 1.250) 3.814 1.721 ( 8.387 4.842 2.880) 10.103 1.813 ( 15.708 9.069 8.487) 20.026 1.893 ( 19.755 11.405 5.093) 23.373 2.625 ( -4.995 -2.884 -5.260) 7.806 2.980 ( 8.147 4.704 -0.350) 9.414 3.038 ( 1.282 0.740 13.267) 13.349 3.438 ( -4.169 -2.407 -10.632) 11.671 4.320 ( -6.343 -3.662 -2.287) 7.673 5.159 ( -13.511 -7.800 1.343) 15.659 5.310 ( -2.910 -1.680 -0.930) 3.486 5.508 ( -9.753 -5.631 1.824) 11.409 5.636 ( 2.571 1.484 1.312) 3.245 6.035 ( 0.872 0.503 3.298) 3.449 6.213 ( -0.607 -0.351 -1.012) 1.231 6.297 ( 5.702 3.292 -0.099) 6.584 6.358 ( -5.414 -3.126 -2.118) 6.600 6.599 ( 5.775 3.334 -3.505) 7.534 7.078 ( -5.102 -2.946 -2.652) 6.461 7.085 ( 6.872 3.968 3.691) 8.752 7.154 ( 2.578 1.489 -1.971) 3.570 8.672 ( -2.402 -1.387 13.571) 13.852 8.747 ( -5.231 -3.020 12.928) 14.269 9.181 ( 1.528 0.882 0.025) 1.765 9.246 ( 5.794 3.345 5.916) 8.931 9.405 ( 24.876 14.362 -0.100) 28.724 9.627 ( -7.317 -4.224 0.604) 8.470 9.945 ( -3.550 -2.050 0.102) 4.100 10.113 ( -8.000 -4.619 -5.212) 10.606 10.209 ( -5.475 -3.161 4.019) 7.491 10.421 ( 5.314 3.068 -0.323) 6.145 10.507 ( 8.547 4.934 -5.573) 11.334 10.655 ( 25.706 14.841 -23.459) 37.834 11.292 ( 5.461 3.153 -0.851) 6.363 12.468 ( -2.605 -1.504 -6.592) 7.246 13.220 ( 4.555 2.630 0.895) 5.336 13.393 ( -2.447 -1.413 12.419) 12.737 13.526 ( 2.982 1.722 13.196) 13.638 15.569 ( -21.677 -12.515 -6.924) 25.971 16.194 ( -11.821 -6.825 0.037) 13.650 16.503 ( -0.305 -0.176 1.619) 1.657 16.586 ( -10.311 -5.953 -2.379) 12.142 17.082 ( -6.503 -3.755 -0.186) 7.512 17.475 ( 23.865 13.778 -4.683) 27.952 17.628 ( -9.411 -5.434 0.085) 10.868 18.384 ( 11.600 6.697 0.899) 13.424 18.458 ( 19.575 11.302 0.013) 22.604 20.456 ( -1.203 -0.695 -10.374) 10.467 20.577 ( 3.503 2.022 -9.723) 10.531 22.956 ( -21.337 -12.319 11.035) 26.996 ======================= Grid point 186 (60/85) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 4.867 2.810 -1.678) 5.865 1.168 ( 6.864 3.963 -1.431) 8.054 1.441 ( -2.178 -1.257 -0.612) 2.588 1.513 ( -1.013 -0.585 4.641) 4.786 1.643 ( 1.118 0.645 0.300) 1.325 1.858 ( 3.314 1.913 1.369) 4.064 2.160 ( 9.982 5.763 3.654) 12.092 2.282 ( 10.457 6.037 -3.786) 12.655 2.556 ( -0.468 -0.270 -0.204) 0.577 3.081 ( -1.877 -1.084 15.582) 15.732 3.340 ( 3.717 2.146 -6.971) 8.187 3.374 ( 24.621 14.215 -0.996) 28.447 4.175 ( -4.948 -2.857 -0.188) 5.717 4.848 ( -16.428 -9.485 2.526) 19.137 5.230 ( -15.508 -8.953 0.480) 17.913 5.231 ( -2.925 -1.689 -1.275) 3.610 5.638 ( -2.788 -1.610 -1.810) 3.693 6.082 ( 2.388 1.378 0.776) 2.864 6.176 ( -0.643 -0.371 1.921) 2.060 6.370 ( 1.932 1.116 -1.598) 2.744 6.386 ( 5.774 3.334 0.795) 6.715 6.749 ( 6.134 3.541 0.023) 7.083 6.919 ( -4.805 -2.774 -5.437) 7.768 7.127 ( -0.240 -0.139 -2.916) 2.929 7.318 ( 8.793 5.076 3.345) 10.690 8.670 ( -7.412 -4.279 12.823) 15.417 8.718 ( -1.738 -1.003 13.670) 13.816 9.188 ( 0.256 0.148 0.372) 0.475 9.339 ( -5.048 -2.914 -6.228) 8.530 9.545 ( 1.307 0.755 7.204) 7.361 9.881 ( -5.752 -3.321 -3.812) 7.658 9.928 ( 0.538 0.310 3.306) 3.364 10.079 ( -8.136 -4.697 4.699) 10.504 10.140 ( 34.092 19.683 0.429) 39.369 10.534 ( 5.073 2.929 0.660) 5.895 10.661 ( 11.128 6.425 -6.643) 14.465 10.995 ( 19.902 11.491 -20.623) 30.878 11.489 ( 14.309 8.261 -3.238) 16.837 12.351 ( -4.274 -2.468 -6.600) 8.241 13.324 ( 0.846 0.489 8.527) 8.583 13.433 ( 1.490 0.860 4.168) 4.509 13.638 ( 0.029 0.017 9.267) 9.267 15.089 ( -17.922 -10.347 -10.686) 23.291 15.874 ( -16.883 -9.747 0.554) 19.503 16.076 ( -23.609 -13.631 2.099) 27.342 16.699 ( 7.528 4.346 -0.674) 8.718 16.860 ( -14.390 -8.308 -0.121) 16.616 17.458 ( -5.859 -3.383 0.037) 6.765 17.922 ( 19.762 11.410 -4.670) 23.292 18.638 ( 10.952 6.323 0.838) 12.674 18.926 ( 23.141 13.361 -2.489) 26.837 20.385 ( 0.529 0.305 -9.506) 9.526 20.590 ( 3.533 2.040 -9.923) 10.729 22.541 ( -24.627 -14.218 16.123) 32.689 ======================= Grid point 187 (61/85) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 6.817 3.936 0.499) 7.888 1.280 ( 4.435 2.561 -1.526) 5.344 1.407 ( -1.289 -0.744 2.361) 2.791 1.526 ( -0.161 -0.093 3.259) 3.265 1.658 ( 0.594 0.343 -1.561) 1.705 1.889 ( 0.395 0.228 -3.007) 3.042 2.254 ( -1.181 -0.682 -0.724) 1.545 2.316 ( -0.150 -0.086 -11.497) 11.498 2.563 ( 2.960 1.709 0.999) 3.561 3.093 ( -5.909 -3.411 13.101) 14.771 3.577 ( 17.866 10.315 -0.355) 20.633 3.790 ( 8.460 4.885 0.015) 9.769 4.234 ( 11.959 6.905 3.516) 14.250 4.514 ( -15.702 -9.065 2.553) 18.310 4.902 ( -15.339 -8.856 0.456) 17.718 5.201 ( 0.800 0.462 -0.910) 1.297 5.548 ( -2.635 -1.521 -2.299) 3.813 6.124 ( 1.294 0.747 -1.131) 1.875 6.221 ( 2.665 1.539 2.523) 3.979 6.381 ( 0.453 0.261 -2.741) 2.790 6.522 ( 4.712 2.721 2.261) 5.892 6.671 ( -7.503 -4.332 0.505) 8.679 6.980 ( 8.111 4.683 -6.217) 11.241 7.086 ( -0.813 -0.469 -4.491) 4.588 7.496 ( 5.296 3.058 3.204) 6.904 8.648 ( -2.351 -1.357 14.246) 14.502 8.761 ( -2.342 -1.352 12.960) 13.239 9.161 ( -4.766 -2.752 -6.576) 8.574 9.218 ( 2.540 1.466 0.813) 3.043 9.526 ( -5.653 -3.264 -0.348) 6.537 9.692 ( -8.359 -4.826 -1.787) 9.816 9.842 ( -9.666 -5.581 3.109) 11.587 10.061 ( 1.623 0.937 0.250) 1.891 10.616 ( 8.879 5.126 -5.878) 11.818 10.630 ( 2.744 1.584 1.372) 3.453 11.172 ( 39.134 22.594 -1.296) 45.207 11.308 ( 17.794 10.273 -3.117) 20.781 11.823 ( 18.374 10.608 -4.818) 21.757 12.215 ( -3.957 -2.285 -6.677) 8.091 13.312 ( -8.587 -4.958 10.331) 14.320 13.491 ( 1.361 0.786 2.183) 2.690 13.614 ( -6.196 -3.578 2.832) 7.695 14.687 ( -12.603 -7.276 -12.242) 19.017 15.569 ( -10.371 -5.988 1.075) 12.024 15.666 ( -14.833 -8.564 2.029) 17.247 16.499 ( -18.384 -10.614 -0.118) 21.229 16.852 ( 6.684 3.859 0.771) 7.757 17.376 ( -2.261 -1.305 -0.043) 2.611 18.244 ( 12.860 7.425 -2.209) 15.013 18.839 ( 7.200 4.157 0.820) 8.354 19.349 ( 17.853 10.308 -3.823) 20.967 20.360 ( 1.981 1.144 -6.277) 6.681 20.599 ( 3.329 1.922 -10.230) 10.929 22.141 ( -22.385 -12.924 15.149) 29.960 ======================= Grid point 188 (62/85) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 3.236 1.868 0.137) 3.739 1.319 ( 0.231 0.133 -3.180) 3.191 1.430 ( 1.022 0.590 5.955) 6.071 1.554 ( 0.833 0.481 3.515) 3.644 1.646 ( -0.368 -0.212 -3.262) 3.290 1.849 ( -1.361 -0.786 -5.236) 5.467 2.188 ( -2.367 -1.367 0.507) 2.780 2.198 ( -1.012 -0.585 -17.836) 17.874 2.748 ( 12.487 7.209 2.120) 14.574 3.001 ( -9.611 -5.549 11.316) 15.849 3.830 ( -1.786 -1.031 -0.026) 2.063 3.860 ( 1.648 0.952 1.186) 2.242 4.354 ( 4.313 2.490 1.775) 5.287 4.509 ( 6.374 3.680 7.175) 10.278 4.601 ( -12.296 -7.099 2.453) 14.409 5.213 ( -0.052 -0.030 -1.734) 1.736 5.542 ( 2.492 1.438 -0.749) 2.973 6.125 ( 0.579 0.334 -3.043) 3.116 6.290 ( 1.202 0.694 3.400) 3.672 6.359 ( -0.506 -0.292 -2.731) 2.793 6.554 ( -3.952 -2.282 0.136) 4.565 6.575 ( 0.120 0.070 -0.491) 0.511 7.071 ( 4.008 2.314 -6.573) 8.039 7.075 ( 3.269 1.887 -4.686) 6.017 7.568 ( -0.263 -0.152 2.658) 2.675 8.740 ( 0.825 0.476 16.685) 16.712 8.783 ( -2.975 -1.717 11.925) 12.410 9.111 ( 4.540 2.621 -6.734) 8.534 9.300 ( 3.711 2.143 0.842) 4.367 9.351 ( -8.737 -5.044 -2.468) 10.386 9.529 ( -5.526 -3.190 0.251) 6.386 9.657 ( -8.284 -4.783 0.406) 9.574 10.022 ( -4.010 -2.315 -3.730) 5.946 10.653 ( -0.910 -0.525 0.304) 1.094 10.687 ( 3.270 1.888 -7.414) 8.320 11.652 ( 9.928 5.732 8.257) 14.128 11.931 ( 26.546 15.326 -0.946) 30.667 12.020 ( 1.304 0.753 -7.797) 7.941 12.268 ( 13.673 7.894 -0.314) 15.792 13.071 ( -15.399 -8.890 3.674) 18.156 13.446 ( -7.925 -4.576 -2.384) 9.457 13.532 ( -0.710 -0.410 10.130) 10.163 14.436 ( -2.318 -1.338 -11.702) 12.004 15.483 ( 0.213 0.123 0.801) 0.838 15.488 ( -2.610 -1.507 -2.377) 3.838 16.157 ( -10.918 -6.304 -0.213) 12.609 16.979 ( 4.368 2.522 1.300) 5.209 17.348 ( -0.568 -0.328 -0.082) 0.661 18.450 ( 7.545 4.356 -0.385) 8.721 18.946 ( 2.310 1.334 0.809) 2.787 19.610 ( 9.309 5.374 -6.366) 12.493 20.401 ( 3.859 2.228 1.577) 4.727 20.600 ( 2.989 1.726 -10.495) 11.048 21.788 ( -18.907 -10.916 11.683) 24.761 ======================= Grid point 189 (63/85) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -0.978 -0.565 -0.753) 1.358 1.249 ( -3.430 -1.981 -6.483) 7.598 1.508 ( 2.095 1.210 5.760) 6.247 1.569 ( -1.425 -0.823 -3.772) 4.115 1.623 ( -0.298 -0.172 3.464) 3.481 1.780 ( -1.959 -1.131 -4.198) 4.769 2.089 ( 2.434 1.405 -18.316) 18.530 2.194 ( 1.683 0.972 0.237) 1.958 2.858 ( -9.858 -5.692 10.751) 15.657 3.049 ( 10.449 6.033 7.678) 14.301 3.614 ( -10.493 -6.058 -4.190) 12.820 3.912 ( 2.521 1.456 -0.080) 2.912 4.307 ( -7.518 -4.341 2.092) 8.930 4.539 ( -9.677 -5.587 9.454) 14.637 4.727 ( 15.697 9.063 3.073) 18.384 5.172 ( -1.791 -1.034 -2.562) 3.293 5.591 ( 2.400 1.386 0.397) 2.800 6.139 ( 3.060 1.767 -3.656) 5.085 6.277 ( -4.194 -2.421 3.235) 5.824 6.338 ( 0.305 0.176 -2.858) 2.879 6.476 ( -3.990 -2.304 0.591) 4.645 6.587 ( 1.799 1.039 -0.802) 2.227 7.070 ( 0.377 0.218 -7.174) 7.187 7.152 ( 5.873 3.391 -4.663) 8.230 7.526 ( -4.720 -2.725 1.540) 5.663 8.791 ( -3.424 -1.977 11.677) 12.328 8.864 ( -0.391 -0.226 18.408) 18.414 9.073 ( -6.454 -3.726 -12.577) 14.619 9.296 ( -3.985 -2.301 0.264) 4.610 9.326 ( 9.833 5.677 1.901) 11.512 9.523 ( -3.316 -1.914 0.020) 3.829 9.549 ( 6.549 3.781 1.296) 7.672 9.879 ( -6.812 -3.933 -1.737) 8.055 10.609 ( -2.903 -1.676 -0.559) 3.398 10.673 ( -0.216 -0.125 -7.475) 7.479 11.694 ( -7.111 -4.105 2.908) 8.711 11.923 ( -26.087 -15.062 -1.012) 30.140 12.121 ( 10.859 6.270 -3.423) 12.998 12.454 ( 0.334 0.193 2.938) 2.964 13.029 ( 9.087 5.246 3.732) 11.136 13.307 ( -3.536 -2.042 -3.384) 5.303 13.593 ( -0.282 -0.163 10.305) 10.310 14.519 ( 17.425 10.060 -8.719) 21.928 15.475 ( 4.403 2.542 -11.248) 12.344 15.480 ( -0.569 -0.329 0.715) 0.971 16.160 ( 11.271 6.507 -0.233) 13.017 17.041 ( 0.711 0.410 0.465) 0.944 17.348 ( 0.600 0.346 -0.088) 0.698 18.562 ( 3.178 1.835 -0.572) 3.714 18.945 ( -2.886 -1.666 0.802) 3.428 19.641 ( -1.179 -0.681 -12.469) 12.543 20.570 ( 7.648 4.416 14.986) 17.395 20.592 ( 2.683 1.549 -10.586) 11.030 21.491 ( -14.934 -8.622 8.670) 19.301 ======================= Grid point 194 (64/85) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.000 7.264 -1.871) 7.501 0.935 ( 0.000 5.533 3.004) 6.296 1.463 ( -0.000 -5.160 0.873) 5.234 1.549 ( 0.000 7.730 -2.484) 8.119 1.610 ( -0.000 2.441 5.626) 6.133 1.638 ( 0.000 1.350 -0.572) 1.467 1.805 ( -0.000 2.334 13.878) 14.073 2.134 ( 0.000 38.611 7.732) 39.378 2.502 ( -0.000 -15.711 -6.198) 16.889 2.983 ( 0.000 13.539 -4.699) 14.331 3.173 ( -0.000 4.285 15.817) 16.387 3.368 ( 0.000 -5.169 -9.884) 11.154 4.316 ( -0.000 -5.455 -2.141) 5.860 5.154 ( -0.000 -18.127 1.069) 18.159 5.288 ( -0.000 -3.627 -0.428) 3.653 5.520 ( -0.000 -8.892 1.960) 9.105 5.668 ( 0.000 3.360 0.511) 3.398 6.127 ( 0.000 4.687 2.642) 5.380 6.201 ( 0.000 -0.865 -1.515) 1.745 6.239 ( 0.000 4.369 -0.424) 4.390 6.368 ( -0.000 -5.428 -1.490) 5.629 6.517 ( 0.000 1.574 -2.990) 3.379 7.060 ( -0.000 -6.403 -1.873) 6.671 7.129 ( 0.000 7.121 2.074) 7.416 7.136 ( 0.000 3.867 -0.389) 3.887 8.702 ( -0.000 -8.553 13.205) 15.733 8.948 ( -0.000 7.226 14.326) 16.046 9.185 ( 0.000 2.186 -0.040) 2.186 9.289 ( 0.000 8.253 4.597) 9.447 9.379 ( 0.000 25.863 -0.580) 25.870 9.689 ( -0.000 -3.061 1.732) 3.517 9.913 ( -0.000 -8.243 -1.316) 8.348 10.058 ( 0.000 -7.704 -8.677) 11.604 10.212 ( -0.000 -1.452 0.039) 1.452 10.310 ( 0.000 -0.822 -0.741) 1.107 10.405 ( 0.000 5.157 -3.728) 6.363 10.675 ( 0.000 28.554 -15.774) 32.621 11.284 ( 0.000 5.461 -0.513) 5.485 12.423 ( 0.000 -3.115 -6.904) 7.575 13.229 ( 0.000 6.835 0.181) 6.837 13.479 ( -0.000 -3.517 13.298) 13.755 13.607 ( -0.000 2.909 12.300) 12.640 15.549 ( -0.000 -25.224 -5.392) 25.793 16.218 ( -0.000 -12.168 -0.025) 12.168 16.268 ( -0.000 -20.039 2.336) 20.175 16.756 ( 0.000 3.011 -2.465) 3.892 17.089 ( -0.000 -7.218 -0.214) 7.221 17.475 ( 0.000 30.112 -4.679) 30.474 17.629 ( -0.000 -10.842 0.071) 10.843 18.398 ( 0.000 13.790 0.809) 13.814 18.419 ( 0.000 17.340 1.154) 17.378 20.374 ( 0.000 -3.332 -9.134) 9.723 20.535 ( 0.000 6.480 -10.454) 12.299 23.018 ( -0.000 -20.993 8.441) 22.627 ======================= Grid point 195 (65/85) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -2.734 6.426 -0.448) 6.997 1.085 ( 7.200 4.974 -2.298) 9.048 1.409 ( -0.208 -5.631 1.367) 5.798 1.566 ( -1.241 1.839 -1.458) 2.655 1.643 ( 0.087 0.806 0.225) 0.841 1.801 ( 5.428 2.100 2.124) 6.196 1.979 ( 10.680 3.016 5.635) 12.446 2.389 ( 10.174 -12.838 3.243) 16.699 2.500 ( -5.216 31.035 -0.141) 31.471 3.108 ( 2.373 1.318 -7.222) 7.716 3.268 ( 0.645 4.315 11.350) 12.159 3.369 ( 6.381 17.691 -1.704) 18.883 4.221 ( -3.917 -3.437 -0.936) 5.294 4.918 ( -7.746 -18.667 2.116) 20.320 5.235 ( -1.891 -4.092 -0.742) 4.569 5.363 ( -9.447 -11.003 0.335) 14.507 5.647 ( -2.739 -1.444 -1.770) 3.567 6.128 ( -4.670 -2.076 1.110) 5.230 6.165 ( 0.057 3.003 1.021) 3.173 6.288 ( 5.266 -0.279 -1.216) 5.412 6.407 ( 1.889 6.291 1.417) 6.719 6.627 ( 10.170 5.085 -2.929) 11.742 6.951 ( -4.085 -7.337 -2.033) 8.640 7.103 ( -0.905 -1.741 -2.139) 2.903 7.288 ( 4.568 8.712 3.120) 10.320 8.698 ( -0.865 -8.650 12.141) 14.933 9.015 ( -9.854 8.533 13.721) 18.926 9.294 ( 6.081 -0.204 -1.528) 6.274 9.341 ( -6.311 11.800 -0.055) 13.381 9.568 ( -2.848 -3.508 3.228) 5.553 9.807 ( 13.936 11.622 -0.330) 18.149 9.848 ( 5.092 5.130 -0.120) 7.229 10.003 ( 1.066 -1.402 -5.090) 5.386 10.145 ( -4.350 -8.096 3.651) 9.889 10.329 ( 5.952 -3.488 -1.515) 7.063 10.551 ( 10.135 10.151 -4.050) 14.905 10.891 ( 7.820 30.259 -17.724) 35.929 11.399 ( 6.805 9.729 -0.630) 11.890 12.328 ( -2.135 -4.210 -6.551) 8.075 13.335 ( 3.706 7.634 1.228) 8.575 13.501 ( -3.008 -3.839 11.442) 12.438 13.698 ( -0.105 0.738 8.398) 8.432 15.166 ( -13.354 -19.522 -6.777) 24.605 15.827 ( -11.793 -27.615 2.603) 30.141 16.358 ( 11.853 -16.253 2.121) 20.228 16.600 ( -16.582 5.774 -3.274) 17.861 16.980 ( -5.547 -7.710 -0.234) 9.501 17.384 ( -6.451 -11.141 -0.059) 12.874 17.890 ( 11.416 25.090 -4.416) 27.916 18.627 ( 5.484 17.206 0.759) 18.074 18.697 ( 16.541 13.295 -0.251) 21.223 20.304 ( 1.131 -2.103 -6.857) 7.261 20.537 ( 0.775 6.866 -10.825) 12.842 22.762 ( -12.857 -21.901 10.958) 27.659 ======================= Grid point 196 (66/85) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 3.904 6.359 2.248) 7.793 1.217 ( 5.650 3.802 -1.783) 7.039 1.383 ( 2.022 -5.387 2.725) 6.366 1.558 ( -0.620 1.396 -0.668) 1.667 1.646 ( 0.059 -0.081 -1.052) 1.056 1.832 ( 1.668 -3.255 -2.736) 4.567 2.052 ( 4.348 -8.182 -4.723) 10.399 2.518 ( -13.346 12.407 4.675) 18.812 2.622 ( 6.165 9.071 -2.488) 11.246 3.084 ( 10.421 -7.622 -1.642) 13.015 3.403 ( 2.596 4.696 10.817) 12.074 3.757 ( 9.273 16.326 -1.953) 18.877 4.228 ( 5.303 12.694 1.659) 13.857 4.621 ( -10.513 -15.967 1.628) 19.186 5.036 ( -13.488 -13.207 1.072) 18.908 5.207 ( -0.735 0.974 -1.327) 1.803 5.563 ( -3.040 -2.309 -2.449) 4.536 6.055 ( 2.114 -8.423 1.096) 8.753 6.205 ( -2.312 5.375 0.304) 5.859 6.395 ( 7.578 0.074 -1.257) 7.682 6.496 ( -1.008 7.011 2.192) 7.414 6.750 ( -1.262 -3.941 0.574) 4.177 6.866 ( 5.115 6.011 -5.767) 9.775 7.053 ( -0.583 -3.277 -2.553) 4.195 7.452 ( 5.458 4.243 2.787) 7.453 8.686 ( -0.223 -6.900 11.723) 13.605 9.028 ( -9.613 8.967 13.422) 18.788 9.174 ( -7.174 -2.477 -6.701) 10.124 9.363 ( -6.477 13.893 0.579) 15.340 9.544 ( -3.367 -6.372 1.713) 7.408 9.773 ( -3.744 -2.740 -0.927) 4.731 9.925 ( -6.296 -7.629 1.783) 10.051 10.052 ( -0.573 0.920 -0.327) 1.132 10.370 ( 11.116 -0.833 -1.292) 11.221 10.458 ( 37.871 2.502 -6.242) 38.464 10.763 ( 4.033 12.238 -2.133) 13.060 11.289 ( 14.307 28.895 -3.117) 32.393 11.698 ( 15.587 21.809 -3.699) 27.061 12.200 ( -3.487 -4.840 -6.153) 8.570 13.421 ( -6.340 -10.797 4.420) 13.278 13.474 ( 2.447 3.409 7.471) 8.569 13.703 ( -3.976 -0.120 2.460) 4.677 14.748 ( -13.369 -13.081 -7.625) 20.198 15.463 ( -5.133 -22.669 3.214) 23.464 16.123 ( -26.280 4.511 -1.165) 26.690 16.573 ( 9.048 -13.675 -0.426) 16.403 16.756 ( -10.696 -5.060 0.572) 11.846 17.238 ( 3.585 -15.681 0.216) 16.087 18.237 ( 7.608 21.544 -2.375) 22.971 18.847 ( 2.949 13.941 1.168) 14.297 19.104 ( 20.340 9.351 -2.907) 22.575 20.291 ( 2.777 -0.639 -2.673) 3.907 20.543 ( 0.796 6.726 -11.071) 12.979 22.397 ( -17.174 -19.325 10.949) 28.076 ======================= Grid point 197 (67/85) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 3.224 4.451 1.609) 5.727 1.285 ( 1.702 -0.623 -1.461) 2.327 1.420 ( 3.211 -2.181 4.840) 6.204 1.575 ( 1.942 2.559 -1.121) 3.403 1.626 ( -0.610 -1.221 -2.370) 2.735 1.789 ( 1.257 -2.501 -8.071) 8.543 1.996 ( 3.380 -8.678 -6.373) 11.284 2.396 ( -14.132 11.127 1.321) 18.035 2.731 ( 2.362 9.993 -1.642) 10.399 3.153 ( -1.407 -3.261 5.859) 6.851 3.645 ( 15.126 -2.239 5.194) 16.149 3.851 ( 0.948 -0.129 -0.316) 1.008 4.330 ( -5.365 -11.734 1.439) 12.982 4.575 ( 4.678 18.090 3.542) 19.018 4.719 ( -10.691 -11.647 2.446) 15.998 5.245 ( 0.207 6.424 -1.251) 6.548 5.516 ( 0.885 1.254 -1.255) 1.982 6.054 ( 6.971 -8.501 -0.413) 11.002 6.178 ( -2.547 -1.645 -1.773) 3.512 6.448 ( 0.608 -8.598 2.216) 8.900 6.515 ( -2.247 10.595 -1.374) 10.918 6.725 ( -4.578 5.916 1.498) 7.629 6.953 ( 3.738 0.802 -6.918) 7.905 7.036 ( 3.164 2.576 -3.020) 5.076 7.551 ( 2.857 -1.163 2.084) 3.723 8.735 ( 3.646 -5.779 12.657) 14.383 9.017 ( -1.374 1.126 -2.196) 2.825 9.068 ( -8.514 7.120 7.176) 13.216 9.375 ( -7.405 -1.455 -1.177) 7.638 9.433 ( -4.101 9.348 3.287) 10.724 9.647 ( -9.071 0.305 -0.689) 9.103 9.738 ( -7.595 -7.110 0.131) 10.405 10.024 ( -2.152 -1.349 -3.558) 4.372 10.429 ( 8.258 -8.848 -3.445) 12.584 10.828 ( -2.620 13.207 -5.591) 14.579 11.216 ( 44.874 1.392 1.651) 44.925 11.694 ( 11.005 10.267 4.958) 15.846 12.051 ( -2.861 -0.870 -7.004) 7.616 12.250 ( 16.422 34.044 -1.400) 37.824 13.118 ( -11.276 -25.001 0.513) 27.431 13.548 ( -4.655 -1.793 7.686) 9.162 13.618 ( -4.973 0.986 1.990) 5.447 14.439 ( -7.684 -5.226 -6.832) 11.534 15.319 ( 3.003 -9.487 0.310) 9.956 15.796 ( -19.382 11.065 -3.544) 22.598 16.326 ( -16.531 -7.569 -0.418) 18.187 16.784 ( 13.529 -11.413 1.515) 17.765 17.185 ( 7.533 -16.677 0.022) 18.299 18.493 ( 2.810 18.110 -0.686) 18.340 18.984 ( -0.021 9.129 1.284) 9.219 19.425 ( 14.225 4.284 -5.351) 15.790 20.357 ( 5.268 0.883 4.044) 6.699 20.544 ( 0.665 6.445 -10.672) 12.485 22.021 ( -17.093 -15.953 8.452) 24.861 ======================= Grid point 198 (68/85) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -0.631 1.297 -0.129) 1.448 1.234 ( -2.349 -2.094 -7.276) 7.927 1.475 ( 2.652 -2.544 2.896) 4.679 1.575 ( -1.085 -1.543 -3.676) 4.132 1.654 ( 2.229 4.506 2.414) 5.577 1.741 ( 0.714 0.629 -8.767) 8.818 1.933 ( 2.335 -3.523 -8.095) 9.132 2.349 ( -8.231 16.278 0.549) 18.249 2.885 ( 5.694 -2.419 8.582) 10.579 3.122 ( -2.757 5.079 4.313) 7.211 3.621 ( -8.478 -16.583 -0.002) 18.624 3.875 ( 3.274 0.519 -0.496) 3.352 4.331 ( 2.528 -7.372 0.539) 7.812 4.490 ( 5.411 -6.210 3.924) 9.124 4.781 ( -3.187 7.730 7.195) 11.031 5.257 ( -5.408 7.953 -1.913) 9.806 5.576 ( 1.994 2.588 0.205) 3.273 6.072 ( 0.017 -6.067 -3.241) 6.878 6.126 ( 8.401 -7.795 -0.587) 11.476 6.389 ( -2.210 -3.290 3.140) 5.057 6.570 ( -0.283 7.289 -2.021) 7.569 6.666 ( -9.749 6.821 0.407) 11.906 6.991 ( 4.785 2.064 -7.748) 9.337 7.098 ( 2.167 4.602 -2.965) 5.888 7.546 ( -0.953 -4.696 0.815) 4.861 8.813 ( 2.527 -9.232 14.038) 16.991 9.011 ( 0.581 -2.444 -9.535) 9.860 9.069 ( -4.036 6.130 6.866) 10.050 9.255 ( -2.901 2.664 4.495) 5.976 9.479 ( -6.815 7.152 0.693) 9.904 9.517 ( -4.924 -1.670 1.200) 5.336 9.639 ( -2.715 8.998 2.324) 9.681 9.922 ( -5.005 -3.675 -2.237) 6.600 10.432 ( 5.802 -10.227 -3.308) 12.215 10.823 ( -6.721 10.765 -6.140) 14.098 11.767 ( -4.656 -6.960 0.672) 8.401 11.819 ( 20.901 -1.313 5.643) 21.689 12.056 ( 2.938 -0.005 -5.362) 6.114 12.647 ( -6.270 20.343 1.158) 21.318 12.788 ( 9.259 -19.605 -1.330) 21.722 13.383 ( -9.501 -0.748 -0.918) 9.574 13.650 ( 0.337 -3.298 11.450) 11.920 14.385 ( 5.429 8.157 -4.250) 10.681 15.305 ( 3.991 -3.045 -8.749) 10.087 15.671 ( -10.705 14.238 -3.975) 18.252 16.123 ( -1.228 3.484 -0.222) 3.701 16.883 ( 11.135 -12.805 0.966) 16.997 17.161 ( 9.566 -17.941 -0.189) 20.333 18.641 ( -2.656 14.136 -0.679) 14.399 19.032 ( -3.417 5.926 1.243) 6.953 19.542 ( 3.911 -1.131 -8.557) 9.476 20.497 ( 4.400 2.633 -3.837) 6.404 20.591 ( 5.721 5.953 6.620) 10.583 21.679 ( -14.604 -12.595 5.900) 20.167 ======================= Grid point 204 (69/85) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 8.934 -0.173) 8.936 1.018 ( 0.000 4.097 -1.819) 4.483 1.376 ( -0.000 -7.044 3.107) 7.699 1.573 ( 0.000 2.686 -4.470) 5.215 1.648 ( 0.000 0.875 -1.143) 1.440 1.874 ( 0.000 11.947 5.584) 13.188 1.928 ( -0.000 -2.711 8.191) 8.628 2.111 ( -0.000 -17.821 -3.390) 18.140 2.930 ( 0.000 29.571 7.723) 30.562 3.043 ( 0.000 -3.167 -8.852) 9.401 3.297 ( 0.000 13.652 -3.553) 14.107 3.525 ( 0.000 17.384 7.010) 18.744 4.218 ( 0.000 -0.965 -1.351) 1.661 4.807 ( -0.000 -20.634 2.814) 20.825 5.217 ( -0.000 -3.270 -0.050) 3.270 5.303 ( -0.000 -14.844 -1.151) 14.888 5.655 ( 0.000 -3.228 -2.712) 4.216 6.161 ( 0.000 0.120 -0.515) 0.529 6.200 ( 0.000 2.191 0.572) 2.265 6.229 ( -0.000 -1.871 -0.064) 1.872 6.484 ( 0.000 9.488 4.435) 10.473 6.561 ( 0.000 6.325 -2.704) 6.879 6.877 ( -0.000 -10.109 -1.401) 10.206 7.083 ( -0.000 -3.665 -1.665) 4.026 7.364 ( 0.000 9.884 2.468) 10.187 8.713 ( -0.000 -5.809 10.805) 12.267 9.188 ( -0.000 -0.559 0.449) 0.717 9.239 ( -0.000 5.891 9.451) 11.136 9.439 ( 0.000 1.219 -7.704) 7.800 9.691 ( -0.000 -3.117 4.740) 5.673 9.699 ( 0.000 -1.297 -7.391) 7.504 9.777 ( -0.000 -2.946 5.482) 6.223 10.107 ( -0.000 -12.883 3.588) 13.374 10.124 ( 0.000 27.470 0.884) 27.484 10.382 ( 0.000 10.051 0.147) 10.052 10.490 ( 0.000 15.398 -3.334) 15.755 10.984 ( 0.000 29.535 -16.909) 34.032 11.443 ( 0.000 12.267 0.405) 12.274 12.262 ( 0.000 -5.325 -5.750) 7.837 13.387 ( 0.000 8.056 0.700) 8.086 13.561 ( -0.000 -4.948 10.632) 11.727 13.751 ( -0.000 0.667 4.549) 4.597 15.029 ( -0.000 -22.528 -6.234) 23.375 15.806 ( -0.000 -32.136 7.291) 32.953 15.924 ( -0.000 -18.137 -0.222) 18.138 16.826 ( 0.000 7.247 -3.141) 7.898 16.867 ( -0.000 -16.739 -0.241) 16.741 17.458 ( -0.000 -6.932 0.025) 6.932 17.933 ( 0.000 24.722 -5.192) 25.261 18.661 ( 0.000 13.017 0.347) 13.021 18.803 ( 0.000 21.062 1.671) 21.128 20.244 ( 0.000 -1.315 -3.527) 3.764 20.533 ( 0.000 8.350 -11.403) 14.133 22.706 ( -0.000 -24.708 9.009) 26.299 ======================= Grid point 205 (70/85) ======================= q-point: ( 0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -1.580 5.918 3.021) 6.830 1.158 ( 5.343 6.814 -0.883) 8.704 1.320 ( -0.273 -8.553 5.085) 9.954 1.558 ( -0.890 1.218 -4.253) 4.513 1.639 ( -0.345 -0.506 -1.163) 1.314 1.814 ( -4.199 -4.338 1.433) 6.205 1.956 ( -0.113 -4.532 -0.709) 4.589 2.335 ( 27.096 0.725 4.729) 27.515 2.903 ( -7.583 -3.283 -4.814) 9.563 3.008 ( -11.849 17.940 -1.651) 21.563 3.502 ( 2.843 7.526 6.327) 10.235 3.771 ( 5.151 15.088 -1.430) 16.007 4.278 ( 5.197 15.734 -0.592) 16.580 4.600 ( -5.297 -17.831 2.304) 18.743 5.072 ( -7.482 -15.348 -0.194) 17.076 5.211 ( 0.268 -1.177 -1.461) 1.895 5.564 ( -2.736 -3.196 -2.699) 4.998 6.049 ( -8.220 -3.743 1.249) 9.118 6.240 ( 7.043 -2.580 -1.367) 7.625 6.326 ( -0.365 7.201 1.572) 7.380 6.561 ( 2.733 6.435 1.139) 7.083 6.675 ( 2.217 -0.608 1.007) 2.510 6.813 ( 4.524 -1.030 -1.906) 5.016 7.022 ( -0.934 -4.286 -1.070) 4.515 7.467 ( 0.925 6.567 2.071) 6.948 8.722 ( -1.731 -3.244 9.526) 10.211 9.197 ( -8.561 -2.323 -6.813) 11.185 9.287 ( 1.189 2.957 3.884) 5.024 9.408 ( 8.180 -1.388 -0.202) 8.300 9.614 ( -3.628 -0.102 -0.421) 3.654 9.684 ( 5.746 -5.489 0.972) 8.005 9.883 ( 3.654 -6.537 2.931) 8.043 9.994 ( 1.362 -8.314 -1.280) 8.521 10.296 ( -1.946 0.871 0.820) 2.284 10.341 ( -8.562 27.334 1.175) 28.668 10.804 ( 5.094 19.957 -3.417) 20.878 11.314 ( 13.759 30.380 -4.697) 33.680 11.665 ( 11.692 23.259 -1.680) 26.086 12.159 ( -2.065 -6.096 -4.798) 8.028 13.422 ( -4.229 -7.342 1.455) 8.597 13.544 ( -1.302 -2.178 8.172) 8.557 13.763 ( -1.432 2.197 -0.829) 2.750 14.732 ( -7.238 -17.715 -6.095) 20.084 15.409 ( -10.083 -21.805 6.357) 24.850 16.012 ( 20.050 -21.807 2.426) 29.722 16.615 ( -13.736 -6.249 -1.789) 15.197 16.808 ( -3.929 -4.324 -1.911) 6.147 17.232 ( -15.454 -5.194 0.411) 16.308 18.247 ( 12.474 18.383 -2.963) 22.412 18.892 ( 13.833 9.719 -1.002) 16.936 18.998 ( -0.685 18.410 2.113) 18.544 20.243 ( 1.852 0.131 0.788) 2.017 20.538 ( -0.043 8.761 -11.705) 14.621 22.461 ( -8.414 -23.401 7.348) 25.930 ======================= Grid point 206 (71/85) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 2.311 4.448 2.852) 5.767 1.250 ( 0.439 -2.286 0.860) 2.482 1.346 ( 7.098 -1.232 6.372) 9.618 1.509 ( -0.518 -0.944 -6.567) 6.654 1.620 ( -0.219 -0.221 -1.548) 1.579 1.752 ( -0.954 -1.067 -0.047) 1.432 1.905 ( -0.772 -3.828 -1.029) 4.038 2.719 ( 1.166 0.996 -2.084) 2.588 2.744 ( 0.960 6.474 1.362) 6.685 3.014 ( 3.196 7.324 -2.819) 8.474 3.603 ( 0.152 3.766 6.277) 7.322 3.836 ( -0.103 0.481 -1.586) 1.660 4.319 ( -8.009 -15.766 2.067) 17.804 4.657 ( 9.660 20.212 -0.287) 22.404 4.777 ( -10.964 -14.443 -0.023) 18.133 5.264 ( 4.724 7.452 -0.411) 8.833 5.524 ( 0.431 1.170 -1.584) 2.016 5.914 ( -2.549 -6.033 0.669) 6.584 6.216 ( -4.577 -8.543 -1.182) 9.764 6.379 ( 1.792 3.796 0.803) 4.274 6.641 ( -2.668 1.451 1.558) 3.413 6.719 ( 8.021 4.762 -0.771) 9.360 6.950 ( 5.973 6.528 -1.501) 8.974 6.971 ( -1.053 -2.177 -0.989) 2.613 7.522 ( 0.301 0.015 1.597) 1.625 8.736 ( -0.446 -1.246 8.378) 8.482 8.993 ( -5.061 -3.054 -8.185) 10.096 9.250 ( -5.576 -5.767 2.256) 8.333 9.515 ( -1.516 1.555 5.714) 6.113 9.602 ( -1.396 9.175 -1.507) 9.402 9.720 ( -0.084 -6.488 3.329) 7.292 9.778 ( -4.090 -4.267 -1.145) 6.021 10.034 ( 3.924 0.614 -4.584) 6.065 10.215 ( 0.768 -6.240 -0.860) 6.346 10.705 ( 21.969 21.013 4.163) 30.684 10.949 ( -0.969 14.700 -6.491) 16.099 11.677 ( 7.980 13.292 3.910) 15.989 12.024 ( -3.405 -6.803 -4.360) 8.768 12.277 ( 22.619 39.708 -1.415) 45.720 13.077 ( -15.318 -27.926 0.395) 31.854 13.601 ( 1.547 -2.386 8.120) 8.603 13.723 ( -5.465 2.380 -4.045) 7.204 14.455 ( -6.136 -9.081 -4.341) 11.789 15.226 ( -0.610 -8.628 3.703) 9.409 16.090 ( 2.189 -8.236 0.840) 8.563 16.353 ( -6.286 -5.886 -2.082) 8.860 16.639 ( -7.918 -7.570 -0.271) 10.958 16.977 ( -5.861 -11.710 0.433) 13.102 18.570 ( 9.096 16.570 -0.899) 18.924 19.109 ( -0.441 8.523 1.660) 8.694 19.210 ( 12.638 8.650 -2.196) 15.471 20.320 ( 4.314 1.650 5.576) 7.241 20.543 ( -0.079 8.535 -10.883) 13.831 22.131 ( -12.082 -20.136 4.647) 23.938 ======================= Grid point 207 (72/85) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -0.176 1.675 0.181) 1.694 1.199 ( -1.801 -3.515 -4.277) 5.822 1.444 ( 1.127 -0.788 2.222) 2.613 1.500 ( 3.613 0.914 -6.105) 7.152 1.639 ( 2.696 4.525 -1.883) 5.594 1.749 ( -0.896 2.138 1.231) 2.625 1.856 ( 0.318 -3.684 -1.148) 3.872 2.662 ( -8.077 13.596 2.307) 15.982 2.845 ( 2.889 2.705 1.633) 4.281 3.122 ( 4.376 -3.717 -0.725) 5.787 3.626 ( -3.962 -7.156 2.953) 8.697 3.849 ( 0.633 3.144 -0.964) 3.349 4.148 ( 5.120 -7.832 0.121) 9.357 4.477 ( -8.890 -14.437 1.404) 17.013 4.876 ( 2.313 5.401 2.745) 6.484 5.419 ( -1.641 12.627 -0.629) 12.749 5.579 ( 2.895 6.238 -0.093) 6.878 5.907 ( 8.605 -4.809 -0.600) 9.876 6.011 ( -5.844 -13.129 -1.088) 14.412 6.416 ( -0.796 0.236 2.306) 2.451 6.645 ( -1.244 3.937 -1.021) 4.253 6.852 ( -1.067 6.595 0.096) 6.681 6.929 ( -0.823 6.336 -3.936) 7.504 7.080 ( 4.574 3.943 -0.643) 6.073 7.496 ( -0.241 -6.201 0.136) 6.208 8.793 ( 1.540 -2.934 10.011) 10.545 8.890 ( 1.252 -3.467 -8.561) 9.321 9.101 ( -3.591 -7.607 0.482) 8.426 9.471 ( -5.634 -1.509 3.322) 6.712 9.586 ( -5.850 -0.634 3.477) 6.835 9.671 ( -6.990 5.169 -0.655) 8.718 9.789 ( 1.322 12.211 3.292) 12.716 9.985 ( -7.888 2.792 -1.382) 8.481 10.217 ( 7.873 -8.760 -3.732) 12.355 10.980 ( -5.328 12.305 -6.738) 15.006 11.384 ( 34.386 13.035 4.800) 37.086 11.839 ( -4.671 -4.709 4.534) 8.034 11.956 ( 7.487 6.557 -4.969) 11.124 12.533 ( -11.912 -34.089 -1.476) 36.140 12.877 ( 8.294 28.217 -0.067) 29.411 13.539 ( -12.332 -3.095 -2.737) 13.006 13.647 ( 2.203 -7.623 8.447) 11.589 14.379 ( 2.492 5.693 -1.052) 6.303 15.195 ( 0.684 -2.775 -4.011) 4.925 15.991 ( -12.778 16.215 -3.660) 20.967 16.227 ( -6.540 -1.821 -0.094) 6.790 16.554 ( 10.624 -14.395 2.480) 18.062 16.828 ( 5.069 -20.729 -0.498) 21.346 18.808 ( 1.517 15.625 -0.203) 15.700 19.140 ( -2.786 3.100 1.624) 4.473 19.408 ( 7.191 2.923 -4.082) 8.770 20.449 ( 3.412 4.306 -1.488) 5.692 20.593 ( 4.647 6.337 2.383) 8.212 21.787 ( -12.143 -16.347 2.061) 20.468 ======================= Grid point 214 (73/85) ======================= q-point: ( 0.56 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 3.685 -1.674) 4.047 1.222 ( 0.000 9.991 3.641) 10.634 1.293 ( -0.000 -9.640 11.122) 14.718 1.560 ( 0.000 2.321 -4.560) 5.117 1.628 ( -0.000 -2.444 -0.264) 2.458 1.817 ( -0.000 -9.753 -0.472) 9.764 1.956 ( -0.000 -3.287 4.948) 5.941 2.088 ( 0.000 4.619 3.332) 5.695 2.867 ( 0.000 1.039 -10.391) 10.443 3.282 ( -0.000 2.609 3.101) 4.052 3.601 ( 0.000 18.655 -0.161) 18.656 3.832 ( 0.000 5.845 0.155) 5.847 4.384 ( 0.000 23.057 -3.810) 23.369 4.499 ( -0.000 -16.087 2.608) 16.297 4.983 ( -0.000 -16.128 -3.108) 16.425 5.177 ( -0.000 -1.337 0.646) 1.484 5.548 ( 0.000 -2.486 -2.626) 3.616 6.120 ( -0.000 -3.132 -0.791) 3.230 6.238 ( -0.000 -0.052 3.239) 3.239 6.273 ( 0.000 4.676 -0.092) 4.677 6.627 ( 0.000 2.022 -2.091) 2.909 6.697 ( -0.000 -6.988 -0.930) 7.049 6.717 ( 0.000 7.997 6.032) 10.017 6.984 ( -0.000 -4.393 0.556) 4.429 7.537 ( 0.000 5.735 1.334) 5.888 8.786 ( -0.000 0.616 8.355) 8.378 9.162 ( 0.000 -1.728 -2.920) 3.393 9.260 ( 0.000 -3.530 -11.581) 12.107 9.334 ( 0.000 1.125 -4.075) 4.228 9.542 ( -0.000 -9.299 -1.761) 9.465 9.587 ( -0.000 -3.376 1.120) 3.557 9.856 ( -0.000 -11.681 4.179) 12.407 9.933 ( -0.000 -1.805 3.929) 4.324 10.382 ( -0.000 4.572 3.826) 5.962 10.586 ( 0.000 6.189 3.210) 6.972 11.146 ( 0.000 46.544 0.024) 46.544 11.383 ( 0.000 29.153 -6.387) 29.844 11.764 ( 0.000 22.983 0.002) 22.983 12.092 ( -0.000 -6.412 -3.325) 7.222 13.423 ( -0.000 -8.913 0.964) 8.965 13.532 ( -0.000 -10.501 6.135) 12.162 13.784 ( 0.000 5.191 -5.780) 7.769 14.585 ( -0.000 -17.110 -5.243) 17.895 15.398 ( -0.000 -24.013 13.349) 27.474 15.618 ( -0.000 -12.257 -0.869) 12.288 16.499 ( -0.000 -21.598 -0.096) 21.599 16.922 ( 0.000 6.918 -2.662) 7.412 17.374 ( -0.000 -2.713 0.062) 2.714 18.246 ( 0.000 15.093 -2.397) 15.282 18.863 ( 0.000 8.530 -0.239) 8.533 19.190 ( 0.000 16.624 3.224) 16.934 20.251 ( -0.000 1.421 4.503) 4.722 20.548 ( 0.000 9.719 -12.316) 15.689 22.342 ( -0.000 -24.097 4.099) 24.443 ======================= Grid point 215 (74/85) ======================= q-point: ( 0.67 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 1.941 2.639 -0.005) 3.276 1.234 ( -1.078 -6.485 5.857) 8.805 1.376 ( -0.014 6.677 12.606) 14.265 1.513 ( -3.721 -0.129 -3.240) 4.936 1.603 ( 0.654 -1.314 -0.576) 1.577 1.742 ( -0.036 -1.844 -1.248) 2.227 1.917 ( -2.923 -2.375 2.400) 4.466 2.366 ( 22.774 -3.253 2.957) 23.195 2.821 ( -2.037 7.904 -9.132) 12.248 3.213 ( -7.660 1.727 -1.097) 7.928 3.700 ( -4.259 7.681 0.709) 8.812 3.849 ( -1.429 0.322 -0.261) 1.488 4.329 ( -6.920 -9.691 1.266) 11.975 4.651 ( 6.899 12.259 -3.946) 14.610 4.777 ( -3.162 -8.875 -3.425) 10.025 5.225 ( 5.866 2.061 0.801) 6.269 5.513 ( -0.589 1.822 -0.986) 2.154 6.036 ( -10.156 0.419 1.347) 10.253 6.156 ( -0.528 -4.497 0.411) 4.547 6.456 ( -1.255 3.874 1.121) 4.224 6.528 ( 5.755 -3.933 -2.421) 7.380 6.738 ( 4.808 0.626 0.918) 4.935 6.833 ( 2.958 0.653 4.474) 5.403 6.992 ( 2.268 2.775 1.491) 3.881 7.563 ( -2.265 1.618 0.773) 2.889 8.831 ( -2.963 3.591 6.905) 8.328 9.026 ( -9.648 -2.295 -11.318) 15.048 9.228 ( 4.744 -5.825 -5.111) 9.086 9.360 ( 9.949 -3.990 0.451) 10.728 9.537 ( 8.467 -1.044 -6.257) 10.580 9.619 ( 5.331 -5.116 1.680) 7.578 9.743 ( -0.473 -9.776 -0.179) 9.789 9.946 ( -0.042 -1.419 4.154) 4.390 10.346 ( -9.881 2.169 4.396) 11.030 10.727 ( 7.653 5.989 4.896) 10.881 11.281 ( -17.080 38.221 -5.013) 42.163 11.739 ( 4.880 17.525 2.119) 18.315 11.980 ( -1.237 -7.499 -1.311) 7.713 12.245 ( 22.317 34.475 -1.116) 41.083 13.111 ( -17.779 -23.965 1.073) 29.859 13.540 ( 5.433 -8.749 3.902) 11.013 13.769 ( -2.167 3.515 -8.421) 9.379 14.403 ( -1.740 -10.073 -2.857) 10.613 15.234 ( -4.719 -8.371 9.523) 13.529 15.722 ( 18.619 -11.105 2.927) 21.876 16.322 ( 1.312 -18.051 0.016) 18.098 16.825 ( -15.844 5.213 -2.698) 16.897 17.180 ( -18.434 -1.880 0.480) 18.536 18.493 ( 13.848 11.251 -0.766) 17.859 19.008 ( 9.147 4.476 -1.124) 10.246 19.327 ( -2.399 12.062 4.317) 13.034 20.328 ( 2.374 2.627 7.850) 8.611 20.557 ( -0.206 9.820 -12.138) 15.614 22.094 ( -5.692 -22.097 0.729) 22.830 ======================= Grid point 224 (75/85) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.000 1.774 -0.268) 1.794 1.233 ( -0.000 -5.157 7.168) 8.831 1.534 ( -0.000 6.832 8.686) 11.051 1.540 ( 0.000 2.042 -5.142) 5.533 1.580 ( -0.000 -3.255 6.030) 6.853 1.723 ( -0.000 -1.872 1.044) 2.143 1.953 ( -0.000 -4.051 6.406) 7.579 2.156 ( -0.000 -0.165 3.083) 3.088 2.877 ( 0.000 14.440 -10.438) 17.818 3.183 ( 0.000 -8.619 -7.281) 11.282 3.799 ( -0.000 -5.298 3.390) 6.290 3.870 ( 0.000 1.143 0.368) 1.201 4.380 ( 0.000 4.998 -0.965) 5.090 4.663 ( -0.000 -11.969 -3.641) 12.511 4.663 ( 0.000 10.562 -8.435) 13.517 5.177 ( -0.000 -1.183 1.928) 2.262 5.545 ( 0.000 3.681 -1.015) 3.818 6.077 ( -0.000 -1.113 1.828) 2.140 6.284 ( -0.000 -0.156 4.223) 4.226 6.350 ( 0.000 3.719 -2.518) 4.491 6.561 ( -0.000 -4.406 0.731) 4.466 6.581 ( -0.000 -4.126 -2.187) 4.670 6.926 ( -0.000 4.378 8.090) 9.198 7.000 ( -0.000 3.158 3.237) 4.522 7.594 ( -0.000 -0.393 -0.129) 0.413 8.946 ( -0.000 4.680 8.207) 9.448 9.011 ( 0.000 -3.923 -10.762) 11.455 9.063 ( 0.000 0.134 -14.217) 14.218 9.325 ( 0.000 2.452 -1.864) 3.080 9.347 ( -0.000 -7.756 -2.488) 8.145 9.532 ( -0.000 -3.439 -0.136) 3.441 9.651 ( -0.000 -10.555 1.065) 10.608 9.956 ( -0.000 -3.421 3.227) 4.703 10.535 ( -0.000 3.503 7.919) 8.659 10.651 ( -0.000 -0.805 0.408) 0.903 11.790 ( 0.000 18.614 -2.183) 18.741 11.897 ( -0.000 -8.284 1.557) 8.429 11.912 ( 0.000 29.904 0.932) 29.919 12.275 ( 0.000 23.771 -1.496) 23.818 13.122 ( -0.000 -17.933 -1.716) 18.015 13.374 ( -0.000 -11.122 4.849) 12.133 13.747 ( 0.000 1.304 -11.213) 11.289 14.325 ( -0.000 -4.886 0.117) 4.887 15.305 ( -0.000 -7.168 15.785) 17.337 15.500 ( 0.000 -0.334 -0.899) 0.959 16.153 ( -0.000 -12.772 0.183) 12.773 17.002 ( 0.000 4.398 -1.359) 4.603 17.346 ( -0.000 -0.666 0.117) 0.676 18.444 ( 0.000 8.436 0.144) 8.437 18.961 ( 0.000 2.708 -0.707) 2.799 19.473 ( -0.000 7.331 6.552) 9.832 20.394 ( -0.000 3.204 10.116) 10.611 20.571 ( 0.000 10.464 -13.544) 17.116 21.928 ( -0.000 -21.485 -3.042) 21.700 ======================= Grid point 275 (76/85) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.000 0.000 1.201) 1.201 0.854 ( 0.000 0.000 1.201) 1.201 1.483 ( 0.000 -0.000 -2.560) 2.560 1.483 ( 0.000 -0.000 -2.560) 2.560 1.619 ( 0.000 -0.000 -0.136) 0.136 1.685 ( -0.000 0.000 9.749) 9.749 1.685 ( -0.000 0.000 9.749) 9.749 1.912 ( -0.000 0.000 12.278) 12.278 2.716 ( 0.000 -0.000 -5.357) 5.357 2.716 ( 0.000 -0.000 -5.357) 5.357 3.245 ( -0.000 0.000 14.451) 14.451 3.356 ( 0.000 -0.000 -9.350) 9.350 4.363 ( 0.000 -0.000 -2.219) 2.219 5.328 ( 0.000 -0.000 -0.728) 0.728 5.328 ( 0.000 -0.000 -0.728) 0.728 5.634 ( -0.000 0.000 2.181) 2.181 5.634 ( -0.000 0.000 2.181) 2.181 6.106 ( -0.000 0.000 6.326) 6.326 6.176 ( 0.000 -0.000 -3.051) 3.051 6.176 ( 0.000 -0.000 -3.051) 3.051 6.463 ( 0.000 -0.000 -3.157) 3.157 6.463 ( 0.000 -0.000 -3.157) 3.157 7.046 ( -0.000 0.000 4.516) 4.516 7.113 ( 0.000 -0.000 -0.825) 0.825 7.113 ( 0.000 -0.000 -0.825) 0.825 8.931 ( -0.000 0.000 15.270) 15.270 8.931 ( -0.000 0.000 15.270) 15.270 9.045 ( 0.000 -0.000 -0.895) 0.895 9.233 ( -0.000 0.000 0.338) 0.338 9.233 ( -0.000 0.000 0.338) 0.338 9.735 ( -0.000 0.000 3.329) 3.329 9.986 ( 0.000 -0.000 -3.690) 3.690 10.082 ( 0.000 -0.000 -13.038) 13.038 10.082 ( 0.000 -0.000 -13.038) 13.038 10.350 ( 0.000 -0.000 -0.431) 0.431 10.350 ( 0.000 -0.000 -0.431) 0.431 10.373 ( -0.000 0.000 3.203) 3.203 11.230 ( 0.000 -0.000 -0.598) 0.598 12.407 ( 0.000 -0.000 -6.999) 6.999 13.163 ( -0.000 0.000 0.022) 0.022 13.629 ( -0.000 0.000 12.441) 12.441 13.629 ( -0.000 0.000 12.441) 12.441 15.877 ( 0.000 -0.000 -3.629) 3.629 16.329 ( 0.000 0.000 -0.068) 0.068 16.329 ( 0.000 -0.000 -0.068) 0.068 16.792 ( 0.000 -0.000 -1.007) 1.007 17.149 ( 0.000 -0.000 -0.202) 0.202 17.149 ( 0.000 -0.000 -0.202) 0.202 17.765 ( 0.000 -0.000 -0.019) 0.019 18.239 ( -0.000 0.000 0.912) 0.912 18.239 ( -0.000 0.000 0.912) 0.912 20.379 ( 0.000 -0.000 -9.117) 9.117 20.379 ( 0.000 -0.000 -9.117) 9.117 23.247 ( -0.000 0.000 2.871) 2.871 ======================= Grid point 276 (77/85) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -0.583 -0.337 0.878) 1.107 0.984 ( 7.292 4.210 -2.653) 8.828 1.459 ( -0.766 -0.442 -1.621) 1.846 1.530 ( 2.098 1.211 -2.461) 3.453 1.629 ( 0.800 0.462 -0.941) 1.318 1.825 ( 7.453 4.303 9.915) 13.129 1.962 ( 11.899 6.870 4.720) 14.528 2.035 ( 8.596 4.963 6.177) 11.690 2.576 ( -0.952 -0.550 1.229) 1.649 2.871 ( 12.005 6.931 -8.227) 16.120 3.261 ( -3.071 -1.773 -7.289) 8.106 3.333 ( -0.198 -0.114 13.409) 13.411 4.287 ( -5.302 -3.061 -1.138) 6.227 5.171 ( -12.117 -6.996 0.067) 13.992 5.289 ( -3.265 -1.885 -1.095) 3.926 5.536 ( -10.609 -6.125 1.094) 12.298 5.657 ( 0.219 0.126 0.792) 0.832 6.090 ( -1.287 -0.743 2.243) 2.691 6.187 ( 2.248 1.298 -1.429) 2.963 6.290 ( 5.299 3.060 -0.491) 6.139 6.345 ( -3.181 -1.836 0.730) 3.744 6.514 ( 6.306 3.640 -4.944) 8.801 7.047 ( -5.985 -3.455 -0.677) 6.944 7.109 ( 0.171 0.099 -0.393) 0.440 7.174 ( 7.700 4.446 2.807) 9.324 8.956 ( -2.662 -1.537 15.131) 15.440 8.997 ( -6.405 -3.698 12.458) 14.488 9.183 ( 2.167 1.251 0.220) 2.512 9.291 ( 3.579 2.066 -0.790) 4.208 9.405 ( 24.425 14.102 0.038) 28.203 9.677 ( -5.127 -2.960 4.248) 7.286 9.930 ( 0.184 0.106 -1.523) 1.538 9.971 ( -3.496 -2.018 -9.293) 10.132 10.207 ( 12.576 7.261 -9.409) 17.303 10.345 ( 0.520 0.300 -3.848) 3.894 10.416 ( 5.457 3.151 -3.677) 7.296 10.418 ( 5.526 3.191 -0.018) 6.381 11.284 ( 5.544 3.201 -0.100) 6.402 12.338 ( -2.362 -1.364 -6.220) 6.792 13.229 ( 5.811 3.355 0.252) 6.715 13.636 ( -3.850 -2.223 11.608) 12.430 13.742 ( 0.959 0.553 8.367) 8.440 15.479 ( -24.537 -14.167 -2.766) 28.468 16.197 ( -11.467 -6.621 0.359) 13.246 16.506 ( 4.671 2.697 -2.929) 6.138 16.565 ( -14.251 -8.228 1.772) 16.550 17.079 ( -6.455 -3.727 -0.074) 7.454 17.417 ( 21.128 12.198 -1.853) 24.467 17.629 ( -9.379 -5.415 0.064) 10.830 18.401 ( 11.531 6.657 0.760) 13.336 18.459 ( 17.788 10.270 -0.020) 20.540 20.290 ( -0.667 -0.385 -6.076) 6.125 20.387 ( 3.195 1.845 -9.327) 10.030 23.101 ( -14.552 -8.402 4.863) 17.493 ======================= Grid point 277 (78/85) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 5.322 3.072 3.225) 6.940 1.126 ( 7.677 4.433 -2.963) 9.347 1.443 ( -0.234 -0.135 1.009) 1.045 1.536 ( 0.305 0.176 -2.319) 2.346 1.634 ( 0.436 0.252 -1.391) 1.480 1.894 ( -2.409 -1.391 3.694) 4.624 2.133 ( 5.305 3.063 -5.391) 8.161 2.212 ( 1.328 0.767 -3.958) 4.245 2.665 ( 0.555 0.321 9.844) 9.864 3.203 ( 15.613 9.014 -3.828) 18.430 3.242 ( 8.721 5.035 -2.842) 10.463 3.459 ( 10.806 6.239 9.834) 15.887 4.178 ( -3.108 -1.795 0.419) 3.614 4.870 ( -15.615 -9.015 -0.105) 18.031 5.213 ( -2.605 -1.504 -0.508) 3.051 5.246 ( -15.720 -9.076 1.189) 18.191 5.611 ( -4.204 -2.427 -0.752) 4.912 6.105 ( 0.805 0.465 1.549) 1.807 6.201 ( 0.951 0.549 0.736) 1.322 6.324 ( 0.654 0.378 -3.017) 3.111 6.427 ( 6.998 4.040 3.251) 8.710 6.686 ( 10.892 6.289 -5.820) 13.859 6.869 ( -9.596 -5.540 -0.409) 11.088 7.086 ( -1.935 -1.117 -1.369) 2.621 7.373 ( 8.756 5.055 2.087) 10.324 8.917 ( -6.653 -3.841 11.194) 13.577 9.000 ( -2.687 -1.551 14.722) 15.045 9.198 ( 0.671 0.387 0.943) 1.220 9.208 ( -6.705 -3.871 -6.244) 9.947 9.645 ( -3.761 -2.172 3.593) 5.637 9.783 ( -3.132 -1.809 -6.455) 7.400 9.972 ( 2.498 1.442 0.611) 2.948 10.139 ( -9.774 -5.643 1.421) 11.375 10.144 ( 32.671 18.862 -0.053) 37.725 10.539 ( 11.565 6.677 -5.497) 14.441 10.540 ( 7.009 4.047 -2.669) 8.522 10.679 ( 27.703 15.995 -7.936) 32.959 11.469 ( 11.829 6.829 -0.072) 13.659 12.231 ( -4.267 -2.463 -5.041) 7.049 13.390 ( 8.201 4.735 0.793) 9.503 13.604 ( -5.889 -3.400 10.434) 12.454 13.755 ( -3.445 -1.989 2.430) 4.662 14.963 ( -21.412 -12.362 -3.053) 24.913 15.891 ( -16.396 -9.466 1.085) 18.963 16.067 ( -22.708 -13.111 -3.303) 26.429 16.708 ( 7.823 4.516 1.675) 9.187 16.859 ( -14.377 -8.301 0.050) 16.601 17.459 ( -5.938 -3.428 0.004) 6.857 17.867 ( 20.259 11.697 -1.336) 23.432 18.653 ( 10.969 6.333 0.697) 12.686 18.884 ( 21.063 12.161 -2.185) 24.419 20.278 ( 1.772 1.023 -1.127) 2.336 20.395 ( 3.159 1.824 -9.672) 10.337 22.750 ( -20.851 -12.039 6.390) 24.911 ======================= Grid point 278 (79/85) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 5.658 3.267 2.801) 7.108 1.253 ( 4.628 2.672 -1.278) 5.495 1.471 ( 1.315 0.759 4.270) 4.532 1.516 ( 0.937 0.541 -7.011) 7.094 1.630 ( -0.353 -0.204 -0.814) 0.910 1.818 ( -4.692 -2.709 -2.231) 5.859 2.100 ( -4.890 -2.823 -9.853) 11.356 2.178 ( 2.039 1.177 -5.490) 5.974 2.675 ( -0.364 -0.210 9.043) 9.053 3.271 ( -3.832 -2.213 4.718) 6.468 3.586 ( 19.129 11.044 1.014) 22.111 3.815 ( 7.348 4.242 1.854) 8.685 4.303 ( 16.145 9.321 4.046) 19.077 4.531 ( -14.984 -8.651 -0.583) 17.311 4.929 ( -14.849 -8.573 2.294) 17.298 5.187 ( 0.169 0.098 -0.506) 0.542 5.523 ( -2.376 -1.372 -0.080) 2.745 6.112 ( -0.922 -0.532 -0.078) 1.067 6.259 ( 3.445 1.989 1.359) 4.203 6.311 ( 0.301 0.174 -4.101) 4.115 6.576 ( 3.302 1.906 3.015) 4.861 6.681 ( -7.232 -4.175 0.571) 8.370 6.849 ( 7.979 4.607 -7.149) 11.662 7.017 ( -2.469 -1.425 -2.731) 3.948 7.539 ( 5.255 3.034 1.118) 6.171 8.893 ( -0.075 -0.043 4.734) 4.735 9.016 ( -3.739 -2.159 12.254) 12.992 9.057 ( -4.674 -2.698 1.826) 5.697 9.246 ( 2.732 1.577 2.628) 4.106 9.523 ( -8.244 -4.760 0.295) 9.524 9.644 ( -5.583 -3.223 -3.188) 7.191 9.885 ( -11.661 -6.733 0.978) 13.501 10.013 ( -0.215 -0.124 -4.279) 4.287 10.489 ( 6.336 3.658 -6.797) 9.986 10.633 ( 2.995 1.729 -1.319) 3.701 11.153 ( 40.523 23.396 -0.688) 46.797 11.297 ( 28.745 16.596 2.111) 33.259 11.777 ( 17.464 10.083 -0.797) 20.182 12.099 ( -4.871 -2.812 -4.206) 7.024 13.424 ( -9.895 -5.713 1.333) 11.503 13.617 ( -9.289 -5.363 -2.419) 10.996 13.619 ( 3.690 2.130 10.150) 11.008 14.554 ( -15.203 -8.778 -2.193) 17.692 15.594 ( -10.478 -6.049 1.437) 12.184 15.612 ( -15.945 -9.206 -7.725) 19.967 16.498 ( -18.516 -10.690 0.005) 21.381 16.876 ( 6.736 3.889 1.869) 7.999 17.375 ( -2.306 -1.331 -0.079) 2.664 18.223 ( 13.607 7.856 0.004) 15.712 18.854 ( 7.235 4.177 0.692) 8.383 19.267 ( 16.041 9.261 -4.546) 19.072 20.361 ( 4.887 2.822 5.977) 8.220 20.397 ( 2.991 1.727 -9.985) 10.566 22.332 ( -21.437 -12.377 5.119) 25.278 ======================= Grid point 285 (80/85) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.000 5.253 0.946) 5.338 0.922 ( 0.000 3.955 -3.225) 5.104 1.460 ( -0.000 -1.259 -0.059) 1.260 1.483 ( 0.000 3.066 -3.117) 4.372 1.623 ( 0.000 0.831 -0.692) 1.082 1.782 ( -0.000 3.434 10.110) 10.677 2.002 ( -0.000 -0.350 5.886) 5.896 2.213 ( 0.000 26.350 -2.818) 26.501 2.481 ( -0.000 -4.636 6.918) 8.328 2.856 ( 0.000 13.037 -8.393) 15.505 3.218 ( 0.000 -3.648 -5.318) 6.449 3.427 ( -0.000 2.945 9.349) 9.802 4.286 ( -0.000 -5.015 -1.042) 5.122 5.165 ( -0.000 -15.551 0.201) 15.552 5.278 ( -0.000 -3.396 -0.480) 3.430 5.547 ( -0.000 -10.839 0.748) 10.864 5.671 ( 0.000 0.370 -0.124) 0.390 6.141 ( 0.000 1.169 -0.792) 1.413 6.176 ( 0.000 1.767 -0.943) 2.003 6.248 ( 0.000 3.117 1.464) 3.443 6.374 ( -0.000 0.810 1.748) 1.927 6.448 ( 0.000 1.968 -3.882) 4.352 7.042 ( -0.000 -7.048 -0.249) 7.052 7.110 ( 0.000 -0.342 -0.531) 0.631 7.192 ( 0.000 9.236 2.216) 9.498 8.964 ( -0.000 -11.134 13.206) 17.273 9.173 ( 0.000 4.555 2.060) 4.999 9.209 ( -0.000 3.406 7.802) 8.513 9.321 ( 0.000 6.952 -1.125) 7.043 9.371 ( 0.000 24.159 0.147) 24.159 9.753 ( -0.000 -1.106 4.449) 4.584 9.867 ( 0.000 -2.104 -9.431) 9.663 9.873 ( -0.000 -4.513 -2.816) 5.319 10.115 ( 0.000 13.558 -7.444) 15.467 10.335 ( -0.000 -7.443 1.679) 7.630 10.364 ( 0.000 2.507 -0.818) 2.637 10.479 ( 0.000 14.397 -5.318) 15.348 11.281 ( 0.000 6.110 0.147) 6.112 12.302 ( 0.000 -2.757 -4.962) 5.677 13.231 ( 0.000 7.073 0.076) 7.074 13.709 ( -0.000 -3.669 9.707) 10.377 13.785 ( -0.000 0.128 5.459) 5.460 15.477 ( -0.000 -27.647 -2.367) 27.748 16.214 ( -0.000 -12.178 -0.328) 12.182 16.332 ( -0.000 -15.363 4.293) 15.951 16.697 ( 0.000 1.218 -3.659) 3.857 17.084 ( -0.000 -7.241 -0.285) 7.247 17.415 ( 0.000 25.529 -1.880) 25.598 17.630 ( -0.000 -10.821 0.036) 10.821 18.410 ( 0.000 13.573 0.359) 13.578 18.440 ( 0.000 17.924 0.972) 17.950 20.246 ( 0.000 -1.400 -3.541) 3.808 20.347 ( 0.000 4.886 -8.325) 9.653 23.127 ( -0.000 -15.508 3.385) 15.873 ======================= Grid point 286 (81/85) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -0.703 6.672 3.042) 7.366 1.025 ( 7.008 5.704 -3.445) 9.670 1.436 ( -0.301 -1.872 1.868) 2.662 1.507 ( 0.950 0.618 -3.744) 3.911 1.627 ( 0.105 0.605 -0.790) 1.001 1.888 ( 0.022 -2.295 4.920) 5.429 2.018 ( 0.410 -2.183 -1.142) 2.498 2.379 ( 10.945 7.202 -1.180) 13.156 2.615 ( -2.564 12.239 7.108) 14.383 2.965 ( 2.764 0.752 -6.287) 6.909 3.278 ( 12.847 20.297 -1.876) 24.095 3.494 ( -1.090 3.642 5.634) 6.797 4.209 ( -2.632 -3.320 -0.314) 4.248 4.944 ( -8.355 -16.516 0.631) 18.520 5.223 ( -1.862 -3.047 -0.377) 3.591 5.365 ( -9.015 -13.310 -0.033) 16.075 5.619 ( -2.829 -3.837 -0.858) 4.843 6.141 ( -2.940 -3.752 0.314) 4.777 6.183 ( 1.182 5.123 0.670) 5.300 6.274 ( 3.456 -0.149 -0.301) 3.473 6.439 ( 1.149 6.616 1.759) 6.942 6.559 ( 8.842 8.356 -3.117) 12.559 6.934 ( -4.633 -8.189 -0.207) 9.411 7.080 ( -1.249 -2.426 -0.435) 2.763 7.331 ( 4.713 8.473 1.249) 9.775 8.933 ( -1.142 -10.968 10.774) 15.417 9.200 ( -6.612 -1.796 -4.534) 8.216 9.241 ( -2.439 5.321 5.501) 8.032 9.336 ( -0.917 7.556 -0.259) 7.616 9.622 ( 6.169 3.387 2.197) 7.372 9.791 ( 5.774 -4.689 -2.090) 7.726 9.825 ( 1.221 17.054 -1.622) 17.175 9.923 ( 5.823 0.783 -1.763) 6.135 10.190 ( -4.795 -8.469 1.102) 9.794 10.297 ( 3.643 1.854 -1.321) 4.296 10.530 ( 14.097 15.185 2.068) 20.823 10.634 ( 7.152 25.779 -9.066) 28.247 11.402 ( 5.988 9.532 0.402) 11.264 12.227 ( -2.221 -3.947 -3.212) 5.553 13.347 ( 4.680 8.244 0.246) 9.483 13.699 ( -3.428 -4.910 8.007) 9.999 13.784 ( -1.593 -2.498 0.221) 2.971 15.087 ( -13.895 -22.484 -1.876) 26.498 15.867 ( -12.659 -24.204 1.251) 27.343 16.409 ( 8.015 -16.125 2.807) 18.225 16.530 ( -13.125 5.713 -3.407) 14.714 16.976 ( -5.102 -8.066 -0.131) 9.545 17.383 ( -6.001 -10.462 -0.006) 12.060 17.836 ( 12.452 23.112 -1.333) 26.287 18.640 ( 7.375 16.406 0.445) 17.993 18.693 ( 11.975 14.481 -0.136) 18.792 20.245 ( 1.927 0.188 0.870) 2.122 20.347 ( 0.645 5.057 -8.024) 9.506 22.894 ( -10.932 -18.785 3.262) 21.978 ======================= Grid point 287 (82/85) ======================= q-point: ( 0.67 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 3.343 5.842 3.027) 7.381 1.179 ( 7.159 5.582 -2.217) 9.345 1.446 ( 1.464 -2.490 -1.339) 3.184 1.472 ( -0.661 -0.954 -2.035) 2.343 1.627 ( -0.111 -0.363 -0.180) 0.420 1.823 ( -3.231 -6.877 0.863) 7.647 1.974 ( 0.393 -4.398 -3.073) 5.380 2.442 ( -13.217 20.790 -6.196) 25.403 2.754 ( -2.554 -1.907 9.379) 9.906 3.030 ( 22.892 -7.760 -2.773) 24.330 3.544 ( 0.260 7.750 2.473) 8.139 3.749 ( 11.470 12.733 0.899) 17.161 4.255 ( 8.637 13.998 1.420) 16.510 4.629 ( -11.916 -15.404 -0.662) 19.486 5.059 ( -12.569 -13.667 1.135) 18.603 5.194 ( 0.151 0.472 0.108) 0.507 5.538 ( -2.282 -3.441 -0.031) 4.129 6.064 ( 1.512 -8.681 -0.204) 8.814 6.217 ( -4.514 4.846 0.951) 6.691 6.360 ( 6.499 2.111 -1.994) 7.119 6.546 ( 0.579 5.769 2.345) 6.254 6.724 ( 4.468 0.243 -3.413) 5.628 6.799 ( -2.792 3.635 -0.605) 4.623 7.022 ( -2.228 -3.270 -0.831) 4.043 7.484 ( 5.403 4.397 0.425) 6.979 8.864 ( -1.264 -6.463 0.508) 6.605 9.050 ( -2.438 -7.234 1.948) 7.878 9.262 ( -7.766 8.064 6.977) 13.192 9.387 ( -4.532 10.941 2.059) 12.020 9.575 ( -4.704 -5.151 2.092) 7.283 9.729 ( -6.260 2.344 -3.226) 7.422 9.960 ( -3.152 -5.884 1.459) 6.833 9.983 ( -3.935 -4.411 -5.541) 8.102 10.329 ( 4.853 -4.053 -2.561) 6.821 10.377 ( 37.461 8.791 -2.408) 38.553 10.754 ( 7.136 9.889 1.313) 12.265 11.262 ( 21.688 37.601 0.563) 43.410 11.666 ( 13.579 18.170 -0.679) 22.694 12.119 ( -4.180 -5.088 -1.315) 6.715 13.437 ( -2.890 -6.688 -0.261) 7.290 13.634 ( -0.117 -1.892 3.166) 3.690 13.707 ( -4.301 -1.930 0.806) 4.783 14.677 ( -13.660 -15.267 -0.223) 20.487 15.487 ( -8.019 -20.029 -1.278) 21.612 16.073 ( -28.616 5.801 -3.591) 29.418 16.582 ( 7.129 -15.294 1.339) 16.927 16.775 ( -7.055 -5.115 1.410) 8.827 17.239 ( 3.304 -15.491 -0.187) 15.840 18.216 ( 8.899 21.158 0.242) 22.955 18.870 ( 2.475 15.095 1.247) 15.347 19.048 ( 17.823 8.835 -2.925) 20.106 20.312 ( 3.000 1.844 -0.851) 3.623 20.373 ( 2.696 4.966 -0.477) 5.671 22.515 ( -16.112 -18.544 1.642) 24.621 ======================= Grid point 295 (83/85) ======================= q-point: ( 0.56 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.000 5.709 -4.654) 7.366 1.057 ( 0.000 10.227 3.962) 10.968 1.450 ( -0.000 -2.728 4.936) 5.640 1.487 ( 0.000 2.130 -3.689) 4.260 1.628 ( 0.000 0.596 -0.663) 0.891 1.979 ( -0.000 -5.791 -3.723) 6.885 2.004 ( -0.000 6.677 7.341) 9.923 2.121 ( -0.000 -9.507 5.083) 10.781 2.863 ( 0.000 -1.975 -10.033) 10.225 3.079 ( 0.000 27.811 7.694) 28.856 3.236 ( 0.000 14.435 -2.016) 14.575 3.583 ( 0.000 10.733 -1.694) 10.866 4.193 ( -0.000 -2.037 -1.159) 2.344 4.851 ( -0.000 -18.730 1.729) 18.809 5.212 ( -0.000 -2.741 -0.323) 2.760 5.274 ( -0.000 -16.942 -1.629) 17.021 5.615 ( -0.000 -4.805 -1.224) 4.958 6.137 ( 0.000 0.143 -1.669) 1.675 6.207 ( 0.000 2.288 0.106) 2.291 6.264 ( -0.000 -0.745 2.983) 3.074 6.497 ( 0.000 7.881 -3.770) 8.736 6.574 ( 0.000 11.033 5.298) 12.239 6.867 ( -0.000 -10.726 0.000) 10.726 7.071 ( -0.000 -3.532 0.211) 3.538 7.391 ( 0.000 9.955 0.264) 9.958 8.922 ( -0.000 -8.434 9.517) 12.716 9.177 ( 0.000 -1.414 -1.932) 2.394 9.258 ( 0.000 -3.966 -10.104) 10.855 9.278 ( 0.000 1.009 -6.795) 6.870 9.657 ( -0.000 -0.802 4.715) 4.782 9.695 ( -0.000 -7.402 -1.729) 7.602 9.920 ( -0.000 3.077 6.261) 6.976 10.138 ( 0.000 33.159 0.539) 33.163 10.145 ( -0.000 -13.249 0.560) 13.261 10.423 ( 0.000 17.009 4.774) 17.666 10.470 ( 0.000 14.402 1.375) 14.468 10.733 ( 0.000 27.033 -9.024) 28.499 11.462 ( 0.000 12.827 0.909) 12.859 12.189 ( -0.000 -5.137 -1.057) 5.244 13.395 ( 0.000 9.081 0.136) 9.082 13.723 ( -0.000 -5.997 5.581) 8.193 13.754 ( 0.000 -4.079 -4.293) 5.922 14.954 ( -0.000 -25.002 -1.783) 25.065 15.912 ( -0.000 -18.338 -0.970) 18.364 15.956 ( -0.000 -28.109 7.631) 29.127 16.760 ( 0.000 8.170 -3.453) 8.870 16.862 ( -0.000 -16.638 -0.228) 16.640 17.458 ( -0.000 -6.928 0.029) 6.928 17.869 ( 0.000 23.968 -1.642) 24.024 18.663 ( 0.000 12.813 -0.229) 12.815 18.841 ( 0.000 22.153 2.190) 22.261 20.253 ( -0.000 1.498 4.402) 4.650 20.343 ( 0.000 5.597 -7.475) 9.339 22.799 ( -0.000 -22.835 1.083) 22.861 ======================= Grid point 367 (84/85) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.000 -0.000 -0.515) 0.515 0.850 ( 0.000 -0.000 -0.515) 0.515 1.442 ( 0.000 -0.000 -1.298) 1.298 1.442 ( 0.000 -0.000 -1.298) 1.298 1.613 ( 0.000 -0.000 -0.196) 0.196 1.851 ( -0.000 0.000 5.631) 5.631 1.851 ( -0.000 0.000 5.631) 5.631 2.054 ( -0.000 0.000 3.304) 3.304 2.628 ( 0.000 -0.000 -3.050) 3.050 2.628 ( 0.000 -0.000 -3.050) 3.050 3.228 ( 0.000 -0.000 -3.572) 3.572 3.457 ( -0.000 0.000 6.298) 6.298 4.334 ( 0.000 -0.000 -0.789) 0.789 5.316 ( 0.000 -0.000 -0.426) 0.426 5.316 ( 0.000 -0.000 -0.426) 0.426 5.665 ( -0.000 0.000 0.918) 0.918 5.665 ( -0.000 0.000 0.918) 0.918 6.127 ( 0.000 -0.000 -1.541) 1.541 6.127 ( 0.000 -0.000 -1.541) 1.541 6.191 ( -0.000 0.000 2.337) 2.337 6.422 ( 0.000 -0.000 -1.121) 1.121 6.422 ( 0.000 -0.000 -1.121) 1.121 7.107 ( 0.000 -0.000 -0.048) 0.048 7.107 ( 0.000 -0.000 -0.048) 0.048 7.108 ( -0.000 0.000 1.729) 1.729 9.033 ( 0.000 -0.000 -0.362) 0.362 9.193 ( -0.000 0.000 9.805) 9.805 9.193 ( -0.000 0.000 9.805) 9.805 9.238 ( -0.000 0.000 0.282) 0.282 9.238 ( -0.000 0.000 0.282) 0.282 9.794 ( -0.000 0.000 2.279) 2.279 9.850 ( 0.000 -0.000 -9.105) 9.105 9.850 ( 0.000 -0.000 -9.105) 9.105 9.927 ( 0.000 -0.000 -2.151) 2.151 10.342 ( 0.000 -0.000 -0.237) 0.237 10.342 ( 0.000 -0.000 -0.237) 0.237 10.417 ( -0.000 0.000 1.210) 1.210 11.223 ( 0.000 -0.000 -0.125) 0.125 12.300 ( 0.000 -0.000 -3.281) 3.281 13.164 ( -0.000 0.000 0.009) 0.009 13.805 ( -0.000 0.000 5.091) 5.091 13.805 ( -0.000 0.000 5.091) 5.091 15.833 ( 0.000 -0.000 -1.060) 1.060 16.328 ( 0.000 0.000 -0.029) 0.029 16.328 ( 0.000 -0.000 -0.029) 0.029 16.774 ( 0.000 -0.000 -0.633) 0.633 17.146 ( 0.000 -0.000 -0.102) 0.102 17.146 ( 0.000 -0.000 -0.102) 0.102 17.765 ( 0.000 -0.000 -0.007) 0.007 18.252 ( -0.000 0.000 0.360) 0.360 18.252 ( -0.000 0.000 0.360) 0.360 20.250 ( 0.000 -0.000 -3.771) 3.771 20.250 ( 0.000 -0.000 -3.771) 3.771 23.286 ( -0.000 0.000 1.127) 1.127 ======================= Grid point 368 (85/85) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 1.355 0.782 3.682) 4.000 0.918 ( 5.983 3.454 -3.616) 7.797 1.447 ( 0.779 0.450 0.578) 1.070 1.479 ( 1.614 0.932 -2.118) 2.821 1.616 ( 0.354 0.204 -0.079) 0.416 1.946 ( 4.592 2.651 -5.879) 7.917 2.006 ( 2.045 1.181 6.555) 6.967 2.116 ( 9.021 5.208 3.787) 11.083 2.681 ( 9.679 5.588 -11.309) 15.900 2.683 ( 7.438 4.294 8.753) 12.263 3.177 ( -2.612 -1.508 -1.200) 3.247 3.494 ( 0.946 0.546 2.666) 2.881 4.276 ( -4.520 -2.610 -0.011) 5.220 5.168 ( -12.166 -7.024 -0.223) 14.050 5.275 ( -3.137 -1.811 -0.259) 3.631 5.550 ( -10.578 -6.107 0.348) 12.219 5.667 ( -0.857 -0.495 0.323) 1.040 6.121 ( -0.071 -0.041 1.208) 1.211 6.169 ( 3.011 1.739 -0.316) 3.491 6.276 ( 2.973 1.716 -1.129) 3.614 6.381 ( -0.173 -0.100 2.852) 2.859 6.427 ( 4.301 2.483 -3.794) 6.249 7.042 ( -6.124 -3.536 -0.110) 7.073 7.106 ( -0.404 -0.233 0.030) 0.467 7.209 ( 7.605 4.391 0.554) 8.799 9.148 ( -8.147 -4.704 -2.150) 9.650 9.167 ( 2.705 1.562 2.435) 3.961 9.222 ( -0.034 -0.020 6.330) 6.330 9.262 ( 0.053 0.030 2.172) 2.173 9.402 ( 21.710 12.534 -0.975) 25.087 9.769 ( -2.378 -1.373 4.587) 5.346 9.808 ( 0.283 0.164 -5.023) 5.034 9.875 ( 4.157 2.400 -4.393) 6.506 10.045 ( 14.498 8.370 -2.407) 16.913 10.347 ( -6.495 -3.750 0.469) 7.514 10.369 ( 2.616 1.511 -1.303) 3.290 10.427 ( 7.025 4.056 1.103) 8.187 11.284 ( 5.766 3.329 -0.038) 6.658 12.262 ( -2.314 -1.336 -1.136) 2.903 13.231 ( 6.121 3.534 0.065) 7.069 13.796 ( -2.552 -1.473 4.345) 5.250 13.816 ( -1.572 -0.907 -0.977) 2.061 15.454 ( -24.847 -14.346 0.013) 28.691 16.206 ( -10.929 -6.310 0.497) 12.629 16.424 ( -7.599 -4.387 -4.949) 10.073 16.624 ( -2.477 -1.430 3.733) 4.703 17.080 ( -6.357 -3.670 0.141) 7.342 17.398 ( 20.658 11.927 -0.066) 23.854 17.630 ( -9.363 -5.406 0.015) 10.812 18.411 ( 11.592 6.693 0.261) 13.388 18.454 ( 16.477 9.513 -0.504) 19.032 20.246 ( 1.632 0.942 1.667) 2.516 20.252 ( 1.318 0.761 -4.112) 4.384 23.153 ( -12.512 -7.224 0.686) 14.464 =================== 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 3/39366 10.0 77.101 77.101 69.031 0.000 -0.000 0.000 3/39366 20.0 18.400 18.400 15.717 0.000 -0.000 0.000 3/39366 30.0 9.928 9.928 7.967 0.000 -0.000 0.000 3/39366 40.0 7.110 7.110 5.284 0.000 -0.000 0.000 3/39366 50.0 5.695 5.695 3.955 0.000 -0.000 0.000 3/39366 60.0 4.806 4.806 3.157 0.000 -0.000 0.000 3/39366 70.0 4.183 4.183 2.623 0.000 -0.000 0.000 3/39366 80.0 3.723 3.723 2.243 0.000 -0.000 0.000 3/39366 90.0 3.373 3.373 1.960 0.000 -0.000 0.000 3/39366 100.0 3.102 3.102 1.745 0.000 -0.000 0.000 3/39366 110.0 2.886 2.886 1.576 0.000 -0.000 0.000 3/39366 120.0 2.712 2.712 1.443 0.000 -0.000 0.000 3/39366 130.0 2.567 2.567 1.335 0.000 -0.000 0.000 3/39366 140.0 2.445 2.445 1.247 0.000 -0.000 0.000 3/39366 150.0 2.339 2.339 1.173 0.000 -0.000 0.000 3/39366 160.0 2.246 2.246 1.112 0.000 -0.000 0.000 3/39366 170.0 2.163 2.163 1.059 0.000 -0.000 0.000 3/39366 180.0 2.087 2.087 1.014 0.000 -0.000 0.000 3/39366 190.0 2.018 2.018 0.975 0.000 -0.000 0.000 3/39366 200.0 1.954 1.954 0.940 0.000 -0.000 0.000 3/39366 210.0 1.895 1.895 0.909 0.000 -0.000 0.000 3/39366 220.0 1.839 1.839 0.881 0.000 -0.000 0.000 3/39366 230.0 1.787 1.787 0.856 0.000 -0.000 0.000 3/39366 240.0 1.737 1.737 0.833 0.000 -0.000 0.000 3/39366 250.0 1.690 1.690 0.811 0.000 -0.000 0.000 3/39366 260.0 1.646 1.646 0.791 0.000 -0.000 0.000 3/39366 270.0 1.604 1.604 0.772 0.000 -0.000 0.000 3/39366 280.0 1.563 1.563 0.754 0.000 -0.000 0.000 3/39366 290.0 1.525 1.525 0.737 0.000 -0.000 0.000 3/39366 300.0 1.488 1.488 0.721 0.000 -0.000 0.000 3/39366 310.0 1.453 1.453 0.706 0.000 -0.000 0.000 3/39366 320.0 1.419 1.419 0.692 0.000 -0.000 0.000 3/39366 330.0 1.387 1.387 0.678 0.000 -0.000 0.000 3/39366 340.0 1.356 1.356 0.664 0.000 -0.000 0.000 3/39366 350.0 1.326 1.326 0.651 0.000 -0.000 0.000 3/39366 360.0 1.297 1.297 0.639 0.000 -0.000 0.000 3/39366 370.0 1.269 1.269 0.627 0.000 -0.000 0.000 3/39366 380.0 1.243 1.243 0.615 0.000 -0.000 0.000 3/39366 390.0 1.217 1.217 0.604 0.000 -0.000 0.000 3/39366 400.0 1.193 1.193 0.593 0.000 -0.000 0.000 3/39366 410.0 1.169 1.169 0.582 0.000 -0.000 0.000 3/39366 420.0 1.146 1.146 0.572 0.000 -0.000 0.000 3/39366 430.0 1.124 1.124 0.562 0.000 -0.000 0.000 3/39366 440.0 1.103 1.103 0.553 0.000 -0.000 0.000 3/39366 450.0 1.082 1.082 0.543 0.000 -0.000 0.000 3/39366 460.0 1.062 1.062 0.534 0.000 -0.000 0.000 3/39366 470.0 1.043 1.043 0.526 0.000 -0.000 0.000 3/39366 480.0 1.025 1.025 0.517 0.000 -0.000 0.000 3/39366 490.0 1.007 1.007 0.509 0.000 -0.000 0.000 3/39366 500.0 0.989 0.989 0.501 0.000 -0.000 0.000 3/39366 510.0 0.972 0.972 0.493 0.000 -0.000 0.000 3/39366 520.0 0.956 0.956 0.486 0.000 -0.000 0.000 3/39366 530.0 0.940 0.940 0.478 0.000 -0.000 0.000 3/39366 540.0 0.925 0.925 0.471 0.000 -0.000 0.000 3/39366 550.0 0.910 0.910 0.464 0.000 -0.000 0.000 3/39366 560.0 0.896 0.896 0.457 0.000 -0.000 0.000 3/39366 570.0 0.882 0.882 0.451 0.000 -0.000 0.000 3/39366 580.0 0.868 0.868 0.444 0.000 -0.000 0.000 3/39366 590.0 0.855 0.855 0.438 0.000 -0.000 0.000 3/39366 600.0 0.842 0.842 0.432 0.000 -0.000 0.000 3/39366 610.0 0.830 0.830 0.426 0.000 -0.000 0.000 3/39366 620.0 0.817 0.817 0.420 0.000 -0.000 0.000 3/39366 630.0 0.806 0.806 0.414 0.000 -0.000 0.000 3/39366 640.0 0.794 0.794 0.409 0.000 -0.000 0.000 3/39366 650.0 0.783 0.783 0.403 0.000 -0.000 0.000 3/39366 660.0 0.772 0.772 0.398 0.000 -0.000 0.000 3/39366 670.0 0.762 0.762 0.393 0.000 -0.000 0.000 3/39366 680.0 0.751 0.751 0.388 0.000 -0.000 0.000 3/39366 690.0 0.741 0.741 0.383 0.000 -0.000 0.000 3/39366 700.0 0.731 0.731 0.378 0.000 -0.000 0.000 3/39366 710.0 0.722 0.722 0.373 0.000 -0.000 0.000 3/39366 720.0 0.713 0.713 0.369 0.000 -0.000 0.000 3/39366 730.0 0.704 0.704 0.364 0.000 -0.000 0.000 3/39366 740.0 0.695 0.695 0.360 0.000 -0.000 0.000 3/39366 750.0 0.686 0.686 0.356 0.000 -0.000 0.000 3/39366 760.0 0.678 0.678 0.352 0.000 -0.000 0.000 3/39366 770.0 0.669 0.669 0.348 0.000 -0.000 0.000 3/39366 780.0 0.661 0.661 0.344 0.000 -0.000 0.000 3/39366 790.0 0.654 0.654 0.340 0.000 -0.000 0.000 3/39366 800.0 0.646 0.646 0.336 0.000 -0.000 0.000 3/39366 810.0 0.638 0.638 0.332 0.000 -0.000 0.000 3/39366 820.0 0.631 0.631 0.328 0.000 -0.000 0.000 3/39366 830.0 0.624 0.624 0.325 0.000 -0.000 0.000 3/39366 840.0 0.617 0.617 0.321 0.000 -0.000 0.000 3/39366 850.0 0.610 0.610 0.318 0.000 -0.000 0.000 3/39366 860.0 0.603 0.603 0.314 0.000 -0.000 0.000 3/39366 870.0 0.597 0.597 0.311 0.000 -0.000 0.000 3/39366 880.0 0.590 0.590 0.308 0.000 -0.000 0.000 3/39366 890.0 0.584 0.584 0.305 0.000 -0.000 0.000 3/39366 900.0 0.578 0.578 0.302 0.000 -0.000 0.000 3/39366 910.0 0.572 0.572 0.299 0.000 -0.000 0.000 3/39366 920.0 0.566 0.566 0.296 0.000 -0.000 0.000 3/39366 930.0 0.560 0.560 0.293 0.000 -0.000 0.000 3/39366 940.0 0.554 0.554 0.290 0.000 -0.000 0.000 3/39366 950.0 0.549 0.549 0.287 0.000 -0.000 0.000 3/39366 960.0 0.543 0.543 0.284 0.000 -0.000 0.000 3/39366 970.0 0.538 0.538 0.281 0.000 -0.000 0.000 3/39366 980.0 0.533 0.533 0.279 0.000 -0.000 0.000 3/39366 990.0 0.527 0.527 0.276 0.000 -0.000 0.000 3/39366 1000.0 0.522 0.522 0.274 0.000 -0.000 0.000 3/39366 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:19:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|