----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:39:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.190557251380814 0.000000000000000 0.000000000000000 b 0.000000000000000 10.002131909999997 0.000000000000000 c -1.781116924684798 0.000000000000000 6.590659280837546 Atomic positions (fractional): *1 S 0.94817001345155 0.82172081816928 0.07686968498785 32.065 *2 S 0.51664462140673 0.21172510690797 0.81677674973036 32.065 3 S 0.48335537859327 0.71172510690797 0.68322325026964 32.065 4 S 0.48335537859327 0.78827489309203 0.18322325026964 32.065 *5 S 0.22373594080647 0.50026236015445 0.90985874073621 32.065 6 S 0.77626405919353 0.00026236015445 0.59014125926378 32.065 7 S 0.77626405919353 0.49973763984555 0.09014125926378 32.065 8 S 0.22373594080647 0.99973763984555 0.40985874073621 32.065 9 S 0.05182998654845 0.17827918183072 0.92313031501214 32.065 10 S 0.94817001345155 0.67827918183072 0.57686968498785 32.065 11 S 0.05182998654845 0.32172081816928 0.42313031501214 32.065 12 S 0.51664462140673 0.28827489309203 0.31677674973036 32.065 *13 Ge 0.32155580022590 0.29411923458424 0.99826415018393 72.640 14 Ge 0.32155580022590 0.20588076541576 0.49826415018393 72.640 15 Ge 0.67844419977410 0.70588076541576 0.00173584981606 72.640 16 Ge 0.67844419977410 0.79411923458424 0.50173584981606 72.640 *17 Sn 0.12792863474764 0.58587600808898 0.26941027639071 118.710 18 Sn 0.87207136525236 0.08587600808898 0.23058972360929 118.710 19 Sn 0.87207136525236 0.41412399191102 0.73058972360929 118.710 20 Sn 0.12792863474764 0.91412399191102 0.76941027639071 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.190557251380814 0.000000000000000 0.000000000000000 b 0.000000000000000 10.002131909999997 0.000000000000000 c -1.781116924684796 0.000000000000000 6.590659280837539 Atomic positions (fractional): *1 S 0.94817001345155 0.82172081816928 0.07686968498785 32.065 > 1 *2 S 0.51664462140673 0.21172510690797 0.81677674973036 32.065 > 2 3 S 0.48335537859327 0.71172510690797 0.68322325026964 32.065 > 3 4 S 0.48335537859327 0.78827489309203 0.18322325026964 32.065 > 4 *5 S 0.22373594080647 0.50026236015445 0.90985874073622 32.065 > 5 6 S 0.77626405919353 0.00026236015445 0.59014125926378 32.065 > 6 7 S 0.77626405919353 0.49973763984555 0.09014125926378 32.065 > 7 8 S 0.22373594080647 0.99973763984555 0.40985874073621 32.065 > 8 9 S 0.05182998654845 0.17827918183072 0.92313031501215 32.065 > 9 10 S 0.94817001345155 0.67827918183072 0.57686968498785 32.065 > 10 11 S 0.05182998654845 0.32172081816928 0.42313031501214 32.065 > 11 12 S 0.51664462140673 0.28827489309203 0.31677674973036 32.065 > 12 *13 Ge 0.32155580022590 0.29411923458424 0.99826415018393 72.640 > 13 14 Ge 0.32155580022590 0.20588076541576 0.49826415018393 72.640 > 14 15 Ge 0.67844419977410 0.70588076541576 0.00173584981606 72.640 > 15 16 Ge 0.67844419977410 0.79411923458424 0.50173584981607 72.640 > 16 *17 Sn 0.12792863474764 0.58587600808898 0.26941027639071 118.710 > 17 18 Sn 0.87207136525236 0.08587600808898 0.23058972360929 118.710 > 18 19 Sn 0.87207136525236 0.41412399191102 0.73058972360929 118.710 > 19 20 Sn 0.12792863474764 0.91412399191102 0.76941027639071 118.710 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.381114502761628 0.000000000000000 0.000000000000000 b 0.000000000000000 10.002131909999997 0.000000000000000 c -3.562233849369592 0.000000000000000 13.181318561675077 Atomic positions (fractional): *1 S 0.47408500672578 0.82172081816928 0.03843484249393 32.065 > 1 2 S 0.97408500672578 0.82172081816928 0.03843484249393 32.065 > 1 3 S 0.47408500672578 0.82172081816928 0.53843484249393 32.065 > 1 4 S 0.97408500672578 0.82172081816928 0.53843484249393 32.065 > 1 *5 S 0.25832231070336 0.21172510690797 0.40838837486518 32.065 > 2 6 S 0.75832231070336 0.21172510690797 0.40838837486518 32.065 > 2 7 S 0.25832231070336 0.21172510690797 0.90838837486518 32.065 > 2 8 S 0.75832231070336 0.21172510690797 0.90838837486518 32.065 > 2 9 S 0.24167768929663 0.71172510690797 0.34161162513482 32.065 > 3 10 S 0.74167768929664 0.71172510690797 0.34161162513482 32.065 > 3 11 S 0.24167768929663 0.71172510690797 0.84161162513482 32.065 > 3 12 S 0.74167768929664 0.71172510690797 0.84161162513482 32.065 > 3 13 S 0.24167768929663 0.78827489309203 0.09161162513482 32.065 > 4 14 S 0.74167768929664 0.78827489309203 0.09161162513482 32.065 > 4 15 S 0.24167768929663 0.78827489309203 0.59161162513482 32.065 > 4 16 S 0.74167768929664 0.78827489309203 0.59161162513482 32.065 > 4 *17 S 0.11186797040323 0.50026236015445 0.45492937036811 32.065 > 5 18 S 0.61186797040323 0.50026236015445 0.45492937036811 32.065 > 5 19 S 0.11186797040323 0.50026236015445 0.95492937036811 32.065 > 5 20 S 0.61186797040323 0.50026236015445 0.95492937036811 32.065 > 5 21 S 0.38813202959677 0.00026236015445 0.29507062963189 32.065 > 6 22 S 0.88813202959677 0.00026236015445 0.29507062963189 32.065 > 6 23 S 0.38813202959677 0.00026236015445 0.79507062963189 32.065 > 6 24 S 0.88813202959677 0.00026236015445 0.79507062963189 32.065 > 6 25 S 0.38813202959677 0.49973763984555 0.04507062963189 32.065 > 7 26 S 0.88813202959677 0.49973763984555 0.04507062963189 32.065 > 7 27 S 0.38813202959677 0.49973763984555 0.54507062963189 32.065 > 7 28 S 0.88813202959677 0.49973763984555 0.54507062963189 32.065 > 7 29 S 0.11186797040323 0.99973763984555 0.20492937036811 32.065 > 8 30 S 0.61186797040323 0.99973763984555 0.20492937036811 32.065 > 8 31 S 0.11186797040323 0.99973763984555 0.70492937036811 32.065 > 8 32 S 0.61186797040323 0.99973763984555 0.70492937036811 32.065 > 8 33 S 0.02591499327422 0.17827918183072 0.46156515750607 32.065 > 9 34 S 0.52591499327422 0.17827918183072 0.46156515750607 32.065 > 9 35 S 0.02591499327422 0.17827918183072 0.96156515750607 32.065 > 9 36 S 0.52591499327422 0.17827918183072 0.96156515750607 32.065 > 9 37 S 0.47408500672578 0.67827918183072 0.28843484249393 32.065 > 10 38 S 0.97408500672578 0.67827918183072 0.28843484249393 32.065 > 10 39 S 0.47408500672578 0.67827918183072 0.78843484249393 32.065 > 10 40 S 0.97408500672578 0.67827918183072 0.78843484249393 32.065 > 10 41 S 0.02591499327422 0.32172081816928 0.21156515750607 32.065 > 11 42 S 0.52591499327422 0.32172081816928 0.21156515750607 32.065 > 11 43 S 0.02591499327422 0.32172081816928 0.71156515750607 32.065 > 11 44 S 0.52591499327422 0.32172081816928 0.71156515750607 32.065 > 11 45 S 0.25832231070336 0.28827489309203 0.15838837486518 32.065 > 12 46 S 0.75832231070336 0.28827489309203 0.15838837486518 32.065 > 12 47 S 0.25832231070336 0.28827489309203 0.65838837486518 32.065 > 12 48 S 0.75832231070336 0.28827489309203 0.65838837486518 32.065 > 12 *49 Ge 0.16077790011295 0.29411923458424 0.49913207509197 72.640 > 13 50 Ge 0.66077790011295 0.29411923458424 0.49913207509197 72.640 > 13 51 Ge 0.16077790011295 0.29411923458424 0.99913207509197 72.640 > 13 52 Ge 0.66077790011295 0.29411923458424 0.99913207509197 72.640 > 13 53 Ge 0.16077790011295 0.20588076541576 0.24913207509197 72.640 > 14 54 Ge 0.66077790011295 0.20588076541576 0.24913207509197 72.640 > 14 55 Ge 0.16077790011295 0.20588076541576 0.74913207509197 72.640 > 14 56 Ge 0.66077790011295 0.20588076541576 0.74913207509197 72.640 > 14 57 Ge 0.33922209988705 0.70588076541576 0.00086792490803 72.640 > 15 58 Ge 0.83922209988705 0.70588076541576 0.00086792490803 72.640 > 15 59 Ge 0.33922209988705 0.70588076541576 0.50086792490803 72.640 > 15 60 Ge 0.83922209988705 0.70588076541576 0.50086792490803 72.640 > 15 61 Ge 0.33922209988705 0.79411923458424 0.25086792490803 72.640 > 16 62 Ge 0.83922209988705 0.79411923458424 0.25086792490803 72.640 > 16 63 Ge 0.33922209988705 0.79411923458424 0.75086792490803 72.640 > 16 64 Ge 0.83922209988705 0.79411923458424 0.75086792490803 72.640 > 16 *65 Sn 0.06396431737382 0.58587600808898 0.13470513819535 118.710 > 17 66 Sn 0.56396431737382 0.58587600808898 0.13470513819535 118.710 > 17 67 Sn 0.06396431737382 0.58587600808898 0.63470513819535 118.710 > 17 68 Sn 0.56396431737382 0.58587600808898 0.63470513819535 118.710 > 17 69 Sn 0.43603568262618 0.08587600808898 0.11529486180465 118.710 > 18 70 Sn 0.93603568262618 0.08587600808898 0.11529486180465 118.710 > 18 71 Sn 0.43603568262618 0.08587600808898 0.61529486180465 118.710 > 18 72 Sn 0.93603568262618 0.08587600808898 0.61529486180465 118.710 > 18 73 Sn 0.43603568262618 0.41412399191102 0.36529486180465 118.710 > 19 74 Sn 0.93603568262618 0.41412399191102 0.36529486180465 118.710 > 19 75 Sn 0.43603568262618 0.41412399191102 0.86529486180465 118.710 > 19 76 Sn 0.93603568262618 0.41412399191102 0.86529486180465 118.710 > 19 77 Sn 0.06396431737382 0.91412399191102 0.38470513819535 118.710 > 20 78 Sn 0.56396431737382 0.91412399191102 0.38470513819535 118.710 > 20 79 Sn 0.06396431737382 0.91412399191102 0.88470513819535 118.710 > 20 80 Sn 0.56396431737382 0.91412399191102 0.88470513819535 118.710 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.1182668 0.0000000 -0.1651102 0.0000000 9.0509647 0.0000000 -0.1651610 0.0000000 9.0766866 -------------------------- Born effective charges -------------------------- 1 S -2.0876649 -0.3795958 0.0652169 0.0257436 -3.5056959 0.5518930 0.3261513 0.4118069 -1.7197991 2 S -1.8471052 -0.1982188 0.2238505 -0.3261347 -0.8137609 -0.3786487 0.3329902 -0.4752483 -2.5794489 3 S -1.8471052 0.1982188 0.2238505 0.3261347 -0.8137609 0.3786487 0.3329902 0.4752483 -2.5794489 4 S -1.8471052 -0.1982188 0.2238505 -0.3261347 -0.8137609 -0.3786487 0.3329902 -0.4752483 -2.5794489 5 S -2.0673101 0.2968453 0.0352242 0.1140844 -2.3137670 -0.5845875 -0.1509484 -0.5549454 -2.1202207 6 S -2.0673101 -0.2968453 0.0352242 -0.1140844 -2.3137670 0.5845875 -0.1509484 0.5549454 -2.1202207 7 S -2.0673101 0.2968453 0.0352242 0.1140844 -2.3137670 -0.5845875 -0.1509484 -0.5549454 -2.1202207 8 S -2.0673101 -0.2968453 0.0352242 -0.1140844 -2.3137670 0.5845875 -0.1509484 0.5549454 -2.1202207 9 S -2.0876649 -0.3795958 0.0652169 0.0257436 -3.5056959 0.5518930 0.3261513 0.4118069 -1.7197991 10 S -2.0876649 0.3795958 0.0652169 -0.0257436 -3.5056959 -0.5518930 0.3261513 -0.4118069 -1.7197991 11 S -2.0876649 0.3795958 0.0652169 -0.0257436 -3.5056959 -0.5518930 0.3261513 -0.4118069 -1.7197991 12 S -1.8471052 0.1982188 0.2238505 0.3261347 -0.8137609 0.3786487 0.3329902 0.4752483 -2.5794489 13 Ge 2.9680584 -0.7304253 0.2822413 0.0599437 2.5858088 -0.1928084 -0.1229553 0.2783467 2.9590608 14 Ge 2.9680584 0.7304253 0.2822413 -0.0599437 2.5858088 0.1928084 -0.1229553 -0.2783467 2.9590608 15 Ge 2.9680584 -0.7304253 0.2822413 0.0599437 2.5858088 -0.1928084 -0.1229553 0.2783467 2.9590608 16 Ge 2.9680584 0.7304253 0.2822413 -0.0599437 2.5858088 0.1928084 -0.1229553 -0.2783467 2.9590608 17 Sn 3.0340218 -0.0877543 -0.6065329 -0.6401157 4.0474150 0.0190037 -0.3852377 -0.0824004 3.4604079 18 Sn 3.0340218 0.0877543 -0.6065329 0.6401157 4.0474150 -0.0190037 -0.3852377 0.0824004 3.4604079 19 Sn 3.0340218 -0.0877543 -0.6065329 -0.6401157 4.0474150 0.0190037 -0.3852377 -0.0824004 3.4604079 20 Sn 3.0340218 0.0877543 -0.6065329 0.6401157 4.0474150 -0.0190037 -0.3852377 0.0824004 3.4604079 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.332 Solver_block: 200 / 640 - Time: 2.344 Solver_block: 300 / 640 - Time: 2.339 Solver_block: 400 / 640 - Time: 2.331 Solver_block: 500 / 640 - Time: 2.312 Solver_block: 600 / 640 - Time: 2.307 Solver_block: 640 / 640 - Time: 0.960 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.040 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:39:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:39:46]------------------------- 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: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.190557251380814 0.000000000000000 0.000000000000000 b 0.000000000000000 10.002131909999997 0.000000000000000 c -1.781116924684798 0.000000000000000 6.590659280837546 Atomic positions (fractional): 1 S 0.94817001345155 0.82172081816928 0.07686968498785 32.065 2 S 0.51664462140673 0.21172510690797 0.81677674973036 32.065 3 S 0.48335537859327 0.71172510690797 0.68322325026964 32.065 4 S 0.48335537859327 0.78827489309203 0.18322325026964 32.065 5 S 0.22373594080647 0.50026236015445 0.90985874073621 32.065 6 S 0.77626405919353 0.00026236015445 0.59014125926378 32.065 7 S 0.77626405919353 0.49973763984555 0.09014125926378 32.065 8 S 0.22373594080647 0.99973763984555 0.40985874073621 32.065 9 S 0.05182998654845 0.17827918183072 0.92313031501214 32.065 10 S 0.94817001345155 0.67827918183072 0.57686968498785 32.065 11 S 0.05182998654845 0.32172081816928 0.42313031501214 32.065 12 S 0.51664462140673 0.28827489309203 0.31677674973036 32.065 13 Ge 0.32155580022590 0.29411923458424 0.99826415018393 72.640 14 Ge 0.32155580022590 0.20588076541576 0.49826415018393 72.640 15 Ge 0.67844419977410 0.70588076541576 0.00173584981606 72.640 16 Ge 0.67844419977410 0.79411923458424 0.50173584981606 72.640 17 Sn 0.12792863474764 0.58587600808898 0.26941027639071 118.710 18 Sn 0.87207136525236 0.08587600808898 0.23058972360929 118.710 19 Sn 0.87207136525236 0.41412399191102 0.73058972360929 118.710 20 Sn 0.12792863474764 0.91412399191102 0.76941027639071 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.381114502761628 0.000000000000000 0.000000000000000 b 0.000000000000000 10.002131909999997 0.000000000000000 c -3.562233849369592 0.000000000000000 13.181318561675077 Atomic positions (fractional): 1 S 0.47408500672578 0.82172081816928 0.03843484249393 32.065 > 1 2 S 0.97408500672578 0.82172081816928 0.03843484249393 32.065 > 1 3 S 0.47408500672578 0.82172081816928 0.53843484249393 32.065 > 1 4 S 0.97408500672578 0.82172081816928 0.53843484249393 32.065 > 1 5 S 0.25832231070336 0.21172510690797 0.40838837486518 32.065 > 5 6 S 0.75832231070336 0.21172510690797 0.40838837486518 32.065 > 5 7 S 0.25832231070336 0.21172510690797 0.90838837486518 32.065 > 5 8 S 0.75832231070336 0.21172510690797 0.90838837486518 32.065 > 5 9 S 0.24167768929663 0.71172510690797 0.34161162513482 32.065 > 9 10 S 0.74167768929664 0.71172510690797 0.34161162513482 32.065 > 9 11 S 0.24167768929663 0.71172510690797 0.84161162513482 32.065 > 9 12 S 0.74167768929664 0.71172510690797 0.84161162513482 32.065 > 9 13 S 0.24167768929663 0.78827489309203 0.09161162513482 32.065 > 13 14 S 0.74167768929664 0.78827489309203 0.09161162513482 32.065 > 13 15 S 0.24167768929663 0.78827489309203 0.59161162513482 32.065 > 13 16 S 0.74167768929664 0.78827489309203 0.59161162513482 32.065 > 13 17 S 0.11186797040323 0.50026236015445 0.45492937036811 32.065 > 17 18 S 0.61186797040323 0.50026236015445 0.45492937036811 32.065 > 17 19 S 0.11186797040323 0.50026236015445 0.95492937036811 32.065 > 17 20 S 0.61186797040323 0.50026236015445 0.95492937036811 32.065 > 17 21 S 0.38813202959677 0.00026236015445 0.29507062963189 32.065 > 21 22 S 0.88813202959677 0.00026236015445 0.29507062963189 32.065 > 21 23 S 0.38813202959677 0.00026236015445 0.79507062963189 32.065 > 21 24 S 0.88813202959677 0.00026236015445 0.79507062963189 32.065 > 21 25 S 0.38813202959677 0.49973763984555 0.04507062963189 32.065 > 25 26 S 0.88813202959677 0.49973763984555 0.04507062963189 32.065 > 25 27 S 0.38813202959677 0.49973763984555 0.54507062963189 32.065 > 25 28 S 0.88813202959677 0.49973763984555 0.54507062963189 32.065 > 25 29 S 0.11186797040323 0.99973763984555 0.20492937036811 32.065 > 29 30 S 0.61186797040323 0.99973763984555 0.20492937036811 32.065 > 29 31 S 0.11186797040323 0.99973763984555 0.70492937036811 32.065 > 29 32 S 0.61186797040323 0.99973763984555 0.70492937036811 32.065 > 29 33 S 0.02591499327422 0.17827918183072 0.46156515750607 32.065 > 33 34 S 0.52591499327422 0.17827918183072 0.46156515750607 32.065 > 33 35 S 0.02591499327422 0.17827918183072 0.96156515750607 32.065 > 33 36 S 0.52591499327422 0.17827918183072 0.96156515750607 32.065 > 33 37 S 0.47408500672578 0.67827918183072 0.28843484249393 32.065 > 37 38 S 0.97408500672578 0.67827918183072 0.28843484249393 32.065 > 37 39 S 0.47408500672578 0.67827918183072 0.78843484249393 32.065 > 37 40 S 0.97408500672578 0.67827918183072 0.78843484249393 32.065 > 37 41 S 0.02591499327422 0.32172081816928 0.21156515750607 32.065 > 41 42 S 0.52591499327422 0.32172081816928 0.21156515750607 32.065 > 41 43 S 0.02591499327422 0.32172081816928 0.71156515750607 32.065 > 41 44 S 0.52591499327422 0.32172081816928 0.71156515750607 32.065 > 41 45 S 0.25832231070336 0.28827489309203 0.15838837486518 32.065 > 45 46 S 0.75832231070336 0.28827489309203 0.15838837486518 32.065 > 45 47 S 0.25832231070336 0.28827489309203 0.65838837486518 32.065 > 45 48 S 0.75832231070336 0.28827489309203 0.65838837486518 32.065 > 45 49 Ge 0.16077790011295 0.29411923458424 0.49913207509197 72.640 > 49 50 Ge 0.66077790011295 0.29411923458424 0.49913207509197 72.640 > 49 51 Ge 0.16077790011295 0.29411923458424 0.99913207509197 72.640 > 49 52 Ge 0.66077790011295 0.29411923458424 0.99913207509197 72.640 > 49 53 Ge 0.16077790011295 0.20588076541576 0.24913207509197 72.640 > 53 54 Ge 0.66077790011295 0.20588076541576 0.24913207509197 72.640 > 53 55 Ge 0.16077790011295 0.20588076541576 0.74913207509197 72.640 > 53 56 Ge 0.66077790011295 0.20588076541576 0.74913207509197 72.640 > 53 57 Ge 0.33922209988705 0.70588076541576 0.00086792490803 72.640 > 57 58 Ge 0.83922209988705 0.70588076541576 0.00086792490803 72.640 > 57 59 Ge 0.33922209988705 0.70588076541576 0.50086792490803 72.640 > 57 60 Ge 0.83922209988705 0.70588076541576 0.50086792490803 72.640 > 57 61 Ge 0.33922209988705 0.79411923458424 0.25086792490803 72.640 > 61 62 Ge 0.83922209988705 0.79411923458424 0.25086792490803 72.640 > 61 63 Ge 0.33922209988705 0.79411923458424 0.75086792490803 72.640 > 61 64 Ge 0.83922209988705 0.79411923458424 0.75086792490803 72.640 > 61 65 Sn 0.06396431737382 0.58587600808898 0.13470513819535 118.710 > 65 66 Sn 0.56396431737382 0.58587600808898 0.13470513819535 118.710 > 65 67 Sn 0.06396431737382 0.58587600808898 0.63470513819535 118.710 > 65 68 Sn 0.56396431737382 0.58587600808898 0.63470513819535 118.710 > 65 69 Sn 0.43603568262618 0.08587600808898 0.11529486180465 118.710 > 69 70 Sn 0.93603568262618 0.08587600808898 0.11529486180465 118.710 > 69 71 Sn 0.43603568262618 0.08587600808898 0.61529486180465 118.710 > 69 72 Sn 0.93603568262618 0.08587600808898 0.61529486180465 118.710 > 69 73 Sn 0.43603568262618 0.41412399191102 0.36529486180465 118.710 > 73 74 Sn 0.93603568262618 0.41412399191102 0.36529486180465 118.710 > 73 75 Sn 0.43603568262618 0.41412399191102 0.86529486180465 118.710 > 73 76 Sn 0.93603568262618 0.41412399191102 0.86529486180465 118.710 > 73 77 Sn 0.06396431737382 0.91412399191102 0.38470513819535 118.710 > 77 78 Sn 0.56396431737382 0.91412399191102 0.38470513819535 118.710 > 77 79 Sn 0.06396431737382 0.91412399191102 0.88470513819535 118.710 > 77 80 Sn 0.56396431737382 0.91412399191102 0.88470513819535 118.710 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.1182668 0.0000000 -0.1651102 0.0000000 9.0509647 0.0000000 -0.1651610 0.0000000 9.0766866 -------------------------- Born effective charges -------------------------- 1 S -2.0876649 -0.3795958 0.0652169 0.0257436 -3.5056959 0.5518930 0.3261513 0.4118069 -1.7197991 2 S -1.8471052 -0.1982188 0.2238505 -0.3261347 -0.8137609 -0.3786487 0.3329902 -0.4752483 -2.5794489 3 S -1.8471052 0.1982188 0.2238505 0.3261347 -0.8137609 0.3786487 0.3329902 0.4752483 -2.5794489 4 S -1.8471052 -0.1982188 0.2238505 -0.3261347 -0.8137609 -0.3786487 0.3329902 -0.4752483 -2.5794489 5 S -2.0673101 0.2968453 0.0352242 0.1140844 -2.3137670 -0.5845875 -0.1509484 -0.5549454 -2.1202207 6 S -2.0673101 -0.2968453 0.0352242 -0.1140844 -2.3137670 0.5845875 -0.1509484 0.5549454 -2.1202207 7 S -2.0673101 0.2968453 0.0352242 0.1140844 -2.3137670 -0.5845875 -0.1509484 -0.5549454 -2.1202207 8 S -2.0673101 -0.2968453 0.0352242 -0.1140844 -2.3137670 0.5845875 -0.1509484 0.5549454 -2.1202207 9 S -2.0876649 -0.3795958 0.0652169 0.0257436 -3.5056959 0.5518930 0.3261513 0.4118069 -1.7197991 10 S -2.0876649 0.3795958 0.0652169 -0.0257436 -3.5056959 -0.5518930 0.3261513 -0.4118069 -1.7197991 11 S -2.0876649 0.3795958 0.0652169 -0.0257436 -3.5056959 -0.5518930 0.3261513 -0.4118069 -1.7197991 12 S -1.8471052 0.1982188 0.2238505 0.3261347 -0.8137609 0.3786487 0.3329902 0.4752483 -2.5794489 13 Ge 2.9680584 -0.7304253 0.2822413 0.0599437 2.5858088 -0.1928084 -0.1229553 0.2783467 2.9590608 14 Ge 2.9680584 0.7304253 0.2822413 -0.0599437 2.5858088 0.1928084 -0.1229553 -0.2783467 2.9590608 15 Ge 2.9680584 -0.7304253 0.2822413 0.0599437 2.5858088 -0.1928084 -0.1229553 0.2783467 2.9590608 16 Ge 2.9680584 0.7304253 0.2822413 -0.0599437 2.5858088 0.1928084 -0.1229553 -0.2783467 2.9590608 17 Sn 3.0340218 -0.0877543 -0.6065329 -0.6401157 4.0474150 0.0190037 -0.3852377 -0.0824004 3.4604079 18 Sn 3.0340218 0.0877543 -0.6065329 0.6401157 4.0474150 -0.0190037 -0.3852377 0.0824004 3.4604079 19 Sn 3.0340218 -0.0877543 -0.6065329 -0.6401157 4.0474150 0.0190037 -0.3852377 -0.0824004 3.4604079 20 Sn 3.0340218 0.0877543 -0.6065329 0.6401157 4.0474150 -0.0190037 -0.3852377 0.0824004 3.4604079 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:40:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:40:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.190557251380814 0.000000000000000 0.000000000000000 b 0.000000000000000 10.002131909999997 0.000000000000000 c -1.781116924684798 0.000000000000000 6.590659280837546 Atomic positions (fractional): 1 S 0.94817001345155 0.82172081816928 0.07686968498785 32.065 2 S 0.51664462140673 0.21172510690797 0.81677674973036 32.065 3 S 0.48335537859327 0.71172510690797 0.68322325026964 32.065 4 S 0.48335537859327 0.78827489309203 0.18322325026964 32.065 5 S 0.22373594080647 0.50026236015445 0.90985874073621 32.065 6 S 0.77626405919353 0.00026236015445 0.59014125926378 32.065 7 S 0.77626405919353 0.49973763984555 0.09014125926378 32.065 8 S 0.22373594080647 0.99973763984555 0.40985874073621 32.065 9 S 0.05182998654845 0.17827918183072 0.92313031501214 32.065 10 S 0.94817001345155 0.67827918183072 0.57686968498785 32.065 11 S 0.05182998654845 0.32172081816928 0.42313031501214 32.065 12 S 0.51664462140673 0.28827489309203 0.31677674973036 32.065 13 Ge 0.32155580022590 0.29411923458424 0.99826415018393 72.640 14 Ge 0.32155580022590 0.20588076541576 0.49826415018393 72.640 15 Ge 0.67844419977410 0.70588076541576 0.00173584981606 72.640 16 Ge 0.67844419977410 0.79411923458424 0.50173584981606 72.640 17 Sn 0.12792863474764 0.58587600808898 0.26941027639071 118.710 18 Sn 0.87207136525236 0.08587600808898 0.23058972360929 118.710 19 Sn 0.87207136525236 0.41412399191102 0.73058972360929 118.710 20 Sn 0.12792863474764 0.91412399191102 0.76941027639071 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.381114502761628 0.000000000000000 0.000000000000000 b 0.000000000000000 10.002131909999997 0.000000000000000 c -3.562233849369592 0.000000000000000 13.181318561675077 Atomic positions (fractional): 1 S 0.47408500672578 0.82172081816928 0.03843484249393 32.065 > 1 2 S 0.97408500672578 0.82172081816928 0.03843484249393 32.065 > 1 3 S 0.47408500672578 0.82172081816928 0.53843484249393 32.065 > 1 4 S 0.97408500672578 0.82172081816928 0.53843484249393 32.065 > 1 5 S 0.25832231070336 0.21172510690797 0.40838837486518 32.065 > 5 6 S 0.75832231070336 0.21172510690797 0.40838837486518 32.065 > 5 7 S 0.25832231070336 0.21172510690797 0.90838837486518 32.065 > 5 8 S 0.75832231070336 0.21172510690797 0.90838837486518 32.065 > 5 9 S 0.24167768929663 0.71172510690797 0.34161162513482 32.065 > 9 10 S 0.74167768929664 0.71172510690797 0.34161162513482 32.065 > 9 11 S 0.24167768929663 0.71172510690797 0.84161162513482 32.065 > 9 12 S 0.74167768929664 0.71172510690797 0.84161162513482 32.065 > 9 13 S 0.24167768929663 0.78827489309203 0.09161162513482 32.065 > 13 14 S 0.74167768929664 0.78827489309203 0.09161162513482 32.065 > 13 15 S 0.24167768929663 0.78827489309203 0.59161162513482 32.065 > 13 16 S 0.74167768929664 0.78827489309203 0.59161162513482 32.065 > 13 17 S 0.11186797040323 0.50026236015445 0.45492937036811 32.065 > 17 18 S 0.61186797040323 0.50026236015445 0.45492937036811 32.065 > 17 19 S 0.11186797040323 0.50026236015445 0.95492937036811 32.065 > 17 20 S 0.61186797040323 0.50026236015445 0.95492937036811 32.065 > 17 21 S 0.38813202959677 0.00026236015445 0.29507062963189 32.065 > 21 22 S 0.88813202959677 0.00026236015445 0.29507062963189 32.065 > 21 23 S 0.38813202959677 0.00026236015445 0.79507062963189 32.065 > 21 24 S 0.88813202959677 0.00026236015445 0.79507062963189 32.065 > 21 25 S 0.38813202959677 0.49973763984555 0.04507062963189 32.065 > 25 26 S 0.88813202959677 0.49973763984555 0.04507062963189 32.065 > 25 27 S 0.38813202959677 0.49973763984555 0.54507062963189 32.065 > 25 28 S 0.88813202959677 0.49973763984555 0.54507062963189 32.065 > 25 29 S 0.11186797040323 0.99973763984555 0.20492937036811 32.065 > 29 30 S 0.61186797040323 0.99973763984555 0.20492937036811 32.065 > 29 31 S 0.11186797040323 0.99973763984555 0.70492937036811 32.065 > 29 32 S 0.61186797040323 0.99973763984555 0.70492937036811 32.065 > 29 33 S 0.02591499327422 0.17827918183072 0.46156515750607 32.065 > 33 34 S 0.52591499327422 0.17827918183072 0.46156515750607 32.065 > 33 35 S 0.02591499327422 0.17827918183072 0.96156515750607 32.065 > 33 36 S 0.52591499327422 0.17827918183072 0.96156515750607 32.065 > 33 37 S 0.47408500672578 0.67827918183072 0.28843484249393 32.065 > 37 38 S 0.97408500672578 0.67827918183072 0.28843484249393 32.065 > 37 39 S 0.47408500672578 0.67827918183072 0.78843484249393 32.065 > 37 40 S 0.97408500672578 0.67827918183072 0.78843484249393 32.065 > 37 41 S 0.02591499327422 0.32172081816928 0.21156515750607 32.065 > 41 42 S 0.52591499327422 0.32172081816928 0.21156515750607 32.065 > 41 43 S 0.02591499327422 0.32172081816928 0.71156515750607 32.065 > 41 44 S 0.52591499327422 0.32172081816928 0.71156515750607 32.065 > 41 45 S 0.25832231070336 0.28827489309203 0.15838837486518 32.065 > 45 46 S 0.75832231070336 0.28827489309203 0.15838837486518 32.065 > 45 47 S 0.25832231070336 0.28827489309203 0.65838837486518 32.065 > 45 48 S 0.75832231070336 0.28827489309203 0.65838837486518 32.065 > 45 49 Ge 0.16077790011295 0.29411923458424 0.49913207509197 72.640 > 49 50 Ge 0.66077790011295 0.29411923458424 0.49913207509197 72.640 > 49 51 Ge 0.16077790011295 0.29411923458424 0.99913207509197 72.640 > 49 52 Ge 0.66077790011295 0.29411923458424 0.99913207509197 72.640 > 49 53 Ge 0.16077790011295 0.20588076541576 0.24913207509197 72.640 > 53 54 Ge 0.66077790011295 0.20588076541576 0.24913207509197 72.640 > 53 55 Ge 0.16077790011295 0.20588076541576 0.74913207509197 72.640 > 53 56 Ge 0.66077790011295 0.20588076541576 0.74913207509197 72.640 > 53 57 Ge 0.33922209988705 0.70588076541576 0.00086792490803 72.640 > 57 58 Ge 0.83922209988705 0.70588076541576 0.00086792490803 72.640 > 57 59 Ge 0.33922209988705 0.70588076541576 0.50086792490803 72.640 > 57 60 Ge 0.83922209988705 0.70588076541576 0.50086792490803 72.640 > 57 61 Ge 0.33922209988705 0.79411923458424 0.25086792490803 72.640 > 61 62 Ge 0.83922209988705 0.79411923458424 0.25086792490803 72.640 > 61 63 Ge 0.33922209988705 0.79411923458424 0.75086792490803 72.640 > 61 64 Ge 0.83922209988705 0.79411923458424 0.75086792490803 72.640 > 61 65 Sn 0.06396431737382 0.58587600808898 0.13470513819535 118.710 > 65 66 Sn 0.56396431737382 0.58587600808898 0.13470513819535 118.710 > 65 67 Sn 0.06396431737382 0.58587600808898 0.63470513819535 118.710 > 65 68 Sn 0.56396431737382 0.58587600808898 0.63470513819535 118.710 > 65 69 Sn 0.43603568262618 0.08587600808898 0.11529486180465 118.710 > 69 70 Sn 0.93603568262618 0.08587600808898 0.11529486180465 118.710 > 69 71 Sn 0.43603568262618 0.08587600808898 0.61529486180465 118.710 > 69 72 Sn 0.93603568262618 0.08587600808898 0.61529486180465 118.710 > 69 73 Sn 0.43603568262618 0.41412399191102 0.36529486180465 118.710 > 73 74 Sn 0.93603568262618 0.41412399191102 0.36529486180465 118.710 > 73 75 Sn 0.43603568262618 0.41412399191102 0.86529486180465 118.710 > 73 76 Sn 0.93603568262618 0.41412399191102 0.86529486180465 118.710 > 73 77 Sn 0.06396431737382 0.91412399191102 0.38470513819535 118.710 > 77 78 Sn 0.56396431737382 0.91412399191102 0.38470513819535 118.710 > 77 79 Sn 0.06396431737382 0.91412399191102 0.88470513819535 118.710 > 77 80 Sn 0.56396431737382 0.91412399191102 0.88470513819535 118.710 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.1182668 0.0000000 -0.1651102 0.0000000 9.0509647 0.0000000 -0.1651610 0.0000000 9.0766866 -------------------------- Born effective charges -------------------------- 1 S -2.0876649 -0.3795958 0.0652169 0.0257436 -3.5056959 0.5518930 0.3261513 0.4118069 -1.7197991 2 S -1.8471052 -0.1982188 0.2238505 -0.3261347 -0.8137609 -0.3786487 0.3329902 -0.4752483 -2.5794489 3 S -1.8471052 0.1982188 0.2238505 0.3261347 -0.8137609 0.3786487 0.3329902 0.4752483 -2.5794489 4 S -1.8471052 -0.1982188 0.2238505 -0.3261347 -0.8137609 -0.3786487 0.3329902 -0.4752483 -2.5794489 5 S -2.0673101 0.2968453 0.0352242 0.1140844 -2.3137670 -0.5845875 -0.1509484 -0.5549454 -2.1202207 6 S -2.0673101 -0.2968453 0.0352242 -0.1140844 -2.3137670 0.5845875 -0.1509484 0.5549454 -2.1202207 7 S -2.0673101 0.2968453 0.0352242 0.1140844 -2.3137670 -0.5845875 -0.1509484 -0.5549454 -2.1202207 8 S -2.0673101 -0.2968453 0.0352242 -0.1140844 -2.3137670 0.5845875 -0.1509484 0.5549454 -2.1202207 9 S -2.0876649 -0.3795958 0.0652169 0.0257436 -3.5056959 0.5518930 0.3261513 0.4118069 -1.7197991 10 S -2.0876649 0.3795958 0.0652169 -0.0257436 -3.5056959 -0.5518930 0.3261513 -0.4118069 -1.7197991 11 S -2.0876649 0.3795958 0.0652169 -0.0257436 -3.5056959 -0.5518930 0.3261513 -0.4118069 -1.7197991 12 S -1.8471052 0.1982188 0.2238505 0.3261347 -0.8137609 0.3786487 0.3329902 0.4752483 -2.5794489 13 Ge 2.9680584 -0.7304253 0.2822413 0.0599437 2.5858088 -0.1928084 -0.1229553 0.2783467 2.9590608 14 Ge 2.9680584 0.7304253 0.2822413 -0.0599437 2.5858088 0.1928084 -0.1229553 -0.2783467 2.9590608 15 Ge 2.9680584 -0.7304253 0.2822413 0.0599437 2.5858088 -0.1928084 -0.1229553 0.2783467 2.9590608 16 Ge 2.9680584 0.7304253 0.2822413 -0.0599437 2.5858088 0.1928084 -0.1229553 -0.2783467 2.9590608 17 Sn 3.0340218 -0.0877543 -0.6065329 -0.6401157 4.0474150 0.0190037 -0.3852377 -0.0824004 3.4604079 18 Sn 3.0340218 0.0877543 -0.6065329 0.6401157 4.0474150 -0.0190037 -0.3852377 0.0824004 3.4604079 19 Sn 3.0340218 -0.0877543 -0.6065329 -0.6401157 4.0474150 0.0190037 -0.3852377 -0.0824004 3.4604079 20 Sn 3.0340218 0.0877543 -0.6065329 0.6401157 4.0474150 -0.0190037 -0.3852377 0.0824004 3.4604079 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 8 ] 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: 0.53, Number of G-points: 299, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/87) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 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 1.214 ( 0.000 0.000 0.000) 0.000 1.380 ( 0.000 0.000 0.000) 0.000 1.520 ( 0.000 0.000 0.000) 0.000 1.554 ( 0.000 0.000 0.000) 0.000 1.816 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.114 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.338 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.302 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.846 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 4.008 ( 0.000 0.000 0.000) 0.000 4.144 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 5.374 ( 0.000 0.000 0.000) 0.000 5.519 ( 0.000 0.000 0.000) 0.000 5.526 ( 0.000 0.000 0.000) 0.000 5.589 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 6.399 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.530 ( 0.000 0.000 0.000) 0.000 6.717 ( 0.000 0.000 0.000) 0.000 7.154 ( 0.000 0.000 0.000) 0.000 7.228 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 9.762 ( 0.000 0.000 0.000) 0.000 9.789 ( 0.000 0.000 0.000) 0.000 10.047 ( 0.000 0.000 0.000) 0.000 10.082 ( 0.000 0.000 0.000) 0.000 10.289 ( 0.000 0.000 0.000) 0.000 10.374 ( 0.000 0.000 0.000) 0.000 10.432 ( 0.000 0.000 0.000) 0.000 10.515 ( 0.000 0.000 0.000) 0.000 11.077 ( 0.000 0.000 0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 11.308 ( 0.000 0.000 0.000) 0.000 11.612 ( 0.000 0.000 0.000) 0.000 11.625 ( 0.000 0.000 0.000) 0.000 11.882 ( 0.000 0.000 0.000) 0.000 12.034 ( 0.000 0.000 0.000) 0.000 12.140 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/87) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 16.341 0.000 6.059) 17.428 0.453 ( 25.930 0.000 -16.058) 30.500 0.534 ( 20.849 0.000 16.140) 26.366 1.222 ( 0.633 0.000 -0.353) 0.725 1.326 ( -5.174 0.000 1.443) 5.372 1.516 ( -0.159 0.000 1.050) 1.062 1.566 ( 1.208 0.000 -1.189) 1.695 1.790 ( -2.330 0.000 -0.440) 2.371 1.869 ( 1.596 0.000 -3.424) 3.778 1.981 ( -2.438 0.000 0.580) 2.506 2.055 ( -2.759 0.000 -0.585) 2.820 2.155 ( 0.958 0.000 3.550) 3.677 2.160 ( 1.818 0.000 -1.620) 2.435 2.183 ( 2.660 0.000 -8.185) 8.606 2.346 ( 1.443 0.000 -2.801) 3.150 2.494 ( 3.007 0.000 4.967) 5.806 2.512 ( 1.033 0.000 1.088) 1.501 3.121 ( 0.047 0.000 -0.813) 0.815 3.154 ( -2.233 0.000 3.548) 4.192 3.293 ( -1.621 0.000 0.526) 1.704 3.377 ( 2.375 0.000 -3.220) 4.001 3.647 ( -3.281 0.000 3.657) 4.913 3.813 ( -2.345 0.000 1.832) 2.976 3.951 ( 5.146 0.000 -1.374) 5.327 4.069 ( -4.453 0.000 6.999) 8.295 4.087 ( -3.787 0.000 -2.221) 4.391 4.198 ( 0.201 0.000 -0.499) 0.538 4.479 ( 3.294 0.000 -11.830) 12.280 4.503 ( -0.446 0.000 -0.074) 0.452 4.705 ( -0.865 0.000 0.393) 0.950 4.800 ( -1.164 0.000 0.907) 1.476 5.345 ( -0.701 0.000 -6.139) 6.179 5.526 ( -0.494 0.000 4.064) 4.094 5.591 ( 0.953 0.000 -4.140) 4.249 5.682 ( 6.360 0.000 -15.850) 17.078 5.755 ( -1.260 0.000 2.232) 2.563 6.358 ( -3.319 0.000 -1.498) 3.641 6.520 ( -0.693 0.000 -0.965) 1.188 6.535 ( 0.577 0.000 0.770) 0.962 6.734 ( 1.822 0.000 -0.489) 1.886 7.188 ( 1.869 0.000 3.701) 4.146 7.268 ( -3.070 0.000 -0.519) 3.114 7.295 ( -0.627 0.000 -0.613) 0.877 7.701 ( -3.660 0.000 13.194) 13.692 9.747 ( -1.077 0.000 1.466) 1.819 9.810 ( 0.254 0.000 2.863) 2.874 10.044 ( -0.521 0.000 0.745) 0.909 10.081 ( -0.032 0.000 0.106) 0.111 10.288 ( -0.247 0.000 -1.884) 1.900 10.380 ( 0.380 0.000 -0.331) 0.504 10.436 ( 0.506 0.000 -0.278) 0.578 10.519 ( 0.204 0.000 0.567) 0.602 11.077 ( 0.177 0.000 -0.024) 0.179 11.175 ( -0.461 0.000 0.207) 0.506 11.299 ( -1.054 0.000 -0.129) 1.062 11.589 ( -2.587 0.000 -0.208) 2.595 11.628 ( 0.541 0.000 -0.472) 0.718 11.874 ( -0.717 0.000 -0.101) 0.724 12.167 ( 2.223 0.000 0.616) 2.307 12.641 ( 2.159 0.000 -7.008) 7.333 ======================= Grid point 2 (3/87) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 12.760 0.000 4.387) 13.493 0.835 ( 19.468 0.000 -11.664) 22.695 0.970 ( 15.347 0.000 9.672) 18.140 1.220 ( -5.443 0.000 1.324) 5.601 1.227 ( -0.077 0.000 0.402) 0.409 1.533 ( 0.793 0.000 1.018) 1.290 1.584 ( 1.105 0.000 -0.661) 1.288 1.728 ( -3.228 0.000 -0.736) 3.311 1.855 ( -2.191 0.000 -1.111) 2.457 1.958 ( -0.255 0.000 2.887) 2.898 1.997 ( -3.124 0.000 0.856) 3.239 2.182 ( 2.266 0.000 -8.456) 8.755 2.193 ( 1.084 0.000 3.768) 3.921 2.198 ( 2.428 0.000 -1.793) 3.018 2.357 ( 1.421 0.000 -4.534) 4.751 2.540 ( 1.004 0.000 1.389) 1.714 2.588 ( 2.261 0.000 5.765) 6.193 3.112 ( -0.384 0.000 -4.989) 5.004 3.139 ( -1.022 0.000 8.226) 8.290 3.224 ( -4.971 0.000 -0.973) 5.065 3.394 ( 0.747 0.000 -2.143) 2.269 3.608 ( -2.047 0.000 2.616) 3.322 3.769 ( -2.959 0.000 0.268) 2.971 3.995 ( 0.466 0.000 -1.735) 1.796 4.014 ( -3.350 0.000 2.414) 4.129 4.082 ( 3.466 0.000 0.989) 3.604 4.200 ( 0.671 0.000 -0.751) 1.007 4.483 ( 1.656 0.000 -4.894) 5.166 4.495 ( -0.219 0.000 0.301) 0.372 4.680 ( -1.700 0.000 0.278) 1.722 4.780 ( -1.231 0.000 0.995) 1.583 5.301 ( -0.380 0.000 -5.210) 5.223 5.530 ( -2.700 0.000 7.268) 7.753 5.578 ( 1.686 0.000 -8.436) 8.603 5.703 ( 1.941 0.000 -6.818) 7.089 5.747 ( -1.718 0.000 5.354) 5.623 6.274 ( -3.798 0.000 -1.095) 3.953 6.502 ( -0.587 0.000 -0.576) 0.822 6.560 ( 1.283 0.000 1.256) 1.796 6.773 ( 2.120 0.000 -0.936) 2.317 7.196 ( -3.356 0.000 -0.709) 3.430 7.234 ( 0.150 0.000 2.926) 2.930 7.295 ( 1.129 0.000 0.764) 1.363 7.696 ( -1.515 0.000 4.334) 4.591 9.745 ( 0.036 0.000 1.665) 1.666 9.818 ( -0.431 0.000 0.662) 0.791 10.037 ( -0.570 0.000 0.949) 1.107 10.081 ( -0.067 0.000 0.032) 0.074 10.277 ( -0.072 0.000 -0.558) 0.563 10.376 ( -0.516 0.000 -0.721) 0.887 10.451 ( 1.089 0.000 0.086) 1.092 10.523 ( -0.276 0.000 0.440) 0.520 11.089 ( 1.042 0.000 0.237) 1.069 11.167 ( -0.383 0.000 0.381) 0.540 11.259 ( -2.639 0.000 -0.997) 2.821 11.531 ( -2.748 0.000 -0.281) 2.762 11.644 ( 1.152 0.000 -0.163) 1.164 11.857 ( -0.898 0.000 -0.114) 0.905 12.218 ( 2.235 0.000 0.663) 2.331 12.648 ( 1.275 0.000 -3.011) 3.269 ======================= Grid point 3 (4/87) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 4.468 0.000 1.483) 4.708 1.074 ( 8.234 0.000 -4.387) 9.330 1.154 ( -1.401 0.000 0.669) 1.552 1.212 ( 1.103 0.000 0.494) 1.209 1.239 ( 5.277 0.000 1.925) 5.617 1.531 ( -1.675 0.000 1.253) 2.091 1.604 ( 0.958 0.000 0.216) 0.982 1.667 ( -2.097 0.000 -0.738) 2.223 1.806 ( -1.369 0.000 -0.398) 1.426 1.948 ( -1.796 0.000 0.502) 1.865 1.978 ( 0.256 0.000 2.020) 2.036 2.187 ( 1.524 0.000 -3.792) 4.087 2.232 ( 1.468 0.000 -1.248) 1.926 2.236 ( 0.990 0.000 3.025) 3.183 2.349 ( 0.187 0.000 -3.556) 3.561 2.563 ( 0.569 0.000 0.730) 0.925 2.620 ( -0.629 0.000 2.349) 2.432 3.092 ( -0.066 0.000 -0.467) 0.472 3.125 ( -3.136 0.000 -0.985) 3.287 3.169 ( 0.490 0.000 2.378) 2.428 3.395 ( 0.133 0.000 -0.261) 0.293 3.591 ( -0.711 0.000 0.750) 1.034 3.716 ( -1.665 0.000 -0.247) 1.683 3.973 ( -1.326 0.000 0.476) 1.408 4.008 ( 0.709 0.000 -0.398) 0.813 4.129 ( 0.843 0.000 0.613) 1.042 4.228 ( 1.540 0.000 -0.053) 1.541 4.489 ( 0.589 0.000 -1.511) 1.622 4.496 ( -0.019 0.000 0.292) 0.293 4.651 ( -0.963 0.000 0.050) 0.964 4.766 ( -0.471 0.000 0.376) 0.602 5.278 ( -0.033 0.000 -1.871) 1.871 5.500 ( -1.802 0.000 1.626) 2.427 5.578 ( 0.890 0.000 -2.475) 2.630 5.706 ( 1.791 0.000 -4.806) 5.129 5.732 ( -2.409 0.000 4.990) 5.541 6.213 ( -1.670 0.000 -0.310) 1.698 6.493 ( -0.100 0.000 -0.196) 0.220 6.588 ( 0.741 0.000 0.676) 1.003 6.799 ( 0.806 0.000 -0.573) 0.989 7.143 ( -1.376 0.000 -0.329) 1.415 7.238 ( -0.196 0.000 0.625) 0.655 7.327 ( 0.797 0.000 1.045) 1.314 7.690 ( -0.496 0.000 1.089) 1.196 9.761 ( 0.615 0.000 1.103) 1.263 9.804 ( -0.801 0.000 -0.310) 0.858 10.033 ( -0.220 0.000 0.490) 0.537 10.079 ( -0.050 0.000 -0.087) 0.100 10.280 ( 0.328 0.000 0.071) 0.336 10.357 ( -0.731 0.000 -0.561) 0.921 10.477 ( 1.219 0.000 0.325) 1.262 10.511 ( -0.881 0.000 -0.025) 0.882 11.125 ( 2.329 0.000 0.866) 2.485 11.164 ( -0.085 0.000 0.224) 0.239 11.191 ( -3.158 0.000 -1.374) 3.444 11.489 ( -1.132 0.000 -0.151) 1.142 11.663 ( 0.632 0.000 0.042) 0.633 11.842 ( -0.408 0.000 -0.045) 0.411 12.253 ( 0.869 0.000 0.264) 0.908 12.656 ( 0.497 0.000 -0.910) 1.037 ======================= Grid point 7 (5/87) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 0.000 21.303 0.000) 21.303 0.370 ( 0.000 18.208 0.000) 18.208 0.414 ( 0.000 19.815 0.000) 19.815 1.220 ( 0.000 -1.836 0.000) 1.836 1.316 ( 0.000 -8.127 0.000) 8.127 1.558 ( 0.000 -1.679 0.000) 1.679 1.675 ( 0.000 6.486 0.000) 6.486 1.809 ( 0.000 -2.442 0.000) 2.442 1.865 ( 0.000 1.446 0.000) 1.446 1.961 ( 0.000 -7.204 0.000) 7.204 2.057 ( 0.000 3.499 0.000) 3.499 2.175 ( 0.000 1.027 0.000) 1.027 2.265 ( 0.000 11.444 0.000) 11.444 2.327 ( 0.000 -0.875 0.000) 0.875 2.415 ( 0.000 -3.348 0.000) 3.348 2.511 ( 0.000 0.708 0.000) 0.708 2.602 ( 0.000 4.623 0.000) 4.623 3.057 ( 0.000 -0.882 0.000) 0.882 3.130 ( 0.000 0.572 0.000) 0.572 3.406 ( 0.000 5.057 0.000) 5.057 3.559 ( 0.000 -8.295 0.000) 8.295 3.683 ( 0.000 9.032 0.000) 9.032 3.883 ( 0.000 1.553 0.000) 1.553 3.942 ( 0.000 -6.632 0.000) 6.632 3.964 ( 0.000 -0.945 0.000) 0.945 4.117 ( 0.000 -2.672 0.000) 2.672 4.235 ( 0.000 4.327 0.000) 4.327 4.492 ( 0.000 3.195 0.000) 3.195 4.592 ( 0.000 -3.979 0.000) 3.979 4.687 ( 0.000 -2.260 0.000) 2.260 5.255 ( 0.000 -1.156 0.000) 1.156 5.414 ( 0.000 -5.458 0.000) 5.458 5.462 ( 0.000 6.658 0.000) 6.658 5.609 ( 0.000 3.269 0.000) 3.269 5.803 ( 0.000 4.130 0.000) 4.130 6.257 ( 0.000 3.324 0.000) 3.324 6.383 ( 0.000 -2.025 0.000) 2.025 6.435 ( 0.000 -8.383 0.000) 8.383 6.540 ( 0.000 1.069 0.000) 1.069 6.713 ( 0.000 -0.874 0.000) 0.874 7.166 ( 0.000 -1.231 0.000) 1.231 7.172 ( 0.000 -3.407 0.000) 3.407 7.305 ( 0.000 0.236 0.000) 0.236 7.332 ( 0.000 0.874 0.000) 0.874 9.765 ( 0.000 0.301 0.000) 0.301 9.787 ( 0.000 -0.196 0.000) 0.196 10.070 ( 0.000 0.068 0.000) 0.068 10.080 ( 0.000 -0.152 0.000) 0.152 10.302 ( 0.000 1.226 0.000) 1.226 10.370 ( 0.000 -0.444 0.000) 0.444 10.436 ( 0.000 0.404 0.000) 0.404 10.517 ( 0.000 -1.355 0.000) 1.355 11.196 ( 0.000 1.618 0.000) 1.618 11.301 ( 0.000 -0.724 0.000) 0.724 11.572 ( 0.000 0.232 0.000) 0.232 11.606 ( 0.000 -0.520 0.000) 0.520 11.775 ( 0.000 0.311 0.000) 0.311 11.856 ( 0.000 -2.140 0.000) 2.140 12.057 ( 0.000 1.819 0.000) 1.819 12.135 ( 0.000 -0.469 0.000) 0.469 ======================= Grid point 8 (6/87) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 11.968 8.009 2.407) 14.600 0.591 ( 17.305 10.600 -9.140) 22.257 0.677 ( 14.601 11.172 11.202) 21.529 1.224 ( -2.811 -7.344 0.377) 7.873 1.258 ( -0.523 0.068 -0.075) 0.533 1.568 ( 0.045 -1.395 0.370) 1.444 1.667 ( -1.200 6.843 2.460) 7.371 1.791 ( -3.390 -1.347 1.845) 4.088 1.857 ( 1.851 0.295 -3.963) 4.384 1.991 ( 1.553 -3.905 -0.991) 4.318 2.033 ( -1.636 2.464 -1.632) 3.378 2.156 ( -0.912 2.023 -2.476) 3.325 2.255 ( -0.922 8.130 -0.849) 8.226 2.315 ( -2.341 0.022 0.861) 2.495 2.374 ( -0.393 1.005 -2.365) 2.600 2.517 ( 0.289 0.078 1.042) 1.084 2.588 ( 1.273 9.085 2.630) 9.544 3.084 ( -0.437 -2.580 5.951) 6.501 3.130 ( 1.327 0.786 -5.046) 5.277 3.413 ( 0.489 6.000 0.613) 6.051 3.550 ( -1.341 -6.321 2.262) 6.846 3.616 ( -4.881 13.631 -3.057) 14.798 3.870 ( -2.818 2.124 2.312) 4.219 3.926 ( 2.813 -3.038 0.248) 4.148 3.980 ( 0.009 -4.203 -2.752) 5.024 4.104 ( -2.465 -1.322 2.670) 3.867 4.224 ( -0.619 3.310 -0.385) 3.389 4.491 ( -0.078 2.648 -0.265) 2.662 4.549 ( -2.994 -2.103 -1.514) 3.960 4.672 ( -1.240 -2.067 -0.904) 2.575 5.071 ( -11.015 13.377 0.061) 17.328 5.402 ( -0.372 2.027 -8.930) 9.165 5.465 ( -0.830 -0.760 7.185) 7.273 5.627 ( 2.052 2.684 -3.295) 4.719 5.790 ( -0.995 4.752 -3.490) 5.980 5.862 ( -9.075 13.702 -9.058) 18.766 6.340 ( -3.479 -1.947 -1.551) 4.278 6.428 ( -0.496 -8.437 -1.842) 8.650 6.540 ( 0.617 0.568 0.610) 1.037 6.720 ( 0.860 -1.689 -0.815) 2.063 7.188 ( 2.161 -0.096 3.447) 4.069 7.256 ( -2.320 -1.004 -0.450) 2.568 7.298 ( -0.684 0.010 -0.291) 0.744 7.499 ( 6.184 -12.406 10.857) 17.607 9.753 ( -0.762 0.609 0.973) 1.377 9.804 ( 0.452 -0.558 1.695) 1.841 10.054 ( -0.915 0.568 0.467) 1.174 10.083 ( -0.196 -0.086 0.550) 0.590 10.301 ( 0.022 1.282 -1.061) 1.664 10.374 ( 0.356 -0.504 -0.509) 0.800 10.440 ( 0.526 0.362 -0.444) 0.777 10.513 ( -0.167 -0.989 0.267) 1.038 11.186 ( -1.130 1.900 0.294) 2.229 11.263 ( -6.254 4.605 -0.587) 7.789 11.329 ( -6.177 7.599 -1.814) 9.959 11.581 ( -2.762 -0.795 -0.324) 2.892 11.632 ( -0.199 0.595 -0.543) 0.830 11.825 ( -2.261 -4.224 -0.160) 4.794 12.184 ( 4.266 1.604 0.641) 4.603 12.454 ( 12.707 -10.833 -1.333) 16.751 ======================= Grid point 9 (7/87) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 12.303 -1.371 2.505) 12.630 0.883 ( 15.771 3.880 -8.676) 18.413 0.987 ( 10.652 1.426 7.340) 13.015 1.145 ( -3.218 -4.861 0.606) 5.861 1.307 ( 2.922 2.683 1.594) 4.275 1.555 ( -1.443 -3.912 0.513) 4.201 1.653 ( -2.327 8.075 3.492) 9.100 1.732 ( -1.706 1.637 -0.732) 2.475 1.862 ( -0.288 1.174 -3.859) 4.044 1.982 ( -2.210 -0.790 -1.542) 2.808 1.997 ( -0.068 2.711 1.219) 2.973 2.148 ( 1.662 0.937 -2.096) 2.835 2.226 ( -0.703 2.566 -1.633) 3.122 2.301 ( 0.591 1.661 0.437) 1.816 2.386 ( 1.704 3.262 -2.347) 4.365 2.531 ( 0.296 -0.822 1.710) 1.920 2.645 ( 1.204 5.910 3.116) 6.788 3.073 ( -1.947 -3.711 0.927) 4.292 3.153 ( 2.341 3.239 0.730) 4.063 3.403 ( -3.164 10.419 -0.067) 10.889 3.496 ( -3.360 10.571 -0.631) 11.110 3.554 ( 0.135 -3.684 -0.166) 3.690 3.833 ( -2.511 4.745 1.375) 5.542 3.949 ( -0.278 -4.803 0.571) 4.845 3.981 ( 0.132 -2.464 -0.761) 2.583 4.092 ( 1.298 0.095 1.725) 2.161 4.211 ( -0.301 1.587 -0.897) 1.848 4.477 ( -1.275 -1.348 0.656) 1.968 4.509 ( 0.219 0.917 -2.190) 2.384 4.635 ( -1.783 -2.239 -0.805) 2.973 4.941 ( -3.466 12.473 0.626) 12.961 5.358 ( 0.482 4.661 -6.948) 8.381 5.475 ( -1.473 -4.122 5.486) 7.018 5.619 ( -0.826 5.145 -5.126) 7.309 5.742 ( 0.431 2.509 -4.128) 4.850 5.791 ( -2.159 4.750 3.517) 6.292 6.255 ( -3.816 -2.279 -0.950) 4.545 6.406 ( -0.648 -8.952 -1.319) 9.072 6.564 ( 1.056 0.283 1.342) 1.731 6.738 ( 1.276 -3.362 -1.013) 3.736 7.194 ( -2.596 0.114 -0.649) 2.679 7.236 ( -0.226 0.032 2.088) 2.100 7.295 ( 1.107 0.126 1.080) 1.552 7.590 ( 0.639 -9.068 4.315) 10.063 9.752 ( 0.019 0.704 1.464) 1.624 9.812 ( -0.369 -0.649 0.680) 1.009 10.043 ( -0.613 0.547 0.948) 1.255 10.080 ( -0.273 -0.172 0.252) 0.410 10.294 ( -0.047 1.574 -0.597) 1.684 10.370 ( -0.407 -0.510 -0.892) 1.105 10.454 ( 1.033 0.256 0.021) 1.064 10.513 ( -0.161 -0.935 0.248) 0.980 11.154 ( -1.303 4.811 0.177) 4.988 11.183 ( -1.240 1.861 0.145) 2.241 11.268 ( -2.533 1.287 -0.903) 2.981 11.516 ( -3.088 -1.602 -0.429) 3.505 11.641 ( 0.916 -0.167 -0.252) 0.965 11.789 ( -1.234 -5.416 -0.147) 5.557 12.268 ( 3.393 4.108 0.587) 5.361 12.584 ( 3.595 -5.497 -1.831) 6.819 ======================= Grid point 10 (8/87) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 4.427 -4.851 0.979) 6.640 1.085 ( 6.582 0.733 -3.120) 7.321 1.111 ( -0.623 0.648 0.624) 1.094 1.178 ( 6.148 -4.880 0.938) 7.906 1.345 ( -0.493 2.647 1.048) 2.889 1.529 ( -1.017 -7.516 0.481) 7.600 1.613 ( -1.959 9.924 0.810) 10.148 1.722 ( -0.099 4.618 0.990) 4.724 1.815 ( -1.436 2.139 -2.211) 3.395 1.952 ( -0.524 -0.781 0.573) 1.101 2.002 ( 0.015 2.530 -0.168) 2.536 2.183 ( 1.783 0.319 -0.199) 1.822 2.213 ( -0.020 0.508 -1.164) 1.270 2.327 ( 1.287 0.053 0.640) 1.439 2.395 ( 0.252 6.465 -1.981) 6.767 2.547 ( 0.414 -1.516 1.331) 2.059 2.644 ( -1.441 3.091 0.403) 3.434 3.054 ( -0.220 -3.770 0.393) 3.797 3.204 ( 1.451 5.740 1.113) 6.024 3.316 ( -2.913 14.103 -0.770) 14.421 3.470 ( -0.477 7.446 0.566) 7.483 3.555 ( 0.028 -3.055 -0.551) 3.105 3.797 ( -1.142 6.923 0.414) 7.029 3.928 ( -1.242 -4.018 0.138) 4.208 3.997 ( 1.034 -2.892 0.294) 3.085 4.124 ( 0.525 0.304 0.333) 0.692 4.213 ( 0.674 -0.975 -0.172) 1.198 4.465 ( -0.322 -3.338 0.342) 3.371 4.510 ( 0.357 1.635 -0.784) 1.848 4.604 ( -0.865 -2.258 -0.283) 2.435 4.903 ( -0.952 10.858 0.373) 10.906 5.343 ( 0.442 6.402 -2.622) 6.932 5.476 ( -0.557 -6.933 2.984) 7.568 5.570 ( -1.068 6.516 -3.143) 7.313 5.741 ( 0.465 0.785 -1.408) 1.678 5.772 ( -1.111 4.364 1.935) 4.902 6.195 ( -1.626 -2.244 -0.209) 2.779 6.393 ( -0.190 -9.557 -0.502) 9.572 6.588 ( 0.548 -0.007 0.797) 0.967 6.752 ( 0.534 -4.498 -0.621) 4.572 7.153 ( -1.017 0.974 -0.320) 1.444 7.229 ( -0.445 -0.744 0.307) 0.920 7.328 ( 0.788 0.297 1.114) 1.396 7.607 ( -0.051 -7.430 1.127) 7.516 9.766 ( 0.478 0.407 0.949) 1.138 9.800 ( -0.672 -0.377 -0.174) 0.790 10.039 ( -0.224 0.535 0.500) 0.766 10.077 ( -0.123 -0.289 0.009) 0.314 10.296 ( 0.242 1.406 -0.011) 1.427 10.354 ( -0.593 -0.279 -0.593) 0.884 10.479 ( 1.191 0.068 0.328) 1.238 10.505 ( -0.768 -0.613 -0.108) 0.989 11.158 ( 1.196 2.509 0.552) 2.834 11.172 ( -0.289 0.671 0.288) 0.785 11.209 ( -2.550 2.111 -1.086) 3.484 11.469 ( -1.241 -2.120 -0.216) 2.466 11.657 ( 0.527 -0.553 -0.010) 0.764 11.773 ( -0.378 -5.374 -0.054) 5.387 12.317 ( 1.187 5.165 0.227) 5.304 12.619 ( 0.937 -3.498 -0.663) 3.682 ======================= Grid point 14 (9/87) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 0.000 14.727 0.000) 14.727 0.732 ( 0.000 16.911 0.000) 16.911 0.771 ( 0.000 15.326 0.000) 15.326 1.054 ( 0.000 -13.050 0.000) 13.050 1.200 ( 0.000 -2.289 0.000) 2.289 1.376 ( 0.000 -15.132 0.000) 15.132 1.792 ( 0.000 4.590 0.000) 4.590 1.812 ( 0.000 2.482 0.000) 2.482 1.862 ( 0.000 -1.056 0.000) 1.056 1.866 ( 0.000 -2.831 0.000) 2.831 2.110 ( 0.000 2.007 0.000) 2.007 2.158 ( 0.000 -2.396 0.000) 2.396 2.319 ( 0.000 0.384 0.000) 0.384 2.347 ( 0.000 -2.537 0.000) 2.537 2.441 ( 0.000 4.642 0.000) 4.642 2.501 ( 0.000 -1.753 0.000) 1.753 2.837 ( 0.000 15.183 0.000) 15.183 3.020 ( 0.000 -3.622 0.000) 3.622 3.171 ( 0.000 4.679 0.000) 4.679 3.355 ( 0.000 -11.711 0.000) 11.711 3.552 ( 0.000 9.249 0.000) 9.249 3.757 ( 0.000 -10.542 0.000) 10.542 3.878 ( 0.000 9.221 0.000) 9.221 3.908 ( 0.000 1.088 0.000) 1.088 3.938 ( 0.000 -1.379 0.000) 1.379 4.034 ( 0.000 -5.820 0.000) 5.820 4.356 ( 0.000 6.900 0.000) 6.900 4.489 ( 0.000 -6.107 0.000) 6.107 4.561 ( 0.000 3.537 0.000) 3.537 4.630 ( 0.000 -3.282 0.000) 3.282 5.257 ( 0.000 1.470 0.000) 1.470 5.315 ( 0.000 -4.176 0.000) 4.176 5.589 ( 0.000 4.983 0.000) 4.983 5.642 ( 0.000 -0.327 0.000) 0.327 5.942 ( 0.000 10.050 0.000) 10.050 6.188 ( 0.000 -13.369 0.000) 13.369 6.323 ( 0.000 2.744 0.000) 2.744 6.364 ( 0.000 -1.638 0.000) 1.638 6.587 ( 0.000 3.728 0.000) 3.728 6.668 ( 0.000 -3.597 0.000) 3.597 7.130 ( 0.000 -0.645 0.000) 0.645 7.139 ( 0.000 -1.215 0.000) 1.215 7.314 ( 0.000 0.632 0.000) 0.632 7.329 ( 0.000 -0.774 0.000) 0.774 9.773 ( 0.000 0.441 0.000) 0.441 9.781 ( 0.000 -0.379 0.000) 0.379 10.072 ( 0.000 0.161 0.000) 0.161 10.076 ( 0.000 -0.212 0.000) 0.212 10.331 ( 0.000 1.512 0.000) 1.512 10.356 ( 0.000 -0.937 0.000) 0.937 10.451 ( 0.000 1.193 0.000) 1.193 10.483 ( 0.000 -1.867 0.000) 1.867 11.237 ( 0.000 2.222 0.000) 2.222 11.277 ( 0.000 -1.658 0.000) 1.658 11.580 ( 0.000 0.537 0.000) 0.537 11.593 ( 0.000 -0.743 0.000) 0.743 11.787 ( 0.000 0.917 0.000) 0.917 11.814 ( 0.000 -1.817 0.000) 1.817 12.093 ( 0.000 1.652 0.000) 1.652 12.120 ( 0.000 -1.035 0.000) 1.035 ======================= Grid point 15 (10/87) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 0.473 17.649 1.276) 17.701 0.808 ( 7.396 8.215 -3.507) 11.597 0.902 ( 6.250 8.235 2.631) 10.667 1.018 ( -1.742 -11.583 -1.474) 11.806 1.238 ( 3.470 0.467 1.320) 3.742 1.407 ( 0.873 -12.766 3.187) 13.187 1.783 ( -1.317 4.321 3.855) 5.938 1.808 ( -0.483 2.129 -0.300) 2.203 1.867 ( 2.231 0.664 -2.226) 3.221 1.906 ( 3.094 -3.344 -4.321) 6.278 2.105 ( -0.343 3.093 0.281) 3.125 2.158 ( 0.223 -1.774 -0.695) 1.919 2.307 ( -1.034 0.268 -0.575) 1.213 2.324 ( -2.209 -0.943 -1.015) 2.608 2.429 ( -0.451 4.263 0.570) 4.324 2.495 ( -0.722 -2.335 1.314) 2.775 2.830 ( -0.539 12.827 -0.704) 12.857 3.009 ( -1.272 -5.490 -0.658) 5.674 3.196 ( 2.301 6.573 1.417) 7.106 3.380 ( 1.639 -10.015 2.551) 10.464 3.564 ( 0.960 8.781 0.508) 8.848 3.740 ( -1.399 -6.988 -0.972) 7.192 3.867 ( -0.770 5.087 -0.400) 5.160 3.923 ( -0.010 -0.012 -0.804) 0.804 3.931 ( 0.987 1.502 0.020) 1.797 4.039 ( -0.325 -5.150 1.737) 5.445 4.331 ( -2.182 6.584 0.119) 6.937 4.459 ( -2.764 -5.793 0.229) 6.422 4.557 ( -0.411 3.315 -0.041) 3.340 4.621 ( -0.822 -3.007 -0.501) 3.157 5.222 ( -2.861 4.841 0.165) 5.625 5.320 ( 0.369 -5.304 -1.336) 5.482 5.576 ( -1.376 5.962 0.856) 6.178 5.648 ( 0.783 -1.125 -0.180) 1.382 5.928 ( -1.099 9.568 -1.488) 9.745 6.101 ( -9.676 3.253 -1.713) 10.351 6.213 ( -2.841 -5.423 -5.206) 8.037 6.295 ( -5.301 -4.538 -1.750) 7.194 6.574 ( 0.148 3.205 -0.670) 3.277 6.659 ( -0.230 -4.309 -1.156) 4.467 7.191 ( 3.145 0.737 3.634) 4.862 7.224 ( 2.162 -2.228 2.808) 4.186 7.299 ( -0.743 0.416 -0.134) 0.862 7.334 ( 1.508 -4.029 2.491) 4.971 9.769 ( -0.300 0.971 0.832) 1.314 9.789 ( 0.182 -0.923 1.055) 1.414 10.065 ( -0.618 0.585 0.553) 1.015 10.077 ( -0.306 -0.520 0.678) 0.907 10.333 ( 0.251 1.656 -0.702) 1.816 10.360 ( 0.351 -0.995 -0.644) 1.236 10.453 ( 0.350 1.082 -0.324) 1.183 10.483 ( 0.098 -1.749 -0.047) 1.752 11.227 ( -1.016 2.148 0.425) 2.414 11.264 ( -1.513 -1.337 0.332) 2.046 11.490 ( -8.384 5.431 -1.820) 10.154 11.556 ( -3.935 -1.872 -0.752) 4.422 11.661 ( -2.805 2.548 -0.745) 3.862 11.734 ( -4.125 -4.443 -0.573) 6.089 12.227 ( 7.654 2.745 0.671) 8.159 12.301 ( 11.306 -5.048 0.479) 12.391 ======================= Grid point 16 (11/87) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 5.018 10.953 2.168) 12.241 0.950 ( 4.483 -4.690 2.549) 6.971 0.990 ( 6.265 1.545 -5.627) 8.562 1.046 ( 4.955 -2.165 -1.392) 5.584 1.322 ( 2.548 0.876 3.575) 4.477 1.413 ( -1.875 -7.812 2.951) 8.559 1.792 ( 0.205 4.405 3.932) 5.908 1.801 ( 0.033 3.757 -0.648) 3.813 1.887 ( 1.172 0.972 -4.960) 5.189 1.921 ( 0.524 -3.211 -3.936) 5.106 2.102 ( -0.544 4.868 0.850) 4.971 2.162 ( 0.763 -0.817 -0.922) 1.449 2.259 ( -2.678 1.584 1.010) 3.271 2.297 ( 0.149 -1.382 -1.716) 2.209 2.442 ( 1.132 2.537 0.815) 2.896 2.497 ( -0.030 -2.570 1.990) 3.250 2.807 ( -1.394 8.914 -0.832) 9.061 2.967 ( -1.870 -6.793 -1.255) 7.157 3.271 ( 3.614 8.032 2.652) 9.198 3.431 ( 1.699 -6.934 2.294) 7.499 3.593 ( 1.487 8.547 0.223) 8.678 3.697 ( -2.043 3.014 -1.366) 3.889 3.849 ( -0.869 -2.096 0.027) 2.269 3.898 ( -1.877 -3.203 -1.904) 4.172 3.951 ( 0.158 4.683 1.674) 4.976 4.054 ( 1.286 -4.147 1.713) 4.667 4.285 ( -2.119 5.499 -0.386) 5.906 4.401 ( -2.662 -5.439 0.214) 6.060 4.548 ( -0.340 2.438 -0.155) 2.467 4.595 ( -1.294 -2.133 -0.691) 2.588 5.164 ( -2.642 8.883 0.128) 9.268 5.315 ( 0.231 -6.580 -2.079) 6.904 5.550 ( -1.631 8.106 1.312) 8.372 5.669 ( 1.198 -2.704 0.071) 2.958 5.868 ( -3.762 10.855 -3.442) 11.993 5.947 ( -3.551 10.063 0.166) 10.672 6.139 ( -3.609 -10.208 -1.995) 11.009 6.196 ( -2.933 -9.864 -1.272) 10.369 6.583 ( 0.573 2.092 0.374) 2.201 6.653 ( 0.050 -4.523 -0.786) 4.591 7.207 ( -1.667 1.144 -0.634) 2.119 7.229 ( -0.934 -0.819 0.323) 1.284 7.313 ( 1.782 2.233 2.345) 3.696 7.409 ( 2.259 -7.563 3.585) 8.669 9.771 ( -0.078 1.122 1.106) 1.577 9.794 ( -0.229 -1.085 0.819) 1.379 10.057 ( -0.578 0.791 0.907) 1.335 10.072 ( -0.463 -0.645 0.657) 1.031 10.331 ( -0.040 1.755 -0.788) 1.924 10.357 ( -0.188 -0.900 -0.997) 1.356 10.464 ( 0.772 0.810 -0.040) 1.120 10.488 ( 0.280 -1.464 0.025) 1.491 11.206 ( -1.299 1.520 0.529) 2.068 11.222 ( -2.395 0.191 0.074) 2.404 11.348 ( -4.373 6.174 -1.045) 7.637 11.459 ( -4.225 -4.307 -0.776) 6.083 11.645 ( 0.250 0.868 -0.390) 0.984 11.689 ( -0.791 -3.804 -0.329) 3.899 12.359 ( 4.969 4.897 0.338) 6.984 12.466 ( 5.430 -5.785 -0.363) 7.942 ======================= Grid point 17 (12/87) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 1.673 6.538 1.016) 6.825 1.012 ( 1.715 -10.232 1.685) 10.510 1.115 ( 5.767 1.239 -3.699) 6.962 1.131 ( 3.270 0.000 -0.999) 3.420 1.348 ( -1.151 -0.328 2.257) 2.555 1.385 ( -1.573 -4.851 1.554) 5.332 1.797 ( 0.024 5.513 -0.700) 5.557 1.826 ( 0.816 4.626 3.229) 5.701 1.864 ( -0.702 1.685 -3.732) 4.155 1.906 ( 0.086 -3.160 -1.595) 3.541 2.088 ( -0.805 5.632 0.308) 5.698 2.174 ( 0.471 -2.242 -0.275) 2.308 2.234 ( -0.588 2.326 0.714) 2.503 2.298 ( 0.405 -2.785 -0.665) 2.892 2.470 ( 0.990 1.489 0.528) 1.864 2.505 ( -0.059 -2.309 0.687) 2.410 2.771 ( -1.200 8.721 -0.717) 8.832 2.941 ( -0.370 -7.456 -0.230) 7.469 3.341 ( 1.756 7.175 1.283) 7.497 3.466 ( 0.908 -4.969 0.880) 5.128 3.606 ( -0.116 12.845 -0.454) 12.853 3.662 ( -0.670 9.374 -0.439) 9.409 3.822 ( -1.491 -6.019 -0.048) 6.202 3.866 ( -0.203 -9.023 -0.440) 9.036 3.956 ( -0.156 7.698 0.811) 7.742 4.090 ( 1.034 -4.860 0.690) 5.016 4.251 ( -0.893 5.010 -0.330) 5.100 4.367 ( -0.802 -5.882 0.115) 5.937 4.543 ( -0.048 1.596 -0.105) 1.600 4.572 ( -0.575 -1.306 -0.237) 1.447 5.128 ( -1.006 10.346 0.065) 10.395 5.311 ( 0.212 -8.402 -0.926) 8.456 5.531 ( -0.733 10.212 0.663) 10.260 5.691 ( 0.817 -4.588 0.083) 4.661 5.791 ( -2.072 13.346 -0.955) 13.540 5.915 ( -0.528 10.039 -0.145) 10.054 6.073 ( -1.846 -11.376 -0.343) 11.530 6.157 ( -0.779 -12.304 -0.566) 12.341 6.595 ( 0.268 1.063 0.438) 1.181 6.649 ( -0.056 -4.583 -0.487) 4.609 7.179 ( -0.629 1.574 -0.327) 1.726 7.210 ( -0.607 -1.286 -0.149) 1.430 7.352 ( 0.766 2.582 1.175) 2.939 7.448 ( 0.578 -7.066 1.165) 7.185 9.777 ( 0.118 0.654 0.583) 0.884 9.790 ( -0.324 -0.633 0.164) 0.730 10.052 ( -0.228 0.780 0.447) 0.928 10.067 ( -0.208 -0.644 0.245) 0.720 10.327 ( 0.005 1.425 -0.264) 1.449 10.346 ( -0.303 -0.546 -0.534) 0.822 10.480 ( 0.732 0.202 0.185) 0.782 10.490 ( -0.136 -0.725 -0.062) 0.740 11.186 ( -0.732 0.602 0.166) 0.962 11.188 ( -0.831 0.524 -0.002) 0.983 11.291 ( -1.249 5.518 -0.328) 5.667 11.400 ( -1.400 -4.773 -0.290) 4.982 11.650 ( 0.256 0.246 -0.110) 0.371 11.681 ( -0.098 -3.127 -0.121) 3.130 12.425 ( 1.598 5.417 0.095) 5.648 12.530 ( 1.536 -5.023 -0.216) 5.257 ======================= Grid point 35 (13/87) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 0.059 0.000 19.663) 19.663 0.444 ( -1.636 0.000 23.448) 23.505 0.731 ( -10.568 0.000 34.477) 36.060 1.222 ( -0.609 0.000 0.585) 0.845 1.368 ( 2.414 0.000 -1.422) 2.801 1.561 ( 1.265 0.000 3.727) 3.936 1.564 ( -2.277 0.000 0.472) 2.325 1.790 ( 0.769 0.000 -2.194) 2.325 1.870 ( 1.258 0.000 -6.944) 7.057 2.052 ( -0.177 0.000 -2.162) 2.169 2.119 ( -4.771 0.000 5.677) 7.415 2.126 ( 3.237 0.000 -0.739) 3.320 2.179 ( -6.410 0.000 8.200) 10.408 2.310 ( -8.760 0.000 17.857) 19.890 2.347 ( -2.233 0.000 -0.297) 2.252 2.519 ( 0.576 0.000 2.555) 2.619 2.529 ( 1.547 0.000 7.519) 7.677 2.985 ( 3.947 0.000 -6.311) 7.443 3.065 ( -0.175 0.000 -5.542) 5.545 3.314 ( 0.265 0.000 1.075) 1.108 3.425 ( -0.789 0.000 5.808) 5.861 3.770 ( 0.116 0.000 7.511) 7.512 3.819 ( 4.762 0.000 -3.014) 5.636 3.882 ( -2.945 0.000 -0.190) 2.951 3.988 ( 3.241 0.000 -3.649) 4.880 4.117 ( -2.306 0.000 -2.656) 3.518 4.169 ( 0.459 0.000 -2.831) 2.868 4.511 ( -0.126 0.000 -0.775) 0.785 4.714 ( -0.021 0.000 0.507) 0.508 4.854 ( -0.534 0.000 5.183) 5.211 4.870 ( -4.897 0.000 3.924) 6.276 5.320 ( 5.007 0.000 -14.054) 14.919 5.389 ( -8.566 0.000 1.343) 8.671 5.666 ( -4.222 0.000 -3.957) 5.786 5.671 ( -1.401 0.000 2.462) 2.833 5.950 ( -20.566 0.000 7.916) 22.037 6.358 ( 0.082 0.000 -4.016) 4.017 6.536 ( -0.025 0.000 0.143) 0.145 6.570 ( -6.896 0.000 -3.443) 7.708 6.671 ( 0.830 0.000 -4.503) 4.579 7.191 ( 3.009 0.000 3.581) 4.677 7.299 ( -0.709 0.000 -0.359) 0.795 7.302 ( -0.737 0.000 -0.241) 0.776 7.514 ( 23.093 0.000 -0.361) 23.096 9.811 ( -0.949 0.000 4.475) 4.575 9.963 ( 2.575 0.000 -6.835) 7.304 10.001 ( 1.682 0.000 -6.538) 6.751 10.198 ( 2.595 0.000 -2.606) 3.678 10.326 ( -1.720 0.000 -3.186) 3.621 10.537 ( -2.393 0.000 8.921) 9.237 10.619 ( -1.916 0.000 8.730) 8.937 10.658 ( -21.706 0.000 4.541) 22.176 11.092 ( -0.588 0.000 1.677) 1.777 11.199 ( -0.424 0.000 2.008) 2.052 11.307 ( 0.116 0.000 -0.113) 0.162 11.595 ( 0.747 0.000 -1.793) 1.943 11.602 ( -0.016 0.000 -2.154) 2.154 11.856 ( 0.612 0.000 -2.647) 2.717 12.008 ( 13.324 0.000 -4.379) 14.026 12.093 ( 2.141 0.000 -4.812) 5.267 ======================= Grid point 36 (14/87) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 3.495 0.000 18.854) 19.175 0.595 ( 8.132 0.000 14.356) 16.499 0.934 ( 8.835 0.000 22.077) 23.779 1.217 ( 0.023 0.000 -0.344) 0.344 1.362 ( -3.319 0.000 2.100) 3.927 1.536 ( 0.478 0.000 -2.267) 2.317 1.573 ( -1.061 0.000 5.563) 5.663 1.772 ( -1.821 0.000 -1.010) 2.082 1.870 ( 2.348 0.000 -5.137) 5.648 2.039 ( -0.773 0.000 -0.287) 0.825 2.098 ( -3.983 0.000 9.208) 10.032 2.151 ( 1.315 0.000 2.882) 3.168 2.166 ( 1.909 0.000 -2.124) 2.856 2.256 ( -7.042 0.000 19.046) 20.306 2.315 ( -0.470 0.000 -1.032) 1.134 2.547 ( 0.648 0.000 2.781) 2.855 2.621 ( 3.181 0.000 7.150) 7.826 2.959 ( 0.390 0.000 -8.761) 8.770 3.142 ( 6.511 0.000 -4.806) 8.093 3.290 ( -3.251 0.000 -1.183) 3.459 3.434 ( -1.283 0.000 7.574) 7.682 3.749 ( -4.719 0.000 6.568) 8.088 3.821 ( -2.466 0.000 -2.015) 3.184 3.920 ( 4.972 0.000 -0.923) 5.057 4.021 ( 1.474 0.000 -6.561) 6.724 4.042 ( -1.304 0.000 -2.179) 2.539 4.167 ( 0.654 0.000 -2.512) 2.596 4.496 ( -0.504 0.000 -1.521) 1.603 4.630 ( -8.695 0.000 10.169) 13.379 4.786 ( -4.454 0.000 8.101) 9.244 4.861 ( -1.760 0.000 5.857) 6.115 5.191 ( -3.224 0.000 -3.711) 4.916 5.354 ( 5.314 0.000 -13.246) 14.272 5.645 ( -2.372 0.000 1.777) 2.964 5.657 ( 0.882 0.000 2.187) 2.359 5.858 ( -1.405 0.000 8.101) 8.222 6.319 ( -1.994 0.000 -2.567) 3.250 6.499 ( -1.107 0.000 -2.028) 2.310 6.543 ( 0.950 0.000 -0.266) 0.986 6.680 ( 2.600 0.000 -4.884) 5.533 7.253 ( -3.284 0.000 -0.904) 3.406 7.270 ( -0.245 0.000 2.289) 2.302 7.289 ( 1.920 0.000 2.098) 2.844 7.708 ( 2.623 0.000 -5.068) 5.707 9.811 ( -1.322 0.000 4.678) 4.861 9.971 ( 1.808 0.000 -6.516) 6.763 9.998 ( 1.698 0.000 -6.784) 6.993 10.064 ( -12.887 0.000 10.187) 16.427 10.276 ( -0.577 0.000 0.257) 0.632 10.384 ( -3.427 0.000 3.449) 4.862 10.544 ( -1.843 0.000 9.375) 9.554 10.627 ( -2.084 0.000 8.674) 8.921 11.092 ( -0.181 0.000 1.465) 1.476 11.197 ( -0.809 0.000 2.114) 2.263 11.293 ( -1.559 0.000 -0.352) 1.598 11.568 ( -2.097 0.000 -1.981) 2.885 11.599 ( 1.107 0.000 -2.283) 2.537 11.847 ( -0.041 0.000 -2.686) 2.687 12.118 ( 4.176 0.000 -5.545) 6.942 12.362 ( 15.002 0.000 -14.899) 21.143 ======================= Grid point 37 (15/87) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 12.488 0.000 7.279) 14.454 0.814 ( 6.989 0.000 7.194) 10.030 1.173 ( 4.609 0.000 8.809) 9.942 1.225 ( 1.888 0.000 0.200) 1.898 1.287 ( -5.427 0.000 5.605) 7.802 1.554 ( 2.483 0.000 -2.999) 3.893 1.591 ( -0.540 0.000 5.446) 5.473 1.713 ( -3.412 0.000 -0.393) 3.434 1.889 ( 0.624 0.000 -1.212) 1.363 2.006 ( -2.622 0.000 0.030) 2.622 2.076 ( -0.223 0.000 1.499) 1.516 2.188 ( 1.526 0.000 -3.778) 4.075 2.201 ( 1.024 0.000 3.931) 4.062 2.251 ( -4.301 0.000 23.966) 24.349 2.323 ( 1.676 0.000 0.433) 1.731 2.568 ( 0.079 0.000 1.940) 1.941 2.688 ( -0.340 0.000 3.479) 3.496 2.936 ( 1.570 0.000 -7.430) 7.594 3.179 ( -5.470 0.000 -3.738) 6.625 3.221 ( 3.122 0.000 -2.165) 3.799 3.459 ( -0.996 0.000 8.733) 8.790 3.688 ( -4.273 0.000 5.319) 6.823 3.753 ( -2.819 0.000 -2.229) 3.594 3.969 ( 1.554 0.000 -0.860) 1.776 3.983 ( -1.324 0.000 -5.180) 5.347 4.087 ( 3.677 0.000 -0.699) 3.743 4.174 ( 1.821 0.000 -1.892) 2.626 4.485 ( 0.285 0.000 -1.798) 1.820 4.567 ( -3.494 0.000 9.721) 10.330 4.742 ( -3.960 0.000 6.159) 7.322 4.849 ( -2.605 0.000 6.422) 6.931 5.170 ( 2.363 0.000 -5.239) 5.747 5.370 ( 3.068 0.000 -12.815) 13.177 5.610 ( -1.353 0.000 1.284) 1.865 5.666 ( -0.533 0.000 0.658) 0.847 5.871 ( -2.030 0.000 6.655) 6.957 6.262 ( -2.657 0.000 -0.590) 2.721 6.481 ( 0.137 0.000 -1.489) 1.496 6.567 ( 1.370 0.000 -0.862) 1.619 6.716 ( 3.405 0.000 -4.647) 5.761 7.179 ( -3.140 0.000 -1.014) 3.300 7.245 ( -1.053 0.000 -0.963) 1.427 7.349 ( 0.875 0.000 3.789) 3.889 7.693 ( -0.753 0.000 -3.313) 3.398 9.814 ( -0.983 0.000 4.776) 4.877 9.933 ( -6.370 0.000 7.972) 10.204 9.965 ( 1.201 0.000 -6.714) 6.821 9.996 ( 1.813 0.000 -6.841) 7.077 10.278 ( 0.218 0.000 1.110) 1.132 10.359 ( -0.895 0.000 -0.002) 0.895 10.562 ( -1.426 0.000 9.201) 9.311 10.625 ( -2.839 0.000 8.380) 8.848 11.108 ( 1.142 0.000 1.685) 2.036 11.192 ( -0.882 0.000 2.157) 2.331 11.242 ( -3.102 0.000 -0.410) 3.129 11.511 ( -2.205 0.000 -1.813) 2.855 11.619 ( 1.845 0.000 -2.309) 2.955 11.830 ( -0.156 0.000 -2.637) 2.642 12.170 ( 3.720 0.000 -5.518) 6.654 12.495 ( 7.174 0.000 -11.484) 13.541 ======================= Grid point 38 (16/87) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 0.912 0.000 1.885) 2.094 1.050 ( 10.582 0.000 3.276) 11.078 1.204 ( 0.156 0.000 -1.292) 1.302 1.228 ( -3.778 0.000 6.301) 7.347 1.278 ( -1.010 0.000 1.391) 1.719 1.591 ( -2.378 0.000 4.602) 5.180 1.598 ( 3.334 0.000 -2.531) 4.186 1.647 ( -2.872 0.000 0.721) 2.961 1.892 ( -0.847 0.000 6.211) 6.269 1.948 ( -2.258 0.000 -0.914) 2.436 2.096 ( 0.513 0.000 2.536) 2.587 2.176 ( -0.011 0.000 -5.023) 5.023 2.250 ( 1.548 0.000 5.570) 5.781 2.316 ( -2.829 0.000 21.604) 21.788 2.383 ( 2.754 0.000 2.683) 3.845 2.565 ( -1.063 0.000 -0.014) 1.063 2.652 ( -3.330 0.000 0.582) 3.380 2.921 ( 0.958 0.000 -9.095) 9.145 3.090 ( -0.738 0.000 -2.201) 2.322 3.244 ( -0.077 0.000 -0.085) 0.114 3.474 ( -2.224 0.000 8.030) 8.333 3.640 ( -3.099 0.000 4.070) 5.116 3.706 ( -0.730 0.000 -0.960) 1.205 3.940 ( -0.206 0.000 -3.834) 3.839 3.992 ( 1.337 0.000 -1.398) 1.934 4.114 ( 0.303 0.000 -2.288) 2.308 4.216 ( 1.983 0.000 -1.247) 2.342 4.480 ( 0.138 0.000 -2.049) 2.054 4.574 ( -0.926 0.000 7.993) 8.046 4.706 ( -2.553 0.000 5.918) 6.445 4.831 ( -2.599 0.000 6.335) 6.847 5.209 ( 3.599 0.000 -3.062) 4.725 5.350 ( 2.197 0.000 -11.581) 11.788 5.615 ( 0.976 0.000 1.234) 1.573 5.657 ( -0.129 0.000 -0.928) 0.937 5.854 ( -2.681 0.000 6.746) 7.260 6.221 ( -1.156 0.000 0.800) 1.405 6.483 ( 0.461 0.000 -0.828) 0.947 6.575 ( 0.179 0.000 -2.449) 2.456 6.757 ( 2.697 0.000 -3.574) 4.478 7.134 ( -0.708 0.000 -0.615) 0.937 7.222 ( -0.574 0.000 -1.744) 1.836 7.357 ( -1.434 0.000 1.575) 2.130 7.658 ( -0.782 0.000 -3.862) 3.941 9.816 ( -1.776 0.000 4.342) 4.691 9.875 ( -2.816 0.000 5.551) 6.224 9.950 ( 1.149 0.000 -7.151) 7.242 9.996 ( 1.850 0.000 -6.941) 7.183 10.291 ( -0.055 0.000 1.937) 1.937 10.348 ( 0.010 0.000 0.063) 0.063 10.583 ( -1.430 0.000 8.656) 8.773 10.605 ( -3.376 0.000 7.954) 8.641 11.156 ( 2.437 0.000 1.662) 2.950 11.178 ( -3.012 0.000 0.860) 3.132 11.185 ( -0.927 0.000 1.883) 2.099 11.473 ( -0.463 0.000 -1.474) 1.545 11.637 ( 1.195 0.000 -2.616) 2.876 11.817 ( 0.355 0.000 -2.554) 2.578 12.198 ( 2.079 0.000 -5.759) 6.122 12.553 ( 4.535 0.000 -9.547) 10.570 ======================= Grid point 39 (17/87) ======================= q-point: (-0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -6.362 0.000 -0.152) 6.364 1.150 ( -10.593 0.000 -1.850) 10.753 1.196 ( 1.047 0.000 -1.540) 1.863 1.197 ( -1.824 0.000 4.229) 4.605 1.206 ( -0.608 0.000 5.214) 5.249 1.561 ( -2.004 0.000 3.018) 3.623 1.608 ( -0.676 0.000 0.065) 0.679 1.664 ( 3.261 0.000 0.073) 3.262 1.928 ( 1.106 0.000 -1.743) 2.064 1.930 ( -0.236 0.000 9.394) 9.396 2.112 ( -2.322 0.000 10.050) 10.314 2.146 ( -0.483 0.000 -4.076) 4.104 2.294 ( -1.500 0.000 6.146) 6.326 2.353 ( -2.948 0.000 16.786) 17.043 2.432 ( 0.600 0.000 2.223) 2.303 2.532 ( -1.261 0.000 -1.915) 2.293 2.590 ( -3.051 0.000 -0.314) 3.067 2.886 ( 1.741 0.000 -11.190) 11.325 3.131 ( 4.556 0.000 0.264) 4.564 3.226 ( -1.544 0.000 0.279) 1.569 3.470 ( -1.638 0.000 7.409) 7.588 3.604 ( -2.176 0.000 1.900) 2.889 3.716 ( 1.817 0.000 -0.350) 1.851 3.933 ( 1.232 0.000 -3.553) 3.760 4.001 ( 0.235 0.000 -1.586) 1.603 4.097 ( -0.298 0.000 -2.576) 2.593 4.217 ( -0.839 0.000 -1.238) 1.495 4.469 ( 0.237 0.000 -2.519) 2.530 4.602 ( -0.452 0.000 6.343) 6.359 4.717 ( -0.006 0.000 8.234) 8.234 4.817 ( -1.936 0.000 5.644) 5.967 5.272 ( 3.391 0.000 -0.241) 3.399 5.344 ( 3.042 0.000 -11.078) 11.488 5.649 ( 1.321 0.000 1.687) 2.143 5.653 ( 0.946 0.000 -3.283) 3.417 5.863 ( -0.441 0.000 10.248) 10.257 6.234 ( 1.843 0.000 1.518) 2.388 6.487 ( 0.567 0.000 -0.865) 1.034 6.551 ( -0.711 0.000 -3.453) 3.525 6.773 ( 0.557 0.000 -3.365) 3.411 7.146 ( 2.000 0.000 0.042) 2.000 7.201 ( -0.516 0.000 -2.617) 2.667 7.322 ( -1.991 0.000 0.285) 2.011 7.615 ( -1.073 0.000 -6.067) 6.161 9.787 ( -2.428 0.000 3.395) 4.174 9.882 ( -0.264 0.000 6.006) 6.012 9.938 ( 1.656 0.000 -7.492) 7.673 9.995 ( 1.852 0.000 -7.075) 7.314 10.297 ( -0.345 0.000 3.098) 3.117 10.361 ( 0.919 0.000 0.023) 0.919 10.575 ( -3.512 0.000 8.369) 9.076 10.603 ( -1.494 0.000 7.769) 7.911 11.128 ( -2.197 0.000 1.219) 2.512 11.177 ( -0.654 0.000 1.584) 1.714 11.223 ( 2.699 0.000 1.958) 3.334 11.479 ( 1.663 0.000 -1.218) 2.061 11.637 ( 0.230 0.000 -2.550) 2.560 11.819 ( 1.161 0.000 -2.462) 2.722 12.189 ( 0.259 0.000 -6.156) 6.161 12.576 ( 2.883 0.000 -9.295) 9.732 ======================= Grid point 40 (18/87) ======================= q-point: (-0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -12.817 0.000 2.565) 13.072 0.831 ( -18.466 0.000 -2.699) 18.662 1.129 ( -11.722 0.000 15.864) 19.725 1.216 ( 0.819 0.000 -0.310) 0.876 1.222 ( 2.914 0.000 0.942) 3.063 1.540 ( -1.974 0.000 1.018) 2.221 1.605 ( -0.483 0.000 1.806) 1.870 1.728 ( 3.171 0.000 -0.890) 3.294 1.945 ( -2.476 0.000 4.792) 5.394 1.968 ( 3.676 0.000 -1.934) 4.154 2.112 ( -0.878 0.000 -3.612) 3.717 2.129 ( -2.292 0.000 14.656) 14.834 2.263 ( -4.195 0.000 7.447) 8.547 2.391 ( -2.448 0.000 15.825) 16.013 2.432 ( -1.531 0.000 1.583) 2.203 2.507 ( -0.308 0.000 -1.530) 1.561 2.515 ( -3.508 0.000 -1.656) 3.879 2.892 ( 4.279 0.000 -9.675) 10.579 3.195 ( -1.392 0.000 -0.567) 1.503 3.229 ( 4.241 0.000 0.251) 4.249 3.482 ( -2.160 0.000 5.221) 5.650 3.591 ( 1.085 0.000 2.507) 2.732 3.749 ( 1.541 0.000 -1.929) 2.469 3.945 ( 2.028 0.000 -4.081) 4.557 4.021 ( 2.956 0.000 0.433) 2.988 4.051 ( -3.164 0.000 -2.202) 3.855 4.197 ( -0.373 0.000 -1.298) 1.350 4.475 ( 1.678 0.000 -2.059) 2.656 4.628 ( 0.566 0.000 4.087) 4.126 4.782 ( 0.659 0.000 11.701) 11.720 4.817 ( -0.993 0.000 5.052) 5.148 5.335 ( 2.375 0.000 1.820) 2.993 5.338 ( 2.554 0.000 -12.361) 12.622 5.662 ( 2.180 0.000 -4.404) 4.914 5.676 ( 0.303 0.000 1.863) 1.888 5.961 ( 3.277 0.000 16.873) 17.188 6.299 ( 3.526 0.000 0.646) 3.584 6.505 ( 1.929 0.000 -0.174) 1.937 6.525 ( -0.021 0.000 -2.260) 2.260 6.743 ( -1.279 0.000 -4.164) 4.356 7.169 ( -1.023 0.000 -3.047) 3.215 7.203 ( 3.305 0.000 -0.049) 3.305 7.301 ( -0.364 0.000 0.844) 0.919 7.531 ( -3.635 0.000 -10.730) 11.329 9.775 ( -0.598 0.000 3.908) 3.953 9.921 ( 0.723 0.000 8.479) 8.510 9.936 ( 2.307 0.000 -7.657) 7.997 9.996 ( 1.995 0.000 -6.786) 7.073 10.323 ( 0.843 0.000 6.044) 6.102 10.372 ( 0.236 0.000 -0.952) 0.981 10.554 ( -3.088 0.000 8.419) 8.967 10.611 ( -1.967 0.000 7.927) 8.167 11.103 ( -1.225 0.000 1.801) 2.178 11.179 ( -0.025 0.000 1.686) 1.686 11.275 ( 1.658 0.000 0.709) 1.803 11.521 ( 3.042 0.000 -1.378) 3.339 11.625 ( -0.054 0.000 -1.925) 1.926 11.834 ( 1.588 0.000 -2.438) 2.909 12.147 ( -0.912 0.000 -6.568) 6.631 12.557 ( 0.442 0.000 -12.379) 12.387 ======================= Grid point 41 (19/87) ======================= q-point: (-0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -12.300 0.000 11.592) 16.902 0.476 ( -15.760 0.000 11.190) 19.328 0.926 ( -19.803 0.000 27.548) 33.927 1.229 ( 0.130 0.000 0.126) 0.181 1.301 ( 4.605 0.000 -1.476) 4.835 1.510 ( 0.150 0.000 0.743) 0.758 1.597 ( -1.522 0.000 2.013) 2.524 1.772 ( 2.166 0.000 -2.420) 3.248 1.902 ( -2.045 0.000 -1.604) 2.599 2.047 ( 4.695 0.000 -0.948) 4.789 2.076 ( -0.633 0.000 -3.428) 3.486 2.158 ( -1.389 0.000 5.646) 5.814 2.231 ( -4.313 0.000 12.961) 13.660 2.395 ( -6.135 0.000 13.680) 14.992 2.396 ( -2.566 0.000 0.933) 2.731 2.480 ( -0.135 0.000 4.594) 4.596 2.503 ( 0.118 0.000 0.668) 0.678 2.930 ( 4.007 0.000 -7.387) 8.403 3.154 ( -2.308 0.000 -4.170) 4.766 3.289 ( 1.745 0.000 0.547) 1.829 3.428 ( -3.371 0.000 2.831) 4.402 3.678 ( 3.535 0.000 7.430) 8.228 3.767 ( 2.255 0.000 -3.203) 3.917 3.957 ( -4.319 0.000 -0.803) 4.393 3.965 ( 1.837 0.000 -3.581) 4.025 4.110 ( 3.576 0.000 -0.039) 3.576 4.180 ( -0.153 0.000 -2.406) 2.411 4.503 ( 1.416 0.000 -0.836) 1.644 4.674 ( 2.359 0.000 1.663) 2.886 4.832 ( -0.208 0.000 4.861) 4.866 4.857 ( 0.623 0.000 10.131) 10.150 5.318 ( 2.915 0.000 -14.027) 14.327 5.386 ( 1.367 0.000 4.164) 4.383 5.680 ( -0.840 0.000 2.148) 2.306 5.691 ( 2.807 0.000 -4.939) 5.681 6.158 ( 4.561 0.000 11.647) 12.508 6.354 ( 2.215 0.000 -2.684) 3.480 6.529 ( 0.655 0.000 0.294) 0.718 6.614 ( 9.539 0.000 5.589) 11.056 6.695 ( -0.810 0.000 -4.476) 4.549 7.147 ( 0.387 0.000 -0.567) 0.686 7.243 ( -0.908 0.000 -4.701) 4.788 7.306 ( 0.139 0.000 0.664) 0.678 7.338 ( -7.066 0.000 -6.737) 9.764 9.797 ( 0.006 0.000 4.322) 4.322 9.947 ( 2.743 0.000 -7.365) 7.859 10.000 ( 1.932 0.000 -6.475) 6.757 10.048 ( 7.958 0.000 9.521) 12.409 10.359 ( -0.592 0.000 -2.094) 2.176 10.443 ( 8.669 0.000 17.131) 19.200 10.542 ( -2.760 0.000 8.517) 8.953 10.613 ( -2.113 0.000 8.411) 8.673 11.095 ( -0.664 0.000 1.894) 2.007 11.191 ( 0.104 0.000 1.926) 1.929 11.298 ( 0.705 0.000 -0.102) 0.713 11.574 ( 2.764 0.000 -1.800) 3.299 11.614 ( -0.105 0.000 -1.709) 1.712 11.851 ( 1.333 0.000 -2.529) 2.859 12.092 ( -0.640 0.000 -7.171) 7.199 12.384 ( -12.313 0.000 -23.233) 26.294 ======================= Grid point 42 (20/87) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( -0.397 8.893 14.486) 17.002 0.589 ( -2.769 11.322 17.864) 21.331 0.837 ( -6.797 8.069 27.761) 29.698 1.245 ( -0.243 0.260 1.558) 1.598 1.338 ( -0.283 -6.145 2.385) 6.598 1.516 ( 0.360 -2.543 -3.637) 4.452 1.620 ( 3.469 3.019 -4.811) 6.655 1.790 ( 0.140 1.170 0.174) 1.192 1.953 ( -4.105 4.251 3.293) 6.765 2.001 ( -0.501 -2.635 3.344) 4.287 2.170 ( -1.990 3.025 5.742) 6.788 2.225 ( 0.597 1.658 -0.691) 1.893 2.262 ( -4.709 6.130 8.714) 11.649 2.298 ( -0.663 -0.825 0.675) 1.255 2.396 ( -3.235 0.109 2.929) 4.365 2.541 ( 0.216 1.727 1.218) 2.125 2.584 ( 2.613 6.591 1.597) 7.268 2.980 ( 1.899 -0.727 -5.760) 6.108 3.094 ( 1.558 3.016 -3.541) 4.905 3.445 ( -0.270 2.725 3.719) 4.619 3.555 ( 0.235 15.593 -6.795) 17.011 3.639 ( -1.104 -9.093 6.721) 11.361 3.844 ( 3.060 1.609 -3.880) 5.197 3.903 ( 1.519 -3.652 -3.080) 5.013 3.934 ( -1.499 -1.887 -0.690) 2.507 4.113 ( 0.372 -2.092 -2.002) 2.919 4.222 ( 0.501 5.065 -1.737) 5.378 4.519 ( 0.444 -0.109 -2.491) 2.532 4.611 ( -1.773 -2.799 5.975) 6.832 4.793 ( -2.933 -2.537 8.876) 9.687 5.131 ( 3.235 9.643 -8.380) 13.179 5.255 ( -0.088 -2.310 -8.092) 8.416 5.448 ( -0.117 3.023 -2.412) 3.869 5.650 ( -0.010 -0.179 -0.489) 0.521 5.862 ( 0.755 10.664 -0.537) 10.704 5.983 ( -16.220 5.496 -3.597) 17.500 6.359 ( -0.790 -0.394 -3.691) 3.795 6.435 ( -3.276 -10.253 -2.817) 11.126 6.549 ( -1.367 0.197 0.238) 1.401 6.674 ( -0.510 -0.764 -4.478) 4.571 7.181 ( 3.196 -0.905 3.330) 4.704 7.267 ( 2.348 -3.523 1.162) 4.390 7.302 ( 0.209 -0.021 -0.136) 0.250 7.403 ( 10.378 -5.736 4.388) 12.644 9.819 ( -1.016 0.839 4.955) 5.127 9.954 ( 1.866 -1.486 -2.965) 3.805 9.995 ( 1.318 -0.611 -6.075) 6.246 10.059 ( -0.689 -8.777 6.938) 11.209 10.314 ( -2.546 -0.477 0.262) 2.604 10.364 ( -1.054 -3.171 3.297) 4.694 10.547 ( -2.834 0.463 9.436) 9.863 10.625 ( -2.623 -1.349 8.985) 9.457 11.211 ( -0.182 1.463 1.485) 2.092 11.300 ( 0.347 -0.609 -0.045) 0.703 11.461 ( -4.318 9.285 -9.852) 14.210 11.587 ( 0.312 -0.707 -1.976) 2.122 11.651 ( -2.255 4.756 -4.966) 7.236 11.833 ( 0.597 -2.040 -2.549) 3.319 12.021 ( 8.497 1.248 -4.130) 9.530 12.088 ( 2.298 -0.450 -4.790) 5.332 ======================= Grid point 43 (21/87) ======================= q-point: ( 0.14 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 4.134 4.255 15.330) 16.438 0.651 ( 4.348 7.693 12.924) 15.657 0.998 ( 5.545 4.142 18.418) 19.675 1.269 ( 1.924 2.623 0.979) 3.397 1.283 ( -5.236 -7.625 5.654) 10.840 1.533 ( 2.286 0.451 -4.142) 4.753 1.669 ( 2.895 3.762 -2.529) 5.379 1.801 ( 1.445 0.347 -1.610) 2.191 1.854 ( -6.428 2.688 1.628) 7.155 2.018 ( -0.681 -2.445 3.460) 4.291 2.139 ( -3.575 3.007 7.965) 9.234 2.211 ( -1.814 2.500 1.015) 3.252 2.221 ( -3.326 3.576 8.934) 10.182 2.311 ( 0.863 2.020 -0.169) 2.203 2.348 ( -2.087 3.748 3.083) 5.283 2.553 ( -0.011 0.525 2.538) 2.592 2.656 ( 2.755 4.261 3.365) 6.088 2.952 ( 0.323 -0.809 -8.413) 8.458 3.168 ( 5.071 2.725 -0.065) 5.757 3.457 ( -1.308 4.864 2.356) 5.561 3.491 ( -2.407 11.544 -4.551) 12.640 3.631 ( -2.621 -6.233 5.096) 8.467 3.872 ( -0.302 1.170 -3.327) 3.540 3.911 ( 2.166 -4.394 -2.376) 5.444 3.934 ( 1.593 -1.029 0.487) 1.958 4.094 ( -0.185 -0.035 -3.299) 3.304 4.208 ( -0.808 4.338 -1.516) 4.666 4.496 ( -0.827 -0.856 -3.363) 3.568 4.591 ( -3.689 -0.500 8.305) 9.102 4.765 ( -4.661 -2.038 8.723) 10.098 5.068 ( -5.557 12.139 -0.931) 13.383 5.198 ( -0.026 0.828 -6.877) 6.927 5.415 ( 1.820 5.288 -8.969) 10.570 5.645 ( -1.252 1.340 2.606) 3.187 5.730 ( -4.078 7.219 -1.205) 8.379 5.899 ( -0.943 4.239 6.453) 7.778 6.306 ( -2.483 -1.787 -2.181) 3.757 6.391 ( -0.652 -9.112 -2.649) 9.512 6.550 ( 1.052 -0.132 0.115) 1.066 6.663 ( 1.554 -1.761 -5.042) 5.562 7.237 ( -2.635 -0.910 -0.911) 2.933 7.266 ( 1.089 -0.711 3.244) 3.495 7.292 ( 0.495 0.325 0.540) 0.801 7.582 ( 4.157 -10.159 -0.522) 10.989 9.821 ( -1.422 0.941 5.099) 5.376 9.960 ( -1.637 -2.699 2.009) 3.742 9.981 ( 0.513 -0.365 -5.030) 5.070 10.023 ( -2.551 -1.753 0.519) 3.138 10.288 ( -0.247 1.069 -0.086) 1.100 10.360 ( -0.376 -1.338 0.560) 1.498 10.549 ( -2.060 0.438 9.481) 9.712 10.619 ( -2.536 -1.061 8.738) 9.161 11.200 ( -1.976 3.110 0.723) 3.755 11.245 ( -5.162 6.267 -0.414) 8.130 11.304 ( -1.970 2.682 -0.680) 3.396 11.557 ( -2.308 -1.117 -2.134) 3.336 11.604 ( 0.386 0.663 -2.174) 2.305 11.800 ( -1.452 -4.122 -2.441) 5.006 12.138 ( 5.791 1.766 -5.297) 8.044 12.311 ( 14.096 -3.945 -10.581) 18.062 ======================= Grid point 44 (22/87) ======================= q-point: ( 0.29 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 6.723 -0.445 8.338) 10.720 0.856 ( 9.820 3.541 5.614) 11.853 1.156 ( 2.654 -1.983 7.771) 8.447 1.220 ( -3.875 -4.235 8.177) 9.991 1.334 ( 2.679 4.560 0.693) 5.333 1.549 ( 1.186 -0.508 -2.037) 2.411 1.697 ( 1.085 3.193 -3.375) 4.772 1.728 ( -5.987 5.663 2.327) 8.563 1.830 ( 1.273 -1.723 -0.610) 2.227 2.005 ( -2.306 -1.533 4.305) 5.119 2.144 ( 0.018 5.220 3.778) 6.444 2.185 ( -0.106 1.740 1.851) 2.543 2.227 ( -3.155 -0.937 14.557) 14.924 2.323 ( -0.056 0.302 4.599) 4.609 2.350 ( 1.134 7.371 -1.097) 7.538 2.563 ( -0.393 -0.695 1.830) 1.997 2.692 ( -0.792 1.327 0.781) 1.731 2.927 ( 1.390 -0.703 -7.222) 7.388 3.258 ( 2.893 3.984 2.195) 5.391 3.352 ( -4.632 12.836 -5.533) 14.725 3.492 ( -0.453 3.131 4.311) 5.348 3.602 ( -2.293 -3.953 3.499) 5.755 3.830 ( -1.581 4.100 -1.975) 4.818 3.919 ( 0.170 -4.628 -3.716) 5.938 3.976 ( 1.165 -0.629 0.803) 1.549 4.103 ( 2.065 0.156 -0.963) 2.284 4.188 ( 0.080 2.209 -1.421) 2.628 4.466 ( -0.431 -2.315 -2.386) 3.353 4.574 ( -2.308 1.370 8.205) 8.633 4.713 ( -4.638 -1.722 7.897) 9.319 4.982 ( -3.786 10.000 3.184) 11.157 5.192 ( 3.029 1.779 -7.533) 8.312 5.414 ( 2.270 4.337 -8.905) 10.161 5.617 ( -2.342 2.808 2.598) 4.485 5.693 ( -0.422 1.900 -1.421) 2.410 5.901 ( -2.326 2.859 6.133) 7.156 6.245 ( -2.771 -2.262 -0.437) 3.603 6.374 ( 0.223 -9.395 -2.018) 9.612 6.577 ( 1.134 0.221 -0.255) 1.183 6.678 ( 2.640 -3.460 -4.900) 6.554 7.177 ( -2.362 0.070 -1.018) 2.573 7.244 ( -1.376 -0.365 -0.725) 1.598 7.343 ( 0.975 -0.322 3.007) 3.178 7.606 ( 0.032 -7.631 -1.825) 7.846 9.821 ( -1.203 0.759 4.907) 5.109 9.911 ( -4.619 -1.754 6.855) 8.450 9.970 ( 1.184 0.463 -6.681) 6.801 9.999 ( 1.163 0.043 -6.261) 6.368 10.291 ( 0.310 1.164 0.737) 1.412 10.353 ( -0.410 -0.545 -0.191) 0.708 10.564 ( -1.522 0.229 9.211) 9.339 10.615 ( -2.689 -0.946 8.514) 8.978 11.161 ( -0.816 4.237 0.554) 4.350 11.204 ( -1.377 1.120 1.893) 2.595 11.256 ( -2.778 1.631 -0.151) 3.225 11.493 ( -2.475 -1.825 -1.888) 3.608 11.616 ( 1.567 -0.121 -2.187) 2.693 11.767 ( -0.538 -5.039 -2.056) 5.469 12.217 ( 4.732 3.819 -5.790) 8.396 12.459 ( 7.438 -3.244 -10.126) 12.977 ======================= Grid point 45 (23/87) ======================= q-point: ( 0.43 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 1.454 -3.351 2.789) 4.596 1.076 ( 8.898 0.862 3.228) 9.505 1.162 ( -2.715 -0.282 4.016) 4.856 1.239 ( -1.585 -4.343 5.264) 7.006 1.350 ( -0.499 4.415 -0.616) 4.486 1.565 ( 0.221 -4.581 1.841) 4.942 1.640 ( -2.445 5.324 0.825) 5.917 1.684 ( -0.605 5.730 -4.929) 7.582 1.861 ( 1.278 0.246 4.052) 4.256 1.987 ( -1.712 0.375 4.684) 5.002 2.143 ( -0.680 4.149 1.065) 4.338 2.206 ( -2.271 -0.021 5.087) 5.571 2.255 ( -0.319 -0.835 10.713) 10.750 2.357 ( -0.701 2.050 8.269) 8.549 2.390 ( 3.064 3.921 0.611) 5.014 2.547 ( -1.789 -2.042 -0.523) 2.765 2.659 ( -1.564 1.829 0.476) 2.453 2.913 ( 1.117 -0.205 -8.436) 8.512 3.271 ( -0.353 15.020 -2.535) 15.236 3.293 ( -0.644 4.152 1.083) 4.339 3.495 ( -1.561 1.962 4.540) 5.186 3.587 ( -0.907 -2.288 2.765) 3.702 3.799 ( -1.012 6.558 -0.580) 6.661 3.894 ( 0.071 -3.976 -3.282) 5.156 3.992 ( 0.267 -1.694 -0.751) 1.872 4.119 ( 0.128 0.718 -1.340) 1.525 4.202 ( 1.250 -0.643 -0.923) 1.682 4.450 ( -0.109 -3.063 -1.986) 3.653 4.583 ( -1.203 1.131 7.325) 7.509 4.679 ( -2.668 -1.423 7.852) 8.414 4.939 ( -2.317 8.659 3.094) 9.482 5.227 ( 4.239 1.396 -7.064) 8.356 5.405 ( 1.259 4.788 -6.725) 8.351 5.608 ( 0.208 2.065 3.055) 3.693 5.677 ( -0.077 1.285 -2.586) 2.888 5.883 ( -2.415 2.422 6.235) 7.112 6.202 ( -1.269 -2.478 0.624) 2.853 6.377 ( 0.837 -9.594 -1.085) 9.692 6.578 ( -0.276 0.034 -2.199) 2.217 6.710 ( 2.518 -4.367 -3.413) 6.088 7.144 ( -0.362 0.993 -0.601) 1.216 7.219 ( -0.562 -0.355 -1.151) 1.330 7.349 ( -1.269 -0.443 0.853) 1.592 7.585 ( -0.749 -6.537 -2.976) 7.221 9.820 ( -1.803 0.433 4.362) 4.740 9.868 ( -2.592 -0.698 5.367) 6.000 9.955 ( 1.131 0.473 -7.152) 7.256 9.992 ( 1.666 -0.367 -7.010) 7.215 10.303 ( 0.046 1.111 1.578) 1.930 10.348 ( 0.151 -0.032 0.218) 0.267 10.583 ( -1.488 0.045 8.652) 8.779 10.600 ( -3.187 -0.437 8.208) 8.816 11.170 ( 0.482 1.011 0.412) 1.194 11.190 ( -1.043 0.470 1.645) 2.004 11.208 ( -1.445 3.061 1.440) 3.679 11.453 ( -0.482 -2.100 -1.396) 2.567 11.632 ( 1.118 -0.386 -2.390) 2.667 11.754 ( 0.230 -4.896 -1.867) 5.245 12.257 ( 2.516 4.765 -6.261) 8.261 12.523 ( 4.385 -2.831 -9.060) 10.456 ======================= Grid point 46 (24/87) ======================= q-point: (-0.43 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -5.825 -3.035 1.201) 6.677 1.113 ( -6.379 -0.959 -0.314) 6.458 1.155 ( -4.153 -1.566 3.874) 5.892 1.202 ( -0.245 -0.413 5.144) 5.166 1.331 ( -1.512 3.521 -0.893) 3.935 1.564 ( -0.882 -5.823 2.854) 6.544 1.613 ( -1.185 7.612 -1.032) 7.773 1.686 ( 3.200 3.333 -1.558) 4.876 1.923 ( 2.027 1.553 5.621) 6.174 1.998 ( 0.588 2.626 3.792) 4.650 2.138 ( -0.719 2.773 3.079) 4.206 2.164 ( -4.726 0.544 6.941) 8.415 2.299 ( -0.473 -1.031 7.215) 7.304 2.369 ( -3.131 1.497 10.143) 10.720 2.437 ( 0.574 0.876 0.897) 1.379 2.503 ( -1.081 -2.601 -1.958) 3.430 2.643 ( -1.112 5.469 -0.612) 5.614 2.892 ( 2.121 0.881 -8.726) 9.023 3.261 ( -2.649 3.283 0.780) 4.290 3.310 ( 4.723 14.268 -0.781) 15.049 3.490 ( -0.921 1.934 4.702) 5.167 3.584 ( -1.048 -0.652 1.650) 2.060 3.785 ( 0.312 5.390 -1.143) 5.519 3.896 ( 1.342 -2.731 -2.643) 4.031 3.978 ( -0.422 -3.167 -1.790) 3.663 4.106 ( -0.796 0.416 -1.983) 2.177 4.209 ( 0.135 0.021 -0.656) 0.670 4.439 ( 0.371 -2.960 -2.338) 3.790 4.594 ( -1.518 0.154 6.355) 6.536 4.700 ( -0.101 -1.387 9.492) 9.593 4.926 ( -0.390 8.921 2.599) 9.300 5.277 ( 4.363 0.329 -7.250) 8.468 5.397 ( 0.855 4.489 -3.710) 5.886 5.644 ( 0.884 1.421 -0.050) 1.674 5.679 ( 2.659 2.387 -0.453) 3.602 5.885 ( -1.098 1.923 8.229) 8.522 6.211 ( 1.784 -2.759 1.147) 3.480 6.392 ( 1.206 -8.941 -0.677) 9.047 6.552 ( -0.659 0.111 -3.136) 3.206 6.727 ( 0.804 -4.288 -3.263) 5.448 7.156 ( 1.618 0.992 0.030) 1.898 7.206 ( -0.134 0.373 -1.921) 1.961 7.315 ( -1.831 -0.501 -0.249) 1.914 7.543 ( -1.527 -6.482 -5.016) 8.337 9.795 ( -2.258 0.759 3.551) 4.276 9.871 ( -0.609 -1.048 5.630) 5.759 9.942 ( 1.677 0.451 -7.517) 7.715 9.989 ( 1.873 -0.568 -7.195) 7.457 10.310 ( -0.220 1.188 2.503) 2.779 10.362 ( 0.797 0.000 0.236) 0.831 10.577 ( -3.327 0.168 8.520) 9.148 10.600 ( -1.669 -0.331 8.015) 8.194 11.155 ( -0.993 2.114 0.449) 2.378 11.183 ( -0.318 0.630 1.500) 1.657 11.238 ( 2.125 1.706 1.912) 3.329 11.461 ( 1.819 -1.918 -1.054) 2.846 11.633 ( 0.324 -0.226 -2.252) 2.286 11.756 ( 0.941 -4.844 -1.778) 5.245 12.249 ( 0.193 4.872 -6.617) 8.219 12.540 ( 2.094 -3.406 -8.909) 9.765 ======================= Grid point 47 (25/87) ======================= q-point: (-0.29 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -11.717 0.114 3.648) 12.273 0.882 ( -14.154 4.736 -1.100) 14.966 1.116 ( -7.840 -1.582 10.254) 13.004 1.189 ( -0.329 -1.806 6.030) 6.303 1.290 ( -1.740 2.973 -0.671) 3.509 1.568 ( -0.456 -4.249 1.686) 4.594 1.601 ( 0.679 4.739 -2.655) 5.475 1.744 ( 2.347 2.169 0.493) 3.234 1.982 ( 0.866 3.418 4.691) 5.869 2.029 ( -0.551 1.924 2.898) 3.522 2.110 ( -1.524 3.435 1.345) 3.992 2.159 ( -0.604 1.511 8.852) 9.000 2.306 ( -2.391 1.596 6.211) 6.844 2.359 ( -3.427 -2.080 11.587) 12.261 2.428 ( -1.289 -0.606 0.777) 1.623 2.497 ( 1.123 -1.526 -0.866) 2.083 2.589 ( -2.561 8.409 -3.363) 9.412 2.911 ( 3.418 1.566 -6.505) 7.513 3.210 ( -2.486 1.755 -0.883) 3.169 3.403 ( 3.278 10.573 0.297) 11.073 3.525 ( 1.828 2.259 5.107) 5.876 3.563 ( -0.791 1.463 -0.095) 1.666 3.792 ( 1.150 3.068 -2.993) 4.438 3.906 ( 0.971 -2.861 -2.897) 4.186 3.996 ( 2.986 -2.817 0.193) 4.109 4.054 ( -2.696 -0.420 -2.431) 3.655 4.211 ( 0.314 1.954 -1.050) 2.240 4.453 ( 2.429 -2.309 -2.418) 4.132 4.596 ( -1.449 -0.625 5.950) 6.156 4.757 ( -0.057 -2.185 10.141) 10.374 4.960 ( 2.674 10.278 2.298) 10.866 5.307 ( 2.836 -1.103 -9.547) 10.021 5.406 ( 1.288 4.489 -0.687) 4.721 5.643 ( 0.779 0.126 -3.235) 3.330 5.763 ( 4.200 7.072 0.920) 8.277 5.942 ( 1.846 -1.041 13.185) 13.354 6.278 ( 3.960 -2.454 0.802) 4.727 6.421 ( 2.018 -8.151 -0.071) 8.397 6.531 ( 0.235 0.754 -1.842) 2.004 6.711 ( -0.177 -3.054 -3.834) 4.905 7.173 ( -0.884 0.469 -2.775) 2.950 7.208 ( 2.267 0.412 -0.268) 2.320 7.295 ( -0.126 -0.475 0.509) 0.708 7.456 ( -4.104 -6.340 -7.957) 10.971 9.784 ( -0.724 0.924 4.016) 4.184 9.892 ( -0.418 -2.108 6.127) 6.493 9.945 ( 2.539 0.492 -6.475) 6.973 9.991 ( 2.092 -0.539 -6.844) 7.177 10.327 ( 0.157 0.578 4.016) 4.061 10.371 ( 0.128 -0.104 -0.676) 0.696 10.561 ( -2.891 0.543 8.875) 9.350 10.606 ( -1.993 -0.516 8.226) 8.480 11.157 ( 1.107 3.503 0.652) 3.731 11.198 ( 1.140 2.017 1.562) 2.795 11.287 ( 1.916 1.747 1.115) 2.823 11.508 ( 3.359 -1.343 -1.245) 3.826 11.626 ( 0.094 0.145 -1.671) 1.680 11.773 ( 1.713 -4.841 -1.811) 5.445 12.196 ( -1.808 4.014 -6.748) 8.058 12.497 ( -1.745 -5.147 -10.757) 12.052 ======================= Grid point 48 (26/87) ======================= q-point: (-0.14 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -9.348 5.902 9.959) 14.879 0.615 ( -11.555 12.027 8.441) 18.693 0.963 ( -15.018 2.935 22.132) 26.907 1.250 ( 0.399 -2.631 2.097) 3.388 1.272 ( 2.555 -0.262 1.171) 2.823 1.552 ( -1.480 -3.109 -0.892) 3.557 1.598 ( 1.244 3.620 -4.326) 5.776 1.779 ( 1.000 0.797 0.355) 1.327 1.988 ( -3.618 2.158 7.231) 8.369 2.014 ( -0.513 -0.030 0.757) 0.915 2.142 ( 3.059 6.520 -1.325) 7.322 2.197 ( 0.966 1.152 3.638) 3.937 2.288 ( -2.777 4.381 7.074) 8.772 2.338 ( -4.709 -3.819 9.370) 11.161 2.417 ( -1.016 -1.053 3.297) 3.607 2.525 ( 0.764 0.231 2.071) 2.219 2.546 ( 0.862 8.940 -3.063) 9.490 2.945 ( 3.134 1.212 -4.549) 5.655 3.145 ( -2.646 0.777 -4.344) 5.145 3.432 ( -0.116 4.889 2.457) 5.473 3.564 ( 1.404 12.452 -4.082) 13.179 3.597 ( 1.707 -5.182 6.082) 8.170 3.808 ( 2.677 2.382 -4.117) 5.458 3.898 ( -0.109 -4.121 -2.049) 4.603 3.983 ( -2.288 -0.699 -1.793) 2.989 4.082 ( 3.531 -2.882 -0.359) 4.572 4.212 ( 0.896 3.646 -1.730) 4.134 4.498 ( 2.810 -1.194 -2.361) 3.860 4.604 ( -1.059 -1.778 5.962) 6.311 4.791 ( -1.706 -2.573 9.045) 9.557 5.054 ( 5.939 10.045 -1.550) 11.772 5.291 ( 1.325 -1.314 -10.596) 10.759 5.433 ( 1.337 3.681 0.106) 3.918 5.646 ( 0.971 -0.501 -2.255) 2.506 5.829 ( 2.175 9.282 0.394) 9.542 6.092 ( 4.537 -3.439 6.257) 8.459 6.352 ( 2.909 -1.160 -1.519) 3.480 6.475 ( 2.373 -9.512 -0.126) 9.804 6.550 ( 1.803 0.471 2.139) 2.837 6.703 ( 1.501 -0.987 -2.650) 3.202 7.146 ( 0.160 -0.318 -1.251) 1.300 7.203 ( -3.976 -3.305 -4.241) 6.687 7.297 ( 0.279 -0.194 -0.184) 0.386 7.338 ( -1.423 -0.255 -0.941) 1.725 9.804 ( -0.081 0.724 4.697) 4.753 9.924 ( 1.396 -2.903 1.638) 3.613 9.985 ( 3.347 -2.005 0.291) 3.913 9.997 ( 1.853 -0.906 -4.940) 5.353 10.351 ( -1.077 -2.137 4.876) 5.432 10.360 ( -0.265 -0.470 -0.580) 0.793 10.554 ( -2.850 0.521 9.258) 9.700 10.615 ( -1.624 -0.690 8.991) 9.163 11.194 ( 1.277 1.732 1.094) 2.414 11.264 ( 4.247 2.284 -0.141) 4.825 11.352 ( 6.999 8.876 0.268) 11.307 11.567 ( 2.891 -0.697 -1.789) 3.471 11.623 ( 0.808 1.014 -1.329) 1.857 11.806 ( 2.574 -3.687 -2.122) 4.973 12.113 ( -2.555 1.763 -6.684) 7.370 12.302 ( -12.532 -5.513 -14.241) 19.754 ======================= Grid point 49 (27/87) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -0.031 17.575 3.725) 17.965 0.847 ( -4.640 13.306 11.381) 18.114 0.949 ( -0.480 -0.901 11.223) 11.270 1.129 ( -3.428 -12.672 7.054) 14.902 1.247 ( -0.597 2.020 4.449) 4.923 1.385 ( 2.886 -8.995 0.569) 9.463 1.728 ( 1.397 6.575 -3.210) 7.449 1.818 ( 0.208 -0.973 1.236) 1.587 1.961 ( -2.485 0.187 5.929) 6.431 1.984 ( -4.005 -1.023 4.063) 5.797 2.182 ( -2.459 -0.156 7.595) 7.984 2.212 ( -2.936 -2.290 8.006) 8.829 2.273 ( 0.854 2.439 -1.320) 2.902 2.336 ( -1.086 -3.031 3.474) 4.737 2.459 ( -0.273 5.251 1.366) 5.432 2.530 ( 0.154 -2.160 2.227) 3.106 2.801 ( 1.161 11.960 -4.705) 12.904 2.946 ( 0.642 -3.240 -6.127) 6.961 3.194 ( 1.286 8.009 2.492) 8.486 3.411 ( -0.146 -11.323 4.638) 12.237 3.566 ( 0.039 6.909 1.799) 7.139 3.727 ( -0.136 -6.229 -3.244) 7.024 3.844 ( 0.155 6.188 -2.491) 6.672 3.873 ( 0.643 1.550 -3.979) 4.318 3.915 ( 0.738 0.211 -0.683) 1.027 4.027 ( 1.440 -6.275 -1.337) 6.575 4.342 ( 0.848 6.244 -1.992) 6.609 4.456 ( 1.200 -4.971 -3.718) 6.323 4.642 ( -2.286 3.866 8.231) 9.377 4.725 ( -2.707 -4.053 8.978) 10.216 5.214 ( 1.448 1.300 -4.215) 4.643 5.238 ( 0.727 -0.748 -6.223) 6.310 5.544 ( 0.968 5.949 -3.524) 6.981 5.631 ( 0.880 -2.316 -1.873) 3.106 5.992 ( -2.425 6.642 4.305) 8.278 6.156 ( 1.272 0.201 -4.609) 4.786 6.220 ( -5.119 -2.708 -5.841) 8.225 6.322 ( -0.692 -3.747 -4.188) 5.662 6.571 ( -1.791 2.192 -1.633) 3.268 6.632 ( -1.028 -3.213 -3.913) 5.166 7.167 ( 3.835 -0.053 3.359) 5.098 7.192 ( 4.931 -2.768 3.726) 6.772 7.308 ( -0.418 0.698 -0.447) 0.928 7.334 ( 0.462 -2.036 0.365) 2.120 9.844 ( -1.112 1.682 6.355) 6.668 9.890 ( -1.113 -3.145 8.139) 8.796 9.986 ( 1.916 0.074 -6.454) 6.733 9.994 ( 2.364 -0.762 -6.045) 6.535 10.322 ( -0.788 0.851 -0.436) 1.239 10.339 ( -0.084 -0.778 -0.950) 1.231 10.563 ( -2.766 1.179 9.441) 9.908 10.593 ( -2.649 -1.699 9.249) 9.769 11.247 ( 0.123 1.890 0.938) 2.113 11.281 ( 0.313 -1.386 0.304) 1.453 11.540 ( -0.647 1.753 -3.897) 4.322 11.568 ( 0.040 -1.176 -2.471) 2.737 11.735 ( -2.380 3.115 -4.250) 5.782 11.787 ( -0.612 -2.394 -2.724) 3.677 12.050 ( 4.310 1.425 -4.442) 6.351 12.074 ( 2.819 -0.960 -4.693) 5.558 ======================= Grid point 50 (28/87) ======================= q-point: ( 0.14 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.901 14.515 8.421) 16.805 0.845 ( 0.971 9.970 8.412) 13.081 1.021 ( 1.093 -3.958 7.830) 8.841 1.087 ( -3.899 -11.165 8.452) 14.536 1.310 ( 3.705 4.184 4.133) 6.951 1.453 ( 2.467 -8.169 0.289) 8.538 1.744 ( 1.845 5.347 -3.709) 6.764 1.821 ( -0.224 -0.679 0.735) 1.025 1.921 ( -3.443 2.566 3.899) 5.800 1.963 ( -1.000 -2.192 3.143) 3.960 2.180 ( -1.399 1.534 7.282) 7.572 2.210 ( -2.109 -0.700 9.216) 9.480 2.273 ( -0.261 1.511 -0.747) 1.706 2.319 ( -2.523 -2.171 4.860) 5.890 2.448 ( -0.947 5.726 1.182) 5.923 2.533 ( -0.846 -2.760 2.228) 3.646 2.800 ( 0.565 8.237 -3.197) 8.854 2.916 ( 0.008 -3.267 -6.456) 7.236 3.263 ( 3.393 7.208 3.886) 8.864 3.435 ( 0.463 -8.545 2.758) 8.991 3.578 ( 0.309 6.617 0.930) 6.689 3.695 ( -1.128 -0.773 -3.336) 3.605 3.827 ( 0.080 0.541 -2.867) 2.918 3.868 ( 0.799 -1.450 -3.233) 3.632 3.952 ( 1.976 3.035 0.911) 3.734 4.042 ( 1.042 -4.498 -1.253) 4.784 4.322 ( -1.703 6.179 -1.628) 6.613 4.434 ( -1.306 -4.751 -3.191) 5.870 4.635 ( -2.806 3.616 7.980) 9.200 4.708 ( -3.780 -3.449 8.651) 10.051 5.192 ( -1.242 2.298 -3.186) 4.120 5.219 ( 0.787 0.010 -7.021) 7.065 5.540 ( 0.931 6.939 -4.263) 8.197 5.643 ( 1.016 -2.482 -0.579) 2.743 5.925 ( -5.441 9.519 -0.254) 10.967 6.057 ( -4.991 10.309 -0.574) 11.468 6.149 ( -1.429 -10.896 -2.351) 11.238 6.255 ( -3.543 -6.064 -1.940) 7.286 6.555 ( 0.991 1.268 -1.539) 2.226 6.608 ( 0.755 -3.453 -4.181) 5.474 7.231 ( -1.453 0.436 -0.574) 1.622 7.248 ( 0.327 -1.003 1.285) 1.662 7.307 ( 1.579 1.788 1.506) 2.821 7.393 ( 3.641 -7.298 2.262) 8.464 9.849 ( -1.756 1.848 6.124) 6.633 9.895 ( -2.557 -2.852 7.329) 8.270 9.988 ( 1.714 0.600 -6.449) 6.700 10.002 ( 1.476 -0.798 -5.659) 5.902 10.313 ( 0.192 1.358 -0.766) 1.571 10.338 ( 0.339 -1.054 -0.914) 1.435 10.563 ( -2.297 1.042 9.449) 9.780 10.590 ( -2.479 -1.577 9.108) 9.570 11.242 ( -1.069 1.823 0.967) 2.324 11.270 ( -1.664 -0.834 0.270) 1.881 11.437 ( -6.234 6.128 -3.209) 9.312 11.521 ( -3.428 -2.650 -2.690) 5.100 11.634 ( -1.730 2.584 -1.904) 3.646 11.708 ( -2.991 -4.519 -2.010) 5.780 12.180 ( 8.483 2.411 -5.373) 10.327 12.236 ( 11.358 -3.267 -6.655) 13.563 ======================= Grid point 51 (29/87) ======================= q-point: ( 0.29 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 1.766 10.504 7.947) 13.289 0.956 ( 5.881 5.923 3.892) 9.209 1.063 ( -0.732 -8.078 7.068) 10.758 1.100 ( 0.773 -6.719 7.705) 10.252 1.392 ( 2.143 2.293 1.637) 3.540 1.469 ( -0.875 -5.646 0.705) 5.757 1.755 ( 1.169 4.874 -3.554) 6.144 1.825 ( 0.698 -1.082 -0.977) 1.616 1.889 ( -1.299 5.712 2.284) 6.288 1.958 ( -1.166 -2.424 3.307) 4.263 2.203 ( -1.233 0.957 7.923) 8.076 2.210 ( -3.039 0.457 9.802) 10.272 2.261 ( -0.713 3.095 0.037) 3.176 2.305 ( -1.412 -1.582 6.469) 6.808 2.450 ( 0.789 3.230 0.430) 3.353 2.522 ( -1.144 -3.500 0.739) 3.756 2.781 ( -0.803 6.657 -2.511) 7.160 2.891 ( 0.589 -3.529 -4.662) 5.877 3.347 ( 2.359 5.015 3.513) 6.562 3.453 ( 0.457 -5.080 0.833) 5.168 3.585 ( 0.355 9.384 -1.327) 9.484 3.663 ( -0.427 4.917 -1.369) 5.122 3.820 ( 0.178 -3.908 -2.543) 4.666 3.849 ( -0.717 -3.599 -3.127) 4.821 3.984 ( 0.256 3.493 1.661) 3.876 4.067 ( 1.775 -3.625 -0.416) 4.058 4.275 ( -1.820 5.774 -0.944) 6.128 4.389 ( -1.459 -5.106 -1.772) 5.598 4.622 ( -2.544 2.857 7.571) 8.482 4.675 ( -3.864 -2.278 8.214) 9.359 5.144 ( -1.760 5.265 -2.246) 5.989 5.207 ( 1.959 -1.130 -7.108) 7.459 5.538 ( 0.749 7.795 -3.174) 8.450 5.660 ( 0.857 -2.691 -0.651) 2.899 5.824 ( -3.574 12.636 -1.182) 13.184 5.991 ( -3.221 6.010 3.730) 7.773 6.099 ( -1.996 -11.346 -2.459) 11.779 6.188 ( -2.482 -8.650 0.444) 9.010 6.577 ( 1.366 0.242 -1.064) 1.748 6.606 ( 1.178 -2.884 -4.019) 5.085 7.190 ( -1.483 1.339 -0.951) 2.213 7.224 ( -1.409 -1.621 -0.627) 2.238 7.356 ( 1.097 2.173 1.661) 2.947 7.446 ( 0.954 -6.955 0.401) 7.031 9.843 ( -1.839 1.373 5.261) 5.740 9.875 ( -2.898 -1.775 5.882) 6.793 9.982 ( 1.203 0.672 -6.579) 6.722 9.994 ( 1.113 -0.501 -6.336) 6.453 10.318 ( 0.401 1.325 0.006) 1.385 10.340 ( 0.179 -0.831 -0.338) 0.915 10.573 ( -1.830 0.688 9.203) 9.408 10.592 ( -2.281 -1.181 8.906) 9.269 11.218 ( -1.685 1.245 0.387) 2.130 11.225 ( -2.379 0.513 0.621) 2.511 11.331 ( -3.253 5.492 -0.649) 6.416 11.434 ( -3.240 -4.221 -1.754) 5.602 11.623 ( 0.766 1.115 -1.753) 2.214 11.672 ( -0.279 -3.860 -1.427) 4.125 12.298 ( 6.274 4.161 -6.496) 9.944 12.382 ( 7.285 -4.180 -7.921) 11.545 ======================= Grid point 52 (30/87) ======================= q-point: ( 0.43 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -1.384 7.183 4.777) 8.737 1.072 ( -1.587 -9.407 3.814) 10.274 1.104 ( 5.428 2.069 3.940) 7.019 1.160 ( 0.993 -2.768 5.187) 5.962 1.399 ( -1.605 1.543 0.953) 2.422 1.448 ( -1.901 -4.323 2.823) 5.502 1.759 ( 1.436 5.511 -3.647) 6.763 1.823 ( -0.436 2.013 -2.329) 3.109 1.897 ( 1.380 3.997 0.949) 4.334 1.961 ( -0.249 -1.933 4.191) 4.622 2.192 ( -3.612 0.087 9.457) 10.124 2.208 ( -1.001 0.295 3.246) 3.409 2.258 ( -1.708 2.651 7.953) 8.555 2.330 ( -0.326 -2.984 6.711) 7.352 2.469 ( 0.672 1.351 -0.616) 1.630 2.495 ( -1.426 -2.252 -1.216) 2.930 2.763 ( 0.401 7.466 -0.543) 7.496 2.884 ( 1.005 -3.631 -4.339) 5.746 3.377 ( -0.577 4.125 1.212) 4.338 3.461 ( -0.339 -4.051 -0.125) 4.067 3.585 ( 1.019 14.470 -1.527) 14.586 3.661 ( 0.154 7.305 0.398) 7.317 3.794 ( -0.574 -5.697 -2.506) 6.251 3.840 ( 0.918 -7.559 -2.290) 7.951 3.978 ( -1.435 5.143 1.251) 5.484 4.087 ( 0.313 -4.364 -1.131) 4.519 4.251 ( -0.317 5.173 0.016) 5.183 4.363 ( -0.472 -5.398 -0.890) 5.491 4.617 ( -1.973 1.980 7.325) 7.840 4.653 ( -2.557 -1.472 8.168) 8.685 5.109 ( -0.485 7.224 -1.969) 7.504 5.217 ( 2.773 -3.323 -6.985) 8.217 5.532 ( -0.034 8.242 -1.661) 8.407 5.665 ( 0.361 -3.339 -2.192) 4.011 5.781 ( -0.309 13.326 0.300) 13.333 5.965 ( -1.600 6.822 4.161) 8.149 6.059 ( -0.563 -12.365 -1.305) 12.446 6.163 ( -0.511 -10.575 1.194) 10.654 6.580 ( 0.043 0.479 -2.353) 2.401 6.617 ( 1.537 -3.686 -2.527) 4.726 7.171 ( 0.005 1.654 -0.517) 1.733 7.203 ( -0.250 -1.318 -0.474) 1.422 7.360 ( -0.962 2.049 -0.383) 2.296 7.444 ( -0.766 -6.322 -1.409) 6.522 9.833 ( -1.917 0.791 4.522) 4.975 9.851 ( -2.190 -0.941 4.918) 5.465 9.967 ( 1.155 0.728 -7.145) 7.275 9.982 ( 1.342 -0.669 -7.109) 7.265 10.328 ( 0.266 1.165 0.894) 1.492 10.344 ( 0.334 -0.444 0.479) 0.733 10.585 ( -1.892 0.151 8.738) 8.942 10.591 ( -2.617 -0.447 8.628) 9.027 11.189 ( -0.892 0.793 0.221) 1.214 11.197 ( -1.103 0.054 0.913) 1.433 11.292 ( -0.755 4.930 0.450) 5.007 11.388 ( -0.615 -4.315 -0.829) 4.437 11.631 ( 0.843 0.604 -1.746) 2.031 11.667 ( 0.407 -3.191 -1.265) 3.457 12.357 ( 3.267 4.894 -7.086) 9.211 12.449 ( 3.933 -4.296 -8.042) 9.930 ======================= Grid point 53 (31/87) ======================= q-point: (-0.43 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -4.233 6.678 3.363) 8.592 1.019 ( -4.829 -8.584 2.770) 10.231 1.157 ( -2.421 1.865 2.174) 3.750 1.190 ( -0.742 -0.972 4.249) 4.421 1.363 ( -2.619 1.174 1.778) 3.376 1.427 ( -1.928 -5.900 4.135) 7.458 1.756 ( -0.221 5.609 -4.508) 7.199 1.800 ( -0.143 3.802 -0.662) 3.862 1.955 ( 3.921 1.506 0.073) 4.201 1.998 ( 1.440 -1.629 4.273) 4.795 2.181 ( -2.224 1.980 9.031) 9.509 2.212 ( -0.468 2.229 3.444) 4.129 2.264 ( -3.017 -0.018 11.693) 12.076 2.346 ( -1.810 -4.228 6.560) 8.011 2.450 ( -1.680 0.292 -1.631) 2.360 2.465 ( -0.475 -0.815 -3.139) 3.278 2.788 ( 1.522 7.431 0.275) 7.590 2.889 ( 2.072 -2.192 -3.860) 4.899 3.342 ( -3.312 4.626 0.490) 5.710 3.435 ( -1.515 -3.724 -1.011) 4.146 3.606 ( 0.553 10.411 -0.088) 10.426 3.673 ( 1.082 7.766 0.855) 7.887 3.784 ( 1.223 -4.601 -3.741) 6.055 3.857 ( 2.199 -7.202 -1.453) 7.669 3.952 ( -1.417 5.891 0.218) 6.063 4.065 ( -1.637 -4.502 -1.992) 5.188 4.259 ( 0.989 4.544 0.081) 4.651 4.358 ( 0.644 -4.863 -1.132) 5.035 4.619 ( -1.783 2.072 7.253) 7.751 4.664 ( -1.002 -2.152 8.792) 9.107 5.107 ( 1.396 8.095 -1.994) 8.453 5.238 ( 2.910 -4.745 -6.707) 8.716 5.523 ( 0.069 8.007 -1.193) 8.096 5.651 ( -0.106 -3.242 -3.388) 4.691 5.821 ( 3.708 11.889 2.119) 12.633 5.966 ( -0.661 7.147 4.103) 8.267 6.078 ( 3.004 -10.826 0.170) 11.236 6.178 ( 1.234 -11.129 1.414) 11.286 6.566 ( 0.113 1.682 -2.729) 3.208 6.629 ( 0.979 -4.604 -2.709) 5.431 7.183 ( 1.200 1.537 0.051) 1.951 7.207 ( 0.640 -0.558 -0.545) 1.009 7.322 ( -1.954 1.829 -1.688) 3.164 7.403 ( -2.074 -6.247 -3.138) 7.292 9.816 ( -1.805 1.310 4.066) 4.637 9.845 ( -1.220 -1.448 4.853) 5.209 9.955 ( 1.720 0.829 -7.561) 7.799 9.973 ( 1.819 -0.924 -7.450) 7.724 10.337 ( 0.128 1.356 1.407) 1.958 10.357 ( 0.510 -0.555 0.670) 1.008 10.581 ( -2.875 0.334 8.721) 9.189 10.590 ( -2.225 -0.526 8.509) 8.811 11.186 ( 0.330 0.909 0.153) 0.979 11.194 ( 0.488 0.105 0.680) 0.843 11.304 ( 1.576 4.674 1.101) 5.053 11.399 ( 1.955 -4.226 -0.305) 4.666 11.635 ( 0.482 0.693 -1.538) 1.754 11.671 ( 0.621 -3.087 -1.130) 3.346 12.352 ( 0.208 5.195 -7.349) 9.002 12.454 ( 0.828 -4.863 -8.115) 9.497 ======================= Grid point 54 (32/87) ======================= q-point: (-0.29 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -5.724 10.253 3.847) 12.357 0.943 ( -4.039 -4.257 3.128) 6.650 1.082 ( -5.780 2.619 2.328) 6.760 1.155 ( -4.951 -1.794 8.072) 9.638 1.318 ( -2.774 1.087 1.769) 3.465 1.410 ( -1.834 -8.535 1.939) 8.942 1.729 ( 0.036 6.295 -2.685) 6.844 1.798 ( -0.182 0.593 0.031) 0.621 2.017 ( 0.862 0.613 0.270) 1.092 2.037 ( -0.441 -0.370 5.098) 5.131 2.196 ( -3.256 3.349 14.165) 14.915 2.230 ( 1.924 5.862 -1.211) 6.288 2.268 ( -3.694 -3.499 14.643) 15.502 2.328 ( -2.246 -2.832 2.239) 4.252 2.418 ( -0.262 0.192 -1.587) 1.619 2.449 ( 1.578 -2.625 -2.561) 3.993 2.809 ( 1.043 10.315 -2.127) 10.583 2.922 ( 2.643 -1.429 -3.192) 4.384 3.266 ( -4.097 4.560 0.336) 6.139 3.400 ( -1.703 -7.432 0.894) 7.677 3.589 ( -1.705 7.439 0.335) 7.639 3.715 ( 1.885 -0.251 1.003) 2.150 3.798 ( 2.469 3.604 -4.867) 6.540 3.917 ( 3.806 -4.867 -0.661) 6.214 3.923 ( -1.366 4.136 -0.969) 4.462 4.010 ( -2.166 -3.844 -2.604) 5.124 4.284 ( 1.606 4.846 -1.010) 5.204 4.382 ( 2.572 -4.542 -2.020) 5.597 4.626 ( -1.509 3.099 7.596) 8.341 4.698 ( -0.779 -3.585 9.099) 9.810 5.139 ( 2.875 7.190 -2.383) 8.102 5.255 ( 2.267 -4.394 -6.516) 8.180 5.525 ( 0.932 6.964 -1.697) 7.228 5.633 ( 0.218 -2.732 -3.350) 4.328 5.947 ( 7.393 8.703 2.484) 11.687 5.980 ( -0.329 6.737 4.535) 8.128 6.173 ( 5.732 -7.972 0.846) 9.855 6.223 ( 2.525 -9.720 0.945) 10.087 6.562 ( 0.935 2.530 -1.765) 3.224 6.633 ( 1.232 -4.238 -2.882) 5.272 7.191 ( -1.375 1.312 -2.589) 3.212 7.212 ( 0.237 -0.339 -1.226) 1.294 7.290 ( -0.132 0.331 -0.256) 0.439 7.334 ( -2.375 -4.638 -2.986) 6.006 9.811 ( -0.944 1.695 4.462) 4.866 9.849 ( -1.041 -2.075 5.265) 5.754 9.957 ( 2.477 0.771 -7.187) 7.641 9.975 ( 2.269 -0.937 -7.184) 7.592 10.346 ( -0.188 1.142 1.465) 1.867 10.365 ( -0.085 -0.622 0.033) 0.629 10.573 ( -2.751 0.714 9.144) 9.576 10.590 ( -2.377 -0.938 8.826) 9.188 11.202 ( 1.178 1.544 0.176) 1.950 11.222 ( 1.908 -0.234 0.150) 1.928 11.368 ( 4.479 5.379 0.993) 7.070 11.461 ( 4.397 -3.539 -0.541) 5.671 11.637 ( 0.524 1.189 -1.115) 1.712 11.683 ( 1.295 -3.555 -0.953) 3.902 12.284 ( -3.123 4.712 -7.339) 9.264 12.386 ( -3.493 -5.488 -8.562) 10.753 ======================= Grid point 55 (33/87) ======================= q-point: (-0.14 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -1.397 15.760 5.150) 16.639 0.878 ( -4.786 10.262 6.076) 12.851 0.982 ( -6.095 -1.866 6.807) 9.326 1.128 ( -1.887 -7.224 8.530) 11.337 1.273 ( -3.178 0.439 3.638) 4.851 1.374 ( -1.622 -9.978 -0.060) 10.109 1.725 ( 0.528 6.312 -2.148) 6.689 1.801 ( 0.404 -0.636 1.233) 1.445 1.992 ( -3.406 1.798 4.642) 6.031 2.035 ( -2.517 -1.132 3.800) 4.697 2.193 ( -3.602 0.882 10.839) 11.456 2.234 ( -3.437 -0.258 9.021) 9.657 2.269 ( -0.297 0.230 -0.802) 0.886 2.322 ( 0.660 -2.087 2.152) 3.069 2.434 ( 1.801 2.887 0.509) 3.440 2.496 ( 2.351 -2.750 1.133) 3.792 2.808 ( 0.883 13.231 -4.837) 14.115 2.948 ( 1.835 -1.810 -3.917) 4.689 3.198 ( -2.340 5.721 0.267) 6.187 3.391 ( -0.586 -11.295 4.430) 12.147 3.565 ( -0.856 7.790 1.096) 7.913 3.737 ( 0.500 -8.345 -1.591) 8.510 3.828 ( 2.525 10.599 -3.086) 11.324 3.889 ( -0.892 2.593 -2.342) 3.606 3.941 ( -1.548 -2.759 -1.350) 3.440 3.996 ( 2.464 -5.936 -2.126) 6.770 4.316 ( 2.396 5.937 -1.926) 6.686 4.428 ( 3.119 -5.041 -3.177) 6.725 4.638 ( -1.693 3.783 8.056) 9.059 4.722 ( -1.766 -4.176 8.984) 10.063 5.186 ( 3.081 4.213 -3.416) 6.238 5.255 ( 1.200 -2.736 -6.409) 7.071 5.537 ( 1.282 6.011 -2.601) 6.674 5.626 ( 0.776 -2.408 -2.762) 3.745 5.996 ( -0.782 7.209 4.836) 8.716 6.100 ( 6.130 1.735 -1.299) 6.502 6.265 ( 2.156 -7.308 -1.769) 7.822 6.297 ( 4.911 -4.531 -2.051) 6.989 6.586 ( 1.310 2.750 0.119) 3.048 6.653 ( 1.513 -3.533 -2.064) 4.362 7.138 ( -1.326 -0.186 -1.825) 2.263 7.150 ( -3.039 -1.598 -1.927) 3.937 7.303 ( 0.996 0.739 0.180) 1.253 7.323 ( 0.736 -1.087 0.375) 1.366 9.826 ( -0.437 1.459 5.557) 5.762 9.864 ( -0.639 -2.424 6.701) 7.154 9.974 ( 2.683 0.219 -6.345) 6.892 9.983 ( 2.246 -0.646 -6.846) 7.234 10.341 ( -0.947 0.493 0.947) 1.427 10.353 ( -0.694 -0.494 -0.886) 1.229 10.568 ( -2.808 0.966 9.389) 9.847 10.592 ( -2.357 -1.352 9.257) 9.647 11.229 ( 1.141 1.789 0.587) 2.202 11.260 ( 1.606 -1.175 -0.029) 1.991 11.494 ( 6.921 4.230 -1.367) 8.225 11.545 ( 3.675 -1.540 -1.766) 4.358 11.661 ( 3.675 2.823 -0.626) 4.676 11.729 ( 4.285 -3.729 -1.059) 5.778 12.155 ( -5.632 2.362 -6.753) 9.105 12.212 ( -9.099 -3.524 -8.386) 12.866 ======================= Grid point 70 (34/87) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 1.068 0.000 14.560) 14.599 0.879 ( -2.515 0.000 21.958) 22.102 1.186 ( -3.677 0.000 5.261) 6.418 1.274 ( -4.748 0.000 10.640) 11.652 1.314 ( 3.787 0.000 -4.465) 5.855 1.556 ( -1.734 0.000 -0.704) 1.872 1.593 ( 4.194 0.000 -0.453) 4.218 1.761 ( 1.074 0.000 -0.866) 1.379 1.798 ( -2.554 0.000 1.698) 3.067 2.057 ( 0.078 0.000 2.598) 2.599 2.105 ( 1.323 0.000 -1.090) 1.714 2.133 ( -0.364 0.000 -3.519) 3.538 2.312 ( -1.415 0.000 -2.876) 3.205 2.467 ( -6.332 0.000 17.805) 18.897 2.565 ( 0.298 0.000 7.138) 7.145 2.577 ( 0.846 0.000 2.857) 2.980 2.809 ( -7.125 0.000 13.446) 15.217 2.918 ( -2.916 0.000 6.795) 7.394 3.000 ( 2.927 0.000 1.994) 3.542 3.329 ( -1.592 0.000 -0.031) 1.592 3.547 ( -0.351 0.000 6.934) 6.943 3.736 ( 4.288 0.000 -5.404) 6.899 3.863 ( -0.249 0.000 -2.080) 2.095 3.899 ( 1.884 0.000 -0.140) 1.889 3.918 ( -2.015 0.000 2.170) 2.962 4.053 ( -2.626 0.000 -3.835) 4.648 4.104 ( 1.399 0.000 -4.052) 4.286 4.444 ( 0.705 0.000 -6.456) 6.494 4.728 ( 0.248 0.000 0.751) 0.791 4.977 ( -3.179 0.000 7.663) 8.297 4.992 ( 1.078 0.000 3.074) 3.258 5.063 ( 2.778 0.000 -6.384) 6.962 5.398 ( -8.061 0.000 -0.852) 8.106 5.665 ( -0.075 0.000 -2.876) 2.877 5.679 ( 1.650 0.000 5.680) 5.915 6.083 ( -10.239 0.000 5.638) 11.689 6.253 ( 1.974 0.000 -6.895) 7.172 6.486 ( -1.673 0.000 -4.830) 5.111 6.492 ( 1.272 0.000 -5.833) 5.970 6.581 ( 0.346 0.000 -3.596) 3.612 7.260 ( 4.093 0.000 2.178) 4.636 7.291 ( -1.106 0.000 -0.452) 1.195 7.313 ( -1.036 0.000 2.488) 2.695 7.502 ( 9.866 0.000 -0.872) 9.904 9.841 ( 2.307 0.000 -5.314) 5.794 9.881 ( -0.227 0.000 1.414) 1.432 9.890 ( 0.894 0.000 -4.353) 4.444 10.110 ( 2.580 0.000 -6.259) 6.770 10.331 ( -2.056 0.000 4.820) 5.240 10.709 ( -1.258 0.000 8.131) 8.227 10.747 ( -11.305 0.000 4.512) 12.173 10.776 ( -1.650 0.000 6.549) 6.753 11.141 ( -1.698 0.000 3.513) 3.902 11.252 ( -0.769 0.000 3.433) 3.518 11.307 ( 0.132 0.000 0.476) 0.494 11.545 ( 0.821 0.000 -3.503) 3.598 11.561 ( -0.340 0.000 -1.595) 1.631 11.789 ( 0.953 0.000 -4.232) 4.338 11.898 ( 7.423 0.000 -6.807) 10.072 11.967 ( 3.892 0.000 -8.124) 9.009 ======================= Grid point 71 (35/87) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 3.003 0.000 11.583) 11.966 0.926 ( -2.722 0.000 20.572) 20.751 1.187 ( 0.713 0.000 -1.009) 1.235 1.269 ( -0.970 0.000 8.622) 8.676 1.354 ( 2.501 0.000 -4.138) 4.835 1.529 ( -1.601 0.000 3.233) 3.608 1.659 ( 2.988 0.000 -0.117) 2.991 1.758 ( -1.136 0.000 -0.775) 1.375 1.776 ( -0.643 0.000 2.575) 2.654 2.049 ( -2.373 0.000 0.351) 2.398 2.087 ( -1.395 0.000 -5.946) 6.107 2.117 ( 1.451 0.000 -1.989) 2.462 2.290 ( 0.577 0.000 -1.152) 1.289 2.468 ( -4.550 0.000 21.353) 21.832 2.600 ( -1.057 0.000 8.184) 8.252 2.601 ( 0.200 0.000 2.387) 2.395 2.784 ( -2.088 0.000 8.824) 9.068 2.915 ( -2.474 0.000 11.526) 11.789 3.098 ( 5.495 0.000 1.609) 5.726 3.241 ( -5.915 0.000 -4.035) 7.160 3.582 ( 0.052 0.000 7.666) 7.667 3.731 ( -0.971 0.000 -6.615) 6.686 3.856 ( -4.465 0.000 1.759) 4.799 3.910 ( -0.155 0.000 -2.432) 2.437 3.918 ( 4.836 0.000 -0.255) 4.843 4.005 ( 0.403 0.000 -1.870) 1.913 4.111 ( 1.310 0.000 -3.394) 3.638 4.420 ( 0.830 0.000 -6.593) 6.645 4.718 ( -1.655 0.000 0.928) 1.898 4.947 ( -4.466 0.000 9.029) 10.074 5.015 ( -1.780 0.000 8.046) 8.240 5.099 ( 4.939 0.000 -10.992) 12.050 5.231 ( -7.585 0.000 5.375) 9.296 5.630 ( -1.573 0.000 -3.078) 3.457 5.722 ( -0.747 0.000 5.717) 5.766 5.989 ( -3.141 0.000 4.485) 5.475 6.251 ( 0.870 0.000 -4.861) 4.939 6.452 ( 0.092 0.000 -2.274) 2.276 6.494 ( 1.954 0.000 -5.921) 6.235 6.587 ( 2.358 0.000 -3.454) 4.182 7.236 ( -3.654 0.000 -0.827) 3.747 7.261 ( -1.759 0.000 -0.807) 1.935 7.374 ( 2.365 0.000 4.170) 4.794 7.613 ( 3.179 0.000 -4.558) 5.557 9.851 ( 1.521 0.000 -5.338) 5.551 9.879 ( -0.395 0.000 1.063) 1.134 9.882 ( 0.765 0.000 -4.839) 4.899 10.086 ( -2.094 0.000 -4.285) 4.770 10.329 ( -1.132 0.000 6.358) 6.458 10.530 ( -10.692 0.000 9.329) 14.190 10.727 ( -1.760 0.000 8.961) 9.132 10.778 ( -1.470 0.000 5.732) 5.917 11.131 ( -0.786 0.000 2.781) 2.890 11.251 ( -1.103 0.000 3.460) 3.632 11.298 ( -1.622 0.000 1.435) 2.166 11.515 ( -1.548 0.000 -3.531) 3.855 11.556 ( 0.816 0.000 -1.873) 2.043 11.779 ( 0.409 0.000 -4.288) 4.307 11.975 ( 5.214 0.000 -8.830) 10.255 12.116 ( 11.985 0.000 -11.832) 16.841 ======================= Grid point 72 (36/87) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 1.461 0.000 6.260) 6.428 1.029 ( 3.119 0.000 16.053) 16.353 1.176 ( -0.117 0.000 -2.938) 2.941 1.304 ( 0.483 0.000 1.758) 1.823 1.363 ( -0.410 0.000 -1.219) 1.286 1.531 ( -0.132 0.000 4.224) 4.226 1.696 ( -0.899 0.000 2.935) 3.069 1.716 ( -2.376 0.000 0.307) 2.396 1.815 ( 4.517 0.000 -1.160) 4.664 1.980 ( -3.369 0.000 -2.687) 4.309 2.054 ( 1.660 0.000 -4.239) 4.553 2.123 ( 0.049 0.000 -3.044) 3.045 2.332 ( 3.347 0.000 1.069) 3.513 2.497 ( -3.705 0.000 19.218) 19.572 2.605 ( -1.160 0.000 1.322) 1.759 2.616 ( -1.737 0.000 6.999) 7.211 2.783 ( -2.755 0.000 7.639) 8.121 2.925 ( -3.552 0.000 13.668) 14.122 3.100 ( -4.396 0.000 -3.960) 5.917 3.207 ( 3.553 0.000 2.024) 4.089 3.621 ( -0.845 0.000 7.846) 7.891 3.681 ( -0.280 0.000 -5.200) 5.207 3.786 ( -3.672 0.000 3.641) 5.172 3.878 ( -0.885 0.000 -3.647) 3.753 3.958 ( 0.020 0.000 -0.639) 0.639 4.048 ( 2.863 0.000 -3.605) 4.604 4.132 ( 2.972 0.000 -2.524) 3.899 4.413 ( 1.677 0.000 -5.892) 6.126 4.686 ( -1.891 0.000 1.794) 2.606 4.899 ( -5.093 0.000 9.748) 10.998 5.008 ( -3.283 0.000 7.917) 8.571 5.126 ( 3.560 0.000 -10.460) 11.049 5.183 ( -0.706 0.000 6.286) 6.325 5.591 ( -0.192 0.000 -3.035) 3.041 5.711 ( -2.966 0.000 4.514) 5.402 5.961 ( -1.728 0.000 2.393) 2.952 6.236 ( -0.245 0.000 -2.567) 2.579 6.458 ( 0.938 0.000 -0.465) 1.047 6.496 ( 1.507 0.000 -7.178) 7.335 6.634 ( 3.721 0.000 -3.141) 4.870 7.159 ( -3.035 0.000 -1.034) 3.207 7.221 ( -1.525 0.000 -1.305) 2.007 7.407 ( -0.724 0.000 2.038) 2.163 7.613 ( -0.168 0.000 -4.564) 4.567 9.843 ( 0.591 0.000 -5.176) 5.210 9.872 ( 1.155 0.000 -5.653) 5.769 9.882 ( 0.190 0.000 1.094) 1.111 10.000 ( -4.474 0.000 -1.355) 4.675 10.350 ( -0.403 0.000 6.382) 6.395 10.434 ( -4.714 0.000 8.586) 9.795 10.733 ( -1.932 0.000 7.456) 7.702 10.774 ( -2.326 0.000 6.358) 6.770 11.146 ( 0.917 0.000 2.434) 2.601 11.246 ( -1.358 0.000 3.424) 3.684 11.266 ( -2.661 0.000 3.427) 4.339 11.463 ( -1.473 0.000 -3.141) 3.469 11.568 ( 1.413 0.000 -2.647) 3.000 11.762 ( 0.351 0.000 -4.222) 4.236 12.027 ( 4.546 0.000 -8.953) 10.041 12.249 ( 8.555 0.000 -14.060) 16.459 ======================= Grid point 73 (37/87) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -2.184 0.000 2.589) 3.387 1.154 ( 0.763 0.000 -0.466) 0.894 1.210 ( 5.326 0.000 8.522) 10.049 1.276 ( -3.437 0.000 -0.963) 3.569 1.325 ( -3.188 0.000 1.504) 3.525 1.561 ( 1.375 0.000 1.215) 1.835 1.660 ( -3.510 0.000 1.784) 3.937 1.687 ( -1.082 0.000 2.279) 2.523 1.912 ( -1.596 0.000 -1.586) 2.250 1.926 ( 6.193 0.000 0.059) 6.194 2.099 ( 0.027 0.000 -4.134) 4.134 2.102 ( 4.272 0.000 -3.198) 5.336 2.394 ( 1.988 0.000 -0.686) 2.103 2.509 ( -2.945 0.000 6.026) 6.707 2.563 ( -2.866 0.000 -0.614) 2.931 2.620 ( -2.598 0.000 16.292) 16.498 2.742 ( -4.201 0.000 2.107) 4.700 2.931 ( -5.131 0.000 20.937) 21.556 3.070 ( 2.264 0.000 0.652) 2.356 3.243 ( -0.537 0.000 0.879) 1.030 3.622 ( -2.796 0.000 7.342) 7.857 3.671 ( 1.404 0.000 -2.868) 3.193 3.740 ( -4.207 0.000 6.053) 7.371 3.854 ( 0.698 0.000 -4.229) 4.286 3.953 ( 0.515 0.000 -2.685) 2.734 4.043 ( 0.071 0.000 -5.263) 5.263 4.178 ( 2.074 0.000 -2.850) 3.524 4.412 ( 1.026 0.000 -5.264) 5.364 4.669 ( -0.779 0.000 1.306) 1.521 4.871 ( -2.605 0.000 10.364) 10.687 4.973 ( -3.470 0.000 5.284) 6.321 5.139 ( 2.683 0.000 -7.231) 7.712 5.247 ( 2.914 0.000 7.233) 7.798 5.596 ( 2.183 0.000 -3.074) 3.770 5.659 ( -3.628 0.000 1.558) 3.949 5.964 ( 0.693 0.000 4.516) 4.568 6.226 ( 0.405 0.000 -0.744) 0.847 6.468 ( 0.103 0.000 -0.529) 0.539 6.474 ( 0.661 0.000 -8.523) 8.548 6.682 ( 2.530 0.000 -4.013) 4.744 7.122 ( -0.068 0.000 -0.536) 0.541 7.188 ( -1.095 0.000 -1.662) 1.990 7.377 ( -2.573 0.000 0.530) 2.627 7.570 ( -1.481 0.000 -4.779) 5.003 9.823 ( 0.361 0.000 -5.454) 5.466 9.867 ( 1.478 0.000 -5.821) 6.006 9.891 ( -1.851 0.000 2.318) 2.966 9.919 ( -0.890 0.000 -1.722) 1.938 10.373 ( -0.389 0.000 4.412) 4.429 10.415 ( -2.344 0.000 10.149) 10.416 10.732 ( -1.771 0.000 5.075) 5.375 10.758 ( -2.736 0.000 7.883) 8.344 11.181 ( 0.572 0.000 2.234) 2.306 11.233 ( -1.576 0.000 3.166) 3.536 11.242 ( -1.459 0.000 4.915) 5.127 11.435 ( 0.241 0.000 -2.541) 2.553 11.578 ( 1.174 0.000 -3.023) 3.243 11.752 ( 0.892 0.000 -4.017) 4.115 12.052 ( 2.741 0.000 -9.120) 9.523 12.314 ( 6.008 0.000 -14.979) 16.139 ======================= Grid point 74 (38/87) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -6.195 0.000 1.847) 6.464 1.106 ( -9.406 0.000 -0.636) 9.427 1.174 ( 0.156 0.000 -0.822) 0.837 1.264 ( -3.329 0.000 1.556) 3.674 1.374 ( 2.966 0.000 10.464) 10.876 1.594 ( -3.040 0.000 0.241) 3.049 1.602 ( 2.331 0.000 0.597) 2.407 1.688 ( 0.058 0.000 1.034) 1.035 1.907 ( 1.046 0.000 0.809) 1.322 2.016 ( 1.308 0.000 0.445) 1.381 2.086 ( 0.364 0.000 -2.912) 2.934 2.158 ( 2.869 0.000 -4.058) 4.970 2.401 ( 0.416 0.000 -4.081) 4.102 2.463 ( -1.675 0.000 -1.315) 2.129 2.513 ( -1.329 0.000 -0.632) 1.471 2.666 ( -3.409 0.000 1.629) 3.778 2.698 ( -2.097 0.000 26.389) 26.472 2.929 ( -6.518 0.000 21.004) 21.992 3.159 ( 4.610 0.000 2.864) 5.428 3.209 ( -2.470 0.000 -1.191) 2.742 3.610 ( -2.568 0.000 6.891) 7.354 3.682 ( -3.848 0.000 6.278) 7.364 3.692 ( 1.505 0.000 -2.612) 3.014 3.855 ( 1.532 0.000 -3.712) 4.016 3.945 ( 1.233 0.000 -3.845) 4.037 4.032 ( 1.125 0.000 -4.619) 4.754 4.176 ( -0.286 0.000 -3.393) 3.405 4.400 ( 0.885 0.000 -4.895) 4.975 4.665 ( -0.296 0.000 1.497) 1.526 4.910 ( 0.579 0.000 9.982) 9.999 4.940 ( -2.087 0.000 3.790) 4.327 5.147 ( 1.340 0.000 -5.968) 6.116 5.353 ( 3.069 0.000 8.211) 8.765 5.601 ( -1.883 0.000 -1.197) 2.231 5.630 ( 2.645 0.000 -3.501) 4.388 6.052 ( 4.725 0.000 8.666) 9.870 6.244 ( 1.596 0.000 -1.190) 1.991 6.448 ( 1.731 0.000 -7.685) 7.878 6.461 ( 0.181 0.000 -1.682) 1.691 6.679 ( -0.025 0.000 -5.929) 5.929 7.146 ( 2.263 0.000 -0.083) 2.264 7.156 ( -1.183 0.000 -1.911) 2.247 7.335 ( -1.600 0.000 1.099) 1.941 7.498 ( -3.190 0.000 -5.391) 6.264 9.805 ( 0.980 0.000 -5.723) 5.806 9.844 ( -1.905 0.000 1.159) 2.230 9.869 ( 1.782 0.000 -5.338) 5.628 9.945 ( 2.207 0.000 -0.176) 2.214 10.382 ( -0.730 0.000 3.168) 3.251 10.445 ( -0.577 0.000 12.016) 12.029 10.715 ( -2.337 0.000 4.900) 5.429 10.759 ( -1.720 0.000 7.926) 8.110 11.180 ( -1.963 0.000 4.487) 4.897 11.223 ( -1.012 0.000 3.197) 3.353 11.263 ( 0.900 0.000 2.131) 2.313 11.444 ( 1.901 0.000 -2.421) 3.078 11.583 ( 0.837 0.000 -2.452) 2.591 11.756 ( 1.612 0.000 -3.793) 4.121 12.037 ( 0.785 0.000 -9.376) 9.408 12.325 ( 3.238 0.000 -16.251) 16.570 ======================= Grid point 75 (39/87) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -7.446 0.000 5.464) 9.235 0.896 ( -11.540 0.000 9.001) 14.635 1.195 ( 1.734 0.000 -0.735) 1.883 1.232 ( 0.099 0.000 -0.359) 0.372 1.425 ( -3.278 0.000 13.134) 13.537 1.549 ( -2.691 0.000 0.190) 2.697 1.635 ( -0.203 0.000 0.168) 0.263 1.701 ( 1.593 0.000 -1.001) 1.881 1.956 ( 3.425 0.000 0.710) 3.498 1.966 ( -4.701 0.000 -2.423) 5.288 2.072 ( -0.949 0.000 0.172) 0.965 2.169 ( 0.748 0.000 -4.247) 4.312 2.385 ( 0.529 0.000 -5.157) 5.184 2.454 ( 1.121 0.000 -0.055) 1.122 2.508 ( 0.678 0.000 0.911) 1.136 2.614 ( -5.808 0.000 11.404) 12.798 2.800 ( -2.668 0.000 26.826) 26.958 2.916 ( -3.889 0.000 14.128) 14.653 3.137 ( -3.365 0.000 -4.842) 5.896 3.255 ( 3.375 0.000 2.633) 4.281 3.554 ( -4.885 0.000 5.003) 6.992 3.687 ( 0.433 0.000 -4.795) 4.815 3.721 ( 2.998 0.000 8.091) 8.629 3.874 ( 2.058 0.000 -2.664) 3.366 3.985 ( 0.758 0.000 -4.047) 4.117 4.013 ( 2.382 0.000 -2.193) 3.238 4.144 ( -0.662 0.000 -4.354) 4.404 4.413 ( 2.971 0.000 -4.578) 5.458 4.677 ( 0.494 0.000 2.408) 2.458 4.934 ( -0.385 0.000 2.908) 2.933 4.973 ( 0.178 0.000 8.027) 8.029 5.119 ( -0.778 0.000 -6.095) 6.145 5.442 ( 1.614 0.000 6.739) 6.930 5.582 ( 0.879 0.000 -1.571) 1.801 5.656 ( 1.914 0.000 -3.739) 4.200 6.220 ( 5.135 0.000 9.708) 10.982 6.257 ( 1.438 0.000 -5.505) 5.690 6.473 ( 3.488 0.000 -4.349) 5.574 6.481 ( 4.029 0.000 -2.957) 4.998 6.633 ( -0.813 0.000 -6.112) 6.166 7.129 ( -0.143 0.000 -1.129) 1.138 7.192 ( 2.111 0.000 -0.770) 2.247 7.327 ( -0.357 0.000 2.011) 2.042 7.389 ( -4.688 0.000 -3.314) 5.741 9.803 ( 1.941 0.000 -5.572) 5.901 9.840 ( 0.594 0.000 1.708) 1.808 9.880 ( 1.914 0.000 -4.688) 5.064 9.995 ( 3.285 0.000 -1.079) 3.458 10.376 ( -1.524 0.000 2.722) 3.120 10.538 ( 3.370 0.000 14.220) 14.614 10.699 ( -2.005 0.000 5.518) 5.871 10.767 ( -1.704 0.000 7.733) 7.918 11.165 ( -1.977 0.000 5.147) 5.513 11.229 ( -0.268 0.000 3.477) 3.488 11.284 ( 0.630 0.000 0.178) 0.655 11.479 ( 2.998 0.000 -2.911) 4.179 11.585 ( 0.419 0.000 -1.673) 1.725 11.771 ( 1.878 0.000 -3.826) 4.262 11.987 ( -0.483 0.000 -9.653) 9.665 12.249 ( -2.219 0.000 -17.970) 18.106 ======================= Grid point 76 (40/87) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -4.295 0.000 11.676) 12.441 0.812 ( -4.497 0.000 20.384) 20.874 1.220 ( 0.468 0.000 -0.370) 0.597 1.260 ( 3.277 0.000 -3.015) 4.453 1.379 ( -11.537 0.000 17.388) 20.867 1.511 ( 2.425 0.000 -0.546) 2.486 1.601 ( -1.802 0.000 -2.397) 2.999 1.734 ( 1.784 0.000 -0.458) 1.841 1.861 ( -3.977 0.000 -1.532) 4.262 2.031 ( 2.942 0.000 -0.801) 3.049 2.068 ( 0.397 0.000 3.188) 3.213 2.154 ( -0.158 0.000 -2.976) 2.980 2.358 ( -0.847 0.000 -4.128) 4.214 2.487 ( 0.586 0.000 2.591) 2.657 2.540 ( 1.279 0.000 2.482) 2.792 2.556 ( -6.590 0.000 15.323) 16.680 2.856 ( -6.741 0.000 26.915) 27.747 2.929 ( -0.778 0.000 6.734) 6.778 3.019 ( -4.000 0.000 -8.038) 8.979 3.318 ( 1.540 0.000 2.290) 2.760 3.521 ( -1.363 0.000 6.701) 6.838 3.686 ( 2.686 0.000 -5.291) 5.934 3.833 ( 3.098 0.000 6.773) 7.448 3.907 ( 2.232 0.000 -1.564) 2.725 3.916 ( -2.794 0.000 -3.671) 4.613 4.084 ( 2.487 0.000 -2.725) 3.690 4.111 ( 0.010 0.000 -4.878) 4.878 4.446 ( 2.458 0.000 -5.366) 5.903 4.706 ( 0.968 0.000 2.094) 2.307 4.954 ( 1.204 0.000 1.294) 1.767 4.992 ( -2.023 0.000 6.647) 6.948 5.070 ( -0.440 0.000 -5.020) 5.039 5.480 ( -0.402 0.000 0.764) 0.863 5.616 ( 2.115 0.000 2.241) 3.081 5.668 ( 1.195 0.000 -3.255) 3.467 6.253 ( 1.895 0.000 -7.570) 7.803 6.256 ( -5.688 0.000 3.608) 6.736 6.500 ( 1.538 0.000 -5.526) 5.736 6.550 ( 1.510 0.000 -7.959) 8.101 6.599 ( 0.009 0.000 -3.789) 3.789 7.161 ( 3.378 0.000 1.604) 3.740 7.245 ( 5.286 0.000 1.612) 5.527 7.328 ( -0.843 0.000 1.804) 1.992 7.341 ( 0.963 0.000 2.910) 3.065 9.820 ( 2.536 0.000 -5.312) 5.887 9.867 ( 0.727 0.000 1.779) 1.922 9.890 ( 1.473 0.000 -4.316) 4.561 10.063 ( 4.524 0.000 -4.074) 6.088 10.354 ( -2.164 0.000 3.199) 3.862 10.696 ( -1.501 0.000 6.535) 6.705 10.732 ( 7.291 0.000 10.783) 13.017 10.773 ( -1.831 0.000 7.456) 7.677 11.155 ( -1.810 0.000 4.578) 4.922 11.244 ( -0.300 0.000 3.496) 3.509 11.296 ( 0.643 0.000 -0.062) 0.646 11.524 ( 2.867 0.000 -3.396) 4.445 11.578 ( -0.321 0.000 -1.531) 1.565 11.785 ( 1.585 0.000 -4.045) 4.345 11.916 ( -1.622 0.000 -10.034) 10.164 12.049 ( -6.880 0.000 -13.241) 14.922 ======================= Grid point 77 (41/87) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.792 1.667 14.341) 14.460 0.952 ( -2.995 6.192 19.338) 20.525 1.234 ( -0.267 -3.622 2.869) 4.628 1.289 ( -5.498 3.420 11.266) 12.994 1.355 ( 2.883 5.164 -0.887) 5.980 1.491 ( 1.893 -3.582 -2.826) 4.940 1.523 ( -0.591 -4.061 1.496) 4.368 1.826 ( -0.549 3.682 1.702) 4.094 1.919 ( -2.025 7.434 -3.182) 8.336 2.037 ( -0.297 -2.813 1.702) 3.301 2.153 ( 1.390 3.825 -2.793) 4.936 2.272 ( 1.297 7.022 -1.443) 7.285 2.296 ( -2.061 3.552 -3.584) 5.451 2.492 ( -5.936 2.316 17.129) 18.276 2.537 ( 2.254 -0.243 4.522) 5.059 2.597 ( 0.491 0.030 2.876) 2.918 2.774 ( -6.584 -3.141 15.385) 17.027 2.911 ( -2.103 -1.091 5.159) 5.677 3.075 ( 2.286 7.317 3.415) 8.392 3.463 ( -1.579 10.512 -3.315) 11.135 3.540 ( -0.430 -0.093 5.160) 5.178 3.733 ( 1.024 -1.987 -2.718) 3.519 3.791 ( 0.426 -4.401 3.601) 5.702 3.847 ( 0.596 -2.946 -2.654) 4.010 3.914 ( 0.585 -0.818 -1.573) 1.867 4.048 ( -0.427 -1.489 -4.407) 4.671 4.171 ( 1.238 5.152 -3.707) 6.467 4.416 ( 1.336 -2.627 -7.395) 7.961 4.751 ( -1.317 2.576 6.045) 6.702 4.966 ( -2.370 -0.952 7.799) 8.206 5.053 ( 3.734 2.587 -8.155) 9.335 5.092 ( -1.633 4.421 2.137) 5.174 5.404 ( -3.319 0.647 -2.814) 4.399 5.657 ( 1.578 -0.962 1.837) 2.606 5.788 ( -1.668 10.431 -2.304) 10.812 6.061 ( -6.524 -1.468 4.381) 7.994 6.271 ( 0.218 0.783 -5.162) 5.226 6.351 ( -0.307 -9.196 -5.383) 10.660 6.527 ( 0.070 0.172 -3.672) 3.677 6.568 ( -0.102 -1.363 -5.041) 5.223 7.250 ( 4.237 -0.884 2.536) 5.017 7.278 ( -1.301 -1.629 1.137) 2.374 7.301 ( 0.010 -0.550 0.475) 0.727 7.441 ( 7.265 -5.251 0.294) 8.969 9.844 ( 2.122 0.386 -5.061) 5.501 9.885 ( 1.055 -0.504 -4.354) 4.508 9.898 ( -0.042 1.674 1.389) 2.176 10.081 ( 2.127 -2.798 -4.110) 5.408 10.335 ( -1.988 0.422 4.735) 5.153 10.529 ( -5.089 -10.276 9.983) 15.204 10.730 ( -2.622 0.408 8.804) 9.195 10.788 ( -2.539 -0.718 6.917) 7.403 11.243 ( -0.766 1.686 1.434) 2.342 11.302 ( 0.324 -0.488 0.486) 0.761 11.335 ( -3.032 8.983 -2.475) 9.799 11.537 ( 0.580 -0.776 -3.166) 3.311 11.589 ( -1.282 2.787 -2.158) 3.751 11.768 ( 0.437 -1.790 -3.963) 4.371 11.912 ( 6.766 1.108 -6.966) 9.774 11.963 ( 4.086 -0.352 -8.043) 9.028 ======================= Grid point 78 (42/87) ======================= q-point: ( 0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 2.621 0.703 11.730) 12.039 0.973 ( -3.597 4.413 18.787) 19.630 1.238 ( -0.788 -1.650 2.722) 3.279 1.304 ( 1.454 3.013 4.224) 5.388 1.388 ( 0.739 5.283 -0.594) 5.367 1.490 ( -1.383 -3.470 5.692) 6.809 1.573 ( 4.372 -5.522 -4.356) 8.281 1.806 ( -2.016 3.303 -0.165) 3.873 1.861 ( -2.673 5.516 1.013) 6.213 2.032 ( -0.586 -1.562 -0.426) 1.721 2.137 ( -0.761 4.969 -4.793) 6.945 2.250 ( 0.009 2.897 -0.894) 3.032 2.279 ( 0.528 5.924 -2.745) 6.551 2.492 ( -4.314 2.040 18.647) 19.248 2.587 ( -0.026 0.096 5.556) 5.556 2.609 ( -1.060 -0.509 3.744) 3.924 2.759 ( -2.376 -2.089 10.750) 11.206 2.909 ( -2.425 -0.692 9.888) 10.204 3.168 ( 5.058 6.548 2.193) 8.559 3.372 ( -4.743 10.668 -5.482) 12.898 3.572 ( 0.551 -0.943 5.881) 5.981 3.702 ( -2.482 -3.000 0.267) 3.903 3.803 ( -1.087 -2.723 -1.481) 3.285 3.851 ( 0.886 -3.040 -3.419) 4.660 3.941 ( 3.592 0.715 -1.032) 3.805 4.033 ( 1.184 0.324 -2.347) 2.649 4.163 ( 0.028 4.618 -3.234) 5.638 4.397 ( 1.045 -2.133 -6.924) 7.320 4.745 ( -2.434 2.622 5.590) 6.637 4.941 ( -4.602 -0.729 9.169) 10.285 5.068 ( -1.118 1.410 0.421) 1.848 5.077 ( 1.469 2.421 -5.058) 5.797 5.320 ( -2.643 6.171 -0.298) 6.720 5.668 ( -1.338 3.423 -1.443) 3.948 5.730 ( -2.695 1.876 3.347) 4.689 6.007 ( -2.060 1.957 3.565) 4.558 6.253 ( -0.076 -1.062 -3.558) 3.714 6.330 ( 0.670 -8.352 -3.299) 9.005 6.525 ( 1.350 0.441 -5.055) 5.251 6.557 ( 1.854 -2.623 -3.215) 4.545 7.220 ( -3.111 -0.897 -0.704) 3.313 7.269 ( -2.085 0.180 -0.701) 2.207 7.354 ( 2.575 -1.631 3.354) 4.532 7.542 ( 3.157 -6.333 -2.890) 7.644 9.851 ( 1.226 0.158 -4.818) 4.974 9.878 ( 0.775 -0.338 -4.801) 4.875 9.900 ( -0.300 1.828 0.692) 1.977 10.064 ( -1.949 -2.159 -2.788) 4.029 10.335 ( -1.010 0.535 6.156) 6.261 10.462 ( -5.786 -4.752 9.280) 11.924 10.731 ( -2.067 0.379 8.743) 8.992 10.776 ( -2.118 -0.491 6.364) 6.725 11.203 ( -2.696 4.610 0.438) 5.358 11.271 ( -2.013 1.937 2.657) 3.856 11.304 ( -1.281 1.272 1.020) 2.073 11.504 ( -1.870 -1.151 -3.327) 3.986 11.564 ( 0.229 0.935 -1.685) 1.940 11.739 ( -0.580 -3.355 -3.644) 4.987 11.999 ( 6.205 1.918 -8.836) 10.966 12.104 ( 11.249 -1.128 -11.099) 15.843 ======================= Grid point 79 (43/87) ======================= q-point: ( 0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.617 -0.366 7.663) 7.696 1.054 ( 2.741 1.898 14.192) 14.579 1.235 ( -0.604 0.925 0.864) 1.402 1.341 ( 0.650 1.689 -0.097) 1.812 1.384 ( -1.465 3.897 1.783) 4.529 1.517 ( 1.532 -1.823 4.038) 4.687 1.601 ( 0.388 -6.499 -3.647) 7.463 1.740 ( -3.679 3.712 -0.594) 5.260 1.852 ( 0.852 1.722 1.502) 2.439 2.015 ( -0.320 1.375 -1.902) 2.369 2.097 ( 0.241 2.767 -5.259) 5.948 2.256 ( 0.020 10.848 -4.281) 11.662 2.310 ( 3.715 -0.647 3.142) 4.909 2.506 ( -3.333 0.725 14.898) 15.284 2.594 ( -2.004 -1.498 2.179) 3.318 2.606 ( -1.581 -0.263 7.634) 7.801 2.768 ( -2.649 -0.943 10.698) 11.062 2.906 ( -3.756 -1.201 11.610) 12.261 3.243 ( -0.991 9.606 -3.670) 10.331 3.281 ( 1.083 8.957 0.687) 9.048 3.607 ( -0.823 -1.644 6.181) 6.448 3.660 ( -1.994 -2.627 1.745) 3.731 3.772 ( 0.093 0.717 -3.110) 3.193 3.837 ( 0.060 -2.840 -3.837) 4.774 3.996 ( 0.482 1.211 0.552) 1.415 4.058 ( 2.386 0.085 -3.715) 4.416 4.155 ( 1.088 2.932 -2.138) 3.789 4.389 ( 1.444 -2.229 -5.737) 6.322 4.723 ( -2.363 3.197 5.036) 6.416 4.892 ( -5.140 -0.574 10.330) 11.553 5.045 ( -2.904 3.162 4.488) 6.210 5.073 ( 2.256 -1.315 -6.889) 7.367 5.311 ( 1.169 7.989 -0.083) 8.075 5.622 ( -1.154 4.608 -1.850) 5.098 5.704 ( -2.557 -1.047 3.121) 4.168 5.985 ( -1.648 2.164 2.044) 3.402 6.226 ( -1.036 -2.624 -1.711) 3.299 6.340 ( 1.290 -7.988 -1.351) 8.204 6.514 ( 0.891 -0.452 -6.939) 7.010 6.601 ( 3.264 -2.791 -2.117) 4.788 7.157 ( -2.264 0.110 -0.986) 2.471 7.225 ( -1.636 0.094 -1.050) 1.947 7.386 ( -0.547 -1.701 1.322) 2.222 7.551 ( -0.024 -5.496 -3.466) 6.497 9.843 ( 0.609 0.076 -4.800) 4.839 9.867 ( 0.958 -0.383 -5.360) 5.458 9.897 ( -0.134 1.322 0.530) 1.430 9.990 ( -3.969 -0.951 -0.925) 4.185 10.356 ( -0.374 0.562 6.262) 6.299 10.418 ( -3.396 -1.298 8.088) 8.868 10.736 ( -1.926 0.243 7.502) 7.749 10.769 ( -2.267 -0.511 6.598) 6.996 11.177 ( -0.456 2.577 1.480) 3.006 11.251 ( -1.779 0.389 3.077) 3.576 11.277 ( -2.135 1.395 2.787) 3.778 11.448 ( -1.685 -1.571 -2.778) 3.609 11.570 ( 1.172 0.337 -2.289) 2.594 11.716 ( 0.042 -3.795 -3.172) 4.946 12.065 ( 5.208 3.115 -9.608) 11.364 12.231 ( 8.260 -1.658 -13.403) 15.831 ======================= Grid point 80 (44/87) ======================= q-point: ( 0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -2.099 -1.359 4.106) 4.808 1.205 ( 3.758 -0.186 7.972) 8.816 1.213 ( -0.850 1.457 1.925) 2.560 1.320 ( -3.941 3.795 0.626) 5.507 1.347 ( -1.874 0.823 0.214) 2.058 1.555 ( 0.168 -4.031 -4.452) 6.008 1.607 ( 2.728 1.084 3.902) 4.883 1.672 ( -3.032 0.911 1.160) 3.372 1.893 ( 2.963 -2.574 -1.088) 4.073 2.001 ( -0.060 4.864 -2.093) 5.295 2.098 ( 2.020 -0.844 -3.360) 4.010 2.238 ( 0.512 9.966 -3.199) 10.479 2.390 ( 2.164 0.492 0.452) 2.265 2.498 ( -2.763 -1.227 1.773) 3.505 2.569 ( -1.784 0.404 3.721) 4.146 2.618 ( -2.760 0.146 16.257) 16.490 2.750 ( -3.765 1.308 5.219) 6.567 2.911 ( -3.549 -1.411 19.028) 19.408 3.225 ( 2.077 13.082 -1.314) 13.311 3.295 ( -1.248 5.014 0.514) 5.193 3.607 ( -2.074 -1.905 5.830) 6.475 3.644 ( -1.042 -1.645 2.721) 3.346 3.764 ( -0.155 1.711 -2.418) 2.967 3.830 ( 1.467 -1.451 -2.994) 3.636 3.975 ( -1.965 0.857 -0.773) 2.279 4.060 ( 0.547 0.916 -5.007) 5.119 4.177 ( 1.437 0.814 -1.970) 2.571 4.386 ( 0.918 -2.423 -4.955) 5.591 4.709 ( -1.599 3.376 4.036) 5.500 4.868 ( -2.701 -0.408 10.861) 11.200 5.005 ( -2.530 2.883 2.337) 4.491 5.101 ( 3.217 -1.294 -4.269) 5.499 5.347 ( 1.969 6.779 1.261) 7.170 5.618 ( 1.207 3.594 -0.918) 3.901 5.659 ( -2.379 -0.039 0.446) 2.421 5.982 ( 0.217 1.507 3.746) 4.044 6.204 ( -0.256 -3.594 -0.765) 3.683 6.356 ( 0.868 -7.760 -1.279) 7.912 6.488 ( 0.388 -0.475 -7.115) 7.141 6.642 ( 2.009 -3.632 -3.621) 5.507 7.132 ( 0.253 1.015 -0.553) 1.183 7.194 ( -0.902 0.468 -1.310) 1.658 7.357 ( -2.278 -1.569 0.025) 2.766 7.515 ( -1.537 -4.985 -3.899) 6.512 9.825 ( 0.470 0.287 -5.382) 5.410 9.860 ( 1.293 -0.573 -5.423) 5.605 9.897 ( -1.842 0.473 1.602) 2.487 9.918 ( -0.995 -0.116 -1.208) 1.569 10.379 ( -0.439 0.530 4.640) 4.691 10.411 ( -2.025 -0.378 9.274) 9.500 10.735 ( -1.754 0.318 5.509) 5.791 10.757 ( -2.550 -0.172 7.728) 8.140 11.187 ( -0.016 0.624 2.044) 2.137 11.231 ( -1.677 -0.214 2.646) 3.140 11.262 ( -0.985 1.907 4.136) 4.660 11.419 ( 0.213 -1.517 -1.994) 2.515 11.580 ( 1.111 0.244 -2.606) 2.843 11.706 ( 0.662 -3.617 -2.920) 4.696 12.096 ( 3.184 3.659 -10.109) 11.212 12.294 ( 5.684 -1.917 -14.429) 15.626 ======================= Grid point 81 (45/87) ======================= q-point: (-0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -5.692 -0.562 3.274) 6.590 1.127 ( -7.821 2.088 1.790) 8.290 1.229 ( -3.520 1.419 3.156) 4.936 1.296 ( -1.958 1.823 -1.519) 3.077 1.342 ( 1.870 -1.842 7.086) 7.557 1.538 ( 0.945 -1.453 -3.375) 3.794 1.627 ( -1.618 0.411 1.357) 2.151 1.694 ( 2.952 0.696 2.196) 3.745 1.964 ( 3.907 -2.894 0.521) 4.890 1.992 ( 0.858 6.846 -3.218) 7.613 2.122 ( 0.927 -2.306 -1.683) 3.002 2.238 ( 0.804 8.650 -2.014) 8.918 2.391 ( -0.444 -0.325 -3.594) 3.636 2.442 ( -2.080 -1.487 -2.098) 3.307 2.544 ( -1.647 2.497 0.841) 3.107 2.679 ( -0.928 -0.454 11.753) 11.798 2.703 ( -5.557 2.468 18.982) 19.933 2.940 ( -4.202 0.536 18.042) 18.532 3.244 ( -3.472 3.782 -1.230) 5.279 3.309 ( 5.651 12.442 1.061) 13.707 3.604 ( -0.821 -1.831 5.592) 5.941 3.632 ( -2.470 -0.648 3.762) 4.547 3.740 ( -0.367 1.358 -3.017) 3.329 3.850 ( 1.602 0.097 -2.380) 2.870 3.936 ( -0.174 -0.740 -1.744) 1.902 4.041 ( 0.012 0.034 -4.867) 4.867 4.181 ( 0.363 1.276 -2.619) 2.936 4.374 ( 0.829 -2.410 -4.762) 5.401 4.702 ( -1.190 3.280 4.157) 5.428 4.898 ( -0.350 -1.113 9.497) 9.569 4.985 ( -0.363 3.761 2.131) 4.338 5.135 ( 2.117 -0.610 -4.320) 4.850 5.397 ( 1.768 3.396 2.590) 4.623 5.601 ( -1.695 0.609 -0.243) 1.817 5.677 ( 3.725 4.946 -2.115) 6.543 6.042 ( 2.859 -0.728 7.294) 7.868 6.213 ( 1.851 -4.020 -1.784) 4.772 6.365 ( 1.170 -6.986 -2.030) 7.369 6.466 ( 1.431 0.274 -5.793) 5.973 6.636 ( 0.164 -3.947 -5.827) 7.040 7.154 ( 1.252 0.968 -0.314) 1.613 7.170 ( -0.393 1.063 -1.589) 1.952 7.319 ( -1.299 -1.325 0.726) 1.992 7.448 ( -3.080 -4.593 -4.355) 7.039 9.809 ( 0.998 0.465 -5.646) 5.753 9.853 ( -1.652 0.839 0.837) 2.033 9.862 ( 1.703 -0.647 -5.054) 5.373 9.936 ( 1.669 -0.879 0.114) 1.889 10.388 ( -0.845 0.546 3.524) 3.665 10.434 ( -1.052 -0.918 10.445) 10.538 10.725 ( -2.028 0.797 5.560) 5.971 10.757 ( -1.748 -0.166 7.787) 7.983 11.187 ( -1.223 0.659 3.349) 3.625 11.222 ( -0.452 -0.153 2.407) 2.454 11.282 ( 0.699 1.884 2.771) 3.423 11.432 ( 1.933 -1.243 -1.864) 2.959 11.586 ( 0.852 0.375 -2.153) 2.345 11.711 ( 1.268 -3.580 -2.715) 4.669 12.083 ( 1.018 3.774 -10.373) 11.086 12.300 ( 2.794 -2.315 -15.464) 15.884 ======================= Grid point 82 (46/87) ======================= q-point: (-0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -7.497 0.992 6.290) 9.836 0.961 ( -9.591 5.800 8.659) 14.164 1.214 ( -0.412 -2.145 2.133) 3.053 1.258 ( -0.161 2.694 -0.484) 2.742 1.376 ( -1.806 -2.603 7.432) 8.079 1.548 ( 0.058 1.556 -1.524) 2.179 1.599 ( -2.138 -4.382 1.062) 4.989 1.758 ( 2.571 3.177 1.301) 4.289 1.996 ( 1.576 7.161 -3.959) 8.333 2.025 ( 0.822 -1.273 1.924) 2.449 2.101 ( -1.398 1.217 -1.469) 2.365 2.245 ( 0.573 9.202 -1.353) 9.318 2.370 ( 0.952 -0.525 -5.685) 5.788 2.413 ( 0.639 -2.024 -1.074) 2.379 2.532 ( -0.172 0.767 2.415) 2.540 2.635 ( -6.453 2.311 10.593) 12.617 2.772 ( -3.928 -2.446 27.640) 28.025 2.945 ( -2.661 1.505 10.485) 10.921 3.150 ( -4.540 3.245 -3.325) 6.496 3.419 ( 4.063 11.897 1.150) 12.624 3.577 ( -3.724 2.970 3.311) 5.801 3.653 ( 2.145 -5.078 4.748) 7.275 3.724 ( 0.351 1.545 -2.465) 2.931 3.866 ( 0.953 -0.142 -1.206) 1.543 3.969 ( 2.950 -1.968 -3.078) 4.696 4.000 ( -0.582 -1.549 -2.997) 3.423 4.166 ( 0.057 2.455 -3.822) 4.543 4.383 ( 2.789 -2.693 -4.996) 6.324 4.711 ( -0.472 3.233 5.385) 6.298 4.933 ( -0.321 -0.864 6.077) 6.147 5.011 ( 1.156 3.512 2.013) 4.209 5.133 ( 0.156 1.256 -4.181) 4.368 5.437 ( 0.980 0.209 1.386) 1.710 5.585 ( 0.334 0.403 -0.161) 0.548 5.741 ( 3.706 7.856 -2.780) 9.120 6.142 ( 1.927 -4.893 5.412) 7.546 6.260 ( 3.970 -2.209 -1.866) 4.911 6.382 ( 2.100 -7.450 -4.029) 8.726 6.499 ( 4.089 0.830 -2.445) 4.836 6.606 ( 0.678 -2.544 -6.251) 6.783 7.131 ( -0.735 0.305 -1.381) 1.594 7.195 ( 1.091 0.050 -0.798) 1.352 7.308 ( -0.988 -1.596 0.767) 2.028 7.363 ( -2.442 -2.200 -1.301) 3.535 9.808 ( 1.884 0.501 -5.381) 5.723 9.850 ( 0.705 0.754 1.058) 1.478 9.873 ( 1.842 -0.428 -4.100) 4.515 9.978 ( 2.597 -1.678 -0.366) 3.113 10.381 ( -1.664 0.499 3.020) 3.484 10.482 ( -0.069 -3.735 11.282) 11.885 10.723 ( -1.442 1.384 6.922) 7.205 10.766 ( -1.491 -0.195 7.655) 7.802 11.190 ( 0.030 1.624 3.213) 3.600 11.238 ( 0.627 0.379 2.489) 2.595 11.310 ( 1.080 2.920 1.332) 3.386 11.471 ( 3.099 -0.836 -2.468) 4.049 11.591 ( 0.574 0.605 -1.472) 1.692 11.726 ( 1.788 -3.513 -2.767) 4.816 12.029 ( -0.733 3.318 -10.313) 10.858 12.224 ( -2.289 -2.328 -16.435) 16.756 ======================= Grid point 83 (47/87) ======================= q-point: (-0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -4.668 2.043 11.510) 12.587 0.898 ( -3.665 7.404 17.822) 19.644 1.220 ( 0.597 -3.781 0.138) 3.831 1.293 ( 2.831 2.473 0.724) 3.828 1.364 ( -5.721 -1.266 12.879) 14.149 1.497 ( -1.647 2.787 -5.383) 6.281 1.557 ( -2.785 -4.545 1.814) 5.630 1.807 ( 1.460 3.929 1.618) 4.493 1.974 ( -1.193 7.589 -5.051) 9.194 2.034 ( -0.559 -2.708 2.026) 3.428 2.111 ( 2.853 3.784 -0.387) 4.755 2.251 ( 0.798 9.841 -0.299) 9.878 2.348 ( -0.785 1.004 -4.321) 4.505 2.458 ( 3.572 -1.285 0.137) 3.799 2.547 ( -4.759 0.966 10.587) 11.647 2.569 ( -2.030 0.429 7.072) 7.371 2.811 ( -7.222 -4.003 26.595) 27.847 2.941 ( -1.462 -1.176 0.387) 1.916 3.057 ( -2.420 6.427 0.379) 6.878 3.474 ( 1.248 10.882 -0.236) 10.956 3.538 ( -1.898 3.052 3.690) 5.151 3.707 ( 2.536 -0.839 -3.800) 4.644 3.750 ( 1.368 -4.845 5.807) 7.686 3.866 ( -0.670 -1.964 -1.302) 2.450 3.928 ( -1.010 -0.800 -3.715) 3.933 4.051 ( 2.768 -3.436 -2.891) 5.275 4.159 ( 1.564 4.237 -3.943) 5.995 4.413 ( 2.750 -3.061 -6.348) 7.565 4.735 ( -0.474 3.013 6.198) 6.908 4.956 ( -0.606 -0.673 5.866) 5.936 5.032 ( 1.582 3.154 -3.492) 4.964 5.111 ( -0.778 3.792 -0.783) 3.949 5.447 ( -0.029 -1.338 -1.606) 2.090 5.611 ( 1.784 -0.587 1.252) 2.258 5.789 ( 2.503 10.365 -3.195) 11.131 6.153 ( -2.091 -5.206 0.344) 5.621 6.298 ( 0.163 -0.017 -2.345) 2.351 6.389 ( 0.851 -9.359 -7.278) 11.886 6.554 ( 0.924 0.197 -3.027) 3.172 6.596 ( 0.824 -1.024 -6.550) 6.680 7.149 ( 3.104 -0.922 1.612) 3.618 7.220 ( 3.568 -2.575 2.971) 5.310 7.297 ( -0.248 -0.675 0.441) 0.843 7.355 ( 0.594 -0.316 1.680) 1.810 9.824 ( 2.469 0.485 -5.091) 5.678 9.877 ( 1.367 0.084 -0.771) 1.571 9.887 ( 1.105 0.479 -1.761) 2.134 10.035 ( 3.702 -2.546 -2.269) 5.034 10.358 ( -2.240 0.417 3.320) 4.026 10.535 ( -1.197 -8.996 10.548) 13.915 10.733 ( -2.114 0.449 8.573) 8.842 10.784 ( -0.952 -0.431 7.538) 7.610 11.224 ( 1.406 1.751 2.175) 3.126 11.273 ( 1.707 0.582 1.313) 2.231 11.346 ( 2.199 6.679 -0.445) 7.046 11.519 ( 2.791 -0.547 -3.113) 4.217 11.595 ( 0.754 1.733 -1.205) 2.242 11.752 ( 2.352 -2.560 -3.223) 4.740 11.946 ( -2.163 2.237 -10.048) 10.519 12.041 ( -6.249 -0.795 -12.525) 14.020 ======================= Grid point 84 (48/87) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.622 11.669 8.944) 14.716 1.067 ( -1.749 -5.048 6.456) 8.380 1.132 ( -0.406 3.537 12.657) 13.148 1.300 ( -1.412 -8.460 9.828) 13.044 1.338 ( -1.888 2.690 3.733) 4.974 1.399 ( 0.463 -3.453 2.192) 4.115 1.659 ( 0.559 11.468 -4.168) 12.215 1.850 ( -0.146 -4.978 0.551) 5.010 1.969 ( -0.520 0.058 -2.424) 2.480 1.992 ( -2.401 -0.229 -0.947) 2.591 2.211 ( 1.229 1.862 -0.115) 2.234 2.245 ( -0.483 -1.757 0.214) 1.835 2.488 ( -0.600 5.324 1.761) 5.639 2.552 ( -4.715 2.841 11.859) 13.075 2.569 ( 0.115 -2.006 4.225) 4.678 2.600 ( -1.877 2.850 5.775) 6.708 2.733 ( -2.100 2.899 10.650) 11.235 2.855 ( -0.364 -5.020 2.913) 5.816 3.270 ( 0.395 11.421 5.110) 12.519 3.486 ( -1.250 -8.216 2.631) 8.717 3.606 ( -1.331 3.689 -0.147) 3.925 3.681 ( -0.217 -2.267 1.486) 2.720 3.775 ( 0.522 2.933 -4.196) 5.146 3.814 ( -0.252 -0.695 -2.494) 2.601 3.907 ( 2.258 1.287 -0.309) 2.617 3.982 ( 1.850 -4.683 -3.227) 5.980 4.272 ( 1.770 4.584 -5.407) 7.306 4.352 ( 1.909 -3.536 -7.030) 8.097 4.827 ( -2.610 4.635 9.427) 10.825 4.918 ( -2.978 -3.906 10.051) 11.187 5.106 ( 1.609 3.336 -6.312) 7.319 5.156 ( -0.164 -0.251 -1.248) 1.283 5.468 ( 0.178 6.555 -4.082) 7.724 5.603 ( 1.486 -5.053 -0.004) 5.267 6.008 ( -3.553 6.838 -6.342) 9.980 6.090 ( 0.184 7.926 2.679) 8.368 6.143 ( -1.122 -9.203 -4.731) 10.409 6.254 ( 0.144 -4.748 -1.592) 5.010 6.520 ( -0.446 -0.257 -4.408) 4.438 6.533 ( -0.785 -1.602 -5.350) 5.639 7.234 ( 4.474 -0.434 3.111) 5.467 7.243 ( 1.472 -1.337 1.834) 2.705 7.300 ( -0.145 0.575 -0.374) 0.701 7.340 ( 1.961 -3.822 0.132) 4.297 9.856 ( 1.811 0.735 -4.778) 5.162 9.872 ( 1.422 -0.781 -4.542) 4.824 9.944 ( 0.346 2.886 1.444) 3.246 10.012 ( 1.076 -3.723 -0.030) 3.876 10.351 ( -2.025 1.249 5.194) 5.713 10.395 ( -2.841 -3.715 7.587) 8.912 10.744 ( -2.473 0.947 8.487) 8.890 10.766 ( -2.436 -1.231 7.830) 8.292 11.267 ( -0.044 1.106 1.163) 1.606 11.288 ( 0.290 -0.916 0.603) 1.134 11.460 ( -1.243 3.763 -3.621) 5.368 11.512 ( -0.039 -1.794 -3.027) 3.519 11.660 ( -2.342 3.711 -3.279) 5.478 11.724 ( -1.110 -2.660 -3.595) 4.607 11.934 ( 5.631 1.060 -7.360) 9.327 11.952 ( 4.667 -0.718 -7.779) 9.100 ======================= Grid point 85 (49/87) ======================= q-point: ( 0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 1.638 9.214 8.534) 12.665 1.066 ( -2.827 0.296 10.670) 11.042 1.181 ( -0.470 0.074 10.404) 10.415 1.307 ( -3.581 -8.075 13.138) 15.831 1.346 ( 1.642 2.571 -0.292) 3.064 1.430 ( 1.571 -5.473 -1.052) 5.791 1.656 ( 1.436 11.028 -5.512) 12.413 1.834 ( -1.398 -3.668 -0.581) 3.968 1.932 ( -2.675 1.498 -0.864) 3.186 1.952 ( 0.216 -2.966 -2.641) 3.977 2.230 ( 0.316 2.745 -1.123) 2.982 2.250 ( 0.609 0.146 1.569) 1.689 2.455 ( -1.852 6.846 1.123) 7.181 2.528 ( -3.660 0.618 8.287) 9.080 2.578 ( -1.339 -1.688 4.279) 4.790 2.596 ( -2.526 -1.062 9.827) 10.202 2.762 ( -1.003 4.467 9.198) 10.274 2.868 ( -1.516 -3.964 7.294) 8.439 3.327 ( 2.720 8.511 3.276) 9.517 3.482 ( -0.249 -5.727 1.242) 5.866 3.576 ( -1.151 5.952 -0.859) 6.123 3.667 ( -1.498 -1.772 1.074) 2.557 3.768 ( 0.774 0.430 -3.318) 3.434 3.808 ( 0.361 -2.072 -2.891) 3.575 3.959 ( 2.925 1.687 -0.721) 3.453 4.006 ( 2.232 -2.458 -2.187) 3.976 4.262 ( 0.106 4.664 -4.643) 6.582 4.342 ( 0.887 -3.373 -6.281) 7.184 4.816 ( -3.489 4.212 9.282) 10.774 4.898 ( -4.420 -3.580 10.241) 11.715 5.096 ( 0.763 2.732 -5.630) 6.304 5.135 ( -1.154 0.147 -1.575) 1.958 5.458 ( 1.153 8.682 -3.716) 9.514 5.630 ( 1.053 -6.513 -0.012) 6.597 5.891 ( -4.587 10.514 -3.120) 11.888 6.088 ( -1.645 4.364 0.139) 4.666 6.095 ( -1.636 -8.146 -1.135) 8.385 6.236 ( -1.341 -5.276 0.262) 5.450 6.506 ( 1.221 -0.904 -6.045) 6.233 6.517 ( 1.765 -1.381 -2.714) 3.520 7.218 ( -2.400 0.940 -0.583) 2.643 7.253 ( -2.159 -1.892 -0.219) 2.879 7.341 ( 2.761 1.159 1.325) 3.275 7.409 ( 2.933 -5.687 -0.308) 6.406 9.858 ( 0.999 0.499 -4.712) 4.843 9.869 ( 0.861 -0.542 -4.759) 4.866 9.947 ( -0.659 2.814 0.692) 2.972 10.008 ( -1.341 -3.139 -0.266) 3.424 10.352 ( -0.992 1.201 6.079) 6.275 10.387 ( -1.993 -2.595 7.266) 7.969 10.742 ( -2.213 0.722 8.268) 8.589 10.760 ( -2.277 -0.952 7.441) 7.840 11.257 ( -1.451 1.554 0.747) 2.253 11.280 ( -1.489 -0.678 1.123) 1.985 11.387 ( -3.538 4.994 -1.729) 6.359 11.466 ( -2.732 -2.831 -2.861) 4.865 11.599 ( -1.149 2.611 -1.569) 3.256 11.665 ( -1.674 -3.787 -2.364) 4.768 12.038 ( 7.903 1.935 -9.082) 12.194 12.075 ( 9.644 -1.673 -9.856) 13.890 ======================= Grid point 86 (50/87) ======================= q-point: ( 0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -0.647 7.288 6.016) 9.473 1.091 ( 0.471 -0.881 7.782) 7.846 1.226 ( -0.845 0.723 10.398) 10.458 1.310 ( -2.746 -5.464 11.580) 13.096 1.379 ( 1.371 0.771 -2.234) 2.732 1.449 ( 1.523 -6.240 0.065) 6.423 1.647 ( 1.124 9.825 -7.478) 12.398 1.800 ( -0.912 -2.530 -2.393) 3.600 1.878 ( -1.765 2.725 -2.784) 4.277 1.955 ( 1.074 -4.526 -1.786) 4.983 2.201 ( -1.256 5.843 -2.997) 6.686 2.283 ( 0.965 -1.912 2.006) 2.934 2.446 ( 0.052 5.074 0.864) 5.147 2.501 ( -1.955 -1.673 2.869) 3.854 2.574 ( -2.333 0.871 9.789) 10.101 2.607 ( -2.014 -0.796 10.533) 10.753 2.782 ( -2.257 3.533 11.018) 11.789 2.868 ( -2.554 -3.311 8.216) 9.219 3.381 ( 0.969 6.197 1.343) 6.415 3.502 ( 1.049 -3.731 2.909) 4.846 3.541 ( -1.490 8.980 -2.157) 9.355 3.660 ( 0.433 0.002 0.613) 0.751 3.765 ( 0.412 -1.322 -3.168) 3.457 3.789 ( -0.204 -2.361 -2.547) 3.479 4.003 ( 1.103 0.788 -0.072) 1.357 4.036 ( 1.890 -1.945 -2.775) 3.880 4.241 ( 0.111 4.867 -2.741) 5.587 4.329 ( 0.817 -3.748 -4.480) 5.898 4.795 ( -3.371 3.710 8.979) 10.283 4.862 ( -4.515 -2.682 10.451) 11.696 5.085 ( 1.137 1.745 -5.387) 5.775 5.100 ( -1.259 1.143 -1.283) 2.130 5.471 ( 1.764 8.935 -3.281) 9.680 5.639 ( -0.012 -6.014 -0.758) 6.062 5.809 ( -2.384 12.119 -1.191) 12.408 6.040 ( -1.405 -5.779 -3.322) 6.812 6.066 ( -2.281 -0.567 3.330) 4.076 6.211 ( -1.657 -7.569 1.994) 8.001 6.504 ( 1.639 0.822 -6.472) 6.727 6.545 ( 2.043 -2.637 -2.410) 4.115 7.173 ( -1.362 1.542 -0.867) 2.233 7.211 ( -1.454 -1.698 -0.666) 2.333 7.370 ( -0.113 0.913 -0.161) 0.934 7.434 ( 0.118 -5.209 -1.450) 5.409 9.848 ( 0.630 0.397 -4.774) 4.831 9.858 ( 0.760 -0.525 -5.099) 5.182 9.929 ( -1.218 1.760 0.311) 2.163 9.964 ( -2.680 -1.606 -0.143) 3.128 10.371 ( -0.551 0.889 6.261) 6.348 10.392 ( -1.484 -1.208 6.957) 7.215 10.743 ( -1.970 0.518 7.459) 7.732 10.756 ( -2.108 -0.688 7.107) 7.445 11.225 ( -1.873 1.860 0.993) 2.820 11.250 ( -2.130 -0.653 1.918) 2.940 11.329 ( -1.953 3.536 0.691) 4.098 11.400 ( -2.079 -3.163 -1.564) 4.095 11.588 ( 0.549 1.692 -1.602) 2.394 11.640 ( -0.014 -3.396 -1.762) 3.825 12.130 ( 6.390 3.130 -10.721) 12.868 12.187 ( 7.470 -2.609 -12.027) 14.397 ======================= Grid point 87 (51/87) ======================= q-point: ( 0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -2.619 6.740 4.450) 8.491 1.133 ( -0.499 -7.703 3.700) 8.560 1.252 ( -1.769 2.707 7.396) 8.072 1.302 ( -3.384 -2.673 7.797) 8.910 1.384 ( 0.586 3.361 -1.111) 3.588 1.492 ( 0.558 -6.765 3.591) 7.679 1.634 ( 2.532 7.972 -8.639) 12.025 1.778 ( 0.347 -1.561 -3.346) 3.709 1.840 ( 0.845 3.214 -4.896) 5.917 1.971 ( 1.491 -6.111 -1.576) 6.485 2.174 ( 0.070 7.210 -2.010) 7.486 2.298 ( -0.028 -3.697 1.055) 3.844 2.444 ( -0.827 2.421 -0.942) 2.726 2.471 ( -2.082 -0.923 -0.135) 2.281 2.599 ( -1.342 2.300 11.244) 11.555 2.625 ( -2.509 0.054 13.491) 13.722 2.797 ( -2.012 3.664 9.233) 10.135 2.873 ( -1.710 -2.910 11.840) 12.311 3.390 ( -0.795 5.267 1.435) 5.517 3.477 ( -2.507 0.660 0.775) 2.705 3.563 ( 2.537 7.243 -0.443) 7.687 3.676 ( 0.526 2.026 0.907) 2.281 3.745 ( -0.631 -2.299 -2.279) 3.298 3.790 ( 1.355 -4.344 -2.198) 5.053 3.995 ( -1.636 1.997 0.311) 2.600 4.043 ( 0.349 -2.243 -3.477) 4.152 4.237 ( 0.499 4.403 -1.861) 4.806 4.322 ( 0.544 -3.842 -3.583) 5.282 4.781 ( -2.665 3.580 8.371) 9.487 4.843 ( -2.941 -2.296 10.617) 11.253 5.066 ( -0.174 2.729 -2.587) 3.764 5.099 ( 1.932 -0.169 -3.637) 4.122 5.484 ( 1.131 7.773 -2.922) 8.381 5.622 ( -0.959 -4.196 -1.541) 4.572 5.790 ( 0.965 11.599 -0.118) 11.639 6.012 ( 0.397 -5.636 -2.072) 6.018 6.051 ( -0.690 -1.410 3.141) 3.512 6.196 ( -0.840 -9.051 2.205) 9.353 6.496 ( 1.064 2.041 -6.342) 6.747 6.560 ( 0.990 -3.985 -3.715) 5.538 7.161 ( 0.552 1.782 -0.489) 1.929 7.193 ( -0.088 -0.953 -0.582) 1.121 7.343 ( -1.912 0.981 -1.187) 2.455 7.406 ( -1.725 -4.998 -2.291) 5.762 9.834 ( 0.763 0.570 -5.339) 5.423 9.847 ( 1.076 -0.699 -5.380) 5.531 9.907 ( -1.799 0.450 0.864) 2.046 9.914 ( -1.396 -0.286 -0.109) 1.430 10.391 ( -0.703 0.615 5.534) 5.613 10.402 ( -1.310 -0.493 7.296) 7.429 10.743 ( -1.849 0.429 6.441) 6.715 10.751 ( -2.159 -0.360 7.257) 7.580 11.204 ( -0.947 0.967 1.730) 2.197 11.222 ( -1.536 -0.723 1.886) 2.537 11.314 ( -0.378 3.050 2.041) 3.689 11.375 ( 0.026 -2.834 -0.334) 2.853 11.594 ( 0.867 1.346 -1.809) 2.416 11.637 ( 0.584 -2.944 -1.723) 3.461 12.173 ( 4.007 3.763 -11.669) 12.899 12.243 ( 4.904 -3.113 -13.148) 14.373 ======================= Grid point 88 (52/87) ======================= q-point: (-0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -4.314 7.310 4.765) 9.734 1.101 ( -4.351 -8.672 5.201) 11.009 1.215 ( -4.145 3.696 3.095) 6.358 1.289 ( -1.768 -2.635 4.200) 5.264 1.371 ( -1.558 4.047 0.613) 4.379 1.489 ( -2.010 -7.066 2.184) 7.664 1.649 ( 2.546 7.825 -6.311) 10.370 1.781 ( 1.357 0.291 -1.509) 2.050 1.893 ( 6.114 -0.060 -3.921) 7.264 2.003 ( 2.660 -6.497 -2.047) 7.313 2.179 ( 1.189 8.452 -0.938) 8.587 2.309 ( 0.876 -2.941 0.947) 3.212 2.400 ( -2.087 0.809 -2.582) 3.417 2.417 ( -2.656 -0.749 -1.190) 3.005 2.612 ( -2.892 3.455 9.087) 10.142 2.658 ( -2.797 -1.428 16.912) 17.201 2.796 ( -3.118 6.484 9.437) 11.867 2.913 ( -1.433 -3.885 10.838) 11.602 3.351 ( -3.670 6.069 1.469) 7.243 3.457 ( -0.710 -2.898 2.872) 4.141 3.609 ( 2.204 7.015 -0.233) 7.357 3.686 ( 0.571 3.508 -0.987) 3.688 3.727 ( -0.444 -1.177 0.306) 1.294 3.814 ( 2.592 -4.808 -2.562) 6.033 3.957 ( -2.092 2.922 0.303) 3.606 4.014 ( -1.350 -2.390 -3.292) 4.286 4.237 ( 0.741 3.785 -2.718) 4.718 4.313 ( 0.703 -3.542 -3.940) 5.345 4.780 ( -1.879 4.217 8.206) 9.416 4.857 ( -1.388 -3.149 10.011) 10.586 5.065 ( 1.317 3.788 -2.275) 4.611 5.122 ( 2.163 -1.512 -3.555) 4.428 5.486 ( 0.697 6.105 -2.444) 6.613 5.593 ( -0.859 -2.785 -1.821) 3.437 5.844 ( 4.314 10.649 -0.078) 11.490 6.039 ( 2.335 -3.822 1.427) 4.701 6.074 ( 1.881 -3.027 0.529) 3.603 6.203 ( 0.501 -9.054 1.262) 9.155 6.488 ( 1.706 2.068 -5.588) 6.198 6.549 ( 0.700 -4.038 -5.399) 6.778 7.181 ( 0.820 1.347 -0.352) 1.616 7.189 ( -0.071 0.596 -1.098) 1.251 7.300 ( -1.339 0.128 -0.477) 1.427 7.348 ( -2.535 -4.459 -2.356) 5.644 9.823 ( 1.148 0.888 -5.575) 5.761 9.843 ( 1.337 -1.014 -5.454) 5.707 9.879 ( -0.743 1.533 1.092) 2.024 9.911 ( 0.436 -1.549 0.724) 1.765 10.401 ( -1.125 0.708 4.821) 5.001 10.416 ( -1.346 -0.808 7.347) 7.513 10.740 ( -1.826 0.693 6.654) 6.935 10.751 ( -1.799 -0.412 7.397) 7.624 11.202 ( -0.318 0.754 2.005) 2.165 11.215 ( -0.052 -0.549 1.689) 1.776 11.334 ( 1.245 3.072 2.013) 3.878 11.393 ( 1.834 -2.595 -0.168) 3.182 11.602 ( 0.847 1.328 -1.590) 2.237 11.643 ( 0.913 -2.824 -1.566) 3.355 12.163 ( 1.362 4.023 -12.028) 12.756 12.240 ( 1.961 -3.560 -13.771) 14.358 ======================= Grid point 89 (53/87) ======================= q-point: (-0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -4.758 9.700 6.153) 12.433 1.052 ( -3.259 -5.751 7.105) 9.704 1.140 ( -4.836 4.391 4.057) 7.690 1.265 ( -1.926 -3.192 2.773) 4.646 1.359 ( -0.741 1.199 3.569) 3.838 1.446 ( -3.029 -7.498 1.638) 8.251 1.671 ( 2.185 8.671 -3.631) 9.652 1.809 ( 1.457 -1.682 0.409) 2.263 1.974 ( 3.031 -0.106 -3.266) 4.457 2.040 ( 1.641 -4.120 -1.850) 4.805 2.198 ( 0.571 8.627 -1.256) 8.736 2.306 ( -2.100 -1.843 -0.097) 2.796 2.384 ( 0.981 -0.382 -0.711) 1.271 2.405 ( 4.834 -1.382 -2.060) 5.434 2.592 ( -4.765 5.574 12.871) 14.813 2.678 ( -3.767 -2.049 13.039) 13.726 2.768 ( -5.513 6.423 12.971) 15.489 2.912 ( -2.327 -5.149 2.964) 6.380 3.284 ( -3.738 9.124 3.245) 10.380 3.471 ( -0.068 -8.284 5.231) 9.798 3.624 ( -1.413 4.493 3.320) 5.762 3.689 ( 0.990 1.650 -5.062) 5.416 3.747 ( 1.898 4.892 1.319) 5.410 3.868 ( 3.375 -2.832 -3.498) 5.625 3.918 ( -1.219 -0.178 0.071) 1.234 3.958 ( -2.490 -2.404 -2.923) 4.530 4.236 ( 1.226 4.118 -4.115) 5.949 4.317 ( 2.160 -3.781 -4.969) 6.607 4.795 ( -1.226 4.841 8.744) 10.070 4.887 ( -1.027 -3.787 9.305) 10.099 5.086 ( 1.992 3.686 -3.335) 5.355 5.142 ( 1.640 -1.278 -3.009) 3.657 5.487 ( 0.635 4.874 -2.503) 5.516 5.574 ( 0.020 -2.413 -1.577) 2.883 5.943 ( 5.541 10.955 -1.744) 12.400 6.089 ( 0.194 0.964 4.403) 4.511 6.139 ( 5.535 -8.408 -4.416) 10.992 6.220 ( 0.730 -8.435 -0.484) 8.480 6.517 ( 3.606 1.027 -3.423) 5.077 6.549 ( 2.564 -2.457 -5.525) 6.568 7.147 ( -1.921 1.319 -1.566) 2.807 7.180 ( -1.770 -1.635 -1.302) 2.739 7.290 ( 0.314 0.358 0.295) 0.560 7.317 ( 0.388 -2.079 0.525) 2.179 9.823 ( 1.800 0.990 -5.051) 5.452 9.845 ( 1.645 -1.043 -4.244) 4.670 9.890 ( 1.058 1.938 0.924) 2.394 9.935 ( 1.505 -2.365 0.759) 2.905 10.395 ( -1.954 0.987 4.317) 4.840 10.424 ( -1.908 -2.026 7.193) 7.713 10.744 ( -1.763 0.820 7.635) 7.879 10.758 ( -1.611 -0.588 7.693) 7.881 11.217 ( 0.864 1.117 1.713) 2.220 11.235 ( 1.048 -0.610 1.363) 1.825 11.384 ( 3.090 3.689 0.744) 4.869 11.443 ( 3.392 -2.129 -1.191) 4.178 11.612 ( 1.031 1.637 -1.080) 2.216 11.659 ( 1.572 -2.971 -1.348) 3.622 12.098 ( -1.456 3.466 -11.678) 12.268 12.166 ( -2.094 -3.274 -13.729) 14.269 ======================= Grid point 90 (54/87) ======================= q-point: (-0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -2.368 12.195 7.161) 14.338 1.062 ( 0.076 -7.099 6.868) 9.878 1.086 ( -3.485 6.397 8.835) 11.451 1.265 ( -0.229 -5.790 5.710) 8.135 1.362 ( -1.911 0.597 5.060) 5.442 1.402 ( -2.220 -5.109 3.016) 6.334 1.678 ( 0.109 9.917 -3.106) 10.393 1.837 ( 0.872 -3.706 1.113) 3.967 1.986 ( 0.281 0.905 -2.553) 2.724 2.036 ( -1.078 -1.855 -1.589) 2.670 2.194 ( 0.475 4.719 -1.000) 4.847 2.267 ( -1.346 -2.792 -0.900) 3.228 2.443 ( 3.440 2.382 1.174) 4.346 2.505 ( 4.779 -2.104 -0.408) 5.238 2.575 ( -5.366 6.023 18.891) 20.541 2.637 ( -3.610 4.302 1.295) 5.763 2.739 ( -6.040 0.623 18.967) 19.915 2.870 ( -1.183 -6.026 -2.987) 6.829 3.254 ( -1.743 12.082 5.854) 13.538 3.494 ( -1.027 -9.697 4.965) 10.943 3.618 ( -0.911 2.248 3.634) 4.369 3.676 ( 0.391 0.476 -2.975) 3.038 3.781 ( 1.396 6.704 -3.000) 7.476 3.850 ( -1.759 0.488 -1.526) 2.380 3.898 ( -1.230 -1.504 -2.093) 2.856 3.953 ( 2.945 -6.112 -2.684) 7.296 4.252 ( 2.672 4.629 -4.874) 7.233 4.339 ( 2.851 -4.087 -6.251) 7.994 4.818 ( -1.595 4.884 9.294) 10.620 4.911 ( -1.717 -3.877 9.580) 10.476 5.101 ( 2.000 3.673 -5.555) 6.953 5.156 ( 0.913 -0.726 -1.659) 2.028 5.483 ( 0.468 4.973 -3.351) 6.015 5.579 ( 1.038 -3.226 -0.823) 3.487 6.027 ( 4.155 11.663 -4.173) 13.065 6.093 ( -1.377 0.760 1.624) 2.260 6.183 ( 0.819 -9.096 -6.459) 11.186 6.238 ( 1.936 -6.695 -0.960) 7.036 6.556 ( 0.924 0.086 -3.824) 3.935 6.567 ( 1.204 -1.235 -6.170) 6.407 7.139 ( 2.145 0.225 1.676) 2.732 7.165 ( 1.728 -2.323 2.365) 3.738 7.304 ( 0.321 1.028 -0.025) 1.077 7.332 ( 0.263 -1.622 0.518) 1.722 9.839 ( 2.288 0.958 -4.696) 5.311 9.860 ( 2.004 -1.097 -4.212) 4.792 9.921 ( 1.131 2.324 1.470) 2.974 9.975 ( 2.041 -3.069 0.567) 3.729 10.372 ( -2.531 1.186 4.356) 5.176 10.415 ( -2.886 -3.454 7.303) 8.579 10.747 ( -2.294 0.896 8.324) 8.680 10.767 ( -1.855 -1.063 7.957) 8.239 11.248 ( 1.116 1.007 1.472) 2.104 11.266 ( 1.325 -0.734 0.839) 1.731 11.454 ( 3.383 3.491 -2.234) 5.350 11.500 ( 2.787 -1.443 -2.666) 4.118 11.643 ( 3.009 2.835 -1.027) 4.261 11.699 ( 3.357 -2.692 -1.845) 4.682 11.987 ( -3.302 1.789 -10.272) 10.936 12.019 ( -4.800 -1.353 -11.168) 12.231 ======================= Grid point 105 (55/87) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 2.871 0.000 8.133) 8.625 1.153 ( -0.004 0.000 -2.582) 2.582 1.226 ( 2.696 0.000 -3.291) 4.254 1.248 ( -0.628 0.000 6.769) 6.798 1.332 ( -5.223 0.000 4.855) 7.131 1.577 ( 0.811 0.000 3.289) 3.387 1.727 ( 1.252 0.000 -3.318) 3.546 1.728 ( -2.265 0.000 11.874) 12.088 1.844 ( -0.021 0.000 -0.817) 0.817 2.031 ( -1.433 0.000 -3.596) 3.871 2.050 ( 2.302 0.000 -3.868) 4.501 2.128 ( -2.813 0.000 0.247) 2.823 2.289 ( -0.705 0.000 3.352) 3.425 2.585 ( 1.597 0.000 -0.810) 1.791 2.616 ( 0.669 0.000 1.378) 1.532 2.654 ( 0.099 0.000 -4.908) 4.909 2.964 ( 1.403 0.000 15.031) 15.096 3.147 ( -2.866 0.000 14.148) 14.436 3.290 ( -4.457 0.000 -4.447) 6.296 3.337 ( -7.527 0.000 22.295) 23.531 3.625 ( 2.318 0.000 -6.429) 6.834 3.692 ( -0.999 0.000 8.466) 8.524 3.800 ( 2.940 0.000 -4.561) 5.426 3.846 ( -1.797 0.000 -1.536) 2.364 3.979 ( -0.056 0.000 -4.106) 4.107 3.997 ( -1.467 0.000 3.114) 3.442 4.002 ( 2.965 0.000 -6.895) 7.505 4.268 ( 1.866 0.000 -11.668) 11.816 4.740 ( -0.713 0.000 0.511) 0.877 4.831 ( 4.169 0.000 -7.226) 8.342 5.163 ( -3.046 0.000 11.567) 11.961 5.219 ( -2.034 0.000 9.608) 9.821 5.379 ( -3.037 0.000 -0.774) 3.135 5.567 ( 1.280 0.000 -7.334) 7.445 5.839 ( 0.366 0.000 9.644) 9.651 6.109 ( 3.265 0.000 -7.552) 8.228 6.145 ( -8.067 0.000 0.878) 8.114 6.343 ( 3.045 0.000 -8.849) 9.359 6.426 ( 0.036 0.000 -0.415) 0.417 6.524 ( 0.257 0.000 -3.101) 3.112 7.273 ( 1.349 0.000 0.138) 1.356 7.283 ( -1.103 0.000 -0.400) 1.173 7.384 ( 0.776 0.000 3.785) 3.864 7.480 ( 4.517 0.000 -1.507) 4.762 9.776 ( 1.075 0.000 -1.284) 1.675 9.848 ( -0.610 0.000 -0.015) 0.610 9.854 ( 0.558 0.000 -3.325) 3.372 9.987 ( 2.666 0.000 -6.262) 6.806 10.490 ( -2.393 0.000 10.542) 10.811 10.792 ( 2.139 0.000 -1.059) 2.387 10.822 ( -7.096 0.000 3.248) 7.804 10.851 ( -1.200 0.000 2.272) 2.570 11.225 ( -2.738 0.000 5.145) 5.829 11.318 ( -0.609 0.000 3.013) 3.074 11.343 ( 0.280 0.000 3.503) 3.515 11.467 ( 0.782 0.000 -4.368) 4.438 11.558 ( -1.468 0.000 1.521) 2.114 11.712 ( 0.374 0.000 -3.172) 3.194 11.761 ( 4.025 0.000 -7.612) 8.611 11.807 ( 5.007 0.000 -7.796) 9.265 ======================= Grid point 106 (56/87) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.708 0.000 6.733) 6.770 1.114 ( -0.399 0.000 -6.662) 6.674 1.262 ( 0.458 0.000 -1.514) 1.582 1.265 ( 2.905 0.000 -3.568) 4.601 1.293 ( -3.625 0.000 13.660) 14.133 1.622 ( 0.933 0.000 5.359) 5.440 1.724 ( -0.063 0.000 -3.123) 3.124 1.740 ( -1.649 0.000 8.265) 8.427 1.820 ( -1.205 0.000 -3.436) 3.641 2.002 ( -0.310 0.000 1.268) 1.306 2.029 ( -2.909 0.000 -2.264) 3.687 2.079 ( -0.890 0.000 -3.368) 3.484 2.318 ( 1.571 0.000 5.217) 5.448 2.607 ( 1.184 0.000 -2.292) 2.580 2.629 ( -0.040 0.000 0.494) 0.496 2.642 ( 0.628 0.000 -4.092) 4.140 3.059 ( -2.887 0.000 20.856) 21.055 3.145 ( -6.196 0.000 -5.761) 8.461 3.206 ( 1.999 0.000 9.857) 10.057 3.321 ( -5.606 0.000 21.587) 22.303 3.590 ( -0.315 0.000 -8.128) 8.134 3.727 ( -0.062 0.000 7.521) 7.521 3.797 ( -1.549 0.000 -2.116) 2.623 3.880 ( 5.866 0.000 -4.490) 7.387 3.966 ( -2.996 0.000 4.057) 5.043 3.969 ( 0.216 0.000 -2.343) 2.353 4.032 ( 3.068 0.000 -4.962) 5.834 4.249 ( 2.670 0.000 -11.091) 11.408 4.718 ( -1.495 0.000 -0.111) 1.499 4.871 ( 3.850 0.000 -8.591) 9.414 5.148 ( -4.805 0.000 11.874) 12.809 5.230 ( -2.267 0.000 9.782) 10.041 5.317 ( -3.036 0.000 3.263) 4.457 5.535 ( -0.314 0.000 -6.905) 6.913 5.880 ( -1.893 0.000 9.984) 10.162 6.017 ( -4.813 0.000 -0.505) 4.839 6.131 ( 2.892 0.000 -7.695) 8.220 6.356 ( 2.249 0.000 -7.113) 7.460 6.440 ( 1.148 0.000 1.318) 1.748 6.535 ( 2.492 0.000 -2.850) 3.786 7.222 ( -4.135 0.000 -0.688) 4.192 7.250 ( -2.352 0.000 -0.324) 2.375 7.429 ( 0.953 0.000 1.517) 1.792 7.532 ( 2.153 0.000 -4.135) 4.662 9.787 ( 0.645 0.000 -1.231) 1.390 9.827 ( -1.253 0.000 -0.743) 1.457 9.846 ( 0.668 0.000 -3.622) 3.683 9.984 ( 0.165 0.000 -5.678) 5.681 10.501 ( -2.330 0.000 10.429) 10.686 10.694 ( -7.344 0.000 7.767) 10.690 10.799 ( -0.167 0.000 -3.402) 3.406 10.863 ( 0.119 0.000 4.801) 4.803 11.205 ( -1.826 0.000 4.896) 5.225 11.320 ( -0.964 0.000 3.336) 3.473 11.362 ( -0.689 0.000 4.954) 5.002 11.438 ( -0.995 0.000 -4.392) 4.504 11.542 ( -0.736 0.000 0.742) 1.045 11.699 ( 0.212 0.000 -3.446) 3.453 11.804 ( 4.859 0.000 -8.839) 10.087 11.901 ( 7.785 0.000 -10.585) 13.139 ======================= Grid point 107 (57/87) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -1.309 0.000 4.345) 4.537 1.091 ( 1.643 0.000 -6.253) 6.466 1.257 ( 0.847 0.000 -4.571) 4.649 1.294 ( 1.683 0.000 -3.686) 4.052 1.328 ( -0.702 0.000 14.242) 14.260 1.649 ( -1.882 0.000 5.273) 5.599 1.703 ( 0.262 0.000 -1.965) 1.982 1.749 ( -2.416 0.000 4.526) 5.130 1.796 ( 2.824 0.000 -3.425) 4.439 1.954 ( -3.120 0.000 0.771) 3.214 2.024 ( 1.239 0.000 2.193) 2.519 2.034 ( -0.994 0.000 -6.589) 6.663 2.387 ( 1.305 0.000 4.951) 5.120 2.584 ( -3.024 0.000 -0.314) 3.040 2.607 ( -2.229 0.000 -0.925) 2.414 2.628 ( 1.339 0.000 -8.502) 8.607 3.048 ( -0.247 0.000 -1.366) 1.388 3.086 ( -4.988 0.000 21.838) 22.400 3.286 ( 0.529 0.000 6.170) 6.192 3.341 ( -4.041 0.000 20.875) 21.262 3.566 ( 2.131 0.000 -6.660) 6.993 3.756 ( 0.479 0.000 2.876) 2.916 3.779 ( -1.328 0.000 4.035) 4.248 3.924 ( 1.046 0.000 -5.755) 5.849 3.932 ( -3.285 0.000 6.009) 6.848 3.949 ( -0.385 0.000 -4.646) 4.662 4.074 ( 3.316 0.000 -3.859) 5.088 4.257 ( 3.756 0.000 -10.716) 11.355 4.687 ( -1.300 0.000 -0.160) 1.310 4.886 ( 2.394 0.000 -9.118) 9.427 5.107 ( -5.339 0.000 11.896) 13.039 5.231 ( -2.729 0.000 9.522) 9.905 5.316 ( 0.526 0.000 5.805) 5.829 5.502 ( 0.911 0.000 -6.254) 6.320 5.848 ( -6.749 0.000 9.498) 11.652 5.969 ( 0.643 0.000 -0.415) 0.765 6.145 ( 2.906 0.000 -7.537) 8.078 6.340 ( -0.125 0.000 -7.247) 7.248 6.471 ( 0.568 0.000 1.667) 1.761 6.580 ( 3.106 0.000 -3.094) 4.384 7.141 ( -2.864 0.000 -0.808) 2.976 7.201 ( -2.031 0.000 -0.839) 2.198 7.423 ( -1.619 0.000 -0.286) 1.644 7.528 ( -0.112 0.000 -4.348) 4.350 9.788 ( -0.578 0.000 -0.460) 0.738 9.796 ( -0.433 0.000 -2.151) 2.194 9.845 ( 1.317 0.000 -4.088) 4.295 9.936 ( -1.989 0.000 -4.298) 4.736 10.502 ( -2.767 0.000 8.813) 9.237 10.636 ( -3.842 0.000 11.201) 11.841 10.773 ( -0.430 0.000 -3.009) 3.039 10.879 ( -1.074 0.000 4.025) 4.166 11.210 ( -0.113 0.000 4.125) 4.127 11.313 ( -1.557 0.000 3.191) 3.550 11.368 ( -1.837 0.000 6.235) 6.500 11.398 ( -0.555 0.000 -3.370) 3.416 11.540 ( 0.173 0.000 0.572) 0.598 11.687 ( 0.396 0.000 -2.865) 2.892 11.851 ( 4.433 0.000 -9.206) 10.218 11.978 ( 6.525 0.000 -13.929) 15.382 ======================= Grid point 108 (58/87) ======================= q-point: (-0.57 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -3.662 0.000 3.179) 4.849 1.104 ( 2.104 0.000 -3.617) 4.184 1.228 ( -2.295 0.000 -2.501) 3.394 1.287 ( -0.341 0.000 -3.706) 3.722 1.423 ( 3.706 0.000 10.198) 10.850 1.624 ( -1.712 0.000 2.497) 3.027 1.688 ( -4.877 0.000 2.144) 5.328 1.702 ( -0.344 0.000 0.245) 0.422 1.889 ( 6.565 0.000 -3.848) 7.610 1.933 ( -0.991 0.000 1.276) 1.616 1.998 ( 2.149 0.000 -4.327) 4.831 2.062 ( 1.719 0.000 -0.129) 1.724 2.391 ( -2.385 0.000 1.043) 2.602 2.506 ( -3.679 0.000 -0.819) 3.769 2.547 ( -2.671 0.000 -0.705) 2.762 2.603 ( 1.032 0.000 -7.893) 7.960 3.112 ( 4.809 0.000 3.183) 5.767 3.124 ( -2.990 0.000 23.042) 23.235 3.272 ( -3.580 0.000 2.284) 4.246 3.377 ( -4.523 0.000 20.385) 20.881 3.595 ( 3.264 0.000 -4.980) 5.954 3.760 ( -3.197 0.000 6.990) 7.686 3.793 ( 1.867 0.000 1.088) 2.161 3.888 ( -5.150 0.000 7.899) 9.430 3.894 ( -1.583 0.000 -5.318) 5.549 3.909 ( 1.664 0.000 -7.188) 7.378 4.101 ( 1.635 0.000 -5.555) 5.790 4.271 ( 3.023 0.000 -9.928) 10.378 4.675 ( 0.031 0.000 0.763) 0.763 4.872 ( 1.141 0.000 -8.439) 8.515 5.084 ( -3.192 0.000 11.990) 12.407 5.230 ( -2.323 0.000 8.901) 9.199 5.382 ( 2.557 0.000 4.208) 4.924 5.504 ( 2.509 0.000 -6.590) 7.051 5.756 ( -6.631 0.000 9.518) 11.600 6.024 ( 4.279 0.000 2.196) 4.810 6.174 ( 3.648 0.000 -5.837) 6.884 6.278 ( -1.057 0.000 -10.014) 10.070 6.471 ( -1.169 0.000 0.990) 1.532 6.602 ( 0.868 0.000 -4.520) 4.602 7.115 ( 0.481 0.000 -0.130) 0.499 7.162 ( -1.421 0.000 -1.009) 1.743 7.382 ( -1.869 0.000 0.241) 1.884 7.487 ( -1.663 0.000 -3.976) 4.310 9.757 ( -1.101 0.000 -1.354) 1.745 9.796 ( 0.701 0.000 -1.380) 1.548 9.844 ( 0.294 0.000 -4.984) 4.992 9.884 ( -0.183 0.000 -2.562) 2.569 10.495 ( -2.324 0.000 8.037) 8.366 10.643 ( -2.027 0.000 12.009) 12.179 10.753 ( -0.109 0.000 -2.663) 2.665 10.871 ( -1.351 0.000 3.128) 3.407 11.238 ( 0.696 0.000 3.071) 3.148 11.296 ( -1.552 0.000 2.789) 3.192 11.354 ( -2.796 0.000 6.020) 6.637 11.385 ( 0.623 0.000 -2.192) 2.279 11.553 ( 0.554 0.000 1.608) 1.701 11.687 ( 0.839 0.000 -1.767) 1.956 11.872 ( 2.628 0.000 -9.326) 9.689 12.012 ( 5.014 0.000 -16.080) 16.844 ======================= Grid point 109 (59/87) ======================= q-point: (-0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -5.594 0.000 3.517) 6.608 1.127 ( -0.202 0.000 1.360) 1.375 1.157 ( -2.308 0.000 -0.326) 2.331 1.248 ( -1.640 0.000 -2.325) 2.845 1.564 ( 4.457 0.000 8.451) 9.555 1.597 ( -4.536 0.000 1.257) 4.707 1.616 ( 0.065 0.000 -1.091) 1.093 1.705 ( 0.031 0.000 2.470) 2.470 1.910 ( 0.442 0.000 -3.486) 3.514 1.947 ( 1.137 0.000 -6.184) 6.288 2.070 ( 3.865 0.000 2.300) 4.497 2.076 ( 0.384 0.000 -3.294) 3.317 2.331 ( -2.637 0.000 -1.591) 3.079 2.468 ( -0.109 0.000 2.123) 2.126 2.513 ( -0.527 0.000 0.796) 0.955 2.608 ( 3.393 0.000 -5.528) 6.487 3.184 ( -5.444 0.000 1.986) 5.795 3.213 ( -1.122 0.000 20.772) 20.802 3.228 ( 4.327 0.000 3.797) 5.757 3.351 ( -8.690 0.000 18.641) 20.567 3.604 ( 0.407 0.000 -6.580) 6.592 3.745 ( -2.472 0.000 7.450) 7.849 3.812 ( -3.052 0.000 5.527) 6.314 3.845 ( -0.329 0.000 5.736) 5.745 3.872 ( 2.622 0.000 -4.896) 5.554 3.917 ( 2.336 0.000 -6.380) 6.794 4.079 ( -0.207 0.000 -6.944) 6.947 4.274 ( 2.612 0.000 -8.717) 9.100 4.695 ( 0.964 0.000 2.160) 2.365 4.845 ( 0.674 0.000 -8.285) 8.312 5.104 ( -1.263 0.000 10.976) 11.048 5.231 ( -2.531 0.000 8.723) 9.083 5.432 ( 1.240 0.000 -0.833) 1.494 5.522 ( 3.046 0.000 -7.743) 8.320 5.711 ( -3.711 0.000 12.383) 12.928 6.161 ( 7.921 0.000 2.443) 8.289 6.172 ( -1.656 0.000 -6.364) 6.576 6.259 ( 6.074 0.000 -11.722) 13.202 6.449 ( -1.367 0.000 1.294) 1.883 6.575 ( -0.440 0.000 -4.567) 4.588 7.129 ( -1.228 0.000 -0.962) 1.560 7.145 ( 2.021 0.000 0.037) 2.021 7.367 ( -0.406 0.000 2.273) 2.308 7.424 ( -2.629 0.000 -2.574) 3.679 9.738 ( -0.110 0.000 -1.113) 1.118 9.808 ( 1.213 0.000 -0.986) 1.564 9.819 ( 0.249 0.000 -2.938) 2.949 9.896 ( 2.359 0.000 -4.210) 4.826 10.494 ( -2.228 0.000 8.039) 8.342 10.685 ( 0.043 0.000 11.681) 11.681 10.739 ( 0.092 0.000 -2.263) 2.265 10.867 ( -0.586 0.000 2.504) 2.571 11.265 ( 0.613 0.000 2.223) 2.306 11.289 ( -0.665 0.000 3.148) 3.217 11.324 ( -3.255 0.000 5.555) 6.439 11.394 ( 1.455 0.000 -2.383) 2.792 11.574 ( 0.327 0.000 2.356) 2.379 11.699 ( 1.017 0.000 -1.187) 1.563 11.855 ( 0.687 0.000 -9.283) 9.308 12.000 ( 2.527 0.000 -17.036) 17.222 ======================= Grid point 110 (60/87) ======================= q-point: (-0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -3.790 0.000 4.813) 6.126 1.097 ( -2.721 0.000 9.083) 9.482 1.178 ( 2.316 0.000 -0.790) 2.447 1.208 ( -0.995 0.000 -1.596) 1.881 1.525 ( -3.628 0.000 1.861) 4.078 1.596 ( -0.986 0.000 -2.877) 3.041 1.663 ( 0.211 0.000 8.380) 8.382 1.717 ( -0.163 0.000 1.479) 1.488 1.893 ( -2.295 0.000 -3.657) 4.318 1.934 ( 3.752 0.000 -3.241) 4.958 2.063 ( 1.180 0.000 -5.396) 5.523 2.141 ( 1.402 0.000 3.493) 3.764 2.293 ( -0.314 0.000 -1.109) 1.153 2.503 ( 1.339 0.000 4.301) 4.505 2.535 ( 1.758 0.000 1.879) 2.573 2.660 ( 3.628 0.000 -4.212) 5.559 3.054 ( -6.977 0.000 -2.344) 7.361 3.240 ( -8.604 0.000 14.593) 16.940 3.315 ( 2.538 0.000 2.877) 3.837 3.318 ( -3.560 0.000 24.758) 25.013 3.569 ( 0.744 0.000 -7.146) 7.185 3.705 ( -5.326 0.000 11.034) 12.252 3.851 ( 2.462 0.000 4.768) 5.366 3.871 ( -0.139 0.000 -8.184) 8.185 3.878 ( 1.285 0.000 4.426) 4.609 3.959 ( 4.254 0.000 -3.925) 5.788 4.034 ( -0.036 0.000 -6.749) 6.749 4.285 ( 3.180 0.000 -9.297) 9.826 4.725 ( 0.631 0.000 2.234) 2.321 4.814 ( 0.848 0.000 -8.305) 8.348 5.137 ( -1.427 0.000 10.030) 10.131 5.221 ( -3.154 0.000 9.165) 9.692 5.435 ( 0.624 0.000 -3.097) 3.159 5.541 ( 3.264 0.000 -8.207) 8.833 5.729 ( -1.475 0.000 12.142) 12.232 6.110 ( 0.218 0.000 -8.869) 8.872 6.313 ( 4.955 0.000 -11.579) 12.595 6.319 ( 5.595 0.000 -1.073) 5.697 6.433 ( -0.985 0.000 1.461) 1.762 6.557 ( 0.449 0.000 -2.497) 2.537 7.122 ( 1.275 0.000 0.117) 1.280 7.186 ( 2.341 0.000 0.042) 2.341 7.377 ( -1.050 0.000 1.014) 1.460 7.378 ( -0.366 0.000 3.284) 3.305 9.741 ( 0.866 0.000 -0.849) 1.212 9.829 ( 1.874 0.000 -2.165) 2.863 9.831 ( 1.314 0.000 -0.396) 1.372 9.923 ( 2.908 0.000 -5.467) 6.192 10.491 ( -2.585 0.000 8.574) 8.955 10.736 ( 0.731 0.000 -1.593) 1.753 10.774 ( 2.981 0.000 9.778) 10.222 10.870 ( -0.458 0.000 1.999) 2.051 11.283 ( -0.616 0.000 0.546) 0.823 11.294 ( -1.983 0.000 7.008) 7.283 11.299 ( -0.177 0.000 3.184) 3.189 11.417 ( 2.395 0.000 -3.047) 3.875 11.586 ( -0.461 0.000 2.214) 2.261 11.711 ( 0.896 0.000 -1.506) 1.752 11.806 ( -0.539 0.000 -8.810) 8.827 11.924 ( -1.062 0.000 -15.693) 15.729 ======================= Grid point 111 (61/87) ======================= q-point: (-0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 0.691 0.000 6.607) 6.643 1.128 ( 0.540 0.000 7.368) 7.388 1.200 ( 1.229 0.000 -2.320) 2.625 1.218 ( 1.244 0.000 2.015) 2.368 1.438 ( -6.276 0.000 1.646) 6.488 1.566 ( -0.691 0.000 0.082) 0.696 1.695 ( -1.134 0.000 11.275) 11.332 1.720 ( 0.808 0.000 -2.101) 2.251 1.852 ( -0.975 0.000 -0.016) 0.975 2.001 ( 4.096 0.000 -2.983) 5.067 2.062 ( 0.927 0.000 -4.916) 5.002 2.161 ( -0.981 0.000 2.392) 2.585 2.291 ( -0.299 0.000 0.945) 0.991 2.552 ( 1.241 0.000 3.190) 3.423 2.584 ( 1.665 0.000 2.160) 2.728 2.684 ( 0.836 0.000 -5.141) 5.208 2.926 ( -4.102 0.000 3.472) 5.374 3.162 ( -6.446 0.000 14.744) 16.092 3.349 ( -0.261 0.000 -0.174) 0.314 3.356 ( -6.082 0.000 23.420) 24.196 3.580 ( 3.679 0.000 -5.270) 6.427 3.680 ( -2.925 0.000 10.118) 10.532 3.816 ( -0.553 0.000 -6.976) 6.998 3.872 ( -0.716 0.000 1.206) 1.402 3.966 ( 2.692 0.000 4.450) 5.201 3.984 ( 2.245 0.000 -8.095) 8.400 4.018 ( 0.271 0.000 -4.723) 4.731 4.288 ( 2.553 0.000 -11.331) 11.615 4.741 ( 0.080 0.000 1.269) 1.272 4.801 ( 2.391 0.000 -7.266) 7.649 5.154 ( -2.251 0.000 10.577) 10.814 5.212 ( -2.586 0.000 9.513) 9.859 5.424 ( -0.375 0.000 -3.041) 3.064 5.563 ( 3.028 0.000 -7.750) 8.321 5.777 ( 0.066 0.000 10.728) 10.728 6.092 ( 2.494 0.000 -8.410) 8.772 6.302 ( -6.131 0.000 -0.808) 6.184 6.333 ( 3.357 0.000 -10.615) 11.133 6.431 ( 0.442 0.000 -1.758) 1.813 6.546 ( -0.395 0.000 -2.803) 2.831 7.191 ( 4.775 0.000 1.284) 4.944 7.254 ( 3.863 0.000 -0.167) 3.867 7.379 ( -1.286 0.000 3.542) 3.769 7.399 ( 2.233 0.000 2.624) 3.446 9.759 ( 1.274 0.000 -1.017) 1.630 9.849 ( 0.484 0.000 0.074) 0.490 9.852 ( 1.388 0.000 -2.629) 2.973 9.955 ( 3.522 0.000 -6.225) 7.152 10.487 ( -2.681 0.000 9.598) 9.965 10.754 ( 1.757 0.000 -0.667) 1.879 10.866 ( -0.957 0.000 1.452) 1.739 10.870 ( 1.061 0.000 4.409) 4.535 11.254 ( -2.802 0.000 4.667) 5.443 11.311 ( -0.303 0.000 2.901) 2.917 11.316 ( 0.526 0.000 3.261) 3.303 11.452 ( 2.621 0.000 -3.679) 4.518 11.579 ( -1.336 0.000 1.892) 2.316 11.717 ( 0.668 0.000 -2.342) 2.435 11.751 ( 0.077 0.000 -7.164) 7.164 11.822 ( -0.811 0.000 -10.957) 10.987 ======================= Grid point 112 (62/87) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 1.148 1.821 10.571) 10.788 1.198 ( 1.885 -2.071 -0.638) 2.872 1.251 ( 1.782 3.223 1.253) 3.891 1.280 ( 0.022 5.909 -3.819) 7.036 1.378 ( -4.791 5.228 7.197) 10.103 1.585 ( -1.103 -2.648 9.511) 9.934 1.632 ( 0.258 -4.494 5.192) 6.871 1.819 ( -0.382 2.831 -1.466) 3.211 1.903 ( -0.879 4.669 1.453) 4.969 2.063 ( -1.182 -4.902 -1.305) 5.209 2.078 ( -0.872 5.203 -5.296) 7.475 2.161 ( 1.930 10.201 -6.940) 12.489 2.294 ( -1.043 0.348 4.789) 4.913 2.567 ( 1.209 -1.460 1.936) 2.710 2.602 ( 1.322 -1.394 -2.675) 3.294 2.657 ( -0.181 -0.461 -3.878) 3.909 2.997 ( -0.304 3.246 17.771) 18.068 3.214 ( -1.988 6.481 10.997) 12.918 3.312 ( -6.768 -2.323 22.321) 23.440 3.379 ( -3.421 6.980 -5.485) 9.514 3.623 ( 0.259 -1.275 -1.678) 2.123 3.678 ( 0.500 0.660 3.807) 3.896 3.790 ( 1.241 -0.618 -2.166) 2.572 3.862 ( -0.665 0.396 -3.846) 3.923 3.883 ( -1.256 -6.010 2.711) 6.712 3.967 ( 1.714 -1.608 -3.887) 4.543 4.078 ( 1.700 3.434 -5.424) 6.640 4.241 ( 2.336 -2.231 -10.794) 11.267 4.806 ( -0.835 5.852 0.601) 5.942 4.870 ( 3.345 4.067 -6.106) 8.063 5.163 ( -2.224 -1.156 9.527) 9.851 5.233 ( -3.347 1.160 9.393) 10.039 5.353 ( -1.336 -1.260 -1.765) 2.547 5.611 ( 1.769 3.868 -6.621) 7.870 5.864 ( -0.914 1.548 8.684) 8.868 6.077 ( -1.816 -1.303 -2.376) 3.262 6.176 ( -0.237 -0.568 -4.823) 4.862 6.255 ( 0.612 -4.169 -5.141) 6.647 6.434 ( 0.941 -0.806 -2.848) 3.105 6.505 ( -0.033 -1.787 -3.035) 3.522 7.267 ( 0.302 -0.376 0.432) 0.647 7.283 ( -0.040 -0.005 -0.359) 0.361 7.350 ( 0.983 -2.997 3.211) 4.501 7.431 ( 3.774 -4.465 -1.142) 5.957 9.783 ( 0.923 0.680 -1.102) 1.590 9.842 ( -0.426 -0.641 -0.079) 0.774 9.869 ( 0.770 1.436 -3.551) 3.907 9.977 ( 2.485 -1.008 -5.924) 6.502 10.492 ( -2.355 0.334 10.351) 10.621 10.684 ( -2.787 -6.819 5.621) 9.266 10.845 ( -0.754 0.284 1.973) 2.131 10.850 ( -1.595 -0.074 0.339) 1.633 11.277 ( -2.113 2.603 2.973) 4.481 11.333 ( -0.073 -0.013 2.805) 2.806 11.346 ( -1.084 2.487 2.192) 3.488 11.469 ( 0.431 0.005 -3.829) 3.854 11.576 ( -1.742 1.701 0.979) 2.624 11.697 ( -0.210 -1.289 -3.087) 3.352 11.773 ( 4.299 0.863 -7.416) 8.615 11.805 ( 5.074 -0.159 -7.711) 9.232 ======================= Grid point 113 (63/87) ======================= q-point: ( 0.14 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 0.182 1.310 8.378) 8.481 1.218 ( 1.019 -1.790 -2.792) 3.469 1.251 ( -0.100 6.804 -6.048) 9.104 1.283 ( 1.284 3.168 0.556) 3.463 1.339 ( -3.188 4.283 9.309) 10.732 1.621 ( -0.600 -3.857 7.503) 8.457 1.665 ( -0.170 -4.741 6.688) 8.200 1.775 ( -2.758 1.681 -2.499) 4.083 1.889 ( -1.869 6.090 1.217) 6.486 2.010 ( -1.875 -0.306 -2.191) 2.900 2.029 ( -1.074 0.243 -3.837) 3.992 2.166 ( 1.624 10.225 -6.092) 12.013 2.321 ( 1.142 0.299 6.133) 6.245 2.587 ( 0.007 -1.729 0.275) 1.750 2.617 ( 1.655 -1.104 -2.882) 3.502 2.638 ( -0.240 -1.079 -3.115) 3.305 3.077 ( -3.178 2.043 21.111) 21.447 3.237 ( -3.028 7.651 -2.241) 8.528 3.284 ( -1.990 4.894 9.542) 10.907 3.308 ( -3.446 1.115 16.077) 16.480 3.625 ( 1.128 2.458 -4.580) 5.319 3.694 ( -0.427 -2.512 5.893) 6.420 3.775 ( -2.547 -1.909 -2.581) 4.098 3.846 ( -0.470 -5.326 0.451) 5.365 3.892 ( 3.555 -0.016 -2.215) 4.189 3.999 ( 2.082 -0.740 -2.110) 3.055 4.083 ( 1.762 3.681 -4.849) 6.338 4.236 ( 2.813 -1.240 -9.906) 10.372 4.782 ( -1.485 5.939 -0.197) 6.125 4.904 ( 3.083 3.298 -6.362) 7.801 5.147 ( -4.594 -1.617 9.900) 11.033 5.213 ( -3.590 -0.373 9.311) 9.986 5.328 ( -0.577 0.853 0.561) 1.173 5.590 ( -0.153 5.802 -5.948) 8.310 5.866 ( -3.955 -3.113 9.432) 10.692 6.012 ( -2.129 1.228 -2.371) 3.415 6.176 ( 1.756 2.282 -4.387) 5.247 6.264 ( 2.346 -5.693 -4.542) 7.651 6.428 ( -0.002 -2.483 -2.109) 3.258 6.519 ( 2.578 -1.618 -2.140) 3.721 7.210 ( -3.832 -0.750 -0.446) 3.930 7.258 ( -2.473 0.425 -0.377) 2.538 7.395 ( 1.169 -2.993 0.876) 3.330 7.483 ( 2.214 -4.376 -3.221) 5.867 9.790 ( 0.413 0.389 -1.118) 1.253 9.824 ( -1.097 -0.332 -0.746) 1.368 9.862 ( 0.637 1.511 -3.829) 4.165 9.973 ( 0.203 -1.047 -5.515) 5.617 10.504 ( -2.186 0.373 10.256) 10.493 10.640 ( -4.650 -4.087 8.389) 10.426 10.812 ( -1.142 0.806 -1.996) 2.437 10.858 ( -0.156 -0.573 3.580) 3.628 11.242 ( -2.509 2.992 3.602) 5.313 11.330 ( -1.212 0.979 3.160) 3.524 11.354 ( -0.650 -0.606 4.137) 4.231 11.436 ( -1.283 -0.327 -3.594) 3.830 11.553 ( -0.933 1.126 0.806) 1.670 11.674 ( -0.224 -2.059 -2.700) 3.403 11.825 ( 5.250 1.637 -9.007) 10.554 11.896 ( 7.501 -0.465 -10.376) 12.812 ======================= Grid point 114 (64/87) ======================= q-point: ( 0.29 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -1.602 0.674 5.741) 5.999 1.213 ( -0.335 5.442 -3.156) 6.299 1.238 ( 3.128 1.756 -7.051) 7.911 1.307 ( 0.905 2.397 -1.170) 2.817 1.342 ( -1.610 0.843 9.253) 9.430 1.623 ( -2.886 -6.888 5.207) 9.104 1.693 ( -1.948 -1.850 6.393) 6.935 1.712 ( -0.442 0.559 -1.750) 1.889 1.839 ( -1.914 1.558 -1.679) 2.985 1.977 ( -0.367 3.617 -1.815) 4.064 2.017 ( 0.830 -0.998 -1.259) 1.809 2.155 ( 0.921 10.894 -5.750) 12.353 2.393 ( 1.781 0.391 5.704) 5.988 2.559 ( -2.847 -2.115 -0.003) 3.547 2.606 ( -1.290 -0.771 -1.004) 1.808 2.631 ( 1.661 0.023 -6.765) 6.966 3.099 ( -5.015 2.631 20.091) 20.874 3.163 ( -0.346 9.020 -0.851) 9.067 3.323 ( -2.814 -0.408 18.411) 18.629 3.352 ( -0.716 5.446 7.544) 9.331 3.620 ( 1.292 4.483 -4.481) 6.469 3.711 ( -1.457 -5.655 3.711) 6.919 3.740 ( 0.353 -2.135 0.508) 2.223 3.832 ( -1.535 -4.222 2.931) 5.364 3.939 ( 2.679 0.583 -6.737) 7.274 4.008 ( -0.566 0.870 -0.964) 1.416 4.103 ( 2.317 2.985 -3.271) 4.998 4.245 ( 3.238 -0.996 -9.559) 10.141 4.752 ( -1.183 6.075 -0.177) 6.191 4.917 ( 1.691 3.059 -6.641) 7.505 5.104 ( -4.787 -1.156 10.571) 11.662 5.198 ( -2.741 -2.045 9.204) 9.819 5.338 ( 0.939 1.625 1.229) 2.244 5.563 ( 0.594 6.383 -4.311) 7.725 5.811 ( -5.738 -3.929 7.364) 10.128 5.984 ( 0.242 1.516 -0.846) 1.753 6.183 ( 0.941 0.926 -3.160) 3.424 6.275 ( 1.357 -3.315 -6.670) 7.571 6.419 ( -0.256 -5.055 -0.539) 5.090 6.560 ( 2.291 -2.228 -2.624) 4.135 7.140 ( -2.198 0.162 -0.779) 2.338 7.208 ( -1.973 0.432 -0.748) 2.154 7.391 ( -1.312 -2.716 -0.706) 3.098 7.485 ( -0.134 -3.877 -3.479) 5.211 9.788 ( -0.535 0.042 -0.599) 0.804 9.795 ( -0.551 -0.085 -1.921) 2.000 9.857 ( 0.985 1.064 -4.158) 4.403 9.929 ( -1.676 -0.644 -4.345) 4.701 10.509 ( -2.515 0.711 8.859) 9.237 10.614 ( -3.119 -1.933 10.749) 11.358 10.783 ( -0.567 0.938 -2.215) 2.471 10.867 ( -0.880 -1.175 3.071) 3.404 11.228 ( -0.859 1.619 3.608) 4.047 11.317 ( -2.041 0.142 3.314) 3.895 11.357 ( -1.188 -0.587 4.111) 4.319 11.400 ( -0.813 -0.115 -1.073) 1.351 11.548 ( 0.019 0.909 0.784) 1.200 11.662 ( 0.192 -2.130 -1.841) 2.822 11.875 ( 4.659 1.953 -9.960) 11.168 11.970 ( 6.312 -0.765 -13.531) 14.950 ======================= Grid point 115 (65/87) ======================= q-point: (-0.57 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -3.491 0.350 5.162) 6.242 1.197 ( 0.007 5.834 -1.798) 6.105 1.247 ( 0.827 2.878 -7.354) 7.940 1.293 ( -0.667 2.150 -2.948) 3.709 1.389 ( 1.437 -4.565 8.176) 9.474 1.575 ( -4.130 -4.936 5.296) 8.335 1.661 ( -1.780 3.152 0.400) 3.642 1.703 ( -0.541 -6.793 -2.201) 7.161 1.867 ( 4.390 -0.357 2.899) 5.273 1.963 ( -0.360 5.007 -1.095) 5.138 2.033 ( 1.934 -1.529 -3.368) 4.174 2.154 ( 1.427 9.419 -4.997) 10.757 2.416 ( -2.004 1.701 2.823) 3.858 2.499 ( -2.880 -0.519 1.157) 3.147 2.571 ( -1.518 1.367 -0.885) 2.227 2.620 ( 1.729 1.505 -7.541) 7.881 3.130 ( -2.875 1.477 21.435) 21.677 3.220 ( 4.876 9.334 2.159) 10.750 3.329 ( -4.003 4.598 3.269) 6.918 3.358 ( -4.667 -0.874 19.818) 20.379 3.626 ( 0.892 1.923 -3.653) 4.223 3.710 ( -0.482 -3.351 4.204) 5.398 3.751 ( 0.183 -4.278 -0.099) 4.283 3.818 ( -1.343 -1.361 3.100) 3.642 3.933 ( 1.073 1.608 -7.545) 7.789 3.974 ( -2.304 2.643 1.142) 3.687 4.121 ( 1.127 2.082 -4.003) 4.651 4.254 ( 2.534 -1.445 -9.264) 9.713 4.740 ( -0.122 5.888 0.790) 5.942 4.902 ( 0.539 2.833 -6.626) 7.226 5.086 ( -2.707 -0.438 10.837) 11.179 5.203 ( -1.655 -2.349 8.500) 8.972 5.371 ( 1.828 0.183 0.104) 1.840 5.570 ( 2.122 5.744 -4.634) 7.679 5.742 ( -4.839 -1.402 8.655) 10.015 6.016 ( 3.360 -0.643 -0.038) 3.421 6.176 ( -0.730 -3.613 -1.617) 4.026 6.258 ( 2.515 1.938 -9.930) 10.425 6.406 ( -0.970 -6.093 0.508) 6.191 6.565 ( 0.093 -3.543 -4.611) 5.816 7.125 ( 0.797 0.988 -0.167) 1.281 7.173 ( -1.264 0.892 -0.902) 1.791 7.355 ( -1.520 -2.301 -0.051) 2.759 7.446 ( -1.764 -3.686 -3.319) 5.264 9.761 ( -0.954 0.313 -1.316) 1.655 9.791 ( 0.500 -0.428 -1.336) 1.490 9.850 ( 0.194 0.526 -4.790) 4.823 9.883 ( -0.111 -0.201 -2.871) 2.880 10.506 ( -2.268 1.059 8.159) 8.535 10.622 ( -2.140 -1.837 10.970) 11.327 10.767 ( 0.005 1.252 -1.799) 2.192 10.860 ( -1.011 -1.069 2.362) 2.783 11.242 ( 0.225 0.425 3.050) 3.088 11.290 ( -1.987 -0.588 2.905) 3.568 11.355 ( -1.427 0.308 4.472) 4.705 11.389 ( 0.012 0.166 -0.259) 0.308 11.560 ( 0.440 0.718 1.645) 1.848 11.663 ( 0.593 -2.047 -0.796) 2.275 11.896 ( 2.925 1.986 -10.410) 10.994 12.002 ( 4.792 -0.934 -15.550) 16.298 ======================= Grid point 116 (66/87) ======================= q-point: (-0.43 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -5.313 1.870 5.629) 7.963 1.163 ( -3.497 2.294 1.655) 4.498 1.235 ( 1.481 5.941 -3.027) 6.830 1.258 ( -1.193 2.209 -2.545) 3.575 1.440 ( -1.256 -9.078 4.589) 10.249 1.556 ( 0.709 -1.485 4.918) 5.186 1.623 ( -1.141 -2.526 -2.306) 3.606 1.721 ( 2.921 -2.048 -0.328) 3.582 1.944 ( 0.460 10.277 -0.790) 10.318 1.996 ( 4.314 -5.392 2.002) 7.189 2.057 ( 2.068 -2.370 -3.259) 4.529 2.130 ( -0.105 9.660 -7.420) 12.181 2.363 ( -3.589 2.397 1.181) 4.475 2.462 ( -2.094 -0.764 3.640) 4.268 2.552 ( -0.094 2.238 0.161) 2.246 2.640 ( 3.789 3.074 -5.803) 7.581 3.204 ( -2.037 -0.658 21.571) 21.677 3.231 ( -6.858 3.562 2.010) 7.985 3.315 ( -1.406 5.480 8.950) 10.588 3.368 ( -0.538 4.523 10.504) 11.449 3.614 ( 0.314 0.082 -4.021) 4.034 3.727 ( -0.437 -1.074 3.947) 4.114 3.750 ( -0.743 -4.453 3.478) 5.699 3.814 ( -0.220 -0.070 1.857) 1.871 3.917 ( 0.989 1.182 -6.336) 6.521 3.951 ( -0.591 2.563 1.874) 3.229 4.103 ( -0.177 2.162 -5.553) 5.962 4.249 ( 2.130 -2.125 -8.591) 9.103 4.756 ( 0.745 5.464 2.251) 5.956 4.875 ( 0.573 2.957 -6.790) 7.428 5.105 ( -1.190 -0.406 9.568) 9.650 5.216 ( -1.516 -1.818 7.697) 8.053 5.400 ( 1.173 -0.766 -1.247) 1.875 5.576 ( 1.449 3.298 -6.444) 7.383 5.733 ( -1.436 2.627 10.639) 11.052 6.112 ( 6.206 -4.617 -3.577) 8.522 6.132 ( -1.178 -3.191 -3.513) 4.890 6.295 ( 5.367 2.889 -7.070) 9.335 6.391 ( -0.831 -5.415 1.153) 5.599 6.531 ( -0.187 -4.050 -4.815) 6.295 7.139 ( -1.444 0.974 -0.927) 1.973 7.157 ( 1.835 1.080 -0.056) 2.130 7.343 ( -0.475 -2.131 1.721) 2.780 7.388 ( -2.073 -3.200 -1.939) 4.278 9.744 ( -0.033 0.566 -1.055) 1.197 9.800 ( 1.017 -0.756 -0.988) 1.607 9.828 ( 0.476 0.818 -3.024) 3.168 9.891 ( 2.150 -0.569 -4.118) 4.680 10.505 ( -2.334 1.048 8.085) 8.481 10.644 ( -1.219 -2.966 9.457) 9.986 10.767 ( 0.786 1.864 -0.312) 2.046 10.858 ( -0.351 -0.871 1.928) 2.145 11.263 ( 0.365 -0.165 2.293) 2.327 11.275 ( -1.372 -0.780 3.895) 4.202 11.348 ( -1.432 1.675 4.219) 4.760 11.397 ( 1.220 0.212 -1.408) 1.874 11.580 ( 0.302 0.563 2.313) 2.399 11.674 ( 0.715 -2.056 -0.279) 2.195 11.879 ( 1.060 2.027 -10.427) 10.675 11.990 ( 2.406 -0.991 -16.354) 16.560 ======================= Grid point 117 (67/87) ======================= q-point: (-0.29 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -4.253 3.066 7.611) 9.242 1.129 ( -1.158 3.083 6.168) 6.992 1.205 ( -1.813 -0.421 -1.420) 2.341 1.268 ( 1.587 6.658 -0.710) 6.882 1.423 ( -1.566 -5.146 3.437) 6.384 1.592 ( 0.303 -3.366 -1.359) 3.642 1.616 ( -0.406 -3.577 5.159) 6.291 1.784 ( 2.430 1.336 0.598) 2.836 1.936 ( -0.533 7.712 -1.529) 7.880 2.028 ( 0.685 -0.643 -3.926) 4.037 2.095 ( 1.978 -1.770 1.486) 3.042 2.122 ( 3.229 10.364 -7.862) 13.403 2.313 ( -1.884 1.515 1.696) 2.953 2.468 ( 0.569 -2.291 4.813) 5.361 2.564 ( 0.818 0.715 1.002) 1.478 2.685 ( 2.825 2.172 -4.033) 5.382 3.077 ( -8.372 2.064 1.103) 8.693 3.255 ( -4.922 1.318 16.148) 16.933 3.297 ( -5.466 -0.317 21.471) 22.158 3.427 ( 2.462 8.956 -0.692) 9.314 3.603 ( 1.034 2.466 -4.576) 5.300 3.703 ( -4.717 -0.360 9.086) 10.244 3.784 ( 1.772 -4.543 2.865) 5.655 3.849 ( 2.756 -1.492 -1.119) 3.328 3.887 ( -1.126 0.577 -4.035) 4.229 3.968 ( 1.407 -0.292 0.103) 1.441 4.068 ( 0.344 2.913 -5.955) 6.638 4.252 ( 2.728 -2.859 -9.094) 9.916 4.785 ( 0.699 5.346 2.333) 5.875 4.855 ( 1.145 4.027 -6.738) 7.933 5.129 ( -1.385 -0.881 8.405) 8.563 5.228 ( -1.424 -0.565 7.910) 8.057 5.403 ( 0.050 -0.817 -1.844) 2.018 5.575 ( 2.107 1.874 -6.053) 6.678 5.775 ( 0.036 4.665 8.710) 9.881 6.088 ( 0.685 -2.322 -6.945) 7.354 6.207 ( 4.503 -6.770 -7.158) 10.833 6.356 ( 1.035 -0.241 -0.845) 1.358 6.397 ( 2.674 -2.375 -3.642) 5.105 6.528 ( 1.561 -2.839 -2.348) 4.001 7.121 ( 0.615 0.111 0.087) 0.631 7.191 ( 1.759 0.169 0.192) 1.777 7.330 ( -1.017 -2.775 1.683) 3.401 7.376 ( 0.190 -1.363 1.859) 2.313 9.748 ( 0.894 0.712 -0.744) 1.363 9.820 ( 1.312 -0.934 -0.472) 1.679 9.840 ( 1.928 0.944 -2.321) 3.162 9.915 ( 2.769 -0.747 -5.070) 5.825 10.499 ( -2.753 0.815 8.484) 8.957 10.670 ( -0.557 -4.536 6.133) 7.649 10.801 ( 1.982 1.335 2.359) 3.358 10.864 ( -0.146 -0.657 1.624) 1.758 11.271 ( -0.713 -0.270 3.415) 3.499 11.285 ( 0.271 -0.362 3.067) 3.101 11.349 ( -0.441 3.068 3.234) 4.479 11.422 ( 2.265 0.322 -2.343) 3.275 11.593 ( -0.213 0.702 2.179) 2.299 11.686 ( 0.797 -1.931 -0.724) 2.211 11.831 ( -0.318 1.937 -9.714) 9.911 11.918 ( -0.932 -0.622 -15.080) 15.122 ======================= Grid point 118 (68/87) ======================= q-point: (-0.14 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -1.033 2.962 10.057) 10.535 1.170 ( 0.465 0.569 3.640) 3.713 1.191 ( 2.073 1.233 1.531) 2.857 1.287 ( 0.813 6.033 -1.676) 6.314 1.417 ( -1.722 -0.045 4.160) 4.503 1.594 ( -3.234 -0.547 5.475) 6.383 1.603 ( -0.505 -5.313 4.345) 6.882 1.815 ( 1.024 3.808 -0.583) 3.986 1.917 ( -0.705 4.565 -0.488) 4.645 2.048 ( 2.522 0.932 -2.675) 3.793 2.114 ( -0.327 -1.737 -1.069) 2.065 2.150 ( 3.305 11.191 -7.061) 13.639 2.298 ( -1.256 0.526 3.002) 3.297 2.521 ( 1.569 -2.097 4.682) 5.365 2.587 ( 1.098 -0.879 -0.270) 1.432 2.692 ( 0.080 0.131 -5.376) 5.378 2.960 ( -4.513 3.599 8.726) 10.462 3.222 ( -4.932 5.693 12.774) 14.830 3.316 ( -5.476 -2.968 22.280) 23.134 3.442 ( -0.546 7.051 -2.335) 7.447 3.614 ( 2.451 2.910 -4.026) 5.540 3.665 ( -3.565 -1.023 8.467) 9.244 3.804 ( 0.158 -2.209 -4.446) 4.967 3.863 ( 0.386 -2.432 2.220) 3.316 3.880 ( 0.427 -1.814 -0.664) 1.978 3.983 ( 0.495 -3.169 -3.977) 5.110 4.066 ( 2.107 3.884 -4.857) 6.566 4.252 ( 2.557 -2.969 -10.646) 11.344 4.804 ( 0.396 5.389 0.979) 5.491 4.851 ( 1.784 5.021 -5.702) 7.804 5.146 ( -1.359 -0.919 8.705) 8.858 5.239 ( -2.142 0.944 8.722) 9.031 5.386 ( -0.648 -1.536 -2.311) 2.850 5.595 ( 2.957 2.071 -6.126) 7.111 5.823 ( 0.303 4.407 7.754) 8.924 6.084 ( 1.938 -0.805 -5.243) 5.647 6.218 ( 1.208 -8.004 -8.409) 11.672 6.315 ( -3.939 -0.331 -1.159) 4.119 6.425 ( 2.045 -1.171 -4.936) 5.469 6.532 ( -0.260 -1.589 -2.843) 3.267 7.181 ( 4.668 -0.749 1.408) 4.933 7.254 ( 4.044 -0.390 0.471) 4.090 7.330 ( -0.566 -3.245 2.974) 4.437 7.389 ( 0.249 -1.662 1.801) 2.463 9.766 ( 1.236 0.774 -0.850) 1.688 9.840 ( 0.635 -0.907 0.009) 1.108 9.864 ( 1.569 1.110 -2.856) 3.442 9.947 ( 3.317 -0.819 -5.722) 6.664 10.490 ( -2.782 0.503 9.420) 9.835 10.687 ( -0.626 -5.796 4.568) 7.406 10.842 ( 0.099 -0.582 2.488) 2.557 10.869 ( -0.187 -0.524 1.068) 1.204 11.281 ( -0.344 0.881 3.340) 3.472 11.310 ( 0.610 -0.437 2.647) 2.751 11.357 ( -0.482 4.197 1.851) 4.612 11.456 ( 2.395 0.317 -3.109) 3.937 11.595 ( -0.616 1.597 1.544) 2.305 11.699 ( 1.144 -1.279 -1.915) 2.572 11.770 ( -0.483 1.342 -7.756) 7.886 11.819 ( -0.874 -0.304 -10.802) 10.842 ======================= Grid point 119 (69/87) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.612 6.530 9.521) 11.561 1.139 ( 1.560 -4.080 2.807) 5.192 1.307 ( -0.151 3.819 0.914) 3.930 1.380 ( -1.312 0.715 -0.319) 1.528 1.459 ( -0.333 -0.814 11.867) 11.900 1.535 ( -0.630 -4.403 8.700) 9.771 1.597 ( -1.826 9.706 -0.940) 9.921 1.809 ( 0.579 -7.336 -4.223) 8.485 1.927 ( -0.376 0.842 -1.834) 2.053 1.973 ( -2.356 -2.469 -1.675) 3.801 2.213 ( 0.336 6.483 0.311) 6.499 2.290 ( -0.701 -1.339 4.531) 4.776 2.409 ( 1.412 11.081 -9.096) 14.405 2.539 ( 1.511 -2.068 0.313) 2.580 2.566 ( 1.309 -0.985 -3.279) 3.666 2.613 ( -0.669 -3.856 -2.666) 4.735 3.096 ( -2.923 6.421 20.594) 21.769 3.226 ( -4.775 -5.705 21.283) 22.546 3.377 ( -2.044 7.748 6.591) 10.375 3.474 ( -1.604 -0.252 -3.782) 4.116 3.610 ( -1.415 2.663 2.051) 3.647 3.706 ( 0.309 -2.257 -0.950) 2.468 3.758 ( -1.650 -2.067 1.887) 3.249 3.777 ( 0.137 -0.908 -0.881) 1.273 3.885 ( 1.073 1.145 -1.812) 2.397 3.921 ( 2.367 -2.444 -2.582) 4.271 4.141 ( 2.423 2.815 -7.976) 8.798 4.193 ( 2.731 -2.486 -9.497) 10.190 4.941 ( -0.935 6.921 2.487) 7.413 4.985 ( 1.453 5.800 -2.639) 6.536 5.105 ( -2.297 -3.398 5.483) 6.847 5.172 ( -0.591 -6.562 1.047) 6.671 5.445 ( -1.835 9.652 3.611) 10.468 5.631 ( 1.170 -5.382 1.753) 5.780 5.882 ( -1.156 3.260 -5.473) 6.474 6.021 ( 1.555 -9.051 -7.510) 11.863 6.148 ( -0.451 7.250 3.508) 8.067 6.268 ( -1.164 -1.411 1.770) 2.546 6.403 ( 0.882 0.001 -5.823) 5.889 6.454 ( 0.091 -3.219 -4.079) 5.197 7.264 ( -0.328 0.263 0.973) 1.060 7.283 ( 2.732 -0.760 1.228) 3.091 7.296 ( -0.373 -0.750 0.402) 0.929 7.336 ( 2.145 -3.998 -0.574) 4.573 9.802 ( 0.532 1.090 -0.692) 1.396 9.824 ( 0.022 -1.062 -0.300) 1.104 9.906 ( 1.312 2.102 -4.170) 4.851 9.947 ( 1.974 -1.860 -5.070) 5.750 10.510 ( -2.431 1.698 9.885) 10.321 10.569 ( -2.757 -4.337 8.884) 10.263 10.845 ( -0.524 0.013 1.513) 1.601 10.847 ( -0.879 -0.182 0.169) 0.913 11.304 ( -0.697 0.831 3.215) 3.393 11.320 ( -0.125 -0.819 3.251) 3.355 11.417 ( -1.509 3.119 -1.305) 3.703 11.459 ( -0.435 -1.154 -2.673) 2.944 11.620 ( -2.046 2.421 -0.681) 3.242 11.665 ( -1.398 -1.950 -2.249) 3.288 11.789 ( 4.801 0.706 -7.416) 8.863 11.800 ( 5.085 -0.382 -7.534) 9.098 ======================= Grid point 120 (70/87) ======================= q-point: ( 0.14 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.286 6.123 8.254) 10.281 1.181 ( 0.901 -2.800 2.063) 3.593 1.294 ( 0.199 2.290 -2.819) 3.637 1.345 ( -2.054 -0.049 0.911) 2.248 1.498 ( -1.959 -1.760 11.746) 12.038 1.554 ( -1.930 4.903 -0.102) 5.270 1.565 ( -0.881 1.446 6.402) 6.622 1.779 ( -1.150 -5.734 -5.048) 7.726 1.896 ( -2.745 -1.528 -1.802) 3.622 1.927 ( -0.329 -2.036 -0.274) 2.080 2.195 ( -1.738 8.825 -1.443) 9.110 2.305 ( -0.119 -2.066 3.012) 3.654 2.400 ( 2.091 10.449 -4.663) 11.632 2.546 ( -0.754 -3.290 0.002) 3.375 2.581 ( 2.423 -1.863 -5.063) 5.914 2.594 ( -0.425 -2.532 -1.134) 2.806 3.146 ( -4.026 4.729 21.670) 22.542 3.242 ( -5.267 -4.148 21.556) 22.575 3.394 ( 0.256 6.959 2.531) 7.410 3.445 ( 1.435 4.386 -2.430) 5.216 3.608 ( -0.815 -1.073 3.484) 3.735 3.680 ( -2.081 -5.813 -1.709) 6.406 3.724 ( -0.878 3.184 0.078) 3.304 3.781 ( -0.294 -2.116 0.555) 2.207 3.911 ( 3.071 1.897 -3.817) 5.253 3.961 ( 2.658 -2.676 -3.108) 4.887 4.151 ( 2.596 3.009 -6.607) 7.711 4.202 ( 3.003 -2.106 -8.105) 8.896 4.924 ( -1.758 7.259 1.926) 7.713 4.997 ( 0.866 4.477 -2.024) 4.989 5.078 ( -3.126 -3.281 5.523) 7.144 5.156 ( -1.868 -5.738 2.505) 6.534 5.435 ( -0.803 10.103 2.774) 10.508 5.651 ( -0.062 -7.390 1.207) 7.488 5.820 ( -2.236 6.041 -3.361) 7.265 5.997 ( -0.188 -8.039 -5.944) 10.000 6.152 ( -1.385 4.895 3.923) 6.424 6.269 ( -0.291 -2.422 2.641) 3.595 6.379 ( 0.507 1.573 -6.576) 6.781 6.462 ( 2.246 -4.117 -3.187) 5.671 7.209 ( -3.175 1.036 -0.426) 3.367 7.248 ( -2.936 -1.941 -0.260) 3.529 7.349 ( 1.974 -0.221 -0.482) 2.044 7.391 ( 2.201 -3.952 -1.368) 4.725 9.801 ( -0.111 0.644 -0.901) 1.113 9.814 ( -0.678 -0.593 -0.765) 1.181 9.901 ( 0.507 2.174 -4.377) 4.914 9.943 ( 0.327 -1.917 -5.027) 5.390 10.521 ( -2.034 1.390 9.954) 10.255 10.565 ( -2.580 -3.090 9.525) 10.341 10.827 ( -1.003 0.745 -0.352) 1.298 10.843 ( -0.570 -0.850 1.471) 1.792 11.295 ( -2.099 1.978 3.395) 4.455 11.326 ( -1.380 -1.267 3.915) 4.340 11.375 ( -1.673 2.400 0.350) 2.947 11.418 ( -1.828 -1.584 -2.053) 3.173 11.585 ( -1.151 1.988 0.365) 2.326 11.629 ( -0.918 -2.331 -1.033) 2.710 11.857 ( 6.037 1.475 -9.420) 11.285 11.882 ( 6.828 -0.964 -9.904) 12.068 ======================= Grid point 121 (71/87) ======================= q-point: ( 0.29 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -2.802 5.811 6.250) 8.982 1.201 ( 0.006 -3.492 3.166) 4.713 1.297 ( 1.285 1.364 -2.950) 3.495 1.320 ( 0.058 -0.504 -2.315) 2.370 1.484 ( -3.033 4.446 -2.219) 5.821 1.525 ( -1.143 3.851 6.703) 7.815 1.582 ( -1.605 -4.540 6.028) 7.716 1.722 ( -1.291 -5.716 -4.008) 7.100 1.828 ( -2.722 2.686 -0.786) 3.904 1.930 ( 0.351 -5.857 -0.781) 5.920 2.156 ( -0.955 10.249 -0.816) 10.325 2.303 ( -0.704 -2.019 -1.030) 2.373 2.436 ( 1.966 6.422 0.204) 6.719 2.521 ( -1.693 -1.575 1.219) 2.613 2.582 ( 0.279 -0.962 -1.729) 1.998 2.607 ( 2.993 -2.498 -6.388) 7.483 3.166 ( -5.291 4.218 21.352) 22.398 3.249 ( -4.870 -3.000 20.067) 20.866 3.404 ( 0.925 9.077 -0.051) 9.125 3.499 ( 2.026 6.760 1.978) 7.329 3.581 ( -2.825 -5.553 2.708) 6.793 3.656 ( 0.223 -5.234 -2.081) 5.637 3.719 ( 0.319 3.797 0.299) 3.822 3.779 ( -0.088 -2.113 1.364) 2.516 3.951 ( 2.843 1.134 -4.751) 5.652 3.989 ( 1.569 -2.129 -2.253) 3.475 4.169 ( 2.079 3.126 -4.721) 6.032 4.219 ( 2.523 -1.781 -7.124) 7.764 4.897 ( -1.783 7.347 1.645) 7.737 4.991 ( -0.716 1.775 -1.347) 2.341 5.053 ( -2.095 -1.204 5.848) 6.328 5.134 ( -1.838 -4.871 3.900) 6.505 5.440 ( 0.069 9.171 1.244) 9.255 5.641 ( -1.202 -7.419 0.016) 7.516 5.773 ( -0.794 8.039 -1.568) 8.229 5.961 ( -0.270 -7.391 -4.628) 8.724 6.136 ( -2.322 2.723 4.291) 5.588 6.265 ( -1.830 -7.259 3.487) 8.258 6.365 ( 1.735 5.725 -7.822) 9.847 6.485 ( 1.499 -5.235 -3.870) 6.681 7.157 ( -1.280 1.676 -0.759) 2.242 7.199 ( -1.498 -1.720 -0.636) 2.368 7.354 ( -0.681 0.115 -1.360) 1.526 7.400 ( -0.342 -3.886 -1.951) 4.362 9.790 ( -0.592 0.135 -0.930) 1.111 9.793 ( -0.647 -0.146 -1.419) 1.566 9.883 ( 0.164 1.451 -4.317) 4.557 9.910 ( -0.850 -1.213 -4.394) 4.637 10.531 ( -2.124 1.552 9.224) 9.592 10.570 ( -2.242 -2.218 9.977) 10.464 10.807 ( -0.597 1.410 -0.741) 1.701 10.838 ( -0.633 -1.585 1.104) 2.033 11.266 ( -2.001 2.017 2.935) 4.084 11.303 ( -2.542 -1.511 2.972) 4.193 11.363 ( -0.677 1.119 2.747) 3.043 11.388 ( -0.872 -1.055 1.031) 1.714 11.576 ( -0.199 1.752 0.765) 1.922 11.616 ( -0.139 -2.250 -0.187) 2.262 11.915 ( 5.190 1.904 -11.282) 12.563 11.948 ( 5.793 -1.390 -12.538) 13.881 ======================= Grid point 122 (72/87) ======================= q-point: (-0.57 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -2.936 6.005 5.804) 8.853 1.213 ( -0.930 -6.878 3.952) 7.987 1.286 ( -1.604 1.687 -0.760) 2.449 1.318 ( 0.486 0.181 -2.803) 2.850 1.409 ( -1.408 6.210 -6.111) 8.825 1.533 ( -0.643 -5.672 -3.817) 6.867 1.560 ( -1.657 3.086 6.276) 7.187 1.714 ( 1.345 -4.535 -1.126) 4.863 1.804 ( 0.515 2.257 2.550) 3.444 1.932 ( 0.995 -7.172 -2.043) 7.523 2.150 ( 0.427 9.857 -0.089) 9.866 2.276 ( -0.418 -0.616 -3.215) 3.300 2.447 ( -1.733 2.376 2.147) 3.641 2.492 ( -2.653 -0.898 2.444) 3.717 2.592 ( 1.925 1.789 -3.289) 4.210 2.633 ( 3.323 -0.945 -6.194) 7.092 3.180 ( -4.464 3.740 20.810) 21.610 3.271 ( -4.497 -4.585 19.323) 20.362 3.435 ( 2.035 8.457 1.062) 8.763 3.485 ( -3.009 7.880 2.609) 8.829 3.580 ( -0.308 -4.589 2.170) 5.085 3.640 ( 0.805 -5.443 -5.117) 7.513 3.744 ( 1.014 3.373 2.730) 4.456 3.796 ( 0.521 -1.505 2.885) 3.296 3.964 ( 0.839 1.701 -4.120) 4.536 3.993 ( -0.492 -0.638 -0.125) 0.815 4.173 ( 0.799 2.700 -4.765) 5.535 4.220 ( 1.449 -1.951 -7.390) 7.779 4.877 ( -1.027 6.887 1.891) 7.215 4.961 ( -1.181 0.781 -1.434) 2.015 5.060 ( -0.645 -0.095 5.994) 6.029 5.131 ( -0.665 -4.790 4.165) 6.383 5.449 ( 0.309 7.697 0.536) 7.722 5.610 ( -1.489 -5.569 -0.772) 5.816 5.779 ( 1.763 7.670 -0.017) 7.870 5.948 ( 1.537 -7.682 -4.201) 8.890 6.117 ( -1.527 2.369 3.700) 4.651 6.246 ( -1.405 -8.706 2.634) 9.204 6.355 ( 1.576 5.805 -7.538) 9.644 6.472 ( -0.178 -5.510 -5.502) 7.788 7.154 ( 1.033 1.822 -0.192) 2.104 7.183 ( -0.126 -0.456 -0.427) 0.637 7.321 ( -1.503 -0.077 -0.977) 1.795 7.364 ( -1.940 -3.816 -2.038) 4.741 9.769 ( -0.546 0.518 -1.253) 1.462 9.780 ( 0.005 -0.582 -1.258) 1.386 9.863 ( 0.055 0.700 -4.284) 4.341 9.876 ( -0.016 -0.506 -3.570) 3.606 10.536 ( -2.215 1.886 8.654) 9.130 10.579 ( -2.224 -2.291 9.627) 10.142 10.797 ( 0.016 1.711 -0.639) 1.827 10.832 ( -0.368 -1.672 0.779) 1.881 11.255 ( -0.827 0.842 3.006) 3.230 11.273 ( -1.799 -0.990 2.953) 3.597 11.369 ( -0.490 0.918 3.208) 3.373 11.385 ( -0.265 -0.591 1.745) 1.862 11.583 ( 0.244 1.506 1.475) 2.122 11.619 ( 0.269 -2.103 0.661) 2.221 11.939 ( 3.536 2.075 -12.367) 13.028 11.976 ( 4.224 -1.630 -14.185) 14.890 ======================= Grid point 123 (73/87) ======================= q-point: (-0.43 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -3.750 7.210 6.983) 10.715 1.199 ( -2.817 -7.171 4.142) 8.747 1.238 ( -2.223 3.388 -0.643) 4.103 1.303 ( -0.698 -1.137 0.797) 1.554 1.385 ( 1.229 4.036 -2.989) 5.170 1.486 ( -0.812 -7.365 -4.202) 8.518 1.586 ( 1.142 6.391 2.485) 6.952 1.744 ( 2.595 -2.771 -2.265) 4.422 1.862 ( 3.276 -1.654 0.768) 3.750 1.962 ( 3.083 -6.420 -1.870) 7.363 2.169 ( 1.296 9.858 0.173) 9.944 2.271 ( 2.291 1.477 -4.206) 5.012 2.399 ( -4.093 1.333 2.794) 5.132 2.436 ( -3.780 -1.938 3.036) 5.221 2.605 ( 1.004 4.132 -3.472) 5.489 2.673 ( 3.309 -1.084 -5.227) 6.281 3.201 ( -4.904 0.769 19.408) 20.033 3.237 ( -8.070 -2.247 15.419) 17.547 3.429 ( -3.801 6.923 7.185) 10.677 3.518 ( 3.328 4.019 1.808) 5.522 3.570 ( 0.287 -1.393 -1.887) 2.363 3.656 ( 2.930 -4.763 -2.935) 6.315 3.770 ( -0.235 3.867 2.738) 4.745 3.817 ( -0.557 -0.496 4.207) 4.273 3.945 ( -0.689 1.800 -3.203) 3.738 3.974 ( -1.807 -0.450 1.699) 2.521 4.153 ( 0.206 2.523 -5.967) 6.481 4.202 ( 1.135 -2.418 -7.780) 8.226 4.881 ( 0.207 6.162 2.701) 6.731 4.941 ( 0.218 1.808 -1.966) 2.680 5.083 ( -0.352 -0.452 5.627) 5.656 5.144 ( -0.155 -4.864 3.097) 5.768 5.458 ( 0.185 6.292 1.125) 6.394 5.581 ( -0.853 -3.748 -0.699) 3.907 5.833 ( 3.363 6.706 -0.230) 7.506 5.972 ( 3.248 -7.576 -6.229) 10.332 6.119 ( 0.060 2.614 2.409) 3.555 6.244 ( -0.301 -8.371 3.062) 8.919 6.362 ( 3.299 3.550 -6.725) 8.289 6.441 ( 0.826 -4.388 -5.628) 7.185 7.166 ( -1.478 1.491 -0.855) 2.267 7.178 ( 0.731 0.601 -0.210) 0.969 7.302 ( -0.608 -1.204 0.465) 1.426 7.320 ( -0.638 -2.863 -0.510) 2.977 9.760 ( 0.236 0.979 -0.957) 1.389 9.781 ( 0.644 -1.074 -0.927) 1.558 9.849 ( 0.964 1.238 -3.383) 3.729 9.874 ( 1.604 -1.104 -3.816) 4.284 10.536 ( -2.467 2.008 8.347) 8.932 10.584 ( -2.224 -2.809 8.848) 9.546 10.803 ( 0.768 1.700 -0.042) 1.866 10.834 ( 0.221 -1.431 0.762) 1.636 11.261 ( -0.242 0.024 2.877) 2.887 11.264 ( -0.897 -0.330 3.640) 3.763 11.379 ( 0.050 1.275 2.541) 2.843 11.396 ( 0.782 -0.427 0.586) 1.066 11.598 ( 0.284 1.304 2.020) 2.421 11.631 ( 0.398 -1.990 1.150) 2.332 11.922 ( 1.599 2.145 -12.575) 12.857 11.962 ( 2.069 -1.737 -14.673) 14.920 ======================= Grid point 124 (74/87) ======================= q-point: (-0.29 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -4.008 7.923 8.303) 12.156 1.146 ( -3.642 -6.246 2.742) 7.733 1.225 ( 0.707 6.192 2.406) 6.680 1.323 ( 0.740 -2.195 6.216) 6.634 1.400 ( 0.852 2.208 -1.542) 2.825 1.469 ( 0.270 -6.350 0.691) 6.393 1.626 ( 1.737 5.774 0.275) 6.036 1.782 ( 2.442 -5.518 -3.104) 6.786 1.918 ( 2.543 0.985 -2.389) 3.625 2.013 ( 2.157 -5.378 -1.585) 6.007 2.188 ( 0.182 10.056 0.227) 10.060 2.307 ( 0.856 0.157 -1.950) 2.136 2.349 ( 0.431 4.197 0.464) 4.244 2.417 ( 0.909 -2.977 3.126) 4.412 2.593 ( -0.385 4.312 -2.883) 5.201 2.690 ( 1.066 -2.859 -5.713) 6.477 3.130 ( -8.579 3.323 13.329) 16.196 3.208 ( -5.807 -4.017 20.648) 21.822 3.403 ( -3.039 8.113 8.564) 12.182 3.558 ( -0.345 -5.671 0.749) 5.731 3.598 ( 3.367 5.780 -1.017) 6.766 3.698 ( 0.461 -3.285 1.669) 3.713 3.758 ( -1.410 4.115 -0.568) 4.387 3.823 ( 0.143 -1.598 0.257) 1.625 3.904 ( -1.952 1.403 -1.310) 2.737 3.943 ( -2.198 -1.980 1.957) 3.547 4.130 ( 1.266 3.039 -6.559) 7.339 4.190 ( 2.014 -3.067 -8.135) 8.924 4.908 ( 0.696 6.063 2.931) 6.770 4.949 ( 1.543 3.526 -2.044) 4.358 5.101 ( -0.816 -1.053 5.256) 5.422 5.158 ( 0.225 -5.372 1.780) 5.664 5.465 ( -0.475 6.182 2.295) 6.611 5.573 ( 0.311 -2.872 0.058) 2.889 5.891 ( 3.000 5.432 -3.394) 7.073 5.998 ( 3.366 -6.366 -8.542) 11.172 6.135 ( 0.234 2.540 1.308) 2.866 6.264 ( 0.132 -7.493 4.336) 8.658 6.404 ( 3.916 2.044 -7.428) 8.642 6.460 ( 3.227 -3.415 -4.158) 6.274 7.135 ( -0.496 1.441 0.133) 1.530 7.174 ( -0.265 -1.955 0.415) 2.016 7.302 ( 0.421 0.496 0.945) 1.148 7.335 ( 0.762 -2.307 1.248) 2.731 9.768 ( 0.989 1.260 -0.547) 1.693 9.796 ( 1.143 -1.376 -0.420) 1.838 9.865 ( 2.195 1.433 -3.099) 4.059 9.894 ( 2.478 -1.331 -4.121) 4.989 10.527 ( -2.930 2.091 8.418) 9.155 10.584 ( -2.408 -3.680 8.214) 9.317 10.825 ( 1.089 1.096 0.636) 1.671 10.846 ( 0.411 -1.022 0.878) 1.409 11.272 ( -0.106 0.216 3.371) 3.380 11.278 ( 0.172 -0.356 3.072) 3.098 11.401 ( 1.134 1.863 1.238) 2.508 11.423 ( 1.894 -0.403 -0.695) 2.057 11.614 ( 0.375 1.408 1.801) 2.317 11.647 ( 0.755 -1.838 0.752) 2.125 11.869 ( -0.324 1.758 -11.595) 11.732 11.900 ( -0.615 -1.251 -13.516) 13.588 ======================= Grid point 125 (75/87) ======================= q-point: (-0.14 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -1.592 7.334 9.553) 12.149 1.113 ( -0.849 -5.009 2.623) 5.717 1.275 ( 1.769 5.521 3.952) 7.016 1.385 ( 1.004 -4.249 7.555) 8.726 1.400 ( 0.107 4.474 0.664) 4.524 1.497 ( 0.403 -5.148 5.646) 7.651 1.635 ( -1.073 7.058 -0.230) 7.143 1.806 ( 1.749 -6.851 -3.662) 7.963 1.937 ( 0.788 2.178 -2.592) 3.476 2.015 ( -0.847 -3.930 -1.673) 4.355 2.195 ( 0.677 7.605 0.742) 7.671 2.289 ( -1.558 -1.594 3.657) 4.282 2.401 ( 4.260 8.380 -7.364) 11.941 2.483 ( 3.244 -1.970 1.844) 4.220 2.569 ( -0.480 1.460 -1.568) 2.195 2.656 ( -0.812 -4.108 -6.430) 7.674 3.070 ( -5.414 6.988 17.631) 19.723 3.210 ( -5.205 -6.206 21.182) 22.678 3.393 ( -2.974 8.922 8.456) 12.647 3.529 ( -1.689 -2.059 -2.954) 3.977 3.637 ( -1.641 2.189 3.339) 4.317 3.717 ( -0.816 -3.075 -0.550) 3.228 3.718 ( 1.877 3.577 0.366) 4.056 3.812 ( -1.050 -3.330 -2.833) 4.497 3.879 ( 0.075 0.762 -0.108) 0.774 3.914 ( -0.734 -2.841 -0.617) 2.999 4.134 ( 2.407 2.940 -6.976) 7.944 4.191 ( 2.580 -2.922 -9.088) 9.889 4.933 ( 0.335 6.740 2.184) 7.093 4.970 ( 1.397 5.034 -1.786) 5.521 5.109 ( -1.262 -2.064 5.484) 5.994 5.170 ( 0.218 -6.364 0.803) 6.418 5.461 ( -1.469 7.771 3.289) 8.565 5.595 ( 1.378 -3.402 1.203) 3.862 5.910 ( 1.532 3.410 -6.210) 7.248 6.017 ( 3.084 -7.752 -8.568) 11.959 6.141 ( -0.481 5.560 2.572) 6.145 6.281 ( -0.995 -5.271 3.777) 6.561 6.416 ( 1.644 1.972 -8.168) 8.562 6.480 ( 0.662 -3.409 -4.690) 5.835 7.175 ( 3.910 0.544 1.712) 4.303 7.212 ( 3.507 -3.011 2.210) 5.124 7.307 ( -0.631 0.970 0.587) 1.298 7.344 ( -0.611 -2.397 0.829) 2.609 9.788 ( 1.101 1.316 -0.487) 1.784 9.816 ( 0.876 -1.386 -0.156) 1.647 9.893 ( 2.119 1.595 -3.550) 4.431 9.924 ( 2.781 -1.439 -4.601) 5.566 10.514 ( -2.978 2.012 9.087) 9.772 10.577 ( -2.691 -4.468 8.295) 9.799 10.843 ( 0.153 0.435 1.091) 1.185 10.855 ( -0.073 -0.732 0.738) 1.042 11.291 ( 0.129 0.395 3.087) 3.115 11.300 ( 0.376 -0.494 2.871) 2.937 11.428 ( 0.918 2.410 -0.462) 2.619 11.456 ( 1.772 -0.555 -1.826) 2.605 11.635 ( 0.836 2.072 0.485) 2.286 11.671 ( 1.431 -1.532 -0.728) 2.219 11.794 ( -0.946 1.001 -9.164) 9.267 11.810 ( -0.996 -0.586 -10.234) 10.299 ======================= Grid point 140 (76/87) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -2.933 0.000 -5.291) 6.049 1.057 ( 2.933 0.000 5.291) 6.049 1.220 ( -0.645 0.000 -1.995) 2.097 1.220 ( 0.645 0.000 1.995) 2.097 1.561 ( 3.736 0.000 -9.662) 10.359 1.561 ( -3.736 0.000 9.662) 10.359 1.729 ( -0.248 0.000 -7.162) 7.166 1.729 ( 0.248 0.000 7.162) 7.166 1.931 ( 2.717 0.000 -8.710) 9.124 1.931 ( -2.717 0.000 8.710) 9.124 2.066 ( -0.255 0.000 -4.591) 4.598 2.066 ( 0.255 0.000 4.591) 4.598 2.440 ( 2.485 0.000 -10.067) 10.369 2.440 ( -2.485 0.000 10.067) 10.369 2.631 ( -0.006 0.000 -0.194) 0.194 2.631 ( 0.006 0.000 0.194) 0.194 3.167 ( -5.249 0.000 -8.096) 9.649 3.167 ( 5.249 0.000 8.096) 9.649 3.451 ( 1.497 0.000 -13.421) 13.504 3.451 ( -1.497 0.000 13.421) 13.504 3.667 ( 5.766 0.000 -11.347) 12.728 3.667 ( -5.766 0.000 11.347) 12.728 3.858 ( 2.940 0.000 -7.820) 8.354 3.858 ( -2.940 0.000 7.820) 8.354 3.876 ( 3.726 0.000 -5.873) 6.955 3.876 ( -3.726 0.000 5.873) 6.955 4.072 ( 1.572 0.000 -6.628) 6.812 4.072 ( -1.572 0.000 6.628) 6.812 4.755 ( 1.599 0.000 -1.569) 2.241 4.755 ( -1.599 0.000 1.569) 2.241 5.348 ( -0.126 0.000 -3.585) 3.587 5.348 ( 0.126 0.000 3.585) 3.587 5.388 ( 2.652 0.000 -11.321) 11.627 5.388 ( -2.652 0.000 11.321) 11.627 5.989 ( 1.082 0.000 -5.733) 5.834 5.989 ( -1.082 0.000 5.733) 5.834 6.189 ( 5.877 0.000 -5.932) 8.350 6.189 ( -5.877 0.000 5.932) 8.350 6.462 ( 0.368 0.000 -3.180) 3.201 6.462 ( -0.368 0.000 3.180) 3.201 7.276 ( -0.967 0.000 -0.292) 1.010 7.276 ( 0.967 0.000 0.292) 1.010 7.443 ( 1.076 0.000 -2.449) 2.675 7.443 ( -1.076 0.000 2.449) 2.675 9.791 ( 0.080 0.000 -2.563) 2.564 9.791 ( -0.080 0.000 2.563) 2.564 9.887 ( 2.043 0.000 -3.920) 4.420 9.887 ( -2.043 0.000 3.920) 4.420 10.685 ( 2.080 0.000 -8.994) 9.231 10.685 ( -2.080 0.000 8.994) 9.231 10.864 ( -3.260 0.000 1.000) 3.410 10.864 ( 3.260 0.000 -1.000) 3.410 11.319 ( 2.044 0.000 -3.748) 4.269 11.319 ( -2.044 0.000 3.748) 4.269 11.406 ( -0.878 0.000 -2.176) 2.347 11.406 ( 0.878 0.000 2.176) 2.347 11.623 ( 2.837 0.000 -5.747) 6.409 11.623 ( -2.837 0.000 5.747) 6.409 11.703 ( 2.533 0.000 -2.753) 3.741 11.703 ( -2.533 0.000 2.753) 3.741 ======================= Grid point 142 (77/87) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -1.240 0.000 -6.728) 6.841 1.112 ( 0.175 0.000 3.450) 3.454 1.199 ( -0.148 0.000 -2.025) 2.031 1.240 ( 0.541 0.000 0.254) 0.598 1.540 ( -3.151 0.000 7.710) 8.329 1.589 ( 4.151 0.000 -9.123) 10.023 1.700 ( 1.108 0.000 -3.931) 4.084 1.747 ( -2.018 0.000 4.837) 5.241 1.906 ( -4.038 0.000 7.114) 8.180 1.927 ( 1.550 0.000 -7.751) 7.905 2.029 ( -2.103 0.000 -1.153) 2.398 2.091 ( -0.765 0.000 5.848) 5.898 2.443 ( 2.873 0.000 -10.672) 11.052 2.476 ( 0.499 0.000 10.120) 10.132 2.618 ( -1.223 0.000 -1.230) 1.734 2.624 ( -0.901 0.000 -0.839) 1.232 3.032 ( -2.923 0.000 -6.001) 6.675 3.284 ( 2.072 0.000 6.407) 6.734 3.414 ( 2.179 0.000 -10.995) 11.209 3.465 ( -3.630 0.000 10.091) 10.724 3.638 ( -3.111 0.000 12.084) 12.478 3.714 ( 5.034 0.000 -13.857) 14.743 3.821 ( -2.798 0.000 7.182) 7.708 3.875 ( 3.498 0.000 -8.262) 8.972 3.897 ( -0.086 0.000 8.169) 8.170 3.937 ( 4.144 0.000 -5.313) 6.738 4.055 ( 0.217 0.000 -6.843) 6.847 4.074 ( -2.127 0.000 8.724) 8.980 4.726 ( -1.808 0.000 1.400) 2.286 4.769 ( 0.982 0.000 -2.593) 2.772 5.330 ( -0.358 0.000 -1.353) 1.400 5.361 ( -0.454 0.000 -2.868) 2.904 5.372 ( 1.296 0.000 -3.523) 3.753 5.381 ( -3.586 0.000 10.422) 11.022 5.970 ( 1.410 0.000 -9.241) 9.348 5.981 ( -1.688 0.000 2.519) 3.033 6.122 ( -5.505 0.000 11.074) 12.367 6.271 ( 3.107 0.000 -0.822) 3.214 6.472 ( 2.502 0.000 -3.595) 4.380 6.488 ( 0.920 0.000 3.139) 3.271 7.209 ( -4.603 0.000 -0.744) 4.663 7.249 ( -3.033 0.000 0.203) 3.040 7.433 ( -0.757 0.000 -0.898) 1.174 7.454 ( 1.448 0.000 -4.128) 4.375 9.778 ( 0.131 0.000 -2.809) 2.812 9.800 ( -0.454 0.000 2.254) 2.299 9.856 ( -2.927 0.000 3.706) 4.723 9.889 ( 0.266 0.000 -3.890) 3.899 10.672 ( 1.700 0.000 -9.039) 9.198 10.677 ( -3.050 0.000 7.182) 7.803 10.821 ( -2.391 0.000 5.326) 5.838 10.910 ( 0.880 0.000 0.121) 0.889 11.299 ( -1.954 0.000 4.230) 4.660 11.329 ( 0.682 0.000 -3.431) 3.499 11.379 ( -0.415 0.000 -1.544) 1.599 11.423 ( 0.010 0.000 0.321) 0.321 11.614 ( -1.323 0.000 7.321) 7.439 11.654 ( 3.340 0.000 -6.311) 7.140 11.682 ( -0.788 0.000 2.478) 2.601 11.740 ( 3.122 0.000 -5.404) 6.241 ======================= Grid point 143 (78/87) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 3.526 0.000 -6.337) 7.252 1.113 ( -1.499 0.000 3.090) 3.434 1.199 ( 0.947 0.000 -1.153) 1.492 1.234 ( -0.245 0.000 -3.407) 3.416 1.527 ( -1.359 0.000 6.050) 6.201 1.614 ( 2.184 0.000 -5.956) 6.344 1.730 ( -1.145 0.000 1.666) 2.021 1.736 ( 3.328 0.000 -1.408) 3.613 1.851 ( -4.459 0.000 5.233) 6.875 1.901 ( -0.535 0.000 -5.397) 5.424 1.991 ( -1.015 0.000 2.400) 2.606 2.094 ( -1.653 0.000 4.531) 4.823 2.429 ( 1.627 0.000 -11.096) 11.215 2.520 ( -2.488 0.000 8.501) 8.858 2.569 ( -2.533 0.000 -1.394) 2.891 2.574 ( -2.542 0.000 -2.618) 3.649 3.038 ( 4.874 0.000 0.020) 4.874 3.322 ( -0.715 0.000 3.549) 3.620 3.433 ( -3.546 0.000 7.697) 8.474 3.434 ( 4.712 0.000 -7.483) 8.843 3.666 ( -1.740 0.000 13.693) 13.803 3.705 ( 2.283 0.000 -15.923) 16.085 3.834 ( -0.354 0.000 7.819) 7.827 3.884 ( 0.113 0.000 -4.551) 4.552 3.916 ( -2.396 0.000 6.510) 6.937 3.971 ( 2.658 0.000 -7.804) 8.244 4.024 ( 2.701 0.000 -11.717) 12.024 4.082 ( -2.466 0.000 10.399) 10.687 4.709 ( -0.947 0.000 2.888) 3.039 4.769 ( 0.628 0.000 -3.378) 3.435 5.313 ( -2.392 0.000 5.260) 5.778 5.326 ( 0.086 0.000 -6.248) 6.249 5.379 ( -0.334 0.000 4.029) 4.043 5.386 ( 0.495 0.000 0.539) 0.732 5.957 ( 2.995 0.000 -11.463) 11.847 5.972 ( -0.804 0.000 4.618) 4.688 6.081 ( -4.866 0.000 11.988) 12.938 6.272 ( -2.842 0.000 0.414) 2.872 6.509 ( 2.550 0.000 -4.418) 5.101 6.512 ( -0.333 0.000 2.395) 2.418 7.128 ( -2.340 0.000 -0.532) 2.400 7.190 ( -2.439 0.000 -0.348) 2.463 7.404 ( -1.119 0.000 -1.494) 1.867 7.448 ( 0.121 0.000 -4.029) 4.031 9.767 ( 0.440 0.000 -3.300) 3.329 9.790 ( -1.582 0.000 1.311) 2.055 9.825 ( -1.977 0.000 4.086) 4.539 9.860 ( -1.030 0.000 -3.187) 3.349 10.654 ( -2.694 0.000 6.603) 7.132 10.659 ( 1.679 0.000 -8.209) 8.379 10.818 ( -1.621 0.000 7.107) 7.289 10.894 ( -1.288 0.000 -2.747) 3.034 11.290 ( -1.102 0.000 3.803) 3.959 11.313 ( -0.316 0.000 -2.591) 2.611 11.376 ( 0.322 0.000 -0.440) 0.545 11.413 ( -0.537 0.000 -1.504) 1.597 11.647 ( -0.377 0.000 9.831) 9.839 11.684 ( 3.466 0.000 -8.039) 8.754 11.697 ( 0.024 0.000 5.168) 5.168 11.761 ( 2.385 0.000 -7.454) 7.827 ======================= Grid point 144 (79/87) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 4.844 0.000 -4.879) 6.876 1.083 ( -3.532 0.000 3.701) 5.116 1.210 ( -0.076 0.000 0.962) 0.965 1.213 ( 0.581 0.000 -3.993) 4.035 1.563 ( 2.024 0.000 4.492) 4.927 1.620 ( -0.316 0.000 -1.542) 1.574 1.697 ( -0.257 0.000 -3.617) 3.626 1.736 ( -3.721 0.000 1.341) 3.955 1.844 ( 2.101 0.000 0.558) 2.174 1.874 ( -0.775 0.000 -0.401) 0.872 2.026 ( 2.554 0.000 2.439) 3.531 2.078 ( -1.841 0.000 1.398) 2.311 2.405 ( 2.219 0.000 -8.201) 8.496 2.456 ( -5.744 0.000 5.005) 7.618 2.529 ( -0.515 0.000 -0.714) 0.880 2.536 ( -1.057 0.000 -0.159) 1.069 3.166 ( 6.121 0.000 2.037) 6.451 3.279 ( -4.125 0.000 -1.094) 4.268 3.447 ( -0.225 0.000 10.719) 10.722 3.485 ( 2.609 0.000 -7.370) 7.818 3.667 ( 3.760 0.000 -15.243) 15.700 3.686 ( -4.014 0.000 13.109) 13.709 3.846 ( -0.641 0.000 -3.056) 3.122 3.848 ( -1.901 0.000 2.924) 3.487 3.914 ( -0.757 0.000 9.767) 9.796 3.958 ( 0.853 0.000 -9.589) 9.627 4.045 ( 5.312 0.000 -12.754) 13.816 4.077 ( -4.064 0.000 11.233) 11.946 4.722 ( 0.196 0.000 4.392) 4.396 4.753 ( -0.239 0.000 -4.241) 4.248 5.300 ( -2.396 0.000 7.923) 8.277 5.304 ( 1.226 0.000 -6.948) 7.055 5.396 ( 0.603 0.000 -0.209) 0.638 5.396 ( 0.188 0.000 0.766) 0.789 5.967 ( 4.689 0.000 -13.553) 14.341 5.985 ( -3.671 0.000 12.998) 13.507 6.083 ( 1.523 0.000 5.214) 5.432 6.181 ( -5.303 0.000 -1.521) 5.517 6.507 ( -1.012 0.000 2.773) 2.952 6.512 ( 0.670 0.000 -4.644) 4.692 7.117 ( 0.909 0.000 0.348) 0.973 7.149 ( -1.698 0.000 -0.447) 1.756 7.392 ( 0.310 0.000 0.958) 1.007 7.419 ( -0.869 0.000 -3.190) 3.306 9.761 ( 0.720 0.000 -3.246) 3.325 9.766 ( -1.353 0.000 2.018) 2.430 9.817 ( -0.914 0.000 3.300) 3.424 9.827 ( -0.448 0.000 -2.626) 2.664 10.646 ( -1.877 0.000 7.037) 7.283 10.650 ( 1.675 0.000 -7.513) 7.698 10.828 ( -1.085 0.000 6.593) 6.681 10.852 ( -0.395 0.000 -5.313) 5.328 11.292 ( -0.473 0.000 2.573) 2.616 11.298 ( 0.078 0.000 -1.871) 1.872 11.381 ( 0.259 0.000 0.463) 0.530 11.393 ( -0.455 0.000 -1.497) 1.565 11.687 ( -1.367 0.000 10.344) 10.434 11.700 ( 2.762 0.000 -9.670) 10.057 11.730 ( -0.473 0.000 7.882) 7.896 11.756 ( 1.396 0.000 -8.352) 8.468 ======================= Grid point 148 (80/87) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 73 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -0.552 4.230 -8.289) 9.322 1.104 ( 0.552 4.230 8.289) 9.322 1.228 ( -1.677 1.616 -2.329) 3.294 1.228 ( 1.677 1.616 2.329) 3.294 1.591 ( 3.779 2.328 -8.665) 9.736 1.591 ( -3.779 2.328 8.665) 9.736 1.750 ( -0.029 -2.032 -7.104) 7.389 1.750 ( 0.029 -2.032 7.104) 7.389 1.976 ( 1.034 2.811 -5.905) 6.621 1.976 ( -1.034 2.811 5.905) 6.621 2.056 ( 0.807 3.508 -3.505) 5.024 2.056 ( -0.807 3.508 3.505) 5.024 2.443 ( 2.162 -0.105 -9.348) 9.596 2.443 ( -2.162 -0.105 9.348) 9.596 2.619 ( 0.175 -1.226 -1.756) 2.149 2.619 ( -0.175 -1.226 1.756) 2.149 3.230 ( -3.627 5.542 -8.448) 10.735 3.230 ( 3.627 5.542 8.448) 10.735 3.470 ( 0.741 1.639 -10.151) 10.309 3.470 ( -0.741 1.639 10.151) 10.309 3.676 ( 3.976 0.763 -11.037) 11.756 3.676 ( -3.976 0.763 11.037) 11.756 3.803 ( 0.141 -3.630 -3.797) 5.255 3.803 ( -0.141 -3.630 3.797) 5.255 3.893 ( 0.736 0.270 -1.479) 1.674 3.893 ( -0.736 0.270 1.479) 1.674 4.062 ( 1.871 -0.771 -5.535) 5.893 4.062 ( -1.871 -0.771 5.535) 5.893 4.811 ( 0.374 5.521 -0.577) 5.564 4.811 ( -0.374 5.521 0.577) 5.564 5.291 ( 0.430 -4.807 -3.486) 5.954 5.291 ( -0.430 -4.807 3.486) 5.954 5.447 ( 3.290 5.027 -10.032) 11.694 5.447 ( -3.290 5.027 10.032) 11.694 6.015 ( -1.408 -0.496 -5.125) 5.338 6.015 ( 1.408 -0.496 5.125) 5.338 6.144 ( -1.762 -1.339 -3.642) 4.262 6.144 ( 1.762 -1.339 3.642) 4.262 6.446 ( -0.067 -1.768 -2.728) 3.252 6.446 ( 0.067 -1.768 2.728) 3.252 7.275 ( -1.474 -0.040 -0.259) 1.497 7.275 ( 1.474 -0.040 0.259) 1.497 7.400 ( 0.468 -3.875 -2.019) 4.394 7.400 ( -0.468 -3.875 2.019) 4.394 9.802 ( 0.263 1.025 -2.774) 2.969 9.802 ( -0.263 1.025 2.774) 2.969 9.880 ( 1.839 -0.731 -3.871) 4.348 9.880 ( -1.839 -0.731 3.871) 4.348 10.674 ( 1.543 -0.972 -7.188) 7.416 10.674 ( -1.543 -0.972 7.188) 7.416 10.848 ( 2.206 -1.283 -1.554) 2.988 10.848 ( -2.206 -1.283 1.554) 2.988 11.341 ( 0.982 1.869 -2.522) 3.289 11.341 ( -0.982 1.869 2.522) 3.289 11.405 ( -0.716 -0.150 -2.967) 3.055 11.405 ( 0.716 -0.150 2.967) 3.055 11.628 ( 2.467 0.450 -4.693) 5.320 11.628 ( -2.467 0.450 4.693) 5.320 11.703 ( 2.212 0.049 -2.322) 3.207 11.703 ( -2.212 0.049 2.322) 3.207 ======================= Grid point 150 (81/87) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.177 6.543 -8.833) 10.994 1.143 ( -0.994 2.900 5.293) 6.116 1.188 ( -0.357 -0.302 -2.359) 2.404 1.264 ( 0.814 2.839 0.571) 3.008 1.554 ( -3.842 0.175 7.249) 8.206 1.606 ( 1.869 2.579 -9.771) 10.277 1.712 ( 0.354 -3.117 -4.721) 5.668 1.763 ( -2.005 -2.013 5.719) 6.386 1.951 ( -2.026 -1.778 -0.436) 2.731 1.965 ( -2.089 8.937 3.138) 9.700 2.045 ( -0.468 2.388 2.157) 3.252 2.079 ( 0.380 3.817 0.333) 3.850 2.438 ( 2.046 -0.299 -5.934) 6.284 2.487 ( 1.459 0.130 5.337) 5.534 2.595 ( -1.553 -2.032 -2.286) 3.430 2.621 ( -0.365 -0.744 0.699) 1.084 3.119 ( -2.164 8.024 -7.322) 11.076 3.322 ( 1.148 3.614 6.784) 7.771 3.446 ( 1.858 2.618 -7.041) 7.738 3.502 ( -1.836 2.969 8.905) 9.565 3.659 ( -2.160 1.329 5.870) 6.395 3.694 ( 3.174 -1.624 -8.832) 9.524 3.785 ( -0.776 -2.994 0.494) 3.132 3.822 ( -0.869 -3.593 5.611) 6.720 3.891 ( 2.308 -0.719 -2.579) 3.535 3.939 ( 2.776 -0.854 -1.775) 3.404 4.050 ( -0.313 -0.021 0.585) 0.664 4.081 ( 0.588 0.349 -0.404) 0.794 4.780 ( -1.561 5.421 0.712) 5.686 4.834 ( 0.975 5.959 -1.442) 6.208 5.260 ( -1.275 -4.762 -0.303) 4.939 5.303 ( -0.429 -4.992 0.166) 5.014 5.429 ( -3.737 4.227 10.020) 11.499 5.454 ( 2.373 5.953 -7.719) 10.033 5.952 ( -2.327 -1.983 -3.096) 4.351 6.055 ( -1.998 -4.300 8.612) 9.831 6.069 ( -0.538 4.936 -5.420) 7.350 6.229 ( 2.329 -2.317 3.192) 4.581 6.427 ( -0.013 -3.380 -0.660) 3.444 6.489 ( 1.998 -1.403 0.426) 2.479 7.200 ( -4.516 -0.639 -0.660) 4.608 7.255 ( -3.021 0.378 0.032) 3.045 7.385 ( -0.020 -4.049 -2.035) 4.532 7.427 ( 1.353 -2.672 -2.447) 3.868 9.789 ( 0.054 1.030 -2.809) 2.992 9.807 ( -0.682 0.709 2.270) 2.474 9.852 ( -2.673 -0.376 3.473) 4.399 9.880 ( 0.217 -0.895 -3.761) 3.872 10.653 ( -0.377 -0.859 -1.972) 2.184 10.685 ( -0.081 -0.188 0.405) 0.454 10.813 ( -2.267 -0.548 4.674) 5.224 10.879 ( 0.799 -2.467 -0.788) 2.710 11.311 ( -1.896 1.151 2.280) 3.181 11.353 ( -0.665 1.420 -2.293) 2.778 11.380 ( 0.155 0.450 -0.144) 0.497 11.425 ( -0.054 0.091 1.026) 1.032 11.618 ( -1.280 0.380 6.382) 6.520 11.652 ( 1.461 -0.277 -1.862) 2.383 11.692 ( 0.919 0.908 -1.247) 1.796 11.739 ( 3.026 -0.188 -5.166) 5.989 ======================= Grid point 151 (82/87) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 2.649 6.529 -8.306) 10.892 1.136 ( -1.456 1.017 3.290) 3.738 1.195 ( 1.399 0.258 -0.669) 1.572 1.263 ( -0.666 3.933 -1.450) 4.244 1.518 ( -2.967 -2.079 5.986) 6.997 1.580 ( 1.579 -2.126 -9.209) 9.582 1.693 ( -1.439 -4.360 -2.949) 5.457 1.743 ( -3.164 -2.498 4.999) 6.422 1.926 ( -0.641 0.470 6.000) 6.052 1.947 ( -0.152 7.794 -0.552) 7.815 2.027 ( -2.228 6.984 1.075) 7.410 2.086 ( 0.299 0.643 0.232) 0.746 2.443 ( 2.412 1.112 -9.098) 9.478 2.528 ( -1.049 -0.327 5.925) 6.026 2.543 ( -1.749 -1.971 -2.386) 3.555 2.604 ( -2.092 1.482 0.747) 2.671 3.112 ( 4.395 7.573 -2.275) 9.047 3.359 ( -0.541 3.124 6.472) 7.207 3.459 ( 1.646 2.932 -4.914) 5.954 3.490 ( -1.678 4.396 3.340) 5.770 3.661 ( -0.313 -2.351 2.067) 3.147 3.699 ( 0.444 0.308 -3.169) 3.215 3.775 ( -0.560 -3.835 1.327) 4.096 3.827 ( -1.535 -3.272 3.572) 5.082 3.928 ( 2.101 0.309 -1.094) 2.388 3.984 ( 2.133 -0.805 -0.549) 2.346 4.041 ( 1.521 1.611 -7.587) 7.904 4.086 ( -0.969 0.813 3.704) 3.915 4.763 ( -0.684 5.451 1.978) 5.839 4.832 ( -0.067 5.673 -2.466) 6.186 5.244 ( -0.497 -4.748 0.913) 4.861 5.283 ( -1.093 -4.426 -0.683) 4.610 5.416 ( -2.460 3.748 8.890) 9.957 5.461 ( 1.887 5.536 -6.197) 8.521 5.907 ( -1.035 -3.345 0.370) 3.521 6.012 ( -2.482 -2.475 0.595) 3.555 6.081 ( 0.979 4.012 0.189) 4.134 6.243 ( -2.844 -1.842 4.034) 5.269 6.434 ( 0.591 -5.013 -0.212) 5.052 6.510 ( -0.019 -2.446 -1.554) 2.899 7.128 ( -1.748 0.141 -0.557) 1.840 7.197 ( -2.208 0.441 -0.427) 2.292 7.365 ( -0.608 -3.137 -1.824) 3.680 7.423 ( -0.250 -2.428 -2.960) 3.837 9.776 ( 0.271 0.797 -3.240) 3.348 9.794 ( -1.677 0.375 1.585) 2.338 9.823 ( -1.908 -0.143 3.666) 4.136 9.852 ( -0.916 -0.777 -3.212) 3.429 10.643 ( -0.146 -0.172 0.128) 0.259 10.676 ( -0.200 0.727 -1.852) 2.000 10.807 ( -1.600 -0.958 6.347) 6.615 10.867 ( -0.833 -2.310 -2.624) 3.594 11.294 ( -1.077 0.463 2.426) 2.695 11.319 ( -0.976 0.289 -1.952) 2.201 11.387 ( 0.087 1.120 0.586) 1.267 11.417 ( -0.569 0.319 -0.909) 1.119 11.646 ( -0.147 -0.081 7.984) 7.986 11.672 ( 1.113 -0.740 0.182) 1.349 11.715 ( 1.901 1.220 -1.968) 2.996 11.760 ( 2.270 -0.143 -6.741) 7.115 ======================= Grid point 152 (83/87) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 4.701 4.505 -6.352) 9.096 1.118 ( -2.974 2.011 4.523) 5.775 1.214 ( 0.051 1.259 1.424) 1.901 1.230 ( -0.833 3.425 -3.088) 4.686 1.525 ( 0.942 -5.622 4.981) 7.570 1.578 ( 0.943 -9.230 -6.726) 11.459 1.634 ( -0.553 0.305 -2.339) 2.422 1.683 ( -4.837 -1.932 3.668) 6.370 1.952 ( 0.741 6.959 0.428) 7.011 1.978 ( -1.193 1.100 1.159) 1.994 2.001 ( 2.252 4.551 4.813) 6.997 2.075 ( -1.324 0.731 -3.090) 3.441 2.454 ( 3.897 3.615 -7.560) 9.241 2.508 ( -4.176 2.106 6.268) 7.820 2.522 ( 0.725 -0.522 -1.230) 1.520 2.553 ( -2.517 2.093 -0.171) 3.277 3.232 ( 6.799 6.414 0.476) 9.359 3.346 ( -4.039 5.791 1.192) 7.160 3.458 ( -0.577 1.308 8.103) 8.228 3.493 ( 1.323 0.711 -7.226) 7.380 3.653 ( 1.575 -2.608 -5.836) 6.583 3.680 ( -2.996 -1.355 4.445) 5.530 3.779 ( 0.844 -2.412 0.046) 2.556 3.805 ( -1.796 -0.921 1.516) 2.524 3.964 ( 0.578 2.317 5.658) 6.142 3.999 ( 0.790 1.361 -5.583) 5.800 4.050 ( 3.648 0.645 -9.070) 9.797 4.074 ( -2.944 0.222 6.734) 7.353 4.775 ( 0.390 5.084 3.251) 6.047 4.807 ( -0.764 4.983 -3.315) 6.033 5.247 ( -0.034 -4.281 1.840) 4.660 5.261 ( -0.516 -3.994 -1.494) 4.295 5.429 ( -0.758 3.541 7.541) 8.366 5.455 ( 0.869 4.322 -6.645) 7.974 5.920 ( 1.362 -3.792 2.102) 4.544 5.966 ( -2.248 -3.061 -0.580) 3.842 6.114 ( 2.945 3.038 -1.612) 4.528 6.181 ( -4.687 0.327 3.102) 5.630 6.443 ( 0.469 -5.208 1.242) 5.375 6.476 ( -1.465 -4.113 -3.019) 5.308 7.127 ( 1.247 0.957 0.347) 1.609 7.160 ( -1.590 1.035 -0.428) 1.944 7.359 ( 0.652 -2.871 0.461) 2.980 7.390 ( -1.293 -2.633 -2.445) 3.819 9.767 ( 0.513 0.563 -2.692) 2.798 9.772 ( -1.191 0.523 1.634) 2.089 9.813 ( -1.015 -0.387 3.204) 3.383 9.821 ( -0.321 -0.564 -2.746) 2.821 10.648 ( 0.081 0.456 1.787) 1.846 10.662 ( -0.111 0.803 -2.387) 2.521 10.813 ( -0.980 -1.263 5.784) 6.001 10.833 ( -0.261 -1.612 -4.544) 4.828 11.292 ( -0.296 0.048 1.594) 1.622 11.299 ( -0.271 0.020 -1.186) 1.217 11.391 ( 0.031 0.832 0.764) 1.130 11.400 ( -0.373 0.561 -1.249) 1.419 11.682 ( -0.655 -0.409 7.259) 7.300 11.691 ( 1.296 -0.650 -3.231) 3.541 11.739 ( 0.411 0.691 2.533) 2.658 11.758 ( 1.106 0.109 -6.411) 6.507 ======================= Grid point 156 (84/87) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 73 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -0.145 0.773 -2.477) 2.599 1.158 ( 0.145 0.773 2.477) 2.599 1.320 ( 0.922 5.869 -3.022) 6.666 1.320 ( -0.922 5.869 3.022) 6.666 1.608 ( -0.389 -2.581 -1.150) 2.852 1.608 ( 0.389 -2.581 1.150) 2.852 1.690 ( 0.664 -0.334 -8.811) 8.842 1.690 ( -0.664 -0.334 8.811) 8.842 1.927 ( -0.820 -3.173 -2.295) 4.001 1.927 ( 0.820 -3.173 2.295) 4.001 2.256 ( 1.104 9.809 -4.976) 11.054 2.256 ( -1.104 9.809 4.976) 11.054 2.417 ( 1.660 -2.909 -7.297) 8.029 2.417 ( -1.660 -2.909 7.297) 8.029 2.588 ( 0.102 -1.420 -1.554) 2.108 2.588 ( -0.102 -1.420 1.554) 2.108 3.350 ( -1.017 5.355 -6.954) 8.836 3.350 ( 1.017 5.355 6.954) 8.836 3.482 ( -0.422 -1.266 -2.426) 2.769 3.482 ( 0.422 -1.266 2.426) 2.769 3.682 ( 0.671 -0.476 -7.271) 7.318 3.682 ( -0.671 -0.476 7.271) 7.318 3.754 ( 1.095 -0.490 -2.697) 2.952 3.754 ( -1.095 -0.490 2.697) 2.952 3.888 ( 0.501 -0.466 -0.957) 1.176 3.888 ( -0.501 -0.466 0.957) 1.176 4.049 ( 1.031 -0.372 -2.190) 2.449 4.049 ( -1.031 -0.372 2.190) 2.449 4.959 ( -0.860 8.132 -0.352) 8.185 4.959 ( 0.860 8.132 0.352) 8.185 5.166 ( 0.916 -7.151 -1.335) 7.332 5.166 ( -0.916 -7.151 1.335) 7.332 5.578 ( 3.178 7.008 -7.538) 10.772 5.578 ( -3.178 7.008 7.538) 10.772 5.884 ( 2.237 -8.443 -5.698) 10.429 5.884 ( -2.237 -8.443 5.698) 10.429 6.233 ( 0.355 6.934 -5.005) 8.559 6.233 ( -0.355 6.934 5.005) 8.559 6.381 ( 0.184 -4.725 -3.040) 5.622 6.381 ( -0.184 -4.725 3.040) 5.622 7.280 ( -2.847 0.697 -0.113) 2.934 7.280 ( 2.847 0.697 0.113) 2.934 7.319 ( -1.882 -3.377 -0.767) 3.941 7.319 ( 1.882 -3.377 0.767) 3.941 9.828 ( 0.713 1.485 -3.166) 3.569 9.828 ( -0.713 1.485 3.166) 3.569 9.859 ( 1.309 -1.306 -3.585) 4.034 9.859 ( -1.309 -1.306 3.585) 4.034 10.655 ( 0.481 -0.621 -2.618) 2.733 10.655 ( -0.481 -0.621 2.618) 2.733 10.827 ( 0.905 -0.578 -0.836) 1.361 10.827 ( -0.905 -0.578 0.836) 1.361 11.377 ( -0.443 1.365 -3.382) 3.674 11.377 ( 0.443 1.365 3.382) 3.674 11.399 ( -0.477 -0.510 -3.932) 3.993 11.399 ( 0.477 -0.510 3.932) 3.993 11.637 ( 1.067 0.290 -1.826) 2.135 11.637 ( -1.067 0.290 1.826) 2.135 11.704 ( 0.961 0.032 -0.959) 1.358 11.704 ( -0.961 0.032 0.959) 1.358 ======================= Grid point 158 (85/87) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 1.355 2.428 -5.941) 6.559 1.171 ( 1.198 -0.672 -2.149) 2.550 1.269 ( -3.683 7.934 2.596) 9.124 1.342 ( -0.041 2.642 1.178) 2.894 1.538 ( -4.349 -1.420 -0.424) 4.594 1.592 ( -2.187 -5.959 -6.350) 8.979 1.670 ( 0.870 2.643 -2.148) 3.515 1.718 ( -1.041 -1.324 5.657) 5.902 1.894 ( -1.932 -0.999 1.070) 2.424 1.954 ( -0.046 -5.424 3.837) 6.644 2.207 ( -2.500 10.962 1.357) 11.325 2.281 ( 0.055 7.599 -0.532) 7.618 2.415 ( 1.776 -2.032 -2.414) 3.621 2.457 ( 1.828 -3.235 0.668) 3.775 2.562 ( -1.445 -0.410 -1.021) 1.816 2.587 ( -0.523 -2.318 1.045) 2.596 3.303 ( 0.503 9.202 -7.485) 11.873 3.418 ( 2.010 4.104 5.085) 6.837 3.465 ( -0.429 -2.106 -1.664) 2.718 3.512 ( 0.813 -2.102 2.546) 3.400 3.657 ( -1.068 0.974 -0.459) 1.516 3.693 ( -1.949 -1.266 5.545) 6.012 3.748 ( 0.103 0.121 1.253) 1.263 3.763 ( 1.454 -1.554 -3.414) 4.022 3.880 ( 0.731 0.156 0.449) 0.872 3.906 ( 1.092 -2.005 0.170) 2.290 4.061 ( 1.491 0.955 -0.561) 1.857 4.079 ( 2.183 -0.618 -2.206) 3.164 4.931 ( -1.344 8.630 0.023) 8.735 4.974 ( 0.244 6.675 -0.615) 6.708 5.146 ( -1.299 -6.028 1.847) 6.437 5.175 ( 0.181 -7.060 -0.592) 7.087 5.549 ( -3.371 7.098 6.530) 10.217 5.588 ( 1.876 5.807 -7.471) 9.647 5.845 ( -3.250 -6.019 4.498) 8.187 5.898 ( 0.457 -8.825 -1.631) 8.986 6.216 ( 0.233 6.937 -3.064) 7.587 6.271 ( 0.469 6.579 4.030) 7.729 6.340 ( -1.779 -5.220 0.278) 5.522 6.415 ( 1.166 -5.956 0.113) 6.070 7.198 ( -3.874 0.897 -0.801) 4.057 7.240 ( -3.609 -2.491 -0.752) 4.449 7.328 ( 1.352 -0.066 -1.403) 1.949 7.365 ( 1.478 -2.978 -1.324) 3.579 9.815 ( -0.474 1.385 -1.614) 2.179 9.825 ( -1.089 0.924 1.346) 1.962 9.841 ( -1.697 -0.602 2.179) 2.827 9.856 ( 0.016 -1.424 -2.881) 3.214 10.648 ( 0.181 0.425 -1.017) 1.117 10.668 ( 0.620 -1.277 -0.098) 1.423 10.811 ( -1.437 0.489 2.269) 2.730 10.834 ( -0.104 -1.774 -0.086) 1.779 11.337 ( -1.789 1.203 -0.480) 2.209 11.356 ( -1.598 -0.665 -2.249) 2.837 11.406 ( 0.154 1.375 2.525) 2.879 11.423 ( -0.113 -0.378 2.317) 2.351 11.629 ( -1.063 0.680 4.548) 4.720 11.642 ( -0.343 -0.622 2.294) 2.402 11.713 ( 2.333 1.099 -3.967) 4.731 11.731 ( 2.785 -0.629 -4.696) 5.496 ======================= Grid point 159 (86/87) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 2.831 3.241 -6.270) 7.605 1.196 ( 2.892 -0.739 -2.927) 4.181 1.211 ( -3.054 8.394 1.894) 9.130 1.339 ( -1.193 -0.027 2.751) 2.998 1.440 ( -4.847 -2.667 -0.482) 5.553 1.495 ( -3.489 -5.485 -6.736) 9.362 1.667 ( -0.112 1.987 -1.844) 2.713 1.714 ( -1.970 -1.024 4.153) 4.709 1.870 ( -1.278 -0.457 2.877) 3.181 1.956 ( -2.060 -6.498 3.813) 7.811 2.181 ( -1.257 10.297 2.384) 10.644 2.259 ( -1.629 5.875 -1.231) 6.220 2.446 ( 3.133 -0.862 -4.511) 5.560 2.477 ( 1.439 -2.433 -3.786) 4.725 2.542 ( -0.716 1.047 1.969) 2.342 2.588 ( -0.821 -2.808 3.242) 4.367 3.304 ( 3.596 9.975 -5.846) 12.108 3.433 ( -1.920 2.321 4.763) 5.636 3.484 ( 2.544 -1.447 -3.397) 4.484 3.531 ( -0.044 -2.595 0.970) 2.771 3.616 ( -3.027 1.713 1.747) 3.892 3.666 ( -3.173 -3.440 3.003) 5.560 3.770 ( 2.146 2.554 -0.737) 3.416 3.797 ( 1.409 -0.250 3.493) 3.775 3.924 ( 2.826 -0.083 1.034) 3.011 3.948 ( 2.688 -2.122 0.483) 3.458 4.077 ( 1.135 1.657 -4.142) 4.604 4.097 ( 0.718 -0.176 -2.081) 2.208 4.908 ( -1.045 7.871 0.605) 7.963 4.958 ( -1.225 5.108 -1.615) 5.495 5.140 ( -0.493 -4.743 2.510) 5.389 5.170 ( -0.243 -6.031 -0.577) 6.064 5.522 ( -2.314 6.281 5.456) 8.636 5.574 ( 0.553 3.803 -6.757) 7.774 5.820 ( -1.761 -3.230 5.756) 6.831 5.891 ( -0.429 -7.718 -1.037) 7.799 6.200 ( 0.057 5.650 -3.629) 6.715 6.257 ( -3.431 2.935 3.645) 5.803 6.333 ( -0.208 -3.423 1.703) 3.829 6.416 ( -0.926 -6.512 -1.843) 6.831 7.144 ( -0.784 1.624 -0.660) 1.920 7.186 ( -1.118 -1.901 -0.712) 2.317 7.325 ( -0.552 0.165 -1.495) 1.602 7.364 ( -0.602 -2.980 -1.751) 3.508 9.796 ( -0.366 1.011 -2.191) 2.440 9.802 ( -1.754 0.315 1.834) 2.557 9.820 ( -1.525 -0.063 1.803) 2.362 9.832 ( -0.707 -1.111 -2.822) 3.114 10.652 ( 0.557 1.050 -0.411) 1.258 10.675 ( 0.418 -0.913 -0.980) 1.403 10.797 ( -1.410 0.343 3.058) 3.385 10.821 ( -0.882 -1.949 -0.556) 2.210 11.306 ( -1.208 0.643 0.572) 1.483 11.318 ( -1.247 -0.409 -0.985) 1.640 11.411 ( -0.493 0.969 1.256) 1.661 11.421 ( -0.639 -0.043 0.378) 0.743 11.648 ( 0.015 0.318 5.557) 5.566 11.658 ( 0.250 -0.648 3.480) 3.548 11.738 ( 2.142 1.013 -4.196) 4.819 11.754 ( 2.126 -0.538 -5.445) 5.870 ======================= Grid point 160 (87/87) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -0.344 4.165 2.545) 4.893 1.181 ( 0.948 6.489 -5.140) 8.333 1.252 ( 3.828 0.722 -1.590) 4.208 1.316 ( -2.992 1.529 2.141) 3.984 1.371 ( -1.474 -6.510 1.759) 6.903 1.400 ( -2.459 -6.160 -4.364) 7.940 1.661 ( 1.300 2.418 -3.141) 4.171 1.686 ( -2.715 1.049 3.690) 4.700 1.880 ( 1.208 -3.836 0.894) 4.120 1.920 ( -2.802 -5.973 2.105) 6.925 2.179 ( -0.013 7.784 2.283) 8.112 2.211 ( -1.921 5.677 -1.899) 6.287 2.497 ( 4.014 0.105 -4.962) 6.383 2.498 ( 2.454 -0.586 -2.819) 3.783 2.537 ( -0.909 1.265 1.930) 2.480 2.569 ( -3.320 -1.349 4.310) 5.605 3.378 ( 5.865 6.589 -4.251) 9.792 3.435 ( -1.347 1.868 5.259) 5.742 3.494 ( -0.611 0.386 0.902) 1.156 3.507 ( -1.334 0.473 -3.660) 3.924 3.584 ( -0.403 -1.885 1.217) 2.279 3.612 ( -2.662 -3.505 0.440) 4.423 3.813 ( 2.027 3.474 -0.348) 4.037 3.830 ( -0.249 1.837 2.821) 3.376 3.980 ( 1.158 -0.118 3.652) 3.833 3.993 ( 1.494 -1.258 -1.362) 2.381 4.072 ( 0.962 1.275 -3.811) 4.132 4.085 ( -0.835 0.166 -1.049) 1.351 4.901 ( -0.107 6.214 1.362) 6.362 4.921 ( -1.168 4.906 -1.872) 5.379 5.150 ( 0.061 -4.421 2.201) 4.939 5.162 ( -0.151 -5.017 -1.279) 5.180 5.520 ( -0.782 4.694 5.310) 7.130 5.544 ( 0.056 3.283 -5.850) 6.708 5.837 ( 0.236 -3.042 5.271) 6.091 5.870 ( -0.700 -5.372 -2.617) 6.017 6.189 ( 1.115 3.681 -3.951) 5.514 6.209 ( -2.974 2.184 3.849) 5.331 6.336 ( -0.136 -3.967 2.527) 4.705 6.369 ( -1.654 -5.620 -3.500) 6.824 7.155 ( 1.446 1.731 0.289) 2.274 7.178 ( -0.300 0.076 -0.141) 0.340 7.309 ( -0.007 -1.153 -0.362) 1.208 7.331 ( -1.528 -2.765 -1.396) 3.454 9.781 ( -0.116 0.784 -0.784) 1.115 9.784 ( -0.647 0.627 0.381) 0.978 9.803 ( -1.097 -0.537 2.231) 2.544 9.807 ( -0.180 -0.790 -2.499) 2.627 10.663 ( 0.490 0.894 0.419) 1.102 10.673 ( -0.083 0.104 -1.038) 1.047 10.791 ( -0.652 -0.554 2.613) 2.749 10.800 ( -0.465 -1.372 -1.577) 2.141 11.295 ( -0.327 0.162 0.562) 0.670 11.298 ( -0.408 -0.130 -0.387) 0.577 11.407 ( -0.267 0.557 0.529) 0.813 11.410 ( -0.320 0.254 -0.424) 0.589 11.676 ( 0.002 -0.078 3.734) 3.735 11.679 ( 0.343 -0.407 1.220) 1.331 11.751 ( 0.753 0.460 -1.268) 1.545 11.758 ( 0.803 -0.146 -3.604) 3.695 =================== 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 3/16800 10.0 29.248 25.052 54.491 0.000 -6.476 0.000 3/16800 20.0 7.584 7.382 17.751 0.000 -3.062 0.000 3/16800 30.0 3.869 4.178 9.926 0.000 -1.857 0.000 3/16800 40.0 2.544 2.899 6.959 0.000 -1.342 0.000 3/16800 50.0 1.890 2.227 5.409 0.000 -1.058 0.000 3/16800 60.0 1.506 1.817 4.445 0.000 -0.875 0.000 3/16800 70.0 1.255 1.540 3.787 0.000 -0.749 0.000 3/16800 80.0 1.079 1.341 3.308 0.000 -0.656 0.000 3/16800 90.0 0.949 1.190 2.946 0.000 -0.585 0.000 3/16800 100.0 0.849 1.072 2.663 0.000 -0.530 0.000 3/16800 110.0 0.770 0.976 2.435 0.000 -0.485 0.000 3/16800 120.0 0.706 0.897 2.249 0.000 -0.449 0.000 3/16800 130.0 0.652 0.831 2.092 0.000 -0.418 0.000 3/16800 140.0 0.607 0.774 1.959 0.000 -0.392 0.000 3/16800 150.0 0.569 0.724 1.843 0.000 -0.369 0.000 3/16800 160.0 0.535 0.681 1.742 0.000 -0.349 0.000 3/16800 170.0 0.506 0.643 1.653 0.000 -0.332 0.000 3/16800 180.0 0.479 0.609 1.573 0.000 -0.316 0.000 3/16800 190.0 0.456 0.579 1.501 0.000 -0.302 0.000 3/16800 200.0 0.435 0.551 1.435 0.000 -0.289 0.000 3/16800 210.0 0.416 0.526 1.376 0.000 -0.277 0.000 3/16800 220.0 0.398 0.503 1.321 0.000 -0.266 0.000 3/16800 230.0 0.382 0.483 1.271 0.000 -0.257 0.000 3/16800 240.0 0.368 0.463 1.225 0.000 -0.247 0.000 3/16800 250.0 0.354 0.446 1.181 0.000 -0.239 0.000 3/16800 260.0 0.341 0.429 1.141 0.000 -0.231 0.000 3/16800 270.0 0.330 0.414 1.104 0.000 -0.223 0.000 3/16800 280.0 0.319 0.400 1.069 0.000 -0.216 0.000 3/16800 290.0 0.309 0.387 1.036 0.000 -0.210 0.000 3/16800 300.0 0.299 0.374 1.005 0.000 -0.204 0.000 3/16800 310.0 0.290 0.363 0.976 0.000 -0.198 0.000 3/16800 320.0 0.282 0.352 0.948 0.000 -0.192 0.000 3/16800 330.0 0.274 0.342 0.922 0.000 -0.187 0.000 3/16800 340.0 0.266 0.332 0.898 0.000 -0.182 0.000 3/16800 350.0 0.259 0.323 0.874 0.000 -0.178 0.000 3/16800 360.0 0.252 0.314 0.852 0.000 -0.173 0.000 3/16800 370.0 0.246 0.306 0.831 0.000 -0.169 0.000 3/16800 380.0 0.240 0.298 0.811 0.000 -0.165 0.000 3/16800 390.0 0.234 0.291 0.792 0.000 -0.161 0.000 3/16800 400.0 0.228 0.284 0.774 0.000 -0.157 0.000 3/16800 410.0 0.223 0.277 0.756 0.000 -0.154 0.000 3/16800 420.0 0.218 0.271 0.740 0.000 -0.150 0.000 3/16800 430.0 0.213 0.264 0.724 0.000 -0.147 0.000 3/16800 440.0 0.208 0.259 0.708 0.000 -0.144 0.000 3/16800 450.0 0.204 0.253 0.694 0.000 -0.141 0.000 3/16800 460.0 0.200 0.248 0.680 0.000 -0.138 0.000 3/16800 470.0 0.196 0.243 0.666 0.000 -0.136 0.000 3/16800 480.0 0.192 0.238 0.653 0.000 -0.133 0.000 3/16800 490.0 0.188 0.233 0.641 0.000 -0.130 0.000 3/16800 500.0 0.185 0.228 0.629 0.000 -0.128 0.000 3/16800 510.0 0.181 0.224 0.617 0.000 -0.126 0.000 3/16800 520.0 0.178 0.220 0.606 0.000 -0.123 0.000 3/16800 530.0 0.174 0.216 0.595 0.000 -0.121 0.000 3/16800 540.0 0.171 0.212 0.585 0.000 -0.119 0.000 3/16800 550.0 0.168 0.208 0.575 0.000 -0.117 0.000 3/16800 560.0 0.165 0.204 0.565 0.000 -0.115 0.000 3/16800 570.0 0.163 0.201 0.555 0.000 -0.113 0.000 3/16800 580.0 0.160 0.198 0.546 0.000 -0.111 0.000 3/16800 590.0 0.157 0.194 0.538 0.000 -0.110 0.000 3/16800 600.0 0.155 0.191 0.529 0.000 -0.108 0.000 3/16800 610.0 0.152 0.188 0.521 0.000 -0.106 0.000 3/16800 620.0 0.150 0.185 0.513 0.000 -0.105 0.000 3/16800 630.0 0.148 0.182 0.505 0.000 -0.103 0.000 3/16800 640.0 0.145 0.179 0.497 0.000 -0.102 0.000 3/16800 650.0 0.143 0.177 0.490 0.000 -0.100 0.000 3/16800 660.0 0.141 0.174 0.483 0.000 -0.099 0.000 3/16800 670.0 0.139 0.171 0.476 0.000 -0.097 0.000 3/16800 680.0 0.137 0.169 0.469 0.000 -0.096 0.000 3/16800 690.0 0.135 0.167 0.463 0.000 -0.095 0.000 3/16800 700.0 0.133 0.164 0.457 0.000 -0.093 0.000 3/16800 710.0 0.131 0.162 0.450 0.000 -0.092 0.000 3/16800 720.0 0.130 0.160 0.444 0.000 -0.091 0.000 3/16800 730.0 0.128 0.158 0.439 0.000 -0.090 0.000 3/16800 740.0 0.126 0.156 0.433 0.000 -0.088 0.000 3/16800 750.0 0.125 0.153 0.427 0.000 -0.087 0.000 3/16800 760.0 0.123 0.151 0.422 0.000 -0.086 0.000 3/16800 770.0 0.122 0.150 0.417 0.000 -0.085 0.000 3/16800 780.0 0.120 0.148 0.411 0.000 -0.084 0.000 3/16800 790.0 0.119 0.146 0.406 0.000 -0.083 0.000 3/16800 800.0 0.117 0.144 0.402 0.000 -0.082 0.000 3/16800 810.0 0.116 0.142 0.397 0.000 -0.081 0.000 3/16800 820.0 0.114 0.141 0.392 0.000 -0.080 0.000 3/16800 830.0 0.113 0.139 0.388 0.000 -0.079 0.000 3/16800 840.0 0.112 0.137 0.383 0.000 -0.078 0.000 3/16800 850.0 0.110 0.136 0.379 0.000 -0.077 0.000 3/16800 860.0 0.109 0.134 0.374 0.000 -0.077 0.000 3/16800 870.0 0.108 0.133 0.370 0.000 -0.076 0.000 3/16800 880.0 0.107 0.131 0.366 0.000 -0.075 0.000 3/16800 890.0 0.105 0.130 0.362 0.000 -0.074 0.000 3/16800 900.0 0.104 0.128 0.358 0.000 -0.073 0.000 3/16800 910.0 0.103 0.127 0.354 0.000 -0.072 0.000 3/16800 920.0 0.102 0.125 0.351 0.000 -0.072 0.000 3/16800 930.0 0.101 0.124 0.347 0.000 -0.071 0.000 3/16800 940.0 0.100 0.123 0.343 0.000 -0.070 0.000 3/16800 950.0 0.099 0.122 0.340 0.000 -0.070 0.000 3/16800 960.0 0.098 0.120 0.337 0.000 -0.069 0.000 3/16800 970.0 0.097 0.119 0.333 0.000 -0.068 0.000 3/16800 980.0 0.096 0.118 0.330 0.000 -0.067 0.000 3/16800 990.0 0.095 0.117 0.327 0.000 -0.067 0.000 3/16800 1000.0 0.094 0.116 0.323 0.000 -0.066 0.000 3/16800 Thermal conductivity related properties were written into "kappa-m758.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:42:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|